A0A5K4ERY2_SCHMA Loading...

LIM zinc-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ERY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 508 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
1M36.6Very low50.8Low228 Ų228142.7 Ų142.7100%1.12369%0.694SS**  087.70-53.7-57.6166.500104
2D43Very low51.5Low151 Ų151142.1 Ų142.181%0.80769%0.688SS**  -139.9127.561.1-58.2-43.6000111.6Y4D2-Y4 PolarHBondContact O-N 3.1Å; D2-Y4 VanDerWaalsContact O-N 3.09Å
3S43.6Very low51.7Low103 Ų103139.3 Ų139.372%0.7268%0.678SS**  trans-71.296.8165.9165.10000107.3N5S3-N5 PolarHBondContact O-N 3.04Å
4Y43.4Very low51.9Low219 Ų219139 Ų13986%0.85968%0.675SS**  trans-60.7102.6172.5-131.3-94000108.2D2 E6D2-Y4 PolarHBondContact O-N 3.1Å; D2-Y4 VanDerWaalsContact O-N 3.09Å; Y4-E6 PolarHBondContact O-N 3.36Å
5N47.4Very low52.3Low104 Ų104137.4 Ų137.456%0.55667%0.669SS**  trans-81.1112.4-178.1-104.4-24.8000108.9S3 H7 D8S3-N5 PolarHBondContact O-N 3.04Å; N5-H7 PolarHBondContact O-N 2.8Å; N5-D8 PolarHBondContact O-N 2.84Å; N5-D8 VanDerWaalsContact O-N 3.17Å
6E51.2Low52.4Low170 Ų170134.9 Ų134.979%0.79466%0.658SS**THydrogen-bonded Turntrans-54.8-11.9171.2-74.8179.1151.300113.7Y4 D8Y4-E6 PolarHBondContact O-N 3.36Å; E6-D8 VanDerWaalsContact C-N 3.31Å; E6-D8 PolarHBondContact O-N 3.04Å
7H55.9Low52.5Low125 Ų125132.9 Ų132.958%0.57965%0.65SS**Hα-helixtrans-69.5-21176-101.760.2000114.8N5N5-H7 PolarHBondContact O-N 2.8Å
8D58.2Low52.8Low91 Ų91132.4 Ų132.449%0.48765%0.646SS.*Hα-helixtrans-76.3-29.1180-74.9-23.2000112.2N5 E6 Q10 R11 E12N5-D8 PolarHBondContact O-N 2.84Å; N5-D8 VanDerWaalsContact O-N 3.17Å; E6-D8 VanDerWaalsContact C-N 3.31Å; E6-D8 PolarHBondContact O-N 3.04Å; D8-Q10 VanDerWaalsContact C-N 3.33Å; D8-Q10 PolarHBondContact O-N 3.22Å; D8-R11 PolarHBondContact O-N 3.37Å; D8-R11 IonicContact OD1-NE 3.55Å; D8-R11 IonicContact OD1-NH2 3.93Å; D8-R11 PolarHBondContact OD1-NH2 3.49Å; D8-E12 PolarHBondContact O-N 2.89Å
9D60.5Low52.8Low103 Ų103133.6 Ų133.655%0.55165%0.647SS**Hα-helixtrans-66.6-34.1174.8-72.4-7.6000111.9L13D9-L13 WeakPolarHBondContact O-CG 3.31Å; D9-L13 PolarHBondContact O-N 3.33Å; D9-L13 VanDerWaalsContact O-N 3.17Å
10Q57.7Low52.5Low123 Ų123133.6 Ų133.658%0.57565%0.646SS**Hα-helixtrans-68.7-34.7176.9-82.6175.9-19.300112.4D8 L13 E14D8-Q10 VanDerWaalsContact C-N 3.33Å; D8-Q10 PolarHBondContact O-N 3.22Å; Q10-L13 PolarHBondContact O-N 3.18Å; Q10-E14 PolarHBondContact O-N 2.99Å; Q10-E14 VanDerWaalsContact O-N 3.13Å
11R61.2Low52.4Low153 Ų153133.4 Ų133.458%0.57764%0.644SS**Hα-helixtrans-71-38.2176.3-104.5-170.3-67.9-1271.5112.8D8 L13 I15D8-R11 PolarHBondContact O-N 3.37Å; D8-R11 IonicContact OD1-NE 3.55Å; D8-R11 IonicContact OD1-NH2 3.93Å; D8-R11 PolarHBondContact OD1-NH2 3.49Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-I15 WeakPolarHBondContact O-CD1 3.39Å; R11-I15 VanDerWaalsContact O-CG1 3.29Å; R11-I15 WeakPolarHBondContact O-CG1 3.49Å; R11-I15 PolarHBondContact O-N 3.43Å
12E59.7Low52.9Low135 Ų135128.5 Ų128.563%0.63162%0.623SS**Hα-helixtrans-66-37.5175-84.8-162.7154.600112D8 I15 I16D8-E12 PolarHBondContact O-N 2.89Å; E12-I15 PolarHBondContact O-N 3.17Å; E12-I16 VanDerWaalsContact O-CG1 3.31Å; E12-I16 WeakPolarHBondContact O-CG1 3.44Å; E12-I16 PolarHBondContact O-N 3.33Å; E12-I16 VanDerWaalsContact O-N 3.14Å
13L53.9Low53Low106 Ų106128.8 Ų128.856%0.55562%0.619SS**Hα-helixtrans-67.6-40.6177.5-76.6168.4000113D9 Q10 R11 I15 I16 I17D9-L13 WeakPolarHBondContact O-CG 3.31Å; D9-L13 PolarHBondContact O-N 3.33Å; D9-L13 VanDerWaalsContact O-N 3.17Å; Q10-L13 PolarHBondContact O-N 3.18Å; R11-L13 VanDerWaalsContact C-N 3.34Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 3.46Å; L13-I16 PolarHBondContact O-N 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 2.9Å; L13-I17 VanDerWaalsContact O-N 3.07Å
14E54.8Low53.1Low135 Ų135131.6 Ų131.663%0.63162%0.62SS**Hα-helixtrans-63.5-37.9175.1-81.3-175.5162.700112.4Q10 I16 I17 H18Q10-E14 PolarHBondContact O-N 2.99Å; Q10-E14 VanDerWaalsContact O-N 3.13Å; E14-I16 VanDerWaalsContact C-N 3.3Å; E14-I16 PolarHBondContact O-N 3.02Å; E14-I17 PolarHBondContact O-N 3Å; E14-H18 PolarHBondContact O-N 3.06Å; E14-H18 VanDerWaalsContact O-N 3.09Å
15I56.9Low53.1Low115 Ų115128.7 Ų128.759%0.5962%0.62SS**Hα-helixtrans-64.7-35.7176-67.7167.7000111.1R11 E12 L13 K19R11-I15 WeakPolarHBondContact O-CD1 3.39Å; R11-I15 VanDerWaalsContact O-CG1 3.29Å; R11-I15 WeakPolarHBondContact O-CG1 3.49Å; R11-I15 PolarHBondContact O-N 3.43Å; E12-I15 PolarHBondContact O-N 3.17Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 3.46Å; I15-K19 PolarHBondContact O-N 3Å
16I54.3Low52.5Low97 Ų97127 Ų12750%0.49763%0.626SS.*Hα-helixtrans-70.6-41.6178.2-67.5166.2000111.1E12 L13 E14 K19 Q20E12-I16 VanDerWaalsContact O-CG1 3.31Å; E12-I16 WeakPolarHBondContact O-CG1 3.44Å; E12-I16 PolarHBondContact O-N 3.33Å; E12-I16 VanDerWaalsContact O-N 3.14Å; L13-I16 PolarHBondContact O-N 3.29Å; E14-I16 VanDerWaalsContact C-N 3.3Å; E14-I16 PolarHBondContact O-N 3.02Å; I16-K19 PolarHBondContact O-N 3.35Å; I16-Q20 PolarHBondContact O-N 3.46Å
17I54.8Low51.6Low102 Ų102125 Ų12552%0.52363%0.63SS.*Hα-helixtrans-64.1-45.9179.2-65.1169000110.6L13 E14 K19 Q20 E21L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 2.9Å; L13-I17 VanDerWaalsContact O-N 3.07Å; E14-I17 PolarHBondContact O-N 3Å; I17-K19 PolarHBondContact O-N 2.93Å; I17-Q20 PolarHBondContact O-N 2.86Å; I17-Q20 VanDerWaalsContact O-N 3.16Å; I17-E21 PolarHBondContact O-N 3.31Å
18H56.5Low50.6Low123 Ų123125.1 Ų125.157%0.56964%0.639SS**Hα-helixtrans-66.8-22.9179.4-105.2-52.1000114.1E14 E21 N22E14-H18 PolarHBondContact O-N 3.06Å; E14-H18 VanDerWaalsContact O-N 3.09Å; H18-E21 IonicContact ND1-OE2 3.58Å; H18-N22 PolarHBondContact O-ND2 3.19Å
19K52.8Low49.4Very low155 Ų155131 Ų13167%0.67466%0.655SS**Hα-helixtrans-77.8-24177-138.3175.6-173.3178.50112.7I15 I16 I17I15-K19 PolarHBondContact O-N 3Å; I16-K19 PolarHBondContact O-N 3.35Å; I17-K19 PolarHBondContact O-N 2.93Å
20Q47.7Very low48.2Very low134 Ų134134.4 Ų134.463%0.62667%0.669SS**Hα-helixtrans-81.2-34.4177.4-72.3-171.8-19.200112.5I16 I17 N22 Q23I16-Q20 PolarHBondContact O-N 3.46Å; I17-Q20 PolarHBondContact O-N 2.86Å; I17-Q20 VanDerWaalsContact O-N 3.16Å; Q20-N22 VanDerWaalsContact C-N 3.26Å; Q20-N22 PolarHBondContact O-N 3.14Å; Q20-Q23 PolarHBondContact O-N 3.41Å
21E50.3Low46.9Very low129 Ų129136.7 Ų136.760%0.60368%0.68SS**Hα-helixtrans-66-27.4179.7-69.9-175156.100113.2I17 H18 Q23I17-E21 PolarHBondContact O-N 3.31Å; H18-E21 IonicContact ND1-OE2 3.58Å; E21-Q23 PolarHBondContact O-N 3.43Å
22N46.8Very low45.6Very low125 Ų125134.9 Ų134.967%0.66869%0.691SS**THydrogen-bonded Turntrans-87.96.2-179.5-70.9-46.4000114.9H18 Q20H18-N22 PolarHBondContact O-ND2 3.19Å; Q20-N22 VanDerWaalsContact C-N 3.26Å; Q20-N22 PolarHBondContact O-N 3.14Å
23Q44.5Very low44.1Very low157 Ų157140 Ų14073%0.73471%0.705SS**THydrogen-bonded Turntrans-942.8178-73.3-170.5-4.500114.6Q20 E21Q20-Q23 PolarHBondContact O-N 3.41Å; E21-Q23 PolarHBondContact O-N 3.43Å
24H47.1Very low43Very low162 Ų162140.6 Ų140.675%0.7572%0.717SS**SBendtrans-98.6-3.8-175.1-81.4-68.9000116.9G26H24-G26 PolarHBondContact O-N 2.94Å
25D43Very low42Very low159 Ų159139.6 Ų139.685%0.8573%0.725SS**THydrogen-bonded Turntrans-91.321.3-175-73.8-27.7000115.7
26G34.4Very low40.7Very low67 Ų67139.4 Ų139.469%0.69173%0.734SS**THydrogen-bonded Turntrans-102.5-1.1-173.900000117.7H24 V28H24-G26 PolarHBondContact O-N 2.94Å; G26-V28 PolarHBondContact O-N 2.92Å
27C32Very low39.7Very low128 Ų128141.2 Ų141.287%0.86575%0.75SS**  trans-89.784.2-178-84.20000111.6R29C27-R29 PolarHBondContact O-N 3.45Å; C27-R29 VanDerWaalsContact O-N 3.11Å
28V34.9Very low38.6Very low128 Ų128141.1 Ų141.178%0.77676%0.758SS**  trans-65.5107.8168.4178.40000109G26 M30G26-V28 PolarHBondContact O-N 2.92Å; V28-M30 PolarHBondContact O-N 3.26Å
29R33.8Very low37.5Very low216 Ų216143.2 Ų143.282%0.81577%0.774SS**  trans-66.4105.4174.5-174.8178171.597-1.2109.3C27 E31C27-R29 PolarHBondContact O-N 3.45Å; C27-R29 VanDerWaalsContact O-N 3.11Å; R29-E31 PolarHBondContact O-N 2.97Å
30M34.2Very low36.4Very low174 Ų174141.5 Ų141.586%0.85778%0.776SS**  trans-73.8104.8172.6-69.7-82.2-11700109.1V28 S32V28-M30 PolarHBondContact O-N 3.26Å; M30-S32 PolarHBondContact O-N 2.7Å
31E30.7Very low35.8Very low170 Ų170142 Ų14279%0.79479%0.788SS**  trans-75.797.9172.8-65.4-172.815800110R29 R33R29-E31 PolarHBondContact O-N 2.97Å; E31-R33 PolarHBondContact O-N 2.98Å
32S34.4Very low34.8Very low116 Ų116140.9 Ų140.981%0.81179%0.79SS**  trans-75.7105.7168.2530000109.4M30 S34M30-S32 PolarHBondContact O-N 2.7Å; S32-S34 PolarHBondContact O-N 2.89Å
33R28.8Very low33.9Very low243 Ų243142 Ų14292%0.91780%0.795SS**  trans-55114.7170.3-83.3168.3166.4159.6-4.5110.4E31 S35E31-R33 PolarHBondContact O-N 2.98Å; R33-S35 PolarHBondContact O-N 3.4Å
34S30.2Very low33.4Very low117 Ų117141.6 Ų141.682%0.81880%0.798SS**  trans-68.1112.1168.852.10000110.3S32S32-S34 PolarHBondContact O-N 2.89Å
35S33.6Very low32.6Very low114 Ų114142 Ų14280%0.79780%0.8SS**  trans-86.5112.8161.644.60000108.9R33R33-S35 PolarHBondContact O-N 3.4Å
36S29Very low32.1Very low111 Ų111141.5 Ų141.578%0.77680%0.797SS**  trans-62.8119.7171.651.70000111.7
37T34.9Very low32Very low136 Ų136145.8 Ų145.883%0.83480%0.804SS**  trans-140.6103.4146.952.50000107.6
38S31.6Very low32Very low100 Ų100147.3 Ų147.370%0.69980%0.802SS**  trans-54.4126.5162.448.30000110.1
39D33.9Very low31.8Very low166 Ų166145.6 Ų145.689%0.88880%0.801SS**  trans-144117.9139.4-88.1-37000108.1
40V28.4Very low31.5Very low119 Ų119141.6 Ų141.672%0.72181%0.805SS**  trans-89.3110.7-175.6171.70000106.7T42V40-T42 HydrophobicContact CG1-CG2 4.15Å
41T35Very low31.1Very low144 Ų144142 Ų14288%0.88381%0.805SS**  trans-123105.115649.20000108.6
42T29.8Very low31Very low106 Ų106142.1 Ų142.165%0.6581%0.809SS**  trans-73.9142.9174.6340000111.9V40V40-T42 HydrophobicContact CG1-CG2 4.15Å
43I28.4Very low30.7Very low149 Ų149145.3 Ų145.376%0.76481%0.811SS**  trans77.6111149.9-54.2149.2000115.7
44D32.3Very low30.5Very low148 Ų148141.1 Ų141.179%0.79181%0.806SS**  -160.1125.690.2-137.8-15.6000110.3
45E30.7Very low30.5Very low172 Ų172143.9 Ų143.980%0.80481%0.805SS**  trans-91.8131.7171.2-73.9179.1156.900107
46N33.7Very low30.3Very low147 Ų147143.4 Ų143.479%0.78680%0.8SS**  trans90.983179.3-47.9-33000114.3
47D31.6Very low30.3Very low158 Ų158146.1 Ų146.185%0.84580%0.8SS**  -167146.9126.2-95.3-26.7000110.7
48I32.1Very low30Very low159 Ų159145.2 Ų145.282%0.81580%0.796SS**  trans91.383.3171.2-46.2159.4000114.3
49A31.3Very low29.8Very low92 Ų92148 Ų14876%0.7680%0.803SS**  trans-50.5135.5158.500000111.5E51A49-E51 PolarHBondContact O-N 3.44Å; A49-E51 VanDerWaalsContact O-N 3.14Å
50C26.3Very low29.5Very low132 Ų132146.3 Ų146.389%0.89279%0.793SS**  trans-6798.9177.2-580000111.8
51E26.3Very low29.6Very low182 Ų182147.8 Ų147.885%0.8579%0.792SS**  trans-140.684159-76.6-172.4170.800109A49A49-E51 PolarHBondContact O-N 3.44Å; A49-E51 VanDerWaalsContact O-N 3.14Å
52I29.3Very low29.3Very low173 Ų173152.7 Ų152.789%0.88780%0.795SS**  trans-128.4108.6160-59.5-178.8000107.8
53E27Very low29.2Very low184 Ų184153.3 Ų153.386%0.8680%0.798SS**  trans-62.1149.3177.6-67.9178.2145.600112.2H55E53-H55 PolarHBondContact O-N 3.05Å
54I24.2Very low29.1Very low155 Ų155153.7 Ų153.780%0.79580%0.797SS**  trans-60.3118.7-177.9-61.6155.9000110.1
55H31.6Very low28.9Very low174 Ų174153.5 Ų153.581%0.80680%0.796SS**  trans-127.9110.4152.6-112.7-68.1000110E53 Q57E53-H55 PolarHBondContact O-N 3.05Å; H55-Q57 PolarHBondContact O-N 3.39Å
56P27.8Very low28.7Very low105 Ų105150 Ų15068%0.68279%0.79SS**  trans-78.210917830.1-28.2000108.7
57Q30.7Very low28.3Very low167 Ų167152.3 Ų152.378%0.7879%0.789SS**  trans-97.8120.9167.4-74.7-107.8-5.600108.5H55 L59H55-Q57 PolarHBondContact O-N 3.39Å; Q57-L59 PolarHBondContact O-N 3.08Å
58P28.9Very low28Very low118 Ų118149.2 Ų149.277%0.76679%0.786SS**  trans-75.6111.8175.128.4-29.2000109.4D60P58-D60 PolarHBondContact O-N 2.99Å
59L26.7Very low27.7Very low158 Ų158147.6 Ų147.683%0.82778%0.783SS**  trans-81.8105.9169-105.9108.9000109.5Q57Q57-L59 PolarHBondContact O-N 3.08Å
60D26.7Very low27.5Very low130 Ų130148.8 Ų148.870%0.69578%0.781SS**  trans-76.6143.4172.5-128.9-7000109.6P58P58-D60 PolarHBondContact O-N 2.99Å
61H30.8Very low27.5Very low151 Ų151147.4 Ų147.470%0.69977%0.768SS**  trans75.584.3168.2-48.684.5000118.5
62W28.3Very low27.5Very low246 Ų246149.2 Ų149.293%0.93277%0.768SS**  trans-98.6107.9150.7-7715.4000108.8
63V28.3Very low27.4Very low120 Ų120149.3 Ų149.373%0.72776%0.764SS**  trans-70.7136176.2171.50000109.2D65V63-D65 PolarHBondContact O-N 3.49Å
64E26Very low27.4Very low156 Ų156146.6 Ų146.673%0.72976%0.76SS**  trans-60.9114172.4-62.8-175.2165.800111.1
65D28.2Very low27.6Very low145 Ų145144.7 Ų144.778%0.77576%0.758SS**  trans-114.2108.8165.1-91.2-22.2000110.9V63V63-D65 PolarHBondContact O-N 3.49Å
66S27.6Very low27.3Very low98 Ų98142.8 Ų142.869%0.68576%0.758SS**  trans62.997.5140.748.60000120A68S66-A68 PolarHBondContact O-N 2.95Å
67Y24.1Very low27.3Very low195 Ų195145.4 Ų145.477%0.76576%0.764SS**  trans-44.1119.1152.9-43.4-90.7000112.9
68A26.3Very low27.1Very low94 Ų94142.6 Ų142.678%0.77776%0.759SS**  trans-95.89917000000110.4S66 V70S66-A68 PolarHBondContact O-N 2.95Å; A68-V70 PolarHBondContact O-N 2.81Å
69T25Very low27Very low124 Ų124142.8 Ų142.876%0.76176%0.76SS**  trans-71.1104.9175.8-550000110.7V71T69-V71 HydrophobicContact CG2-CG2 4.17Å; T69-V71 PolarHBondContact O-N 3.46Å
70V28.4Very low26.9Very low118 Ų118141.5 Ų141.572%0.71576%0.759SS**  trans-86.497.1172-178.50000109.3A68 R72A68-V70 PolarHBondContact O-N 2.81Å; V70-R72 HydrophobicContact CG1-CG 4.28Å; V70-R72 PolarHBondContact O-N 2.87Å
71V25.4Very low26.8Very low103 Ų103141.5 Ų141.562%0.62476%0.764SS**  trans-68.4103.6172.8179.30000108.9T69T69-V71 HydrophobicContact CG2-CG2 4.17Å; T69-V71 PolarHBondContact O-N 3.46Å
72R25.5Very low26.6Very low220 Ų220140.5 Ų140.583%0.8377%0.768SS**  trans-94.8108.3168.5-72.4-171.8176.8177.70.1109.1V70 T74V70-R72 HydrophobicContact CG1-CG 4.28Å; V70-R72 PolarHBondContact O-N 2.87Å; R72-T74 PolarHBondContact O-N 2.84Å
73H28Very low26.5Very low175 Ų175134.1 Ų134.181%0.8176%0.756SS**  trans-63.6111.1173.4-69.2-85.4000110.5
74T26.2Very low26.4Very low126 Ų126134.5 Ų134.577%0.77376%0.762SS**  trans-91126.3166.642.60000109.8R72R72-T74 PolarHBondContact O-N 2.84Å
75P29Very low26.4Very low116 Ų116133 Ų13375%0.75376%0.763SS**  trans-75.3135.6-174.228.9-32.2000112.1I77P75-I77 PolarHBondContact O-N 3.48Å
76V26Very low26.5Very low134 Ų134133.8 Ų133.881%0.81277%0.767SS**  trans-70.7112.7177.5177.90000109.2T78V76-T78 HydrophobicContact CG1-CG2 4.39Å
77I27.7Very low26.5Very low159 Ų159135.2 Ų135.282%0.81577%0.772SS**  trans-107.6117.8165.8-58178.3000107.1P75P75-I77 PolarHBondContact O-N 3.48Å
78T27.1Very low26.6Very low108 Ų108130.2 Ų130.266%0.66377%0.77SS**PPolyproline II helixtrans-74.9152.6-176.541.60000112.1V76V76-T78 HydrophobicContact CG1-CG2 4.39Å
79P25.2Very low26.9Very low122 Ų122132.7 Ų132.779%0.79277%0.771SS**PPolyproline II helixtrans-84.4130.5-164.918.8-6.3000111.7
80T26Very low27.2Very low132 Ų132135 Ų13581%0.8177%0.772SS**PPolyproline II helixtrans-89.8116.3170.7-32.60000109.5V82T80-V82 PolarHBondContact O-N 2.95Å
81T24.4Very low27.4Very low129 Ų129135.9 Ų135.979%0.79177%0.773SS**  trans-59.1111.8175.4-43.60000110.6
82V26.4Very low27.9Very low130 Ų130136.9 Ų136.979%0.78878%0.78SS**  trans-115.3120.9166.7-176.60000107.9T80T80-V82 PolarHBondContact O-N 2.95Å
83T26.1Very low28.4Very low112 Ų112134.6 Ų134.669%0.68778%0.779SS**  trans-70.3150.9-178.741.70000111.6V85T83-V85 PolarHBondContact O-N 3.01Å
84P26.3Very low28.7Very low129 Ų129133.2 Ų133.284%0.83877%0.774SS**  trans-83.3121.5-168.819.3-6.9000110.9
85V26.4Very low29.1Very low125 Ų125132.7 Ų132.776%0.75877%0.767SS**  trans-88.4112.9168177.20000108.3T83 T87T83-V85 PolarHBondContact O-N 3.01Å; V85-T87 PolarHBondContact O-N 3.02Å; V85-T87 PolarHBondContact O-OG1 3.47Å
86N28.4Very low29.2Very low160 Ų160133.7 Ų133.786%0.85677%0.766SS**  trans-47.4107.6168.3-91.5-33.4000111
87T27.5Very low29.5Very low129 Ų129133.8 Ų133.879%0.79176%0.761SS**  trans-126.169.6163.522.80000108.4V85 N89V85-T87 PolarHBondContact O-N 3.02Å; V85-T87 PolarHBondContact O-OG1 3.47Å; T87-N89 PolarHBondContact O-N 3.01Å
88A27.4Very low29.6Very low89 Ų89132.9 Ų132.974%0.73676%0.756SS**  trans-69.7103155.200000106.6
89N31.5Very low29.8Very low146 Ų146136.2 Ų136.278%0.78177%0.765SS**SBendtrans171.624.8151.5-90.82.3000117.1T87T87-N89 PolarHBondContact O-N 3.01Å
90H33.3Very low30.3Very low172 Ų172137.8 Ų137.880%0.79676%0.761SS**SBendtrans-137.220179.9-98.4-68.6000119
91N31Very low30.7Very low137 Ų137137.9 Ų137.973%0.73376%0.757SS**  trans-1098.3-178.7-69.5-0.4000116.2E93N91-E93 VanDerWaalsContact C-N 3.29Å; N91-E93 PolarHBondContact O-N 3.44Å
92T36.8Very low31.2Very low125 Ų125139.5 Ų139.577%0.76776%0.76SS**THydrogen-bonded Turntrans-801.2-179.825.60000115.6
93E35.4Very low31.5Very low172 Ų172141.7 Ų141.780%0.80476%0.761SS**THydrogen-bonded Turntrans-106.4-4-177.5-141.3171.3-168.200114.9N91N91-E93 VanDerWaalsContact C-N 3.29Å; N91-E93 PolarHBondContact O-N 3.44Å
94M34.6Very low32.3Very low146 Ų146142 Ų14272%0.71976%0.763SS**THydrogen-bonded Turntrans-108.1-22.5175.1-82.4-70.7-165.500114.2N96M94-N96 VanDerWaalsContact C-N 3.34Å; M94-N96 PolarHBondContact O-N 2.94Å
95D35.1Very low32.5Very low114 Ų114145.3 Ų145.361%0.6176%0.76SS**G310 helixtrans-79.7-13.5-177.5-73.2-22.7000113.8
96N31.1Very low32.9Very low137 Ų137143.9 Ų143.973%0.73375%0.748SS**G310 helixtrans-90.9-2.8177.9-77.4-17.3000114.8M94M94-N96 VanDerWaalsContact C-N 3.34Å; M94-N96 PolarHBondContact O-N 2.94Å
97L31.8Very low33Very low137 Ų137140.1 Ų140.172%0.71773%0.732SS**G310 helixtrans-93.7-0.3177.4-85.8159.4000114
98I30.8Very low33.3Very low140 Ų140141.2 Ų141.272%0.71873%0.728SS**SBendtrans-97.1-1.7-176.4-62179.2000112.8
99Q30.7Very low33.5Very low178 Ų178144 Ų14483%0.83273%0.726SS**SBendtrans-12413.6-173.4-113.1151.3-23.600117.1
100E35.2Very low33.6Very low155 Ų155143.5 Ų143.572%0.72472%0.719SS**SBendtrans-111.5110.1169.7-105.1-179.7159.200111.1
101N35.6Very low33.5Very low133 Ų133143.4 Ų143.471%0.71171%0.713SS**  trans69.444.3150.7-52.8-35.1000119.1E103N101-E103 PolarHBondContact O-N 2.83Å
102L33.8Very low33.5Very low163 Ų163140 Ų14085%0.85370%0.704SS**  trans-77.663.6150.1-103.494.7000110.1V104L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 2.99Å; L102-V104 VanDerWaalsContact O-N 3.07Å
103E33.8Very low33.2Very low176 Ų176142.4 Ų142.482%0.82270%0.704SS**  trans-7098.4153.7-75.8-172.516500106.2N101 Y105N101-E103 PolarHBondContact O-N 2.83Å; E103-Y105 VanDerWaalsContact C-N 3.35Å; E103-Y105 PolarHBondContact O-N 2.72Å
104V41.1Very low33Very low120 Ų120141.7 Ų141.773%0.72770%0.698SS**  trans-59.6101.6172.8176.10000106.8L102 N106L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 2.99Å; L102-V104 VanDerWaalsContact O-N 3.07Å; V104-N106 VanDerWaalsContact C-N 3.31Å; V104-N106 PolarHBondContact O-N 2.89Å
105Y32Very low32.7Very low198 Ų198141.9 Ų141.978%0.77670%0.697SS**  trans-5897.3171.8178.5-101.8000108.1E103 P107E103-Y105 VanDerWaalsContact C-N 3.35Å; E103-Y105 PolarHBondContact O-N 2.72Å; Y105-P107 HydrophobicContact CD1-CG 4.46Å; Y105-P107 HydrophobicContact CE1-CB 3.89Å; Y105-P107 HydrophobicContact CE1-CG 4.17Å; Y105-P107 WeakPolarHBondContact O-CD 3.44Å
106N34.3Very low32.3Very low95 Ų95145.1 Ų145.151%0.50871%0.706SS.*  trans-99.494.6175.2-173.1-5.8000107.7V104 H108 E109V104-N106 VanDerWaalsContact C-N 3.31Å; V104-N106 PolarHBondContact O-N 2.89Å; N106-H108 PolarHBondContact O-N 3.23Å; N106-H108 WeakPolarHBondContact OD1-CB 3.39Å; N106-H108 PolarHBondContact OD1-N 3.23Å; N106-E109 PolarHBondContact O-N 3.3Å
107P31.3Very low32.1Very low80 Ų80145 Ų14552%0.51971%0.705SS.*Hα-helixtrans-62.7-6.7-176.323.3-32.5000113.8Y105Y105-P107 HydrophobicContact CD1-CG 4.46Å; Y105-P107 HydrophobicContact CE1-CB 3.89Å; Y105-P107 HydrophobicContact CE1-CG 4.17Å; Y105-P107 WeakPolarHBondContact O-CD 3.44Å
108H32.1Very low32Very low153 Ų153143.5 Ų143.571%0.70871%0.706SS**Hα-helixtrans-78.7-24.7-179.6-132.1-87.8000113.8N106N106-H108 PolarHBondContact O-N 3.23Å; N106-H108 WeakPolarHBondContact OD1-CB 3.39Å; N106-H108 PolarHBondContact OD1-N 3.23Å
109E32.9Very low32Very low147 Ų147147 Ų14769%0.68772%0.716SS**Hα-helixtrans-84-30.4-172.5-119.3-175.7172.100113.9N106N106-E109 PolarHBondContact O-N 3.3Å
110E32.4Very low32.1Very low136 Ų136144.8 Ų144.864%0.63671%0.71SS**Hα-helixtrans-84.4-27.3177-143.7-174.117000112.6A112 K113E110-A112 VanDerWaalsContact C-N 3.34Å; E110-A112 PolarHBondContact O-N 3.3Å; E110-K113 PolarHBondContact O-N 3.38Å
111Y31.3Very low31.8Very low170 Ų170140.4 Ų140.467%0.66771%0.706SS**Hα-helixtrans-66.7-36.7178.3-157.6-96.2000112.1K113 K114Y111-K113 VanDerWaalsContact C-N 3.3Å; Y111-K113 PolarHBondContact O-N 3.24Å; Y111-K114 PolarHBondContact O-N 3.34Å
112A30.7Very low31.6Very low65 Ų65138.3 Ų138.354%0.53769%0.694SS.*Hα-helixtrans-67.8-26.517800000113.4E110 K114E110-A112 VanDerWaalsContact C-N 3.34Å; E110-A112 PolarHBondContact O-N 3.3Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.26Å
113K32.4Very low31.4Very low176 Ų176132.7 Ų132.777%0.76568%0.675SS**Hα-helixtrans-78.1-13.3-178.1-81.3178.9179.1170.30114.5E110 Y111E110-K113 PolarHBondContact O-N 3.38Å; Y111-K113 VanDerWaalsContact C-N 3.3Å; Y111-K113 PolarHBondContact O-N 3.24Å
114K30.8Very low31.1Very low156 Ų156133 Ų13368%0.67867%0.67SS**THydrogen-bonded Turntrans-102.36.5179-74-177.6-178.9169.60114.3Y111 A112 F116Y111-K114 PolarHBondContact O-N 3.34Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 3.26Å; K114-F116 PolarHBondContact O-N 3.2Å
115Q27.6Very low30.4Very low151 Ų151132.3 Ų132.371%0.70666%0.662SS**  trans-79.819.1-174.7-152.8152.9-17.200114.6
116F26.7Very low30.1Very low182 Ų182131.8 Ų131.880%0.79866%0.66SS**  trans-90.4116.1174.9-110.7-92.4000111.3K114K114-F116 PolarHBondContact O-N 3.2Å
117D26.1Very low29.7Very low133 Ų133135.5 Ų135.571%0.71167%0.668SS**  trans6295.8153.5-59.4-22.6000120.5
118S30Very low29.4Very low107 Ų107138.3 Ų138.375%0.74868%0.679SS**  174.5143.1111.250.80000112L120S118-L120 PolarHBondContact O-N 3.28Å
119K32.1Very low29.1Very low213 Ų213139.8 Ų139.893%0.92668%0.683SS**SBendtrans-76.426.9-166.4-132.5173.4-174.6178.70115.1
120L32.3Very low28.7Very low132 Ų132137.1 Ų137.169%0.69169%0.686SS**SBendtrans-141.1110.9174.8-70.7169.8000106.5S118 I122S118-L120 PolarHBondContact O-N 3.28Å; L120-I122 HydrophobicContact CB-CD1 4.47Å; L120-I122 HydrophobicContact CB-CG1 4.35Å; L120-I122 PolarHBondContact O-N 3.43Å
121G27.9Very low28.5Very low62 Ų62136.5 Ų136.564%0.63969%0.691SS**  trans-67.860.2-177.300000113.3G123G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 2.78Å; G121-G123 VanDerWaalsContact O-N 3.13Å
122I31.1Very low28.1Very low90 Ų90136.9 Ų136.946%0.46270%0.699SS.*  trans-76.693.3168.1-54.2170.9000104.7L120 Y124L120-I122 HydrophobicContact CB-CD1 4.47Å; L120-I122 HydrophobicContact CB-CG1 4.35Å; L120-I122 PolarHBondContact O-N 3.43Å; I122-Y124 VanDerWaalsContact C-N 3.29Å; I122-Y124 HydrophobicContact CB-CD2 4.45Å; I122-Y124 HydrophobicContact CB-CE2 4.09Å; I122-Y124 HydrophobicContact CG2-CD2 4.23Å; I122-Y124 HydrophobicContact CG2-CE1 4.41Å; I122-Y124 HydrophobicContact CG2-CE2 3.98Å; I122-Y124 VanDerWaalsContact O-CD2 3.23Å; I122-Y124 WeakPolarHBondContact O-CD2 3.24Å; I122-Y124 PolarHBondContact O-N 2.86Å
123G30.7Very low27.9Very low44 Ų44141.1 Ų141.145%0.45471%0.711SS.*  trans-62.694.7169.100000108.6G121 N125G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 2.78Å; G121-G123 VanDerWaalsContact O-N 3.13Å; G123-N125 PolarHBondContact O-N 2.83Å
124Y26.9Very low27.6Very low184 Ų184141 Ų14172%0.72271%0.713SS**  trans-68.1100.1170.6-72.9-86.5000108.4I122I122-Y124 VanDerWaalsContact C-N 3.29Å; I122-Y124 HydrophobicContact CB-CD2 4.45Å; I122-Y124 HydrophobicContact CB-CE2 4.09Å; I122-Y124 HydrophobicContact CG2-CD2 4.23Å; I122-Y124 HydrophobicContact CG2-CE1 4.41Å; I122-Y124 HydrophobicContact CG2-CE2 3.98Å; I122-Y124 VanDerWaalsContact O-CD2 3.23Å; I122-Y124 WeakPolarHBondContact O-CD2 3.24Å; I122-Y124 PolarHBondContact O-N 2.86Å
125N27.4Very low27.3Very low104 Ų104142.5 Ų142.556%0.55672%0.723SS**  trans-89.5122.8155.8-88.6-36.6000108.2G123 Y127 Y281G123-N125 PolarHBondContact O-N 2.83Å; N125-Y127 PolarHBondContact O-N 3.4Å; N125-Y281 PolarHBondContact ND2-O 3.01Å
126Y24.6Very low27.3Very low188 Ų188145 Ų14574%0.73773%0.732SS**  trans-52.7110.3-177.5-91.1-104.6000112.4N128Y126-N128 WeakPolarHBondContact CD1-ND2 3.33Å; Y126-N128 PolarHBondContact O-N 2.85Å
127Y26.6Very low27.2Very low172 Ų172144.1 Ų144.168%0.67573%0.73SS**  trans-85.581.3156-83.6-82.5000108.8N125N125-Y127 PolarHBondContact O-N 3.4Å
128N25.8Very low27.1Very low140 Ų140144.9 Ų144.975%0.74973%0.734SS**  trans-95.473.3159-78.4-24.6000108.1Y126Y126-N128 WeakPolarHBondContact CD1-ND2 3.33Å; Y126-N128 PolarHBondContact O-N 2.85Å
129K24.9Very low27.1Very low184 Ų184147.6 Ų147.680%0.874%0.739SS**  trans-101.3102.2159.8-155.1170.4-173176.20105.5V131K129-V131 PolarHBondContact O-N 3.22Å
130A25.2Very low26.7Very low91 Ų91144.7 Ų144.775%0.75273%0.734SS**  trans-51.3113.8174.900000108.2E132A130-E132 PolarHBondContact O-N 3.27Å
131V26.8Very low26.6Very low123 Ų123146 Ų14675%0.74574%0.742SS**  trans-76104.2165.61740000104.3K129 I133K129-V131 PolarHBondContact O-N 3.22Å; V131-I133 WeakPolarHBondContact O-CG1 3.42Å; V131-I133 PolarHBondContact O-N 2.92Å
132E24.3Very low26.4Very low177 Ų177146.5 Ų146.583%0.82775%0.747SS**  trans-61.7107.3166.2-70.3176.4176.200106.5A130 E134A130-E132 PolarHBondContact O-N 3.27Å; E132-E134 PolarHBondContact O-N 3Å
133I24.9Very low26.4Very low154 Ų154148.4 Ų148.479%0.7976%0.763SS**  trans-81.8100.5177.4-35.8173.3000104.5V131 E135V131-I133 WeakPolarHBondContact O-CG1 3.42Å; V131-I133 PolarHBondContact O-N 2.92Å; I133-E135 PolarHBondContact O-N 3.14Å
134E26.7Very low26.2Very low175 Ų175154 Ų15482%0.81878%0.782SS**  trans-61.2116.7171.3-71.3-178.2157.500108.3E132 F136E132-E134 PolarHBondContact O-N 3Å; E134-F136 PolarHBondContact O-N 3.29Å
135E25.4Very low26.4Very low186 Ų186153.7 Ų153.787%0.86979%0.787SS**  trans-58106.8174.6-85173.7146.500109.4I133 E137I133-E135 PolarHBondContact O-N 3.14Å; E135-E137 PolarHBondContact O-N 3.44Å; E135-E137 VanDerWaalsContact O-N 3.14Å
136F26.5Very low26.4Very low205 Ų205157.3 Ų157.390%0.89980%0.801SS**  trans-77.692.6166.3-118.6-94.1000108.1E134 D138E134-F136 PolarHBondContact O-N 3.29Å; F136-D138 PolarHBondContact O-N 2.86Å
137E24.2Very low26.3Very low162 Ų162156.2 Ų156.276%0.75781%0.807SS**  trans-66.5117.7156.2-69.2-176151.400107.8E135E135-E137 PolarHBondContact O-N 3.44Å; E135-E137 VanDerWaalsContact O-N 3.14Å
138D24.1Very low26.3Very low150 Ų150153.7 Ų153.780%0.80281%0.812SS**  trans164.2151.2132.5-84.4-31000113F136F136-D138 PolarHBondContact O-N 2.86Å
139L31.1Very low26.3Very low163 Ų163151.9 Ų151.985%0.85381%0.81SS**  trans91.566.1166.7-55.6167.5000117.4
140N24.2Very low26.3Very low152 Ų152151.6 Ų151.681%0.81381%0.811SS**  20.9103.3110.9-147.69.1000116.5
141N29.9Very low26.4Very low160 Ų160153.6 Ų153.686%0.85681%0.814SS**  trans-154.4102.3144-97.8-24.5000108.9T143N141-T143 PolarHBondContact O-N 3.32Å
142G24Very low26.2Very low73 Ų73158.1 Ų158.175%0.75382%0.818SS**  trans-67.2119.3172.300000110.9
143T30.8Very low26Very low129 Ų129157.9 Ų157.979%0.79182%0.821SS**  trans-130.6104.9154.237.50000108.3N141 H145N141-T143 PolarHBondContact O-N 3.32Å; T143-H145 PolarHBondContact O-N 2.91Å; T143-H145 VanDerWaalsContact O-N 3.15Å
144N25.8Very low25.9Very low162 Ų162161.4 Ų161.487%0.86683%0.825SS**  trans-51.3108.7167-81.1-59.4000110.4
145H32.3Very low25.7Very low178 Ų178159.5 Ų159.582%0.82483%0.825SS**  trans-136.595152.8-90.9-67000109.4T143 L147T143-H145 PolarHBondContact O-N 2.91Å; T143-H145 VanDerWaalsContact O-N 3.15Å; H145-L147 PolarHBondContact O-N 2.68Å
146Q26.2Very low25.6Very low180 Ų180157.5 Ų157.584%0.84182%0.819SS**  trans9.6105.2150.5-143.3102.2-7.200115.9P148Q146-P148 WeakPolarHBondContact O-CD 3.35Å
147L22.8Very low25.6Very low165 Ų165152.6 Ų152.686%0.86481%0.808SS**  trans-57.5125.8163.9-102.679.3000110.1H145 S149H145-L147 PolarHBondContact O-N 2.68Å; L147-S149 PolarHBondContact O-N 2.88Å
148P26.5Very low25.6Very low119 Ų119153.6 Ų153.677%0.77382%0.817SS**  trans-73.4125.4161.2-8.726.2000108.8Q146 E150Q146-P148 WeakPolarHBondContact O-CD 3.35Å; P148-E150 PolarHBondContact O-N 3.18Å
149S26.5Very low25.7Very low101 Ų101154.9 Ų154.971%0.70682%0.819SS**  trans-40.7127.1175.148.20000115.1L147 T151L147-S149 PolarHBondContact O-N 2.88Å; S149-T151 PolarHBondContact O-N 2.84Å; S149-T151 VanDerWaalsContact O-N 3.15Å
150E24.9Very low25.3Very low178 Ų178157.8 Ų157.883%0.83282%0.818SS**  trans4.392.4144.4-61.7-177.6158.400116P148 R152P148-E150 PolarHBondContact O-N 3.18Å; E150-R152 PolarHBondContact O-N 2.9Å
151T25.9Very low25.3Very low133 Ų133160.4 Ų160.482%0.81682%0.823SS**  trans-9587.7160.7-44.50000107.7S149 L153S149-T151 PolarHBondContact O-N 2.84Å; S149-T151 VanDerWaalsContact O-N 3.15Å; T151-L153 PolarHBondContact O-N 3.33Å
152R23.3Very low25Very low218 Ų218160.7 Ų160.782%0.82382%0.823SS**  trans-49.3111.3171.7-93174.1145.3143.1-6.9109.6E150 R154E150-R152 PolarHBondContact O-N 2.9Å; R152-R154 PolarHBondContact O-N 3.48Å
153L20.7Very low25Very low172 Ų172162.7 Ų162.790%0.90182%0.82SS**  trans-58.4104.1168.2-70.3165.4000108T151 T155T151-L153 PolarHBondContact O-N 3.33Å; L153-T155 PolarHBondContact O-N 2.88Å
154R22.4Very low24.8Very low228 Ų228165.2 Ų165.286%0.8682%0.823SS**  trans-70.5111.9169.7-73.3-176-177.6-1232.6107.5R152 I156R152-R154 PolarHBondContact O-N 3.48Å; R154-I156 PolarHBondContact O-N 3.14Å; R154-I156 VanDerWaalsContact O-N 3.1Å
155T22.4Very low24.9Very low135 Ų135166 Ų16683%0.82882%0.821SS**  trans-56.7108.1163.7-50.90000108.2L153 P157L153-T155 PolarHBondContact O-N 2.88Å; T155-P157 WeakPolarHBondContact O-CD 3.37Å
156I23.5Very low24.6Very low145 Ų145165.6 Ų165.674%0.74482%0.82SS**  trans-88.2115.4174.1-64.4168.6000106.9R154 L158R154-I156 PolarHBondContact O-N 3.14Å; R154-I156 VanDerWaalsContact O-N 3.1Å; I156-L158 PolarHBondContact O-N 3.2Å
157P26.7Very low24.9Very low102 Ų102165.3 Ų165.366%0.66282%0.818SS**  trans-68.4125.6177.2-14.629.8000110T155 E159T155-P157 WeakPolarHBondContact O-CD 3.37Å; P157-E159 PolarHBondContact O-N 3.31Å
158L23.3Very low25Very low183 Ų183164.1 Ų164.196%0.95881%0.811SS**  trans-74.772.8170.9-74.6164.5000109.4I156I156-L158 PolarHBondContact O-N 3.2Å
159E25.9Very low25Very low177 Ų177164 Ų16483%0.82780%0.804SS**  trans-106.6133.9158.3-73.6-165.5157.600108.5P157P157-E159 PolarHBondContact O-N 3.31Å
160R24Very low25.3Very low223 Ų223164.8 Ų164.884%0.84280%0.804SS**  trans95.773.9159.6-149179.1-157.2158.54.5117.5
161F23.2Very low25.7Very low208 Ų208163.6 Ų163.691%0.91280%0.799SS**  trans-141.978.9137.3-80.3-76.5000108.9
162I23.3Very low25.8Very low166 Ų166164.2 Ų164.285%0.85180%0.797SS**  trans-106.895160.9-58.1172.9000105
163T24.3Very low26Very low114 Ų114160.4 Ų160.470%0.69979%0.792SS**  trans-151.5138.7163.143.70000107.8
164E27Very low26.4Very low183 Ų183161 Ų16186%0.85579%0.787SS**  trans97.480.6171.1-56.2-176175.700115.8Q166E164-Q166 PolarHBondContact O-N 2.86Å
165E27.4Very low26.8Very low177 Ų177157.9 Ų157.983%0.82778%0.783SS**  trans-47.690.4157.5-62.6167.8147.100111.6H167E165-H167 PolarHBondContact O-N 3.07Å
166Q27.4Very low27Very low170 Ų170160 Ų16079%0.79478%0.783SS**  trans-86.596.4154.3-68.2-151.1-24.600108.2E164 I168E164-Q166 PolarHBondContact O-N 2.86Å; Q166-I168 PolarHBondContact O-N 3.38Å
167H31.9Very low27Very low175 Ų175157.8 Ų157.881%0.8178%0.781SS**  trans-52.385.1165.2-89.1-92.2000110.5E165E165-H167 PolarHBondContact O-N 3.07Å
168I25.5Very low26.9Very low140 Ų140161.2 Ų161.272%0.71879%0.788SS**  trans-87109.7161.4-61.4173.1000105.8Q166 V170Q166-I168 PolarHBondContact O-N 3.38Å; I168-V170 WeakPolarHBondContact O-CG2 3.32Å; I168-V170 PolarHBondContact O-N 3.04Å
169N26.5Very low27.1Very low117 Ų117158.1 Ų158.163%0.62678%0.778SS**  trans-60.9105.8-179.8-174.9-13.3000110.4E171N169-E171 PolarHBondContact O-N 3.45Å; N169-E171 VanDerWaalsContact OD1-CB 3.28Å; N169-E171 WeakPolarHBondContact OD1-CB 3.02Å; N169-E171 WeakPolarHBondContact OD1-CG 3.48Å; N169-E171 PolarHBondContact OD1-N 3.08Å
170V31.7Very low26.9Very low116 Ų116158.1 Ų158.170%0.70378%0.781SS**G310 helixtrans-77.31-178.5-171.90000112.3I168 N172I168-V170 WeakPolarHBondContact O-CG2 3.32Å; I168-V170 PolarHBondContact O-N 3.04Å; V170-N172 PolarHBondContact O-N 3.47Å
171E33.8Very low27Very low153 Ų153157.9 Ų157.972%0.71578%0.78SS**G310 helixtrans-71.5-12.2-175.3-68.7-171.3146.400114.6N169N169-E171 PolarHBondContact O-N 3.45Å; N169-E171 VanDerWaalsContact OD1-CB 3.28Å; N169-E171 WeakPolarHBondContact OD1-CB 3.02Å; N169-E171 WeakPolarHBondContact OD1-CG 3.48Å; N169-E171 PolarHBondContact OD1-N 3.08Å
172N28.1Very low27.3Very low146 Ų146155.5 Ų155.578%0.78178%0.777SS**G310 helixtrans-97.63.1-178.9-96.7-26.4000116.7V170V170-N172 PolarHBondContact O-N 3.47Å
173L26.9Very low27.5Very low138 Ų138157.1 Ų157.172%0.72377%0.773SS**SBendtrans-107.60.1178.1-76.6165.3000114.8H175L173-H175 VanDerWaalsContact C-N 3.26Å; L173-H175 PolarHBondContact O-N 2.95Å
174K29Very low27.7Very low184 Ų184156.2 Ų156.280%0.877%0.771SS**THydrogen-bonded Turntrans-79-1.1177.9-111.4179.2-178.6178.90115.2
175H30.3Very low27.8Very low164 Ų164153.5 Ų153.576%0.75976%0.762SS**THydrogen-bonded Turntrans-101.25.7-176.6-71.6-59000115.9L173L173-H175 VanDerWaalsContact C-N 3.26Å; L173-H175 PolarHBondContact O-N 2.95Å
176Q26.9Very low28.1Very low178 Ų178150.2 Ų150.283%0.83276%0.758SS**SBendtrans-119.7-0.2-177.7-86.6-177.7-6.900117.1
177S24.1Very low28.4Very low100 Ų100151 Ų15170%0.69976%0.762SS**  trans-103.569173.466.90000111P179S177-P179 WeakPolarHBondContact O-CD 3.32Å
178Q24.4Very low28.5Very low174 Ų174145.9 Ų145.981%0.81375%0.746SS**  trans-77.2116.4158.7-79.5-169-5.400107.4M180Q178-M180 PolarHBondContact O-N 3.42Å; Q178-M180 VanDerWaalsContact O-N 3.17Å
179P27.7Very low28.8Very low117 Ų117144.1 Ų144.176%0.7674%0.738SS**  trans-62121.9176.325.4-30.6000107.4S177 R181S177-P179 WeakPolarHBondContact O-CD 3.32Å; P179-R181 PolarHBondContact O-N 3.23Å
180M22.2Very low29.4Very low177 Ų177143 Ų14387%0.87274%0.735SS**  trans-52.5111.7174.9-81.5175.264.500107.8Q178 N182Q178-M180 PolarHBondContact O-N 3.42Å; Q178-M180 VanDerWaalsContact O-N 3.17Å; M180-N182 PolarHBondContact O-N 3.45Å
181R26.6Very low29.5Very low218 Ų218145.8 Ų145.882%0.82374%0.738SS**  trans-56.7114167.9-97.1178-106.2176.9-5.2106P179 Y183P179-R181 PolarHBondContact O-N 3.23Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.08Å
182N28.9Very low29.5Very low159 Ų159145.7 Ų145.785%0.8574%0.739SS**  trans-54.198.4168.1-68.6-21.5000107.4M180 C184M180-N182 PolarHBondContact O-N 3.45Å; N182-C184 PolarHBondContact O-N 3.07Å
183Y28.2Very low29.6Very low200 Ų200145.2 Ų145.278%0.78474%0.736SS**  trans-66.1112.8165.8-112.6-103000104.8R181 D185R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.08Å; Y183-D185 VanDerWaalsContact C-N 3.32Å; Y183-D185 PolarHBondContact O-N 3.28Å
184C27.5Very low29.8Very low95 Ų95145.7 Ų145.764%0.64274%0.738SS**  trans-69.4101.2171.169.60000106.7N182N182-C184 PolarHBondContact O-N 3.07Å
185D28.5Very low30.1Very low126 Ų126142.6 Ų142.667%0.67474%0.735SS**  trans-63.5138.3174.4-67.3-39.1000109.2Y183Y183-D185 VanDerWaalsContact C-N 3.32Å; Y183-D185 PolarHBondContact O-N 3.28Å
186S33.9Very low30.5Very low107 Ų107139.9 Ų139.975%0.74873%0.734SS**THydrogen-bonded Turntrans-6.3126.7169.153.10000116.8
187E33.7Very low31Very low186 Ų186138.7 Ų138.787%0.86973%0.733SS**THydrogen-bonded Turntrans89.21.2166.4-50.5-173170.600118.1L189E187-L189 PolarHBondContact O-N 3.1Å
188S34.5Very low31.8Very low69 Ų69142.1 Ų142.148%0.48374%0.744SS.*  trans-7483.2168.369.80000110.5V190S188-V190 PolarHBondContact O-N 3.23Å
189L31.5Very low32.5Very low102 Ų102139.9 Ų139.953%0.53474%0.737SS.*  trans-63.198.5165.7-72.3167.7000108.6E187 K191 W206E187-L189 PolarHBondContact O-N 3.1Å; L189-K191 PolarHBondContact O-N 3.06Å; L189-W206 HydrophobicContact CB-CD2 4.14Å; L189-W206 HydrophobicContact CB-CE3 3.45Å; L189-W206 VanDerWaalsContact CB-CE3 3.45Å; L189-W206 HydrophobicContact CB-CH2 3.68Å; L189-W206 HydrophobicContact CB-CZ2 4.37Å; L189-W206 HydrophobicContact CB-CZ3 3.22Å; L189-W206 HydrophobicContact CD1-CD2 3.68Å; L189-W206 HydrophobicContact CD1-CE3 3.91Å; L189-W206 HydrophobicContact CD1-CG 4.2Å; L189-W206 HydrophobicContact CD1-CH2 3.96Å; L189-W206 HydrophobicContact CD1-CZ2 3.79Å; L189-W206 HydrophobicContact CD1-CZ3 4.07Å; L189-W206 HydrophobicContact CD2-CB 3.95Å; L189-W206 HydrophobicContact CD2-CD2 3.83Å; L189-W206 HydrophobicContact CD2-CE3 3.7Å; L189-W206 HydrophobicContact CD2-CG 4Å; L189-W206 HydrophobicContact CD2-CZ3 4.38Å; L189-W206 HydrophobicContact CG-CD2 4.11Å; L189-W206 HydrophobicContact CG-CE3 3.89Å; L189-W206 HydrophobicContact CG-CH2 4.41Å; L189-W206 HydrophobicContact CG-CZ3 4.08Å
190V38.9Very low33.3Very low95 Ų95142 Ų14258%0.57674%0.741SS**  trans-70.9113.5-178-177.30000109.2S188 M192S188-V190 PolarHBondContact O-N 3.23Å; V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 HydrophobicContact CG1-CG 4.18Å; V190-M192 HydrophobicContact CG1-SD 4.41Å; V190-M192 PolarHBondContact O-N 3.2Å
191K34.5Very low34.3Very low173 Ų173141.4 Ų141.475%0.75274%0.737SS**  trans-73.985173.5-158.4177.1-170.7178.50108.7L189 N193L189-K191 PolarHBondContact O-N 3.06Å; K191-N193 PolarHBondContact O-N 3.48Å
192M32.5Very low34.8Very low151 Ų151136 Ų13674%0.74472%0.724SS**  trans-68.3117173.9-69.9-85.2-84.700108.6V190 I194V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 HydrophobicContact CG1-CG 4.18Å; V190-M192 HydrophobicContact CG1-SD 4.41Å; V190-M192 PolarHBondContact O-N 3.2Å; M192-I194 VanDerWaalsContact C-N 3.3Å; M192-I194 HydrophobicContact CB-CG1 4.43Å; M192-I194 PolarHBondContact O-N 2.99Å
193N30.8Very low35.5Very low136 Ų136138.4 Ų138.473%0.72772%0.721SS**  trans-68.789.8167.4-91.3-11.8000108K191 V195K191-N193 PolarHBondContact O-N 3.48Å; N193-V195 PolarHBondContact O-N 3.39Å
194I31.8Very low35.9Very low148 Ų148134.7 Ų134.776%0.75972%0.72SS**  trans-76.4120.7171.2-58.8175.9000107.5M192 S196M192-I194 VanDerWaalsContact C-N 3.3Å; M192-I194 HydrophobicContact CB-CG1 4.43Å; M192-I194 PolarHBondContact O-N 2.99Å; I194-S196 PolarHBondContact O-N 3.03Å
195V35.8Very low36.6Very low120 Ų120138.9 Ų138.973%0.72772%0.722SS**  trans-58124.4173.1172.30000109.2N193 D197N193-V195 PolarHBondContact O-N 3.39Å; V195-D197 PolarHBondContact O-N 3.46Å
196S38Very low37Very low106 Ų106140.6 Ų140.674%0.74172%0.719SS**  trans23.887.6154.8-43.60000117.6I194I194-S196 PolarHBondContact O-N 3.03Å
197D37Very low37.3Very low154 Ų154144.7 Ų144.782%0.82472%0.718SS**  trans-133126.4152-113.5-28.6000107.8V195 N199V195-D197 PolarHBondContact O-N 3.46Å; D197-N199 PolarHBondContact O-N 2.91Å
198D40.2Very low37.7Very low171 Ų171141 Ų14191%0.91471%0.708SS**SBendtrans-71.649-163.2-73.4-42.5000114.7
199N40.8Very low37.6Very low127 Ų127141 Ų14168%0.67971%0.707SS**  trans-132.594.2173.6-138.9-15.8000111D197 E201D197-N199 PolarHBondContact O-N 2.91Å; N199-E201 PolarHBondContact O-N 3.23Å
200L43.8Very low38.2Very low161 Ų161141 Ų14184%0.84371%0.713SS**THydrogen-bonded Turntrans-59.8-11.2-167.1-175.159.9000115.1
201E43Very low38.4Very low166 Ų166141.6 Ų141.678%0.77672%0.722SS**THydrogen-bonded Turntrans-95.6-10.2-167.9-71.7168.7163.300115.2N199N199-E201 PolarHBondContact O-N 3.23Å
202D38.1Very low38.6Very low105 Ų105140.2 Ų140.256%0.56172%0.722SS**  trans-97.68-172.7-142.312.3000114.8T204D202-T204 VanDerWaalsContact C-N 3.28Å; D202-T204 PolarHBondContact O-N 3.01Å
203R42Very low38.7Very low208 Ų208140.1 Ų140.179%0.78572%0.723SS**THydrogen-bonded Turntrans-73.4-9.1-178.1-99-178.1136.9-174-2.3115.5
204T37.5Very low38.8Very low123 Ų123136.5 Ų136.576%0.75572%0.718SS**THydrogen-bonded Turntrans-101.10.1-175.430.70000114.5D202 W206D202-T204 VanDerWaalsContact C-N 3.28Å; D202-T204 PolarHBondContact O-N 3.01Å; T204-W206 PolarHBondContact O-N 2.76Å
205R41Very low39.1Very low183 Ų183135.7 Ų135.769%0.69173%0.726SS**  trans-91.895.2-179.8-155.4169.7-160145.73.9111.7R207R205-R207 PolarHBondContact O-N 3.4Å; R205-R207 VanDerWaalsContact O-N 3.09Å
206W38.8Very low39Very low162 Ų162139.6 Ų139.661%0.61473%0.733SS**  trans-53.9113.6162.5-57.7107.8000109.1L189 T204L189-W206 HydrophobicContact CB-CD2 4.14Å; L189-W206 HydrophobicContact CB-CE3 3.45Å; L189-W206 VanDerWaalsContact CB-CE3 3.45Å; L189-W206 HydrophobicContact CB-CH2 3.68Å; L189-W206 HydrophobicContact CB-CZ2 4.37Å; L189-W206 HydrophobicContact CB-CZ3 3.22Å; L189-W206 HydrophobicContact CD1-CD2 3.68Å; L189-W206 HydrophobicContact CD1-CE3 3.91Å; L189-W206 HydrophobicContact CD1-CG 4.2Å; L189-W206 HydrophobicContact CD1-CH2 3.96Å; L189-W206 HydrophobicContact CD1-CZ2 3.79Å; L189-W206 HydrophobicContact CD1-CZ3 4.07Å; L189-W206 HydrophobicContact CD2-CB 3.95Å; L189-W206 HydrophobicContact CD2-CD2 3.83Å; L189-W206 HydrophobicContact CD2-CE3 3.7Å; L189-W206 HydrophobicContact CD2-CG 4Å; L189-W206 HydrophobicContact CD2-CZ3 4.38Å; L189-W206 HydrophobicContact CG-CD2 4.11Å; L189-W206 HydrophobicContact CG-CE3 3.89Å; L189-W206 HydrophobicContact CG-CH2 4.41Å; L189-W206 HydrophobicContact CG-CZ3 4.08Å; T204-W206 PolarHBondContact O-N 2.76Å
207R39Very low38.7Very low192 Ų192142.4 Ų142.473%0.72574%0.736SS**PPolyproline II helixtrans-101.9137172.6-64.7-159.3-171.3-139.45.5109.7R205R205-R207 PolarHBondContact O-N 3.4Å; R205-R207 VanDerWaalsContact O-N 3.09Å
208T41.5Very low38.7Very low108 Ų108143 Ų14366%0.66374%0.74SS**PPolyproline II helixtrans-57.6137.7173.9-44.10000110.3L212T208-L212 HydrophobicContact CG2-CD1 3.98Å
209C32.4Very low38.4Very low69 Ų69144.4 Ų144.447%0.46674%0.737SS.*PPolyproline II helixtrans-48.1127.8-179.2-105.50000111.7S211 L212C209-S211 PolarHBondContact O-N 3.43Å; C209-L212 PolarHBondContact O-N 3.42Å
210P44.5Very low37.8Very low102 Ų102145.4 Ų145.466%0.66274%0.743SS**G310 helixtrans-57.2-12.6-179.8-28.535.6000115.6L212 I213P210-L212 PolarHBondContact O-N 2.94Å; P210-I213 PolarHBondContact O-N 2.77Å
211S43.5Very low37.1Very low109 Ų109145.5 Ų145.576%0.76274%0.743SS**G310 helixtrans-58.5-11.7173.7-17.80000114C209C209-S211 PolarHBondContact O-N 3.43Å
212L39.1Very low36.3Very low144 Ų144148.1 Ų148.175%0.75475%0.747SS**G310 helixtrans-99.5-1.5173.1-66.6174.5000114.3T208 C209 P210T208-L212 HydrophobicContact CG2-CD1 3.98Å; C209-L212 PolarHBondContact O-N 3.42Å; P210-L212 PolarHBondContact O-N 2.94Å
213I34.6Very low35.9Very low148 Ų148151 Ų15176%0.75976%0.759SS**  trans-110.872.6179.5-54170.3000108.1P210P210-I213 PolarHBondContact O-N 2.77Å
214G32.6Very low35.4Very low61 Ų61147.7 Ų147.763%0.62976%0.757SS**  trans-136.1117.217500000110.6
215S37Very low35.2Very low130 Ų130146.9 Ų146.991%0.90976%0.756SS**  trans81.763.9153.9-44.20000117.9
216K34.4Very low34.9Very low203 Ų203144.6 Ų144.688%0.88377%0.768SS**  trans-87.4102.6144.1-89.9-178.1176.71750108.1
217M32.7Very low34.7Very low165 Ų165141.6 Ų141.681%0.81377%0.768SS**  155.683.9125.463.2-159.2154.500113.1
218D36Very low34.6Very low167 Ų167137.6 Ų137.689%0.89377%0.769SS**  trans-126.8100146.8-81.4-45.8000107.4N220D218-N220 VanDerWaalsContact C-N 3.27Å; D218-N220 PolarHBondContact O-N 3.3Å
219K33.5Very low34.5Very low199 Ų199140.9 Ų140.987%0.86578%0.78SS**  trans-8172.9-179.5-64.4179.7-176.7177.20109.2
220N28.3Very low34.6Very low148 Ų148143.6 Ų143.679%0.79179%0.794SS**  trans-172.3108.5159.3-105.6-16.8000108.4D218D218-N220 VanDerWaalsContact C-N 3.27Å; D218-N220 PolarHBondContact O-N 3.3Å
221I28.7Very low34.5Very low164 Ų164145.9 Ų145.984%0.84180%0.8SS**  trans145.365.7164.3-69.9149.9000104.4
222Y27.5Very low34.6Very low221 Ų221146.3 Ų146.387%0.86780%0.8SS**  trans-126.399167.9-144.1-88000102.9
223M29.3Very low34.9Very low164 Ų164145.1 Ų145.181%0.80880%0.799SS**SBendtrans160.772158.2-86-40.6170.100109.5
224N31Very low35.7Very low140 Ų140148.7 Ų148.775%0.74980%0.803SS**  trans161.673.9156.446.7-5.2000112.5
225S34.1Very low36.8Very low106 Ų106153.9 Ų153.974%0.74181%0.811SS**  trans-159.789.3153.8-77.20000109.6T227S225-T227 PolarHBondContact O-N 3.31Å
226S34.5Very low37.9Very low135 Ų135152.4 Ų152.494%0.94480%0.8SS**  trans-71.149.2156.7-52.10000110
227T34.9Very low39.3Very low98 Ų98149.9 Ų149.960%0.60180%0.795SS**  trans-102.493.1178.2-46.40000105.8S225 M229S225-T227 PolarHBondContact O-N 3.31Å; T227-M229 PolarHBondContact O-N 3.46Å
228S36.3Very low41.5Very low108 Ų108150.3 Ų150.376%0.75580%0.795SS**  trans-49.4112.2171.9-168.30000108.4T230S228-T230 PolarHBondContact O-N 2.9Å
229M38.8Very low43.8Very low178 Ų178147.3 Ų147.388%0.87778%0.775SS**  trans-69.795.8178.1-69.2-72.4-161.700107.5T227 L231T227-M229 PolarHBondContact O-N 3.46Å; M229-L231 PolarHBondContact O-N 3.48Å; M229-L231 VanDerWaalsContact O-N 3.1Å
230T36Very low46.4Very low125 Ų125140.8 Ų140.877%0.76775%0.754SS**  trans-58112.9169.3-22.90000107.5S228S228-T230 PolarHBondContact O-N 2.9Å
231L41.8Very low49.5Very low151 Ų151142.3 Ų142.379%0.79175%0.748SS**  trans-48.5137.5166.7-87149.8000108.1M229 T233M229-L231 PolarHBondContact O-N 3.48Å; M229-L231 VanDerWaalsContact O-N 3.1Å; L231-T233 PolarHBondContact O-N 2.82Å
232P46.4Very low52.7Low118 Ų118134.6 Ų134.677%0.76671%0.709SS**  trans-52116.7-1799.7-15.2000107.5R234P232-R234 PolarHBondContact O-N 2.92Å
233T44.7Very low55.7Low118 Ų118128.4 Ų128.472%0.72469%0.688SS**  trans-52.5108176.136.20000105.7L231 E235L231-T233 PolarHBondContact O-N 2.82Å; T233-E235 VanDerWaalsContact C-N 3.28Å; T233-E235 PolarHBondContact O-N 3.41Å
234R51.3Low58.7Low223 Ų223123.2 Ų123.284%0.84267%0.671SS**  trans-39.498177-177.5179.5173.9148.2-0.7107.1P232 S236P232-R234 PolarHBondContact O-N 2.92Å; R234-S236 PolarHBondContact O-N 3.48Å
235E56.3Low61.7Low171 Ų171118.8 Ų118.880%0.79965%0.651SS**  trans-52.7119.5177.8-77.7179.4165.500103.9T233 I237T233-E235 VanDerWaalsContact C-N 3.28Å; T233-E235 PolarHBondContact O-N 3.41Å; E235-I237 PolarHBondContact O-N 3.36Å
236S60.3Low64.5Low99 Ų99117.2 Ų117.269%0.69264%0.644SS**  trans-64.589.8-170.547.90000107.3R234 E238R234-S236 PolarHBondContact O-N 3.48Å; S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 PolarHBondContact O-N 3.3Å
237I63.7Low67.3Low149 Ų149116.8 Ų116.876%0.76463%0.627SS**  trans-57.6102.6171.1-62.1172.7000104.4E235 Q239E235-I237 PolarHBondContact O-N 3.36Å; I237-Q239 PolarHBondContact O-N 3.19Å
238E77.5Confident70Confident175 Ų175114.5 Ų114.582%0.81861%0.613SS**  trans-65.5103.2179.6-67.4-170.3169.800107.2S236S236-E238 VanDerWaalsContact C-N 3.29Å; S236-E238 PolarHBondContact O-N 3.3Å
239Q84.5Confident72.7Confident103 Ų103109.6 Ų109.648%0.48158%0.578SS.*  trans-65.7130.4178.6-68.9179.9-20.600109I237 R241 V248I237-Q239 PolarHBondContact O-N 3.19Å; Q239-R241 PolarHBondContact O-N 3.43Å; Q239-V248 HydrophobicContact CB-CB 4.38Å; Q239-V248 HydrophobicContact CB-CG1 4.04Å
240P89Confident75.2Confident63 Ų63108 Ų10841%0.40956%0.563SS.*  trans-61.7135.7179.425.5-33.2000110V249 V261P240-V249 PolarHBondContact O-N 3.31Å; P240-V261 HydrophobicContact CB-CB 4.33Å; P240-V261 HydrophobicContact CB-CG1 4.34Å; P240-V261 HydrophobicContact CB-CG2 3.98Å
241R93.4Very high77.6Confident179 Ų179107.8 Ų107.868%0.67556%0.564SS**BIsolated β-bridgetrans-106.1144.5178.8-64.6-179.1-173.1152.72.9111.1Q239 H243 E247 V248Q239-R241 PolarHBondContact O-N 3.43Å; R241-H243 PolarHBondContact O-N 3.21Å; R241-E247 CarbonylContact C-O 3.5Å; R241-E247 VanDerWaalsContact CA-O 3.29Å; R241-E247 WeakPolarHBondContact CA-O 3.41Å; R241-V248 HydrophobicContact CG-CG1 4.18Å
242C95.4Very high79.9Confident2 Ų2107.6 Ų107.61%0.01456%0.563CS.*BIsolated β-bridgetrans-65.5128.1177.3-178.80000109.3A244 C245 A246 E247 V249 V261 H263 C266C242-A244 PolarHBondContact O-N 2.95Å; C242-A244 PolarHBondContact SG-N 3.22Å; C242-C245 WeakPolarHBondContact CB-SG 3.29Å; C242-A246 WeakPolarHBondContact O-CA 3.34Å; C242-A246 PolarHBondContact O-N 3.02Å; C242-E247 PolarHBondContact N-O 3.37Å; C242-V249 HydrophobicContact CB-CG2 3.45Å; C242-V249 VanDerWaalsContact CB-CG2 3.45Å; C242-V249 VanDerWaalsContact N-CG2 3.31Å; C242-V261 CarbonylContact C-O 3.46Å; C242-V261 VanDerWaalsContact CA-O 3.27Å; C242-V261 WeakPolarHBondContact CA-O 3.49Å; C242-H263 VanDerWaalsContact CB-CE1 3.48Å; C242-H263 WeakPolarHBondContact CB-CE1 3.46Å; C242-H263 VanDerWaalsContact CB-ND1 3.29Å; C242-H263 WeakPolarHBondContact CB-ND1 3.47Å; C242-H263 PolarHBondContact SG-N 3.05Å; C242-H263 PolarHBondContact SG-ND1 2.76Å; C242-C266 VanDerWaalsContact SG-CB 3.59Å
243H91Very high81.8Confident91 Ų91106.5 Ų106.542%0.42155%0.548SS..THydrogen-bonded Turntrans-68.8-23.6178.8-17370.8000112.8R241 R260 V261 Y262R241-H243 PolarHBondContact O-N 3.21Å; H243-R260 HydrophobicContact CB-CB 4.32Å; H243-R260 PolarHBondContact CE1-NH1 3.39Å; H243-R260 PolarHBondContact NE2-NH1 3.23Å; H243-V261 PolarHBondContact N-O 3.2Å; H243-Y262 HydrophobicContact CB-CD1 4.21Å; H243-Y262 HydrophobicContact CB-CE1 3.67Å; H243-Y262 HydrophobicContact CB-CE2 4.26Å; H243-Y262 AromaticContact CD2-CZ 3.93Å; H243-Y262 PolarHBondContact CD2-OH 3.37Å; H243-Y262 VanDerWaalsContact CD2-OH 3.3Å
244A91.8Very high83.9Confident56 Ų56102.6 Ų102.646%0.46353%0.527SS..THydrogen-bonded Turntrans-88.4-38.9-178.700000114.3C242 Y262 C266C242-A244 PolarHBondContact O-N 2.95Å; C242-A244 PolarHBondContact SG-N 3.22Å; A244-Y262 HydrophobicContact CB-CD1 3.88Å; A244-Y262 HydrophobicContact CB-CE1 4.1Å; A244-C266 HydrophobicContact CB-CB 4Å
245C94.1Very high85.8Confident47 Ų4793.2 Ų93.232%0.31849%0.493SS..THydrogen-bonded Turntrans-111.7-4.4179.366.60000114.4C242 E247 H263C242-C245 WeakPolarHBondContact CB-SG 3.29Å; C245-E247 PolarHBondContact O-N 2.92Å; C245-H263 PolarHBondContact SG-CE1 3.14Å; C245-H263 PolarHBondContact SG-ND1 3.31Å
246A91.8Very high87.4Confident72 Ų7292 Ų9260%0.59549%0.488SS*.  trans61.84.6-17700000116C242C242-A246 WeakPolarHBondContact O-CA 3.34Å; C242-A246 PolarHBondContact O-N 3.02Å
247E93.7Very high88.5Confident126 Ų12687.5 Ų87.559%0.58946%0.456SS*.SBendtrans-81.6157.2175.9-65.3175.4178.900112.1R241 C242 C245R241-E247 CarbonylContact C-O 3.5Å; R241-E247 VanDerWaalsContact CA-O 3.29Å; R241-E247 WeakPolarHBondContact CA-O 3.41Å; C242-E247 PolarHBondContact N-O 3.37Å; C245-E247 PolarHBondContact O-N 2.92Å
248V92.4Very high89.5Confident51 Ų5184 Ų8431%0.30944%0.438SS..BIsolated β-bridgetrans-63.2136.6175.7-65.60000110.6Q239 R241 H263Q239-V248 HydrophobicContact CB-CB 4.38Å; Q239-V248 HydrophobicContact CB-CG1 4.04Å; R241-V248 HydrophobicContact CG-CG1 4.18Å; V248-H263 PolarHBondContact O-NE2 3.15Å
249V92.1Very high89.8Confident4 Ų478.9 Ų78.92%0.02443%0.433CS..  trans-109.2118.8179.9-1700000108.3P240 C242 E253 A254 V261P240-V249 PolarHBondContact O-N 3.31Å; C242-V249 HydrophobicContact CB-CG2 3.45Å; C242-V249 VanDerWaalsContact CB-CG2 3.45Å; C242-V249 VanDerWaalsContact N-CG2 3.31Å; V249-E253 HydrophobicContact CG1-CB 4.36Å; V249-A254 VanDerWaalsContact CG1-CA 3.41Å; V249-A254 HydrophobicContact CG1-CB 3.79Å; V249-V261 HydrophobicContact CB-CG1 3.96Å; V249-V261 HydrophobicContact CG1-CG1 4.13Å; V249-V261 HydrophobicContact CG2-CG1 4.04Å
250Y91.1Very high90Very high146 Ų14678.8 Ų78.857%0.57343%0.428SS*.  trans-70.1146.6174.3-68-78000110.3L252 E253 A254Y250-L252 PolarHBondContact O-N 3.13Å; Y250-E253 PolarHBondContact O-N 3.13Å; Y250-A254 PolarHBondContact O-N 3.14Å
251P88.1Confident90.1Very high120 Ų12076.8 Ų76.878%0.77942%0.415SS*.THydrogen-bonded Turntrans-50.9-31.8-178.2-3035.6000114.8E253P251-E253 VanDerWaalsContact C-N 3.34Å; P251-E253 PolarHBondContact O-N 3.48Å
252L89.1Confident90.2Very high147 Ų14768.6 Ų68.677%0.7738%0.384SS*.THydrogen-bonded Turntrans-68.4-29178.8-173.662.3000113.8Y250 K264Y250-L252 PolarHBondContact O-N 3.13Å; L252-K264 WeakPolarHBondContact O-CE 3.35Å; L252-K264 PolarHBondContact O-NZ 3.45Å
253E87.2Confident90.2Very high95 Ų9569.2 Ų69.244%0.44439%0.387SS..THydrogen-bonded Turntrans-106.4-3.8-178.4-61.2-166.1158.900113.4V249 Y250 P251 L255 H263 K264V249-E253 HydrophobicContact CG1-CB 4.36Å; Y250-E253 PolarHBondContact O-N 3.13Å; P251-E253 VanDerWaalsContact C-N 3.34Å; P251-E253 PolarHBondContact O-N 3.48Å; E253-L255 PolarHBondContact O-N 3.42Å; E253-H263 IonicContact OE2-CD2 3.25Å; E253-K264 PolarHBondContact O-N 3.35Å
254A88.8Confident90.2Very high35 Ų3570.1 Ų70.129%0.28939%0.389SS..EExtended strand (participates in β ladder)trans-69.3118.1-177.700000111.7V249 Y250 V261V249-A254 VanDerWaalsContact CG1-CA 3.41Å; V249-A254 HydrophobicContact CG1-CB 3.79Å; Y250-A254 PolarHBondContact O-N 3.14Å; A254-V261 HydrophobicContact CB-CG1 3.99Å
255L90.4Very high90.2Very high26 Ų2672.4 Ų72.414%0.13640%0.397CS..EExtended strand (participates in β ladder)trans-105.4113.1164.1-66.7-169.8000109.1E253 V261 Y262 K264 F267 L278E253-L255 PolarHBondContact O-N 3.42Å; L255-V261 CarbonylContact O-C 3.52Å; L255-V261 WeakPolarHBondContact O-CA 3.5Å; L255-Y262 WeakPolarHBondContact CB-O 3.23Å; L255-Y262 PolarHBondContact N-O 3.16Å; L255-Y262 PolarHBondContact O-N 2.98Å; L255-K264 HydrophobicContact CD1-CB 4.21Å; L255-K264 HydrophobicContact CD1-CG 3.92Å; L255-K264 HydrophobicContact CD2-CG 3.83Å; L255-K264 HydrophobicContact CG-CB 4.37Å; L255-K264 HydrophobicContact CG-CG 3.64Å; L255-F267 HydrophobicContact CD1-CB 3.95Å; L255-F267 HydrophobicContact CD1-CD1 4.39Å; L255-F267 HydrophobicContact CD1-CG 4.36Å; L255-L278 HydrophobicContact CD2-CD1 4.13Å; L255-L278 HydrophobicContact CD2-CG 4.45Å
256Q89.2Confident90.3Very high145 Ų14571 Ų7168%0.67839%0.388SS*.EExtended strand (participates in β ladder)trans-95122.7176.4-163.2168.73000110.4R260 V261Q256-R260 CarbonylContact C-O 3.54Å; Q256-R260 WeakPolarHBondContact CA-O 3.25Å; Q256-V261 HydrophobicContact CG-CG2 4.37Å
257T85.1Confident90.5Very high5 Ų567.6 Ų67.63%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-138127.8179.660.60000110G259 R260 Y262 F267 L278 Y281T257-G259 PolarHBondContact O-N 3.39Å; T257-G259 VanDerWaalsContact O-N 3.08Å; T257-R260 PolarHBondContact N-O 3.15Å; T257-R260 WeakPolarHBondContact O-CA 3.38Å; T257-R260 WeakPolarHBondContact O-CB 3.33Å; T257-R260 PolarHBondContact O-N 3.3Å; T257-R260 VanDerWaalsContact O-O 3.11Å; T257-Y262 WeakPolarHBondContact OG1-CD2 3.48Å; T257-Y262 WeakPolarHBondContact OG1-CE2 3.43Å; T257-F267 HydrophobicContact CG2-CD2 4.32Å; T257-F267 HydrophobicContact CG2-CE1 4.42Å; T257-F267 HydrophobicContact CG2-CE2 3.67Å; T257-F267 HydrophobicContact CG2-CZ 3.73Å; T257-L278 HydrophobicContact CG2-CD2 3.37Å; T257-Y281 WeakPolarHBondContact CB-OH 3.42Å; T257-Y281 HydrophobicContact CG2-CE1 4.32Å; T257-Y281 HydrophobicContact CG2-CE2 4.41Å; T257-Y281 WeakPolarHBondContact CG2-OH 3.43Å
258I83.3Confident90.6Very high75 Ų7565.4 Ų65.439%0.38535%0.348SS..THydrogen-bonded Turntrans41.850.1178.1-41.7-172.6000112.5R260 V283I258-R260 VanDerWaalsContact C-N 3.26Å; I258-R260 PolarHBondContact O-N 3.41Å; I258-V283 HydrophobicContact CD1-CB 3.67Å; I258-V283 HydrophobicContact CD1-CG1 4.3Å; I258-V283 HydrophobicContact CD1-CG2 3.46Å; I258-V283 VanDerWaalsContact CD1-CG2 3.46Å; I258-V283 HydrophobicContact CG1-CG2 4.33Å
259G84.4Confident90.7Very high69 Ų6963 Ų6371%0.71133%0.334SS*.THydrogen-bonded Turntrans71.87.1179.500000116.3T257T257-G259 PolarHBondContact O-N 3.39Å; T257-G259 VanDerWaalsContact O-N 3.08Å
260R89.1Confident90.8Very high100 Ų10067.4 Ų67.438%0.37735%0.354SS..EExtended strand (participates in β ladder)trans-116148.5177.5-61.9-177.5-177.1-153.3-2.3110.6H243 Q256 T257 I258 Y262 G286H243-R260 HydrophobicContact CB-CB 4.32Å; H243-R260 PolarHBondContact CE1-NH1 3.39Å; H243-R260 PolarHBondContact NE2-NH1 3.23Å; Q256-R260 CarbonylContact C-O 3.54Å; Q256-R260 WeakPolarHBondContact CA-O 3.25Å; T257-R260 PolarHBondContact N-O 3.15Å; T257-R260 WeakPolarHBondContact O-CA 3.38Å; T257-R260 WeakPolarHBondContact O-CB 3.33Å; T257-R260 PolarHBondContact O-N 3.3Å; T257-R260 VanDerWaalsContact O-O 3.11Å; I258-R260 VanDerWaalsContact C-N 3.26Å; I258-R260 PolarHBondContact O-N 3.41Å; R260-Y262 HydrophobicContact CB-CD2 4.45Å; R260-Y262 HydrophobicContact CB-CE2 3.68Å; R260-G286 PolarHBondContact NH1-O 3.49Å
261V91.7Very high90.9Very high22 Ų2266.1 Ų66.113%0.13335%0.353CS..EExtended strand (participates in β ladder)trans-106.5139.2178.3-175.20000109.2P240 C242 H243 V249 A254 L255 Q256P240-V261 HydrophobicContact CB-CB 4.33Å; P240-V261 HydrophobicContact CB-CG1 4.34Å; P240-V261 HydrophobicContact CB-CG2 3.98Å; C242-V261 CarbonylContact C-O 3.46Å; C242-V261 VanDerWaalsContact CA-O 3.27Å; C242-V261 WeakPolarHBondContact CA-O 3.49Å; H243-V261 PolarHBondContact N-O 3.2Å; V249-V261 HydrophobicContact CB-CG1 3.96Å; V249-V261 HydrophobicContact CG1-CG1 4.13Å; V249-V261 HydrophobicContact CG2-CG1 4.04Å; A254-V261 HydrophobicContact CB-CG1 3.99Å; L255-V261 CarbonylContact O-C 3.52Å; L255-V261 WeakPolarHBondContact O-CA 3.5Å; Q256-V261 HydrophobicContact CG-CG2 4.37Å
262Y94.9Very high91.3Very high7 Ų763.1 Ų63.13%0.02734%0.335CS..EExtended strand (participates in β ladder)trans-134.2153.7175.8-63-96.7000109.3H243 A244 L255 T257 R260 F267H243-Y262 HydrophobicContact CB-CD1 4.21Å; H243-Y262 HydrophobicContact CB-CE1 3.67Å; H243-Y262 HydrophobicContact CB-CE2 4.26Å; H243-Y262 AromaticContact CD2-CZ 3.93Å; H243-Y262 PolarHBondContact CD2-OH 3.37Å; H243-Y262 VanDerWaalsContact CD2-OH 3.3Å; A244-Y262 HydrophobicContact CB-CD1 3.88Å; A244-Y262 HydrophobicContact CB-CE1 4.1Å; L255-Y262 WeakPolarHBondContact CB-O 3.23Å; L255-Y262 PolarHBondContact N-O 3.16Å; L255-Y262 PolarHBondContact O-N 2.98Å; T257-Y262 WeakPolarHBondContact OG1-CD2 3.48Å; T257-Y262 WeakPolarHBondContact OG1-CE2 3.43Å; R260-Y262 HydrophobicContact CB-CD2 4.45Å; R260-Y262 HydrophobicContact CB-CE2 3.68Å; Y262-F267 HydrophobicContact CD1-CD2 4.36Å; Y262-F267 AromaticContact CD2-CD2 3.9Å; Y262-F267 HydrophobicContact CD2-CD2 3.9Å; Y262-F267 HydrophobicContact CD2-CE2 4.38Å; Y262-F267 HydrophobicContact CE2-CD2 4.33Å; Y262-F267 HydrophobicContact CE2-CE2 4.47Å; Y262-F267 AromaticContact CG-CD2 3.93Å; Y262-F267 HydrophobicContact CG-CD2 3.93Å
263H95.2Very high91.5Very high14 Ų1461.7 Ų61.77%0.06532%0.324CS..EExtended strand (participates in β ladder)trans-68.7153.1160.1-56.192.2000110.3C242 C245 V248 E253 T265 C266 F267C242-H263 VanDerWaalsContact CB-CE1 3.48Å; C242-H263 WeakPolarHBondContact CB-CE1 3.46Å; C242-H263 VanDerWaalsContact CB-ND1 3.29Å; C242-H263 WeakPolarHBondContact CB-ND1 3.47Å; C242-H263 PolarHBondContact SG-N 3.05Å; C242-H263 PolarHBondContact SG-ND1 2.76Å; C245-H263 PolarHBondContact SG-CE1 3.14Å; C245-H263 PolarHBondContact SG-ND1 3.31Å; V248-H263 PolarHBondContact O-NE2 3.15Å; E253-H263 IonicContact OE2-CD2 3.25Å; H263-T265 PolarHBondContact O-N 3.08Å; H263-C266 HydrophobicContact CB-CB 3.85Å; H263-C266 PolarHBondContact O-N 3.15Å; H263-F267 PolarHBondContact O-N 2.93Å
264K91.3Very high91.8Very high111 Ų11166.1 Ų66.148%0.48334%0.336SS..THydrogen-bonded Turntrans-50.4-40.3172.4-69.2174.1-174.7169.10113.4L252 E253 L255 V275L252-K264 WeakPolarHBondContact O-CE 3.35Å; L252-K264 PolarHBondContact O-NZ 3.45Å; E253-K264 PolarHBondContact O-N 3.35Å; L255-K264 HydrophobicContact CD1-CB 4.21Å; L255-K264 HydrophobicContact CD1-CG 3.92Å; L255-K264 HydrophobicContact CD2-CG 3.83Å; L255-K264 HydrophobicContact CG-CB 4.37Å; L255-K264 HydrophobicContact CG-CG 3.64Å; K264-V275 WeakPolarHBondContact O-CG1 3.49Å
265T92.3Very high92Very high103 Ų10368.6 Ų68.663%0.63235%0.347SS*.THydrogen-bonded Turntrans-79.5-23.7178.454.40000113.3H263H263-T265 PolarHBondContact O-N 3.08Å
266C95.2Very high92.1Very high19 Ų1967.9 Ų67.913%0.12834%0.344CS..THydrogen-bonded Turntrans-86.9-19.5-177.6-76.70000113.4C242 A244 H263 K268C242-C266 VanDerWaalsContact SG-CB 3.59Å; A244-C266 HydrophobicContact CB-CB 4Å; H263-C266 HydrophobicContact CB-CB 3.85Å; H263-C266 PolarHBondContact O-N 3.15Å; C266-K268 VanDerWaalsContact C-N 3.27Å; C266-K268 PolarHBondContact O-N 3.18Å
267F95.4Very high92.1Very high0 Ų065 Ų650%034%0.34CS..  trans-75.778.9177.4-168.5-114.7000110.6L255 T257 Y262 H263 L276 Y281 P288L255-F267 HydrophobicContact CD1-CB 3.95Å; L255-F267 HydrophobicContact CD1-CD1 4.39Å; L255-F267 HydrophobicContact CD1-CG 4.36Å; T257-F267 HydrophobicContact CG2-CD2 4.32Å; T257-F267 HydrophobicContact CG2-CE1 4.42Å; T257-F267 HydrophobicContact CG2-CE2 3.67Å; T257-F267 HydrophobicContact CG2-CZ 3.73Å; Y262-F267 HydrophobicContact CD1-CD2 4.36Å; Y262-F267 AromaticContact CD2-CD2 3.9Å; Y262-F267 HydrophobicContact CD2-CD2 3.9Å; Y262-F267 HydrophobicContact CD2-CE2 4.38Å; Y262-F267 HydrophobicContact CE2-CD2 4.33Å; Y262-F267 HydrophobicContact CE2-CE2 4.47Å; Y262-F267 AromaticContact CG-CD2 3.93Å; Y262-F267 HydrophobicContact CG-CD2 3.93Å; H263-F267 PolarHBondContact O-N 2.93Å; F267-L276 HydrophobicContact CD1-CB 3.62Å; F267-L276 WeakPolarHBondContact CD1-O 3.24Å; F267-L276 HydrophobicContact CE1-CB 3.55Å; F267-L276 HydrophobicContact CE1-CD1 4.49Å; F267-L276 HydrophobicContact CZ-CB 4.44Å; F267-L276 PolarHBondContact O-N 3.49Å; F267-Y281 AromaticContact CE1-CD1 3.91Å; F267-Y281 HydrophobicContact CE1-CD1 3.91Å; F267-Y281 HydrophobicContact CE1-CD2 4.37Å; F267-Y281 HydrophobicContact CE1-CE1 4.36Å; F267-Y281 AromaticContact CE1-CG 3.91Å; F267-Y281 HydrophobicContact CE1-CG 3.91Å; F267-Y281 HydrophobicContact CE2-CD2 4.34Å; F267-Y281 HydrophobicContact CE2-CE2 4.36Å; F267-Y281 AromaticContact CZ-CD1 3.75Å; F267-Y281 HydrophobicContact CZ-CD1 3.75Å; F267-Y281 AromaticContact CZ-CD2 3.5Å; F267-Y281 HydrophobicContact CZ-CD2 3.5Å; F267-Y281 AromaticContact CZ-CE1 3.98Å; F267-Y281 HydrophobicContact CZ-CE1 3.98Å; F267-Y281 AromaticContact CZ-CE2 3.72Å; F267-Y281 HydrophobicContact CZ-CE2 3.72Å; F267-Y281 AromaticContact CZ-CG 3.5Å; F267-Y281 HydrophobicContact CZ-CG 3.5Å; F267-Y281 AromaticContact CZ-CZ 3.96Å; F267-P288 HydrophobicContact CD2-CB 4.3Å; F267-P288 HydrophobicContact CD2-CG 4.22Å; F267-P288 HydrophobicContact CE2-CB 3.68Å; F267-P288 HydrophobicContact CE2-CG 4.05Å; F267-P288 HydrophobicContact CZ-CB 4.1Å
268K95.4Very high92Very high79 Ų7969.4 Ų69.434%0.34336%0.362SS..BIsolated β-bridgetrans-125.6151-17464.1179.3177-89.10112.1C266 H270 H273 R274C266-K268 VanDerWaalsContact C-N 3.27Å; C266-K268 PolarHBondContact O-N 3.18Å; K268-H270 PolarHBondContact O-N 2.85Å; K268-H273 HydrophobicContact CD-CB 4.07Å; K268-R274 CarbonylContact C-O 3.54Å; K268-R274 VanDerWaalsContact CA-O 3.24Å; K268-R274 WeakPolarHBondContact CA-O 3.29Å; K268-R274 WeakPolarHBondContact CB-O 3.49Å
269C96Very high92.1Very high0 Ų068.8 Ų68.80%038%0.375CS..  trans-58.3131.4176177.60000110.5Q271 C272 H273 R274 L276 P288 C290C269-Q271 PolarHBondContact O-N 3.23Å; C269-Q271 PolarHBondContact SG-N 2.93Å; C269-Q271 VanDerWaalsContact SG-N 3.38Å; C269-C272 VanDerWaalsContact CB-SG 3.52Å; C269-C272 VanDerWaalsContact SG-SG 3.62Å; C269-H273 WeakPolarHBondContact O-CA 3.17Å; C269-H273 PolarHBondContact O-N 3.18Å; C269-H273 PolarHBondContact O-ND1 3.41Å; C269-R274 PolarHBondContact N-O 3.26Å; C269-L276 HydrophobicContact CB-CD1 4.17Å; C269-L276 HydrophobicContact CB-CD2 4.21Å; C269-L276 HydrophobicContact CB-CG 4.31Å; C269-P288 CarbonylContact C-O 3.56Å; C269-P288 WeakPolarHBondContact CA-O 3.35Å; C269-C290 HydrophobicContact CB-CB 4.33Å; C269-C290 PolarHBondContact SG-N 3.14Å; C269-C290 VanDerWaalsContact SG-N 3.37Å; C269-C290 VanDerWaalsContact SG-SG 3.68Å
270H93.1Very high92.2Very high98 Ų9873 Ų7345%0.45437%0.374SS..THydrogen-bonded Turntrans-64.8-29178.3-167.680.2000112.6K268 H273 N287 P288 Y289K268-H270 PolarHBondContact O-N 2.85Å; H270-H273 PolarHBondContact O-CE1 3.25Å; H270-N287 HydrophobicContact CB-CB 4.23Å; H270-P288 PolarHBondContact N-O 3.46Å; H270-Y289 HydrophobicContact CB-CD1 4.29Å; H270-Y289 HydrophobicContact CB-CE1 3.68Å; H270-Y289 HydrophobicContact CB-CE2 4.31Å
271Q93.8Very high92.3Very high119 Ų11970 Ų7056%0.55636%0.362SS*.THydrogen-bonded Turntrans-84.8-45.5-178.9-171.165.918.300114.2C269 Y289 H293C269-Q271 PolarHBondContact O-N 3.23Å; C269-Q271 PolarHBondContact SG-N 2.93Å; C269-Q271 VanDerWaalsContact SG-N 3.38Å; Q271-Y289 HydrophobicContact CB-CD1 4.08Å; Q271-Y289 HydrophobicContact CB-CE1 4.07Å; Q271-H293 HydrophobicContact CB-CB 3.96Å; Q271-H293 HydrophobicContact CG-CB 4.3Å
272C96Very high92.3Very high57 Ų5770.1 Ų70.139%0.38536%0.364SS..THydrogen-bonded Turntrans-112.8-1.8-177.762.10000115.3C269 R274 H293C269-C272 VanDerWaalsContact CB-SG 3.52Å; C269-C272 VanDerWaalsContact SG-SG 3.62Å; C272-R274 PolarHBondContact O-N 2.91Å; C272-H293 WeakPolarHBondContact CB-CE1 3.42Å; C272-H293 PolarHBondContact SG-CE1 3.48Å; C272-H293 PolarHBondContact SG-ND1 2.87Å
273H93.4Very high92.1Very high117 Ų11771 Ų7154%0.54237%0.37SS..  trans58.211.8178.4-53.2-45.2000115.5K268 C269 H270K268-H273 HydrophobicContact CD-CB 4.07Å; C269-H273 WeakPolarHBondContact O-CA 3.17Å; C269-H273 PolarHBondContact O-N 3.18Å; C269-H273 PolarHBondContact O-ND1 3.41Å; H270-H273 PolarHBondContact O-CE1 3.25Å
274R94Very high91.8Very high188 Ų18872.4 Ų72.471%0.70938%0.375SS*.PPolyproline II helixtrans-66.2133.4169.4179176.7-93.6-140.3-1.5109.6K268 C269 C272 L276K268-R274 CarbonylContact C-O 3.54Å; K268-R274 VanDerWaalsContact CA-O 3.24Å; K268-R274 WeakPolarHBondContact CA-O 3.29Å; K268-R274 WeakPolarHBondContact CB-O 3.49Å; C269-R274 PolarHBondContact N-O 3.26Å; C272-R274 PolarHBondContact O-N 2.91Å; R274-L276 PolarHBondContact O-N 2.87Å
275V92.8Very high91.6Very high86 Ų8674.9 Ų74.952%0.52139%0.388SS..BIsolated β-bridgetrans-60126.8172.9-178.30000109K264K264-V275 WeakPolarHBondContact O-CG1 3.49Å
276L93Very high91.4Very high12 Ų1270.7 Ų70.76%0.06337%0.366CS..PPolyproline II helixtrans-95152.7-178-64.5170.7000109.9F267 C269 R274 P288 C290F267-L276 HydrophobicContact CD1-CB 3.62Å; F267-L276 WeakPolarHBondContact CD1-O 3.24Å; F267-L276 HydrophobicContact CE1-CB 3.55Å; F267-L276 HydrophobicContact CE1-CD1 4.49Å; F267-L276 HydrophobicContact CZ-CB 4.44Å; F267-L276 PolarHBondContact O-N 3.49Å; C269-L276 HydrophobicContact CB-CD1 4.17Å; C269-L276 HydrophobicContact CB-CD2 4.21Å; C269-L276 HydrophobicContact CB-CG 4.31Å; R274-L276 PolarHBondContact O-N 2.87Å; L276-P288 HydrophobicContact CD1-CB 3.8Å; L276-C290 HydrophobicContact CD2-CB 3.63Å
277S88.2Confident91.2Very high85 Ų8572.1 Ų72.159%0.59437%0.372SS*.PPolyproline II helixtrans-103.7150.5172-49.90000109.7G279 K280S277-G279 PolarHBondContact O-N 3.5Å; S277-K280 PolarHBondContact O-N 3.27Å; S277-K280 VanDerWaalsContact O-N 3.08Å
278L84.1Confident91.1Very high96 Ų9672.6 Ų72.650%0.50338%0.375SS..THydrogen-bonded Turntrans-57.8-15.8-179.5-68177.1000114.4L255 T257 Y281L255-L278 HydrophobicContact CD2-CD1 4.13Å; L255-L278 HydrophobicContact CD2-CG 4.45Å; T257-L278 HydrophobicContact CG2-CD2 3.37Å; L278-Y281 VanDerWaalsContact O-CE1 3.29Å; L278-Y281 WeakPolarHBondContact O-CE1 3.21Å
279G84.6Confident91Very high62 Ų6269.6 Ų69.664%0.63936%0.362SS*.THydrogen-bonded Turntrans-92.5-19.8177.400000115.9S277S277-G279 PolarHBondContact O-N 3.5Å
280K86Confident91Very high159 Ų15970.3 Ų70.369%0.69137%0.367SS*.SBendtrans-135.164.5-171.2-65.3-173.6-177.9-178.30111.7S277S277-K280 PolarHBondContact O-N 3.27Å; S277-K280 VanDerWaalsContact O-N 3.08Å
281Y92.7Very high91Very high36 Ų3670.7 Ų70.714%0.14137%0.369CS..  trans-142.5163.8173.577.2-82.2000111.4N125 T257 F267 L278 V283N125-Y281 PolarHBondContact ND2-O 3.01Å; T257-Y281 WeakPolarHBondContact CB-OH 3.42Å; T257-Y281 HydrophobicContact CG2-CE1 4.32Å; T257-Y281 HydrophobicContact CG2-CE2 4.41Å; T257-Y281 WeakPolarHBondContact CG2-OH 3.43Å; F267-Y281 AromaticContact CE1-CD1 3.91Å; F267-Y281 HydrophobicContact CE1-CD1 3.91Å; F267-Y281 HydrophobicContact CE1-CD2 4.37Å; F267-Y281 HydrophobicContact CE1-CE1 4.36Å; F267-Y281 AromaticContact CE1-CG 3.91Å; F267-Y281 HydrophobicContact CE1-CG 3.91Å; F267-Y281 HydrophobicContact CE2-CD2 4.34Å; F267-Y281 HydrophobicContact CE2-CE2 4.36Å; F267-Y281 AromaticContact CZ-CD1 3.75Å; F267-Y281 HydrophobicContact CZ-CD1 3.75Å; F267-Y281 AromaticContact CZ-CD2 3.5Å; F267-Y281 HydrophobicContact CZ-CD2 3.5Å; F267-Y281 AromaticContact CZ-CE1 3.98Å; F267-Y281 HydrophobicContact CZ-CE1 3.98Å; F267-Y281 AromaticContact CZ-CE2 3.72Å; F267-Y281 HydrophobicContact CZ-CE2 3.72Å; F267-Y281 AromaticContact CZ-CG 3.5Å; F267-Y281 HydrophobicContact CZ-CG 3.5Å; F267-Y281 AromaticContact CZ-CZ 3.96Å; L278-Y281 VanDerWaalsContact O-CE1 3.29Å; L278-Y281 WeakPolarHBondContact O-CE1 3.21Å; Y281-V283 HydrophobicContact CD2-CG2 3.85Å; Y281-V283 HydrophobicContact CE2-CG2 3.63Å
282S91.6Very high91Very high24 Ų2468.9 Ų68.917%0.16837%0.368CS..EExtended strand (participates in β ladder)trans-141.5148.1171.1-58.30000108.7Y289S282-Y289 PolarHBondContact N-O 3.11Å; S282-Y289 PolarHBondContact O-N 3.07Å
283V90.2Very high90.9Very high26 Ų2668.9 Ų68.916%0.15836%0.362CS..EExtended strand (participates in β ladder)trans-108.4127.9-176.7176.20000109.1I258 Y281 N287I258-V283 HydrophobicContact CD1-CB 3.67Å; I258-V283 HydrophobicContact CD1-CG1 4.3Å; I258-V283 HydrophobicContact CD1-CG2 3.46Å; I258-V283 VanDerWaalsContact CD1-CG2 3.46Å; I258-V283 HydrophobicContact CG1-CG2 4.33Å; Y281-V283 HydrophobicContact CD2-CG2 3.85Å; Y281-V283 HydrophobicContact CE2-CG2 3.63Å; V283-N287 WeakPolarHBondContact CA-O 3.25Å
284W89.2Confident91Very high43 Ų4365.2 Ų65.216%0.16334%0.343CS..EExtended strand (participates in β ladder)trans-123.3125.9173.4-178.5-84.1000108.3G286 N287 Y289 Y294 L297 F298 F301W284-G286 PolarHBondContact O-N 2.93Å; W284-G286 VanDerWaalsContact O-N 3.11Å; W284-N287 PolarHBondContact N-O 2.99Å; W284-N287 PolarHBondContact O-N 3.2Å; W284-Y289 HydrophobicContact CB-CD2 3.75Å; W284-Y289 HydrophobicContact CB-CE2 3.68Å; W284-Y289 HydrophobicContact CG-CE2 4.48Å; W284-Y294 HydrophobicContact CB-CD2 4.08Å; W284-Y294 HydrophobicContact CB-CE2 4.04Å; W284-Y294 AromaticContact CE3-CE2 3.92Å; W284-Y294 HydrophobicContact CE3-CE2 3.92Å; W284-L297 HydrophobicContact CB-CD1 4.44Å; W284-L297 HydrophobicContact CD2-CB 4.44Å; W284-L297 HydrophobicContact CG-CD1 4.35Å; W284-F298 AromaticContact CZ3-CD2 4Å; W284-F298 HydrophobicContact CZ3-CD2 4Å; W284-F301 HydrophobicContact CH2-CB 3.73Å; W284-F301 HydrophobicContact CZ2-CB 3.36Å; W284-F301 HydrophobicContact CZ2-CG 4.34Å
285E87Confident90.9Very high163 Ų16361 Ų6176%0.76233%0.334SS*.THydrogen-bonded Turntrans51.133.8-176.8-68.4178.917100114.2N287E285-N287 VanDerWaalsContact C-N 3.26Å; E285-N287 PolarHBondContact O-N 3.07Å
286G87.2Confident90.8Very high16 Ų1661.6 Ų61.617%0.16534%0.338CS..THydrogen-bonded Turntrans79.32.4-179.800000115.1R260 W284R260-G286 PolarHBondContact NH1-O 3.49Å; W284-G286 PolarHBondContact O-N 2.93Å; W284-G286 VanDerWaalsContact O-N 3.11Å
287N91.4Very high90.6Very high49 Ų4962.4 Ų62.426%0.26234%0.342SS..EExtended strand (participates in β ladder)trans-105.1137.9174.9-67.8-48.8000111H270 V283 W284 E285 Y289H270-N287 HydrophobicContact CB-CB 4.23Å; V283-N287 WeakPolarHBondContact CA-O 3.25Å; W284-N287 PolarHBondContact N-O 2.99Å; W284-N287 PolarHBondContact O-N 3.2Å; E285-N287 VanDerWaalsContact C-N 3.26Å; E285-N287 PolarHBondContact O-N 3.07Å; N287-Y289 HydrophobicContact CB-CE2 3.82Å; N287-Y289 WeakPolarHBondContact O-CD2 3.32Å; N287-Y289 WeakPolarHBondContact O-CE2 3.28Å
288P93.1Very high90.6Very high9 Ų961.2 Ų61.26%0.05833%0.326CS..EExtended strand (participates in β ladder)trans-79.5138178.832.3-34.5000111.7F267 C269 H270 L276F267-P288 HydrophobicContact CD2-CB 4.3Å; F267-P288 HydrophobicContact CD2-CG 4.22Å; F267-P288 HydrophobicContact CE2-CB 3.68Å; F267-P288 HydrophobicContact CE2-CG 4.05Å; F267-P288 HydrophobicContact CZ-CB 4.1Å; C269-P288 CarbonylContact C-O 3.56Å; C269-P288 WeakPolarHBondContact CA-O 3.35Å; H270-P288 PolarHBondContact N-O 3.46Å; L276-P288 HydrophobicContact CD1-CB 3.8Å
289Y94.7Very high90.9Very high16 Ų1664.1 Ų64.16%0.06334%0.335CS..EExtended strand (participates in β ladder)trans-128.4149.5176.9-68.1-90.8000110.5H270 Q271 S282 W284 N287 H293 L297H270-Y289 HydrophobicContact CB-CD1 4.29Å; H270-Y289 HydrophobicContact CB-CE1 3.68Å; H270-Y289 HydrophobicContact CB-CE2 4.31Å; Q271-Y289 HydrophobicContact CB-CD1 4.08Å; Q271-Y289 HydrophobicContact CB-CE1 4.07Å; S282-Y289 PolarHBondContact N-O 3.11Å; S282-Y289 PolarHBondContact O-N 3.07Å; W284-Y289 HydrophobicContact CB-CD2 3.75Å; W284-Y289 HydrophobicContact CB-CE2 3.68Å; W284-Y289 HydrophobicContact CG-CE2 4.48Å; N287-Y289 HydrophobicContact CB-CE2 3.82Å; N287-Y289 WeakPolarHBondContact O-CD2 3.32Å; N287-Y289 WeakPolarHBondContact O-CE2 3.28Å; Y289-H293 HydrophobicContact CD1-CB 4.14Å; Y289-L297 HydrophobicContact CD1-CD1 3.53Å; Y289-L297 HydrophobicContact CD2-CD1 4.01Å; Y289-L297 HydrophobicContact CE1-CD1 3.25Å; Y289-L297 HydrophobicContact CE2-CD1 3.77Å; Y289-L297 HydrophobicContact CG-CD1 3.9Å
290C95.9Very high90.9Very high16 Ų1664.3 Ų64.311%0.10833%0.331CS..  trans-71.1154.7165.260.40000109.6C269 L276 P292 H293 Y294C269-C290 HydrophobicContact CB-CB 4.33Å; C269-C290 PolarHBondContact SG-N 3.14Å; C269-C290 VanDerWaalsContact SG-N 3.37Å; C269-C290 VanDerWaalsContact SG-SG 3.68Å; L276-C290 HydrophobicContact CD2-CB 3.63Å; C290-P292 VanDerWaalsContact C-CD 3.49Å; C290-P292 HydrophobicContact CB-CG 4.43Å; C290-H293 PolarHBondContact O-N 3.19Å; C290-H293 VanDerWaalsContact O-N 3.09Å; C290-H293 PolarHBondContact SG-ND1 3.41Å; C290-Y294 PolarHBondContact O-N 2.77Å
291E92.3Very high90.8Very high105 Ų10563.6 Ų63.649%0.49133%0.328SS..Hα-helixtrans-44-50.5179.4-173.9-178.1170.600114.6H293 Y294 L295E291-H293 PolarHBondContact O-N 3.44Å; E291-Y294 PolarHBondContact O-N 3.36Å; E291-L295 PolarHBondContact O-N 3Å
292P93.2Very high90.1Very high82 Ų8262.7 Ų62.753%0.53233%0.329SS..Hα-helixtrans-65.6-38.9-178.624.9-34.6000112.9C290 L295 V296C290-P292 VanDerWaalsContact C-CD 3.49Å; C290-P292 HydrophobicContact CB-CG 4.43Å; P292-L295 PolarHBondContact O-N 3.16Å; P292-V296 WeakPolarHBondContact O-CG2 3.42Å; P292-V296 PolarHBondContact O-N 3.35Å
293H94.7Very high89.1Confident56 Ų5668.9 Ų68.926%0.25936%0.355SS..Hα-helixtrans-73.4-35.5178.2-69.1133.8000112.3Q271 C272 Y289 C290 E291 L295 V296 L297Q271-H293 HydrophobicContact CB-CB 3.96Å; Q271-H293 HydrophobicContact CG-CB 4.3Å; C272-H293 WeakPolarHBondContact CB-CE1 3.42Å; C272-H293 PolarHBondContact SG-CE1 3.48Å; C272-H293 PolarHBondContact SG-ND1 2.87Å; Y289-H293 HydrophobicContact CD1-CB 4.14Å; C290-H293 PolarHBondContact O-N 3.19Å; C290-H293 VanDerWaalsContact O-N 3.09Å; C290-H293 PolarHBondContact SG-ND1 3.41Å; E291-H293 PolarHBondContact O-N 3.44Å; H293-L295 VanDerWaalsContact C-N 3.3Å; H293-L295 PolarHBondContact O-N 2.83Å; H293-V296 PolarHBondContact O-N 3.48Å; H293-L297 WeakPolarHBondContact O-CG 3.49Å; H293-L297 PolarHBondContact O-N 2.93Å
294Y94.2Very high87.7Confident41 Ų4175.1 Ų75.116%0.16138%0.377CS..Hα-helixtrans-60.8-43.1172.2-177.9-97.9000110.9W284 C290 E291 V296 L297 F298W284-Y294 HydrophobicContact CB-CD2 4.08Å; W284-Y294 HydrophobicContact CB-CE2 4.04Å; W284-Y294 AromaticContact CE3-CE2 3.92Å; W284-Y294 HydrophobicContact CE3-CE2 3.92Å; C290-Y294 PolarHBondContact O-N 2.77Å; E291-Y294 PolarHBondContact O-N 3.36Å; Y294-V296 VanDerWaalsContact C-N 3.34Å; Y294-V296 PolarHBondContact O-N 3.03Å; Y294-L297 PolarHBondContact O-N 3.34Å; Y294-F298 HydrophobicContact CD1-CB 4.41Å; Y294-F298 HydrophobicContact CE1-CB 4.13Å; Y294-F298 HydrophobicContact CE1-CD2 4.14Å; Y294-F298 HydrophobicContact CE1-CG 4.33Å; Y294-F298 VanDerWaalsContact O-CB 3.24Å; Y294-F298 WeakPolarHBondContact O-CB 3.44Å; Y294-F298 PolarHBondContact O-N 2.87Å
295L91.9Very high86.2Confident99 Ų9979.5 Ų79.552%0.51840%0.404SS..Hα-helixtrans-62.7-39.6178.5-174.862.7000112.4E291 P292 H293 K299E291-L295 PolarHBondContact O-N 3Å; P292-L295 PolarHBondContact O-N 3.16Å; H293-L295 VanDerWaalsContact C-N 3.3Å; H293-L295 PolarHBondContact O-N 2.83Å; L295-K299 VanDerWaalsContact O-CB 3.28Å; L295-K299 WeakPolarHBondContact O-CB 3.2Å; L295-K299 PolarHBondContact O-N 2.97Å
296V90.9Very high84.6Confident98 Ų9875.5 Ų75.559%0.59439%0.394SS*.Hα-helixtrans-62.7-46174.5175.10000110.9P292 H293 Y294 K299 A300P292-V296 WeakPolarHBondContact O-CG2 3.42Å; P292-V296 PolarHBondContact O-N 3.35Å; H293-V296 PolarHBondContact O-N 3.48Å; Y294-V296 VanDerWaalsContact C-N 3.34Å; Y294-V296 PolarHBondContact O-N 3.03Å; V296-K299 PolarHBondContact O-N 2.68Å; V296-A300 WeakPolarHBondContact O-CB 3.41Å; V296-A300 PolarHBondContact O-N 3.38Å
297L88.9Confident83Confident30 Ų3080.6 Ų80.616%0.15743%0.427CS..Hα-helixtrans-65.5-43.6178-72.1172.5000112.2W284 Y289 H293 Y294 K299 A300 F301W284-L297 HydrophobicContact CB-CD1 4.44Å; W284-L297 HydrophobicContact CD2-CB 4.44Å; W284-L297 HydrophobicContact CG-CD1 4.35Å; Y289-L297 HydrophobicContact CD1-CD1 3.53Å; Y289-L297 HydrophobicContact CD2-CD1 4.01Å; Y289-L297 HydrophobicContact CE1-CD1 3.25Å; Y289-L297 HydrophobicContact CE2-CD1 3.77Å; Y289-L297 HydrophobicContact CG-CD1 3.9Å; H293-L297 WeakPolarHBondContact O-CG 3.49Å; H293-L297 PolarHBondContact O-N 2.93Å; Y294-L297 PolarHBondContact O-N 3.34Å; L297-K299 VanDerWaalsContact C-N 3.3Å; L297-K299 PolarHBondContact O-N 3.03Å; L297-A300 PolarHBondContact O-N 3.48Å; L297-A300 VanDerWaalsContact O-N 3.15Å; L297-F301 HydrophobicContact CD2-CD2 4.13Å; L297-F301 HydrophobicContact CD2-CE2 4.04Å; L297-F301 PolarHBondContact O-N 3.36Å
298F89.6Confident81.2Confident59 Ų5985.3 Ų85.326%0.25945%0.451SS..Hα-helixtrans-64.2-36177.2-171.6-91.4000111.4W284 Y294 G302 Y304W284-F298 AromaticContact CZ3-CD2 4Å; W284-F298 HydrophobicContact CZ3-CD2 4Å; Y294-F298 HydrophobicContact CD1-CB 4.41Å; Y294-F298 HydrophobicContact CE1-CB 4.13Å; Y294-F298 HydrophobicContact CE1-CD2 4.14Å; Y294-F298 HydrophobicContact CE1-CG 4.33Å; Y294-F298 VanDerWaalsContact O-CB 3.24Å; Y294-F298 WeakPolarHBondContact O-CB 3.44Å; Y294-F298 PolarHBondContact O-N 2.87Å; F298-G302 WeakPolarHBondContact O-CA 3.49Å; F298-G302 PolarHBondContact O-N 3.48Å; F298-Y304 HydrophobicContact CE1-CD1 4.37Å; F298-Y304 HydrophobicContact CE1-CE1 4.08Å
299K88.8Confident78.8Confident158 Ų15889.8 Ų89.869%0.68748%0.479SS*.Hα-helixtrans-69.4-34.9173.4-174.3175.1179.5-178.70112.5L295 V296 L297L295-K299 VanDerWaalsContact O-CB 3.28Å; L295-K299 WeakPolarHBondContact O-CB 3.2Å; L295-K299 PolarHBondContact O-N 2.97Å; V296-K299 PolarHBondContact O-N 2.68Å; L297-K299 VanDerWaalsContact C-N 3.3Å; L297-K299 PolarHBondContact O-N 3.03Å
300A85.3Confident76.3Confident66 Ų6699.5 Ų99.555%0.54552%0.521SS..Hα-helixtrans-78.5-35.9-179.100000113.2V296 L297V296-A300 WeakPolarHBondContact O-CB 3.41Å; V296-A300 PolarHBondContact O-N 3.38Å; L297-A300 PolarHBondContact O-N 3.48Å; L297-A300 VanDerWaalsContact O-N 3.15Å
301F83.4Confident73.7Confident144 Ų144103.2 Ų103.263%0.63254%0.544SS*.Hα-helixtrans-131.1-10.2-168.4-58.3-71.4000114.3W284 L297W284-F301 HydrophobicContact CH2-CB 3.73Å; W284-F301 HydrophobicContact CZ2-CB 3.36Å; W284-F301 HydrophobicContact CZ2-CG 4.34Å; L297-F301 HydrophobicContact CD2-CD2 4.13Å; L297-F301 HydrophobicContact CD2-CE2 4.04Å; L297-F301 PolarHBondContact O-N 3.36Å
302G78.1Confident71.1Confident17 Ų17104.1 Ų104.118%0.17556%0.559CS.*  trans-75.7146.1-17800000112.8F298F298-G302 WeakPolarHBondContact O-CA 3.49Å; F298-G302 PolarHBondContact O-N 3.48Å
303Q70.6Confident68.8Low153 Ų153107.3 Ų107.372%0.71557%0.57SS**  trans-91.8121.1172.3-65.51729.500108.9N305Q303-N305 VanDerWaalsContact C-N 3.3Å; Q303-N305 PolarHBondContact O-N 3.36Å
304Y61.5Low66.6Low158 Ų158112 Ų11262%0.6260%0.596SS**  trans-77.182.1170.3-64.8-82.1000109.3F298 S306F298-Y304 HydrophobicContact CE1-CD1 4.37Å; F298-Y304 HydrophobicContact CE1-CE1 4.08Å; Y304-S306 PolarHBondContact O-N 3.08Å
305N57.6Low64.2Low134 Ų134115.5 Ų115.572%0.71762%0.618SS**  trans-78.970166.3-68.2-26.1000108.4Q303 S307Q303-N305 VanDerWaalsContact C-N 3.3Å; Q303-N305 PolarHBondContact O-N 3.36Å; N305-S307 VanDerWaalsContact C-N 3.28Å; N305-S307 PolarHBondContact O-N 3.5Å
306S53.8Low62.1Low79 Ų79113.6 Ų113.655%0.55262%0.616SS**  trans-70.790.5170.862.50000108.3Y304 L308Y304-S306 PolarHBondContact O-N 3.08Å; S306-L308 PolarHBondContact O-N 3.19Å
307S53.5Low60.3Low123 Ų123112.9 Ų112.986%0.8662%0.615SS**  trans-65.26.1163.849.80000113N305 T309N305-S307 VanDerWaalsContact C-N 3.28Å; N305-S307 PolarHBondContact O-N 3.5Å; S307-T309 PolarHBondContact O-N 3.06Å
308L52.2Low58.8Low148 Ų148114 Ų11478%0.77563%0.626SS**  trans-7775.4159.3-63.9169.6000109S306S306-L308 PolarHBondContact O-N 3.19Å
309T43.6Very low57.5Low104 Ų104116.7 Ų116.764%0.63864%0.639SS**  trans162.7113.1141.238.70000107.8S307 T311S307-T309 PolarHBondContact O-N 3.06Å; T309-T311 PolarHBondContact O-N 3.18Å
310K41.6Very low56.3Low219 Ų219113.5 Ų113.595%0.95263%0.632SS**  trans-65.873.8162.2-73.6173.8172.6175.30108.7
311T42.7Very low55.1Low94 Ų94116.3 Ų116.358%0.57763%0.634SS**SBendtrans-153.5125.6163.4440000108.4T309 I313T309-T311 PolarHBondContact O-N 3.18Å; T311-I313 PolarHBondContact O-N 3.27Å
312P37.7Very low54.5Low124 Ų124115 Ų11581%0.80563%0.63SS**  trans-60.4131.2-171.423.5-32.3000112L314P312-L314 PolarHBondContact O-N 2.82Å
313I43.7Very low53.9Low150 Ų150117 Ų11777%0.76964%0.635SS**THydrogen-bonded Turntrans-6916.1-164.4-64.7163.1000114.2T311 D315T311-I313 PolarHBondContact O-N 3.27Å; I313-D315 PolarHBondContact O-N 3.06Å
314L48.9Very low53.8Low154 Ų154113 Ų11381%0.80662%0.62SS**THydrogen-bonded Turntrans-78.1-20.7-176.6-128.985.5000114.5P312P312-L314 PolarHBondContact O-N 2.82Å
315D44.6Very low53.9Low115 Ų115107.2 Ų107.262%0.61560%0.603SS**SBendtrans-109.6-1.4-171.4-61.4-23.7000114.6I313 S318 H319I313-D315 PolarHBondContact O-N 3.06Å; D315-S318 WeakPolarHBondContact CA-OG 3.35Å; D315-S318 PolarHBondContact O-N 3.43Å; D315-S318 PolarHBondContact O-OG 3.3Å; D315-H319 PolarHBondContact O-N 3.43Å
316A47.6Very low54.6Low58 Ų58108.1 Ų108.148%0.47960%0.597SS.*Hα-helixtrans-70.4-39178.900000112S318 H319 V320A316-S318 VanDerWaalsContact C-N 3.31Å; A316-S318 PolarHBondContact O-N 3.36Å; A316-H319 PolarHBondContact O-N 3.02Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.37Å
317S52.1Low54.9Low83 Ų83109.3 Ų109.358%0.5860%0.596SS**Hα-helixtrans-63.1-37.3174.8-78.20000112Q321S317-Q321 VanDerWaalsContact O-CB 3.28Å; S317-Q321 WeakPolarHBondContact O-CB 3.42Å; S317-Q321 WeakPolarHBondContact O-CG 3.49Å; S317-Q321 PolarHBondContact O-N 3.17Å; S317-Q321 PolarHBondContact O-OE1 2.76Å
318S57.5Low55.8Low54 Ų54109.1 Ų109.138%0.37858%0.581SS.*Hα-helixtrans-68.9-38.2174.3500000112.2D315 A316 Q321 Q322D315-S318 WeakPolarHBondContact CA-OG 3.35Å; D315-S318 PolarHBondContact O-N 3.43Å; D315-S318 PolarHBondContact O-OG 3.3Å; A316-S318 VanDerWaalsContact C-N 3.31Å; A316-S318 PolarHBondContact O-N 3.36Å; S318-Q321 PolarHBondContact O-N 2.83Å; S318-Q322 WeakPolarHBondContact O-CB 3.22Å; S318-Q322 PolarHBondContact O-N 3.03Å
319H62.4Low56.6Low116 Ų116109 Ų10954%0.53757%0.57SS.*Hα-helixtrans-67.4-42.7177.7-168.1-84.1000111.6D315 A316 Q322 E323D315-H319 PolarHBondContact O-N 3.43Å; A316-H319 PolarHBondContact O-N 3.02Å; H319-Q322 PolarHBondContact O-N 2.82Å; H319-E323 WeakPolarHBondContact O-CB 3.48Å; H319-E323 PolarHBondContact O-N 3.42Å
320V63.8Low57.5Low90 Ų90107 Ų10755%0.54556%0.561SS.*Hα-helixtrans-63.2-44.5174.5174.80000110.5A316 Q322 E323 V324A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.37Å; V320-Q322 VanDerWaalsContact C-N 3.33Å; V320-Q322 PolarHBondContact O-N 3Å; V320-E323 PolarHBondContact O-N 2.88Å; V320-V324 HydrophobicContact CG1-CG2 4.27Å; V320-V324 WeakPolarHBondContact O-CB 3.5Å; V320-V324 VanDerWaalsContact O-CG2 3.23Å; V320-V324 WeakPolarHBondContact O-CG2 3.49Å; V320-V324 PolarHBondContact O-N 2.97Å
321Q60.5Low58.5Low126 Ų126100.1 Ų100.159%0.58954%0.537SS*.Hα-helixtrans-64.9-36.5176.4-77.2163.9-3.700112.4S317 S318 S325S317-Q321 VanDerWaalsContact O-CB 3.28Å; S317-Q321 WeakPolarHBondContact O-CB 3.42Å; S317-Q321 WeakPolarHBondContact O-CG 3.49Å; S317-Q321 PolarHBondContact O-N 3.17Å; S317-Q321 PolarHBondContact O-OE1 2.76Å; S318-Q321 PolarHBondContact O-N 2.83Å; Q321-S325 VanDerWaalsContact O-CB 3.25Å; Q321-S325 WeakPolarHBondContact O-CB 3.46Å; Q321-S325 PolarHBondContact O-N 3.49Å; Q321-S325 PolarHBondContact O-OG 3.06Å
322Q71Confident59.8Low116 Ų11697.6 Ų97.654%0.54252%0.524SS..Hα-helixtrans-64.7-41.7175.8-174.3169.1-1.100111S318 H319 V320 S325 R326S318-Q322 WeakPolarHBondContact O-CB 3.22Å; S318-Q322 PolarHBondContact O-N 3.03Å; H319-Q322 PolarHBondContact O-N 2.82Å; V320-Q322 VanDerWaalsContact C-N 3.33Å; V320-Q322 PolarHBondContact O-N 3Å; Q322-S325 WeakPolarHBondContact O-CB 3.28Å; Q322-S325 PolarHBondContact O-N 3.15Å; Q322-R326 WeakPolarHBondContact O-CB 3.23Å; Q322-R326 PolarHBondContact O-N 3.37Å
323E65.6Low61.4Low59 Ų5996.1 Ų96.128%0.27651%0.509SS..Hα-helixtrans-77-35.4179.4-114.737.6-178.800113.7H319 V320 S325 R326 I327H319-E323 WeakPolarHBondContact O-CB 3.48Å; H319-E323 PolarHBondContact O-N 3.42Å; V320-E323 PolarHBondContact O-N 2.88Å; E323-S325 VanDerWaalsContact C-N 3.35Å; E323-R326 WeakPolarHBondContact O-CB 3.33Å; E323-R326 PolarHBondContact O-N 3.25Å; E323-R326 IonicContact OE1-CZ 3.23Å; E323-R326 IonicContact OE1-NH1 3.87Å; E323-R326 PolarHBondContact OE1-NH1 3Å; E323-R326 VanDerWaalsContact OE2-CD 3.29Å; E323-R326 WeakPolarHBondContact OE2-CD 3.21Å; E323-R326 IonicContact OE2-NH1 2.83Å; E323-I327 WeakPolarHBondContact O-CD1 3.34Å; E323-I327 VanDerWaalsContact O-CG1 3.24Å; E323-I327 WeakPolarHBondContact O-CG1 3.42Å; E323-I327 PolarHBondContact O-N 3.15Å
324V67.5Low62.7Low68 Ų6893.3 Ų93.341%0.41250%0.498SS..Hα-helixtrans-59.2-48.8166.5171.40000109.8V320 R326 I327 E328V320-V324 HydrophobicContact CG1-CG2 4.27Å; V320-V324 WeakPolarHBondContact O-CB 3.5Å; V320-V324 VanDerWaalsContact O-CG2 3.23Å; V320-V324 WeakPolarHBondContact O-CG2 3.49Å; V320-V324 PolarHBondContact O-N 2.97Å; V324-R326 PolarHBondContact O-N 2.91Å; V324-I327 PolarHBondContact O-N 2.75Å; V324-E328 HydrophobicContact CG1-CG 4.39Å; V324-E328 WeakPolarHBondContact O-CB 3.42Å; V324-E328 WeakPolarHBondContact O-CG 3.37Å; V324-E328 PolarHBondContact O-N 3.22Å
325S65Low63.3Low38 Ų3889.8 Ų89.827%0.26648%0.483SS..Hα-helixtrans-62.1-32.7177.3-57.60000112.4Q321 Q322 E323 R329Q321-S325 VanDerWaalsContact O-CB 3.25Å; Q321-S325 WeakPolarHBondContact O-CB 3.46Å; Q321-S325 PolarHBondContact O-N 3.49Å; Q321-S325 PolarHBondContact O-OG 3.06Å; Q322-S325 WeakPolarHBondContact O-CB 3.28Å; Q322-S325 PolarHBondContact O-N 3.15Å; E323-S325 VanDerWaalsContact C-N 3.35Å; S325-R329 WeakPolarHBondContact O-CB 3.4Å; S325-R329 VanDerWaalsContact O-CG 3.23Å; S325-R329 WeakPolarHBondContact O-CG 3.38Å; S325-R329 PolarHBondContact O-N 3.18Å
326R71.9Confident64.5Low153 Ų15390.4 Ų90.458%0.57748%0.482SS*.Hα-helixtrans-70.7-40.4177.6-157.8179.6-160.5164.36111.4Q322 E323 V324 R329 S330Q322-R326 WeakPolarHBondContact O-CB 3.23Å; Q322-R326 PolarHBondContact O-N 3.37Å; E323-R326 WeakPolarHBondContact O-CB 3.33Å; E323-R326 PolarHBondContact O-N 3.25Å; E323-R326 IonicContact OE1-CZ 3.23Å; E323-R326 IonicContact OE1-NH1 3.87Å; E323-R326 PolarHBondContact OE1-NH1 3Å; E323-R326 VanDerWaalsContact OE2-CD 3.29Å; E323-R326 WeakPolarHBondContact OE2-CD 3.21Å; E323-R326 IonicContact OE2-NH1 2.83Å; V324-R326 PolarHBondContact O-N 2.91Å; R326-R329 PolarHBondContact O-N 3.5Å; R326-S330 PolarHBondContact O-N 3.17Å
327I59.4Low65.6Low103 Ų10392.1 Ų92.153%0.52849%0.487SS..Hα-helixtrans-68.2-41.4174.4-65.7163.7000110.5E323 V324 R329 S330 T331E323-I327 WeakPolarHBondContact O-CD1 3.34Å; E323-I327 VanDerWaalsContact O-CG1 3.24Å; E323-I327 WeakPolarHBondContact O-CG1 3.42Å; E323-I327 PolarHBondContact O-N 3.15Å; V324-I327 PolarHBondContact O-N 2.75Å; I327-R329 VanDerWaalsContact C-N 3.34Å; I327-R329 PolarHBondContact O-N 3.35Å; I327-S330 PolarHBondContact O-N 3.41Å; I327-S330 PolarHBondContact O-OG 2.96Å; I327-T331 HydrophobicContact CG2-CG2 4.3Å; I327-T331 WeakPolarHBondContact O-CB 3.23Å; I327-T331 VanDerWaalsContact O-CG2 3.32Å; I327-T331 WeakPolarHBondContact O-CG2 3.28Å; I327-T331 PolarHBondContact O-N 3.49Å; I327-T331 PolarHBondContact O-OG1 3.04Å
328E72.3Confident66.1Low119 Ų11992.6 Ų92.656%0.55648%0.483SS*.Hα-helixtrans-62-40.4175.1-73.8177.3171.300111.8V324 T331 S332V324-E328 HydrophobicContact CG1-CG 4.39Å; V324-E328 WeakPolarHBondContact O-CB 3.42Å; V324-E328 WeakPolarHBondContact O-CG 3.37Å; V324-E328 PolarHBondContact O-N 3.22Å; E328-T331 WeakPolarHBondContact CA-OG1 3.29Å; E328-T331 PolarHBondContact O-OG1 3.02Å; E328-S332 WeakPolarHBondContact O-CB 3.4Å; E328-S332 PolarHBondContact O-N 3.42Å; E328-S332 PolarHBondContact O-OG 3.01Å
329R68.4Low66.8Low145 Ų14594.1 Ų94.155%0.54749%0.49SS..Hα-helixtrans-68.4-37.6173.3-71178.5-141.4120.9-0.6113S325 R326 I327 S332 N333S325-R329 WeakPolarHBondContact O-CB 3.4Å; S325-R329 VanDerWaalsContact O-CG 3.23Å; S325-R329 WeakPolarHBondContact O-CG 3.38Å; S325-R329 PolarHBondContact O-N 3.18Å; R326-R329 PolarHBondContact O-N 3.5Å; I327-R329 VanDerWaalsContact C-N 3.34Å; I327-R329 PolarHBondContact O-N 3.35Å; R329-S332 PolarHBondContact O-OG 3.35Å; R329-N333 WeakPolarHBondContact O-CB 3.24Å; R329-N333 PolarHBondContact O-N 2.87Å; R329-N333 VanDerWaalsContact O-N 3.08Å; R329-N333 PolarHBondContact O-ND2 3.09Å
330S64.2Low67.2Low62 Ų6291 Ų9143%0.43448%0.483SS..Hα-helixtrans-69.8-40.9178.876.50000111.3R326 I327 N333 V334R326-S330 PolarHBondContact O-N 3.17Å; I327-S330 PolarHBondContact O-N 3.41Å; I327-S330 PolarHBondContact O-OG 2.96Å; S330-N333 PolarHBondContact O-N 3.42Å; S330-V334 WeakPolarHBondContact O-CG2 3.38Å; S330-V334 PolarHBondContact O-N 3.44Å
331T62.2Low67.4Low75 Ų7593.1 Ų93.146%0.4649%0.485SS..Hα-helixtrans-68.2-36.9175.853.30000112.4I327 E328 V334 T335I327-T331 HydrophobicContact CG2-CG2 4.3Å; I327-T331 WeakPolarHBondContact O-CB 3.23Å; I327-T331 VanDerWaalsContact O-CG2 3.32Å; I327-T331 WeakPolarHBondContact O-CG2 3.28Å; I327-T331 PolarHBondContact O-N 3.49Å; I327-T331 PolarHBondContact O-OG1 3.04Å; E328-T331 WeakPolarHBondContact CA-OG1 3.29Å; E328-T331 PolarHBondContact O-OG1 3.02Å; T331-V334 PolarHBondContact O-N 3.39Å; T331-T335 WeakPolarHBondContact O-CB 3.03Å; T331-T335 PolarHBondContact O-N 2.95Å; T331-T335 PolarHBondContact O-OG1 3.44Å
332S69.3Low67.2Low42 Ų4293.4 Ų93.429%0.29449%0.485SS..Hα-helixtrans-65.1-39.4173.576.60000112.2E328 R329 T335 Q336E328-S332 WeakPolarHBondContact O-CB 3.4Å; E328-S332 PolarHBondContact O-N 3.42Å; E328-S332 PolarHBondContact O-OG 3.01Å; R329-S332 PolarHBondContact O-OG 3.35Å; S332-T335 VanDerWaalsContact CA-OG1 3.29Å; S332-T335 WeakPolarHBondContact CA-OG1 3.41Å; S332-T335 PolarHBondContact O-N 3.04Å; S332-T335 PolarHBondContact O-OG1 3.09Å; S332-Q336 WeakPolarHBondContact O-CB 3.4Å; S332-Q336 VanDerWaalsContact O-CG 3.24Å; S332-Q336 WeakPolarHBondContact O-CG 3.41Å; S332-Q336 PolarHBondContact O-N 3.11Å
333N71.6Confident66.8Low93 Ų9393.5 Ų93.550%0.49749%0.485SS..Hα-helixtrans-65.8-42.8175.9-69.8-17.2000112.1R329 S330 T337R329-N333 WeakPolarHBondContact O-CB 3.24Å; R329-N333 PolarHBondContact O-N 2.87Å; R329-N333 VanDerWaalsContact O-N 3.08Å; R329-N333 PolarHBondContact O-ND2 3.09Å; S330-N333 PolarHBondContact O-N 3.42Å; N333-T337 WeakPolarHBondContact O-CB 3.18Å; N333-T337 PolarHBondContact O-N 3.48Å; N333-T337 PolarHBondContact O-OG1 3.45Å
334V70.2Confident66.6Low90 Ų9097.1 Ų97.155%0.54550%0.503SS..Hα-helixtrans-65-44.6177.4173.30000111S330 T331 T337 L338S330-V334 WeakPolarHBondContact O-CG2 3.38Å; S330-V334 PolarHBondContact O-N 3.44Å; T331-V334 PolarHBondContact O-N 3.39Å; V334-T337 PolarHBondContact O-N 3.37Å; V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 WeakPolarHBondContact O-CG 3.43Å; V334-L338 PolarHBondContact O-N 3.08Å
335T62.8Low65.7Low80 Ų80100.4 Ų100.449%0.49152%0.517SS..Hα-helixtrans-65.1-43.6177.842.40000112.1T331 S332 T337 L338 V339T331-T335 WeakPolarHBondContact O-CB 3.03Å; T331-T335 PolarHBondContact O-N 2.95Å; T331-T335 PolarHBondContact O-OG1 3.44Å; S332-T335 VanDerWaalsContact CA-OG1 3.29Å; S332-T335 WeakPolarHBondContact CA-OG1 3.41Å; S332-T335 PolarHBondContact O-N 3.04Å; S332-T335 PolarHBondContact O-OG1 3.09Å; T335-T337 VanDerWaalsContact C-N 3.35Å; T335-T337 PolarHBondContact O-N 3.38Å; T335-L338 PolarHBondContact O-N 3.35Å; T335-V339 WeakPolarHBondContact O-CG2 3.41Å; T335-V339 PolarHBondContact O-N 3.31Å
336Q69.2Low65Low128 Ų128106 Ų10660%0.59854%0.539SS*.Hα-helixtrans-62.1-40.6174.2-74.6176.420.800112.5S332 L338 V339 A340S332-Q336 WeakPolarHBondContact O-CB 3.4Å; S332-Q336 VanDerWaalsContact O-CG 3.24Å; S332-Q336 WeakPolarHBondContact O-CG 3.41Å; S332-Q336 PolarHBondContact O-N 3.11Å; Q336-L338 VanDerWaalsContact C-N 3.32Å; Q336-L338 PolarHBondContact O-N 2.8Å; Q336-V339 PolarHBondContact O-N 2.96Å; Q336-A340 WeakPolarHBondContact O-CB 3.23Å; Q336-A340 PolarHBondContact O-N 3.01Å
337T70.5Confident63.8Low94 Ų94102.7 Ų102.758%0.57754%0.539SS*.Hα-helixtrans-62.5-41.6177-57.10000111.2N333 V334 T335 K341N333-T337 WeakPolarHBondContact O-CB 3.18Å; N333-T337 PolarHBondContact O-N 3.48Å; N333-T337 PolarHBondContact O-OG1 3.45Å; V334-T337 PolarHBondContact O-N 3.37Å; T335-T337 VanDerWaalsContact C-N 3.35Å; T335-T337 PolarHBondContact O-N 3.38Å; T337-K341 WeakPolarHBondContact O-CB 3.36Å; T337-K341 PolarHBondContact O-N 3.49Å
338L63.6Low63Low94 Ų94100.9 Ų100.949%0.49255%0.546SS..Hα-helixtrans-63.8-48.8174.8-76.6168.8000111.2V334 T335 Q336 A340 K341 F342V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 WeakPolarHBondContact O-CG 3.43Å; V334-L338 PolarHBondContact O-N 3.08Å; T335-L338 PolarHBondContact O-N 3.35Å; Q336-L338 VanDerWaalsContact C-N 3.32Å; Q336-L338 PolarHBondContact O-N 2.8Å; L338-A340 VanDerWaalsContact C-N 3.35Å; L338-A340 PolarHBondContact O-N 2.98Å; L338-K341 WeakPolarHBondContact O-CB 3.35Å; L338-K341 PolarHBondContact O-N 3.21Å; L338-K341 VanDerWaalsContact O-N 3.14Å; L338-F342 HydrophobicContact CB-CE2 4.36Å; L338-F342 WeakPolarHBondContact O-CD2 3.09Å; L338-F342 PolarHBondContact O-N 2.87Å
339V72.4Confident61.4Low86 Ų86101.5 Ų101.552%0.52155%0.553SS.*Hα-helixtrans-58.5-45.7178.5172.10000111.3T335 Q336 K341 F342 Q343T335-V339 WeakPolarHBondContact O-CG2 3.41Å; T335-V339 PolarHBondContact O-N 3.31Å; Q336-V339 PolarHBondContact O-N 2.96Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 2.96Å; V339-F342 PolarHBondContact O-N 2.91Å; V339-Q343 WeakPolarHBondContact O-CB 3.49Å; V339-Q343 PolarHBondContact O-N 3.06Å
340A70Confident59.8Low49 Ų49102.2 Ų102.241%0.40557%0.568SS.*Hα-helixtrans-60-42.6175.900000111.8Q336 L338 F342 Q343 E344Q336-A340 WeakPolarHBondContact O-CB 3.23Å; Q336-A340 PolarHBondContact O-N 3.01Å; L338-A340 VanDerWaalsContact C-N 3.35Å; L338-A340 PolarHBondContact O-N 2.98Å; A340-F342 VanDerWaalsContact C-N 3.33Å; A340-F342 PolarHBondContact O-N 3.1Å; A340-Q343 PolarHBondContact O-N 3.26Å; A340-E344 WeakPolarHBondContact O-CG 3.37Å; A340-E344 PolarHBondContact O-N 3.34Å
341K68.2Low58.2Low135 Ų135103.7 Ų103.759%0.58758%0.584SS**Hα-helixtrans-62.1-39.5176.1-153103.1-175.2179.70112.3T337 L338 V339 L345T337-K341 WeakPolarHBondContact O-CB 3.36Å; T337-K341 PolarHBondContact O-N 3.49Å; L338-K341 WeakPolarHBondContact O-CB 3.35Å; L338-K341 PolarHBondContact O-N 3.21Å; L338-K341 VanDerWaalsContact O-N 3.14Å; V339-K341 VanDerWaalsContact C-N 3.32Å; V339-K341 PolarHBondContact O-N 2.96Å; K341-L345 WeakPolarHBondContact O-CG 3.49Å; K341-L345 PolarHBondContact O-N 2.7Å
342F55.6Low56.8Low133 Ų133106.6 Ų106.658%0.58360%0.602SS**Hα-helixtrans-66.8-39.5174.6-77-68.1000111.5L338 V339 A340 L345 E346L338-F342 HydrophobicContact CB-CE2 4.36Å; L338-F342 WeakPolarHBondContact O-CD2 3.09Å; L338-F342 PolarHBondContact O-N 2.87Å; V339-F342 PolarHBondContact O-N 2.91Å; A340-F342 VanDerWaalsContact C-N 3.33Å; A340-F342 PolarHBondContact O-N 3.1Å; F342-L345 WeakPolarHBondContact O-CB 3.24Å; F342-L345 PolarHBondContact O-N 3.13Å; F342-E346 PolarHBondContact O-N 3.29Å
343Q63.9Low54.7Low117 Ų117109.5 Ų109.555%0.54762%0.622SS.*Hα-helixtrans-72.8-29.6-179.7-161.9158.2-6.800113.1V339 A340 L345 E346 S347V339-Q343 WeakPolarHBondContact O-CB 3.49Å; V339-Q343 PolarHBondContact O-N 3.06Å; A340-Q343 PolarHBondContact O-N 3.26Å; Q343-L345 VanDerWaalsContact C-N 3.33Å; Q343-E346 PolarHBondContact O-N 2.78Å; Q343-S347 WeakPolarHBondContact O-CB 3.41Å; Q343-S347 PolarHBondContact O-N 3.17Å; Q343-S347 PolarHBondContact O-OG 2.89Å
344E60.2Low52.6Low136 Ų136111.7 Ų111.764%0.63663%0.632SS**Hα-helixtrans-63.2-37.5167.9-76.4-179.7172.400112A340 E346 S347A340-E344 WeakPolarHBondContact O-CG 3.37Å; A340-E344 PolarHBondContact O-N 3.34Å; E344-E346 VanDerWaalsContact C-N 3.31Å; E344-E346 PolarHBondContact O-N 3Å; E344-S347 PolarHBondContact O-N 2.91Å
345L49.9Very low50.6Low137 Ų137115.6 Ų115.672%0.71764%0.644SS**Hα-helixtrans-67.1-32.9175.9-71.2167.7000112.1K341 F342 Q343K341-L345 WeakPolarHBondContact O-CG 3.49Å; K341-L345 PolarHBondContact O-N 2.7Å; F342-L345 WeakPolarHBondContact O-CB 3.24Å; F342-L345 PolarHBondContact O-N 3.13Å; Q343-L345 VanDerWaalsContact C-N 3.33Å
346E49Very low49Very low156 Ų156118.3 Ų118.373%0.72966%0.656SS**Hα-helixtrans-77.7-27.8176.3-66.7-173.4161.500112.9F342 Q343 E344 G348F342-E346 PolarHBondContact O-N 3.29Å; Q343-E346 PolarHBondContact O-N 2.78Å; E344-E346 VanDerWaalsContact C-N 3.31Å; E344-E346 PolarHBondContact O-N 3Å; E346-G348 PolarHBondContact O-N 3.25Å
347S47.3Very low47.1Very low82 Ų82117.3 Ų117.357%0.57366%0.663SS**THydrogen-bonded Turntrans-84.63.9-178.7-52.90000113.6Q343 E344 N349Q343-S347 WeakPolarHBondContact O-CB 3.41Å; Q343-S347 PolarHBondContact O-N 3.17Å; Q343-S347 PolarHBondContact O-OG 2.89Å; E344-S347 PolarHBondContact O-N 2.91Å; S347-N349 PolarHBondContact O-N 3.49Å
348G43Very low44.8Very low65 Ų65120.1 Ų120.167%0.6767%0.674SS**  trans-68.549168.900000113.5E346E346-G348 PolarHBondContact O-N 3.25Å
349N37.9Very low43.1Very low132 Ų132121.3 Ų121.371%0.70669%0.687SS**  trans-81.6110.9158.8-71.8-39.5000106.6S347S347-N349 PolarHBondContact O-N 3.49Å
350N35.7Very low41Very low160 Ų160124.5 Ų124.586%0.85670%0.696SS**  trans-179.9110.7140-82.8-26.6000111.3
351A30.8Very low39Very low94 Ų94129.1 Ų129.178%0.77771%0.714SS**  trans58.593.5143.500000118.2
352T31.6Very low37.1Very low136 Ų136131 Ų13183%0.83473%0.725SS**  -13899.2124.81.10000109.2I354T352-I354 PolarHBondContact O-N 3.43Å
353S25Very low35.9Very low102 Ų102129.6 Ų129.671%0.71373%0.729SS**  trans-57.599.2168.5-173.40000109
354I28.1Very low34.3Very low139 Ų139130.2 Ų130.271%0.71374%0.744SS**  trans-109.384.9159.4-57.9-175.5000105.7T352 N356T352-I354 PolarHBondContact O-N 3.43Å; I354-N356 PolarHBondContact O-N 2.97Å; I354-N356 VanDerWaalsContact O-N 3.1Å
355Q27.2Very low32.7Very low172 Ų172131.2 Ų131.280%0.80475%0.748SS**  trans-61.3104.6160.5-69.4177.1-42.500107.2
356N30.2Very low31.5Very low137 Ų137135.1 Ų135.173%0.73375%0.753SS**  trans-140.9104.8158-86.1-38.1000108.8I354I354-N356 PolarHBondContact O-N 2.97Å; I354-N356 VanDerWaalsContact O-N 3.1Å
357S28.6Very low30.3Very low107 Ų107134.8 Ų134.875%0.74876%0.755SS**  trans0.7117.2160.853.30000117.4P359S357-P359 VanDerWaalsContact O-CD 3.31Å; S357-P359 WeakPolarHBondContact O-CD 3.49Å
358L23.3Very low29.2Very low153 Ų153139.8 Ų139.880%0.80176%0.763SS**  trans-67.4119.5165.3-170.876.1000111.2Q360L358-Q360 HydrophobicContact CD2-CG 4.49Å
359P27.4Very low28.3Very low120 Ų120146.3 Ų146.378%0.77977%0.773SS**  trans-95.11151572.719000108S357S357-P359 VanDerWaalsContact O-CD 3.31Å; S357-P359 WeakPolarHBondContact O-CD 3.49Å
360Q27.6Very low27.7Very low153 Ų153146.1 Ų146.172%0.71577%0.772SS**  trans-62.2150.3168.5-67.2175.4-22.200110.7L358L358-Q360 HydrophobicContact CD2-CG 4.49Å
361N29.2Very low27.3Very low146 Ų146143.8 Ų143.878%0.78177%0.768SS**  trans75.783.5158.9-56-49.1000117.6
362Q27.4Very low27.3Very low173 Ų173144.5 Ų144.581%0.80876%0.763SS**  trans-134.6125.3141.3-98178-0.900110.6
363P29.9Very low27.4Very low104 Ų104145.4 Ų145.468%0.67576%0.757SS**  trans-66.3163.1178.5-11.225.5000112H365P363-H365 PolarHBondContact O-N 2.8Å
364P30.8Very low28Very low131 Ų131146.9 Ų146.985%0.85176%0.762SS**  trans-65.5108.9-170.327-32.5000110.6R366P364-R366 PolarHBondContact O-N 3.3Å
365H26.7Very low28.3Very low157 Ų157141.1 Ų141.173%0.72774%0.737SS**  trans-64.5110.8169.3-93-96.5000109P363 I367P363-H365 PolarHBondContact O-N 2.8Å; H365-I367 PolarHBondContact O-N 2.88Å
366R24.3Very low28.8Very low218 Ų218137 Ų13782%0.82373%0.725SS**  trans-40.5104.1164.3-171.3175.8-173.6159.10.6109.4P364 Y368P364-R366 PolarHBondContact O-N 3.3Å; R366-Y368 PolarHBondContact O-N 3.42Å
367I24.9Very low29Very low150 Ų150134.9 Ų134.977%0.76972%0.717SS**  trans-61.5106.3178.2-59.2-72.4000107.5H365 F369H365-I367 PolarHBondContact O-N 2.88Å; I367-F369 PolarHBondContact O-N 3.17Å
368Y23.5Very low29.4Very low187 Ų187131.5 Ų131.573%0.73369%0.694SS**  trans-66.5125.7162.5-92.3-97.6000107.7R366 N370R366-Y368 PolarHBondContact O-N 3.42Å; Y368-N370 PolarHBondContact O-N 3.08Å
369F23.8Very low30.5Very low201 Ų201129.4 Ų129.488%0.88270%0.698SS**  trans-61.287.5163.4-83.6-93.2000108.4I367 S371I367-F369 PolarHBondContact O-N 3.17Å; F369-S371 PolarHBondContact O-N 2.95Å
370N25.8Very low31.2Very low129 Ų129130.3 Ų130.369%0.6970%0.697SS**  trans-90.8100.7166.8-75.8-8.6000107.4Y368 T372Y368-N370 PolarHBondContact O-N 3.08Å; N370-T372 VanDerWaalsContact C-N 3.31Å; N370-T372 PolarHBondContact O-N 3.24Å
371S27.8Very low31.9Very low110 Ų110125.3 Ų125.377%0.76969%0.686SS**  trans-58.487.2171.9-56.10000111F369F369-S371 PolarHBondContact O-N 2.95Å
372T30.7Very low32.4Very low109 Ų109123.3 Ų123.367%0.66968%0.675SS**  trans-133.162.1163.751.70000109.1N370 T374N370-T372 VanDerWaalsContact C-N 3.31Å; N370-T372 PolarHBondContact O-N 3.24Å; T372-T374 PolarHBondContact O-N 2.79Å
373H34.3Very low33.5Very low156 Ų156119.2 Ų119.272%0.72266%0.662SS**  trans-65.380.3165.2-82.1-91.3000109.4G375H373-G375 VanDerWaalsContact C-N 3.25Å; H373-G375 PolarHBondContact O-N 2.79Å
374T37.2Very low34.3Very low133 Ų133117.7 Ų117.782%0.81665%0.645SS**  trans-9660.8165.750.30000107.8T372T372-T374 PolarHBondContact O-N 2.79Å
375G34.3Very low35.5Very low18 Ų18114.3 Ų114.319%0.18662%0.623CS.*PPolyproline II helixtrans-67.7151.6162.700000109H373 T377H373-G375 VanDerWaalsContact C-N 3.25Å; H373-G375 PolarHBondContact O-N 2.79Å; G375-T377 PolarHBondContact O-N 3.2Å
376P37.7Very low36.7Very low86 Ų86110.1 Ų110.156%0.55861%0.612SS**PPolyproline II helixtrans-53.8131.5171.823.2-30.9000108.4F384P376-F384 VanDerWaalsContact O-CD2 3.25Å; P376-F384 WeakPolarHBondContact O-CD2 3.35Å; P376-F384 PolarHBondContact O-N 3.36Å
377T33.4Very low38.5Very low91 Ų91104 Ų10456%0.55860%0.602SS**BIsolated β-bridgetrans-94.8142.1177.433.40000109.7G375 D382 V383G375-T377 PolarHBondContact O-N 3.2Å; T377-D382 WeakPolarHBondContact CA-O 3.29Å; T377-V383 HydrophobicContact CG2-CG2 4.24Å
378S38.2Very low40.8Very low36 Ų3698.9 Ų98.925%0.25259%0.587SS.*PPolyproline II helixtrans-62.1161.5164.1175.60000110.5N380 G381 D382S378-N380 PolarHBondContact O-N 3.29Å; S378-N380 VanDerWaalsContact O-N 3.07Å; S378-N380 PolarHBondContact OG-N 2.9Å; S378-G381 PolarHBondContact O-N 3.3Å; S378-D382 PolarHBondContact N-O 3.49Å
379A45Very low42.7Very low109 Ų10998.8 Ų98.890%0.90159%0.585SS**THydrogen-bonded Turntrans-56.4-22.7170.800000112.8
380N42.7Very low44.4Very low139 Ų13991.6 Ų91.674%0.74356%0.562SS**THydrogen-bonded Turntrans-90.56175.4-63.6-17.7000113.8S378 D382S378-N380 PolarHBondContact O-N 3.29Å; S378-N380 VanDerWaalsContact O-N 3.07Å; S378-N380 PolarHBondContact OG-N 2.9Å; N380-D382 VanDerWaalsContact C-N 3.32Å; N380-D382 PolarHBondContact O-N 3.13Å
381G43.2Very low46.5Very low48 Ų4890.4 Ų90.450%0.49555%0.548SS..  trans83.20.4178.400000115.3S378 V383S378-G381 PolarHBondContact O-N 3.3Å; G381-V383 PolarHBondContact O-N 3.04Å
382D39.9Very low48.7Very low104 Ų10491.5 Ų91.556%0.55654%0.541SS*.PPolyproline II helixtrans-67.3128.1177.3-59.2-47.9000111T377 S378 N380 F384T377-D382 WeakPolarHBondContact CA-O 3.29Å; S378-D382 PolarHBondContact N-O 3.49Å; N380-D382 VanDerWaalsContact C-N 3.32Å; N380-D382 PolarHBondContact O-N 3.13Å; D382-F384 PolarHBondContact O-N 3.14Å
383V48.5Very low50.7Low88 Ų8891.5 Ų91.553%0.53354%0.537SS..BIsolated β-bridgetrans-80.1116.3178.3179.80000109.1T377 G381T377-V383 HydrophobicContact CG2-CG2 4.24Å; G381-V383 PolarHBondContact O-N 3.04Å
384F48.2Very low52.4Low72 Ų7286.1 Ų86.132%0.31652%0.515SS..PPolyproline II helixtrans-69.2137.7173.4-73.4-73.5000110.6P376 D382 S386 V394P376-F384 VanDerWaalsContact O-CD2 3.25Å; P376-F384 WeakPolarHBondContact O-CD2 3.35Å; P376-F384 PolarHBondContact O-N 3.36Å; D382-F384 PolarHBondContact O-N 3.14Å; F384-S386 PolarHBondContact O-N 3.41Å; F384-V394 HydrophobicContact CD1-CG1 4.04Å; F384-V394 HydrophobicContact CD1-CG2 4.03Å; F384-V394 HydrophobicContact CE1-CG1 3.73Å; F384-V394 HydrophobicContact CE1-CG2 3.98Å; F384-V394 HydrophobicContact CZ-CG1 4.47Å
385P54.9Low54.2Low59 Ų5983.9 Ų83.938%0.38350%0.495SS..PPolyproline II helixtrans-59.9128.9175.520.1-27.6000110.1S387 A390P385-S387 PolarHBondContact O-N 3.22Å; P385-A390 HydrophobicContact CB-CB 4.43Å; P385-A390 HydrophobicContact CG-CB 3.55Å
386S52.8Low56.3Low70 Ų7092.3 Ų92.349%0.4952%0.521SS..SBendtrans-65-21.3-174.847.20000113.3F384 R391F384-S386 PolarHBondContact O-N 3.41Å; S386-R391 PolarHBondContact O-NH1 3.05Å
387S61.1Low58.3Low89 Ų8993.5 Ų93.562%0.62251%0.514SS*.SBendtrans-156.1167.4178.6630000111.9P385P385-S387 PolarHBondContact O-N 3.22Å
388G74.2Confident60.6Low43 Ų4394.4 Ų94.444%0.44352%0.516SS..SBendtrans101-175.517100000116.5A390 R391 Q392G388-A390 VanDerWaalsContact C-N 3.26Å; G388-A390 PolarHBondContact O-N 3.3Å; G388-R391 PolarHBondContact O-N 3.45Å; G388-R391 VanDerWaalsContact O-N 3.08Å; G388-Q392 PolarHBondContact O-N 3.45Å
389R62.6Low62.8Low185 Ų185101 Ų10170%0.69854%0.54SS*.Hα-helixtrans-56.7-36.6-175.4-169.5174.6-177.6167.8-1.3112.7R391 Q392 L393R389-R391 VanDerWaalsContact C-N 3.35Å; R389-R391 PolarHBondContact O-N 3.07Å; R389-Q392 PolarHBondContact O-N 3.48Å; R389-L393 WeakPolarHBondContact O-CG 3.22Å; R389-L393 PolarHBondContact O-N 3.08Å
390A60.4Low64.8Low49 Ų4998 Ų9841%0.40551%0.508SS..Hα-helixtrans-62.1-39.7177.400000112.5P385 G388 L393 V394P385-A390 HydrophobicContact CB-CB 4.43Å; P385-A390 HydrophobicContact CG-CB 3.55Å; G388-A390 VanDerWaalsContact C-N 3.26Å; G388-A390 PolarHBondContact O-N 3.3Å; A390-L393 PolarHBondContact O-N 2.8Å; A390-V394 WeakPolarHBondContact O-CG2 3.5Å; A390-V394 PolarHBondContact O-N 2.81Å; A390-V394 VanDerWaalsContact O-N 3.14Å
391R69.2Low67Low104 Ų10495.1 Ų95.139%0.39250%0.497SS..Hα-helixtrans-68.6-40.1176.5-169.7-179.6174.7145.27.5111.9S386 G388 R389 L393 V394 E395S386-R391 PolarHBondContact O-NH1 3.05Å; G388-R391 PolarHBondContact O-N 3.45Å; G388-R391 VanDerWaalsContact O-N 3.08Å; R389-R391 VanDerWaalsContact C-N 3.35Å; R389-R391 PolarHBondContact O-N 3.07Å; R391-L393 VanDerWaalsContact C-N 3.28Å; R391-L393 PolarHBondContact O-N 2.93Å; R391-V394 PolarHBondContact O-N 2.78Å; R391-E395 IonicContact NE-OE1 3.99Å; R391-E395 PolarHBondContact NE-OE1 3.26Å; R391-E395 PolarHBondContact O-N 3.44Å
392Q74.8Confident69Low133 Ų13398.6 Ų98.662%0.62150%0.503SS*.Hα-helixtrans-61.3-37.2175.4-65.61776.500112.1G388 R389 R396G388-Q392 PolarHBondContact O-N 3.45Å; R389-Q392 PolarHBondContact O-N 3.48Å; Q392-R396 VanDerWaalsContact O-CB 3.28Å; Q392-R396 WeakPolarHBondContact O-CB 3.4Å; Q392-R396 PolarHBondContact O-N 2.94Å
393L71.4Confident71.1Confident110 Ų110100.5 Ų100.558%0.57651%0.509SS*.Hα-helixtrans-65.4-43.5174.5-72.5169.8000111.9R389 A390 R391 R396 W397R389-L393 WeakPolarHBondContact O-CG 3.22Å; R389-L393 PolarHBondContact O-N 3.08Å; A390-L393 PolarHBondContact O-N 2.8Å; R391-L393 VanDerWaalsContact C-N 3.28Å; R391-L393 PolarHBondContact O-N 2.93Å; L393-R396 PolarHBondContact O-N 3.22Å; L393-W397 WeakPolarHBondContact O-CB 3.47Å; L393-W397 PolarHBondContact O-N 3.29Å
394V70Confident72.7Confident43 Ų43100.1 Ų100.126%0.26150%0.504SS..Hα-helixtrans-63.2-44175.8173.10000111.2F384 A390 R391 R396 W397 N398F384-V394 HydrophobicContact CD1-CG1 4.04Å; F384-V394 HydrophobicContact CD1-CG2 4.03Å; F384-V394 HydrophobicContact CE1-CG1 3.73Å; F384-V394 HydrophobicContact CE1-CG2 3.98Å; F384-V394 HydrophobicContact CZ-CG1 4.47Å; A390-V394 WeakPolarHBondContact O-CG2 3.5Å; A390-V394 PolarHBondContact O-N 2.81Å; A390-V394 VanDerWaalsContact O-N 3.14Å; R391-V394 PolarHBondContact O-N 2.78Å; V394-R396 VanDerWaalsContact C-N 3.35Å; V394-R396 PolarHBondContact O-N 3.43Å; V394-W397 PolarHBondContact O-N 3.46Å; V394-N398 WeakPolarHBondContact O-CB 3.39Å; V394-N398 VanDerWaalsContact O-CG 3.26Å; V394-N398 PolarHBondContact O-N 3.09Å; V394-N398 PolarHBondContact O-ND2 3.38Å
395E75.8Confident74.2Confident86 Ų8698.9 Ų98.940%0.40250%0.499SS..Hα-helixtrans-64.4-39176.5-75.1177-166.900112.1R391 N398 K399R391-E395 IonicContact NE-OE1 3.99Å; R391-E395 PolarHBondContact NE-OE1 3.26Å; R391-E395 PolarHBondContact O-N 3.44Å; E395-N398 PolarHBondContact O-N 3.49Å; E395-K399 WeakPolarHBondContact O-CB 3.48Å; E395-K399 WeakPolarHBondContact O-CG 3.31Å; E395-K399 PolarHBondContact O-N 3.19Å
396R78.3Confident75.5Confident194 Ų194101.7 Ų101.773%0.73251%0.507SS*.Hα-helixtrans-66-41.2174.9-175.4172.6178.3167.6-0.9111.8Q392 L393 V394 K399 M400Q392-R396 VanDerWaalsContact O-CB 3.28Å; Q392-R396 WeakPolarHBondContact O-CB 3.4Å; Q392-R396 PolarHBondContact O-N 2.94Å; L393-R396 PolarHBondContact O-N 3.22Å; V394-R396 VanDerWaalsContact C-N 3.35Å; V394-R396 PolarHBondContact O-N 3.43Å; R396-K399 PolarHBondContact O-N 2.76Å; R396-M400 PolarHBondContact O-N 3.3Å; R396-M400 VanDerWaalsContact O-N 3.14Å
397W79.7Confident76.6Confident111 Ų111101.5 Ų101.542%0.4250%0.503SS..Hα-helixtrans-60.2-50.2173.9-178.8-87.5000111.1L393 V394 K399 M400 Q405 V408L393-W397 WeakPolarHBondContact O-CB 3.47Å; L393-W397 PolarHBondContact O-N 3.29Å; V394-W397 PolarHBondContact O-N 3.46Å; W397-K399 VanDerWaalsContact C-N 3.26Å; W397-K399 PolarHBondContact O-N 2.8Å; W397-M400 HydrophobicContact CD2-CE 4.38Å; W397-M400 HydrophobicContact CE3-CE 3.83Å; W397-M400 HydrophobicContact CH2-CE 4.41Å; W397-M400 HydrophobicContact CZ3-CE 3.85Å; W397-M400 WeakPolarHBondContact O-CB 3.29Å; W397-M400 PolarHBondContact O-N 3.33Å; W397-Q405 HydrophobicContact CH2-CB 4.47Å; W397-Q405 HydrophobicContact CZ2-CB 4.07Å; W397-Q405 HydrophobicContact CZ2-CG 4.14Å; W397-Q405 PolarHBondContact O-NE2 3.31Å; W397-V408 HydrophobicContact CH2-CB 4.14Å; W397-V408 HydrophobicContact CH2-CG1 3.97Å; W397-V408 HydrophobicContact CZ3-CB 4.08Å; W397-V408 HydrophobicContact CZ3-CG1 3.7Å
398N80.8Confident77Confident111 Ų111100.4 Ų100.459%0.59449%0.493SS*.Hα-helixtrans-65.1-28.2-178.8-70.8-23.6000113.4V394 E395V394-N398 WeakPolarHBondContact O-CB 3.39Å; V394-N398 VanDerWaalsContact O-CG 3.26Å; V394-N398 PolarHBondContact O-N 3.09Å; V394-N398 PolarHBondContact O-ND2 3.38Å; E395-N398 PolarHBondContact O-N 3.49Å
399K85.9Confident76.8Confident173 Ų173100 Ų10075%0.75249%0.489SS*.THydrogen-bonded Turntrans-84.4-8.6174-72.7180-179.9178.60113.7E395 R396 W397E395-K399 WeakPolarHBondContact O-CB 3.48Å; E395-K399 WeakPolarHBondContact O-CG 3.31Å; E395-K399 PolarHBondContact O-N 3.19Å; R396-K399 PolarHBondContact O-N 2.76Å; W397-K399 VanDerWaalsContact C-N 3.26Å; W397-K399 PolarHBondContact O-N 2.8Å
400M86.4Confident76.9Confident46 Ų4698.6 Ų98.623%0.22748%0.484CS..SBendtrans-75.5134.7-178.5-166.7162.168.400109.8R396 W397 N404 Q405 V408R396-M400 PolarHBondContact O-N 3.3Å; R396-M400 VanDerWaalsContact O-N 3.14Å; W397-M400 HydrophobicContact CD2-CE 4.38Å; W397-M400 HydrophobicContact CE3-CE 3.83Å; W397-M400 HydrophobicContact CH2-CE 4.41Å; W397-M400 HydrophobicContact CZ3-CE 3.85Å; W397-M400 WeakPolarHBondContact O-CB 3.29Å; W397-M400 PolarHBondContact O-N 3.33Å; M400-N404 HydrophobicContact CE-CB 4.4Å; M400-N404 HydrophobicContact CG-CB 3.52Å; M400-N404 HydrophobicContact SD-CB 3.93Å; M400-Q405 HydrophobicContact CB-CG 4.1Å; M400-Q405 HydrophobicContact CE-CB 4.21Å; M400-Q405 HydrophobicContact CE-CG 3.6Å; M400-Q405 HydrophobicContact CG-CG 4.38Å; M400-Q405 PolarHBondContact O-NE2 3.3Å; M400-V408 HydrophobicContact CE-CG2 4.02Å
401P89.9Confident77Confident80 Ų8099.5 Ų99.552%0.51948%0.484SS..  trans-52.1146.5175.3-26.934.2000112E403 N404 Q405P401-E403 PolarHBondContact O-N 3.3Å; P401-N404 WeakPolarHBondContact O-CB 3.35Å; P401-N404 PolarHBondContact O-N 3.43Å; P401-Q405 PolarHBondContact O-N 2.99Å
402L83.7Confident76.5Confident120 Ų12096.5 Ų96.563%0.62848%0.481SS*.Hα-helixtrans-57.9-38.3-175.8-167.772.9000112.1N404 Q405 Q406L402-N404 VanDerWaalsContact C-N 3.35Å; L402-N404 PolarHBondContact O-N 3.16Å; L402-Q405 PolarHBondContact O-N 3.38Å; L402-Q406 WeakPolarHBondContact O-CG 3.48Å; L402-Q406 PolarHBondContact O-N 3.41Å
403E83.9Confident75.4Confident144 Ų14492.6 Ų92.667%0.67347%0.469SS*.Hα-helixtrans-59.1-44.2175.9-173.2172.7-171.200111.9P401 Q405 Q406 T407P401-E403 PolarHBondContact O-N 3.3Å; E403-Q405 PolarHBondContact O-N 3.3Å; E403-Q406 WeakPolarHBondContact O-CB 3.4Å; E403-Q406 PolarHBondContact O-N 2.79Å; E403-T407 PolarHBondContact O-N 3.41Å; E403-T407 PolarHBondContact O-OG1 3.31Å; E403-T407 VanDerWaalsContact O-OG1 3.08Å
404N83.2Confident74.6Confident81 Ų8193.6 Ų93.643%0.43347%0.47SS..Hα-helixtrans-67.4-36.7176.5-71.1-1.3000111.9M400 P401 L402 Q406 T407 V408M400-N404 HydrophobicContact CE-CB 4.4Å; M400-N404 HydrophobicContact CG-CB 3.52Å; M400-N404 HydrophobicContact SD-CB 3.93Å; P401-N404 WeakPolarHBondContact O-CB 3.35Å; P401-N404 PolarHBondContact O-N 3.43Å; L402-N404 VanDerWaalsContact C-N 3.35Å; L402-N404 PolarHBondContact O-N 3.16Å; N404-Q406 VanDerWaalsContact C-N 3.33Å; N404-T407 PolarHBondContact O-N 3.23Å; N404-V408 WeakPolarHBondContact O-CG2 3.39Å; N404-V408 PolarHBondContact O-N 3.07Å
405Q79.3Confident73.4Confident45 Ų4597.8 Ų97.821%0.2149%0.49CS..Hα-helixtrans-64-39.4173.6-65.8-177.829.900111.6W397 M400 P401 L402 E403 V408 G409W397-Q405 HydrophobicContact CH2-CB 4.47Å; W397-Q405 HydrophobicContact CZ2-CB 4.07Å; W397-Q405 HydrophobicContact CZ2-CG 4.14Å; W397-Q405 PolarHBondContact O-NE2 3.31Å; M400-Q405 HydrophobicContact CB-CG 4.1Å; M400-Q405 HydrophobicContact CE-CB 4.21Å; M400-Q405 HydrophobicContact CE-CG 3.6Å; M400-Q405 HydrophobicContact CG-CG 4.38Å; M400-Q405 PolarHBondContact O-NE2 3.3Å; P401-Q405 PolarHBondContact O-N 2.99Å; L402-Q405 PolarHBondContact O-N 3.38Å; E403-Q405 PolarHBondContact O-N 3.3Å; Q405-V408 PolarHBondContact O-N 3.29Å; Q405-G409 PolarHBondContact O-N 3.46Å
406Q81.3Confident72.2Confident118 Ų11899.6 Ų99.655%0.55150%0.502SS*.Hα-helixtrans-65.6-41.7175.5-71.8174.70.800112L402 E403 N404 G409 R410L402-Q406 WeakPolarHBondContact O-CG 3.48Å; L402-Q406 PolarHBondContact O-N 3.41Å; E403-Q406 WeakPolarHBondContact O-CB 3.4Å; E403-Q406 PolarHBondContact O-N 2.79Å; N404-Q406 VanDerWaalsContact C-N 3.33Å; Q406-G409 PolarHBondContact O-N 2.87Å; Q406-R410 WeakPolarHBondContact O-CB 3.48Å; Q406-R410 PolarHBondContact O-N 3.05Å
407T76.6Confident70.4Confident66 Ų6693.3 Ų93.341%0.40550%0.498SS..Hα-helixtrans-61.8-46175.3-58.50000111.1E403 N404 G409 R410 V411E403-T407 PolarHBondContact O-N 3.41Å; E403-T407 PolarHBondContact O-OG1 3.31Å; E403-T407 VanDerWaalsContact O-OG1 3.08Å; N404-T407 PolarHBondContact O-N 3.23Å; T407-G409 VanDerWaalsContact C-N 3.31Å; T407-G409 PolarHBondContact O-N 2.85Å; T407-R410 WeakPolarHBondContact O-CB 3.27Å; T407-R410 PolarHBondContact O-N 3.36Å; T407-V411 WeakPolarHBondContact O-CG2 3.29Å; T407-V411 PolarHBondContact O-N 3.3Å
408V68.8Low68.4Low66 Ų6696 Ų9640%0.451%0.513SS..Hα-helixtrans-62.2-40.3175.4177.30000111.2W397 M400 N404 Q405 R410 V411 A412W397-V408 HydrophobicContact CH2-CB 4.14Å; W397-V408 HydrophobicContact CH2-CG1 3.97Å; W397-V408 HydrophobicContact CZ3-CB 4.08Å; W397-V408 HydrophobicContact CZ3-CG1 3.7Å; M400-V408 HydrophobicContact CE-CG2 4.02Å; N404-V408 WeakPolarHBondContact O-CG2 3.39Å; N404-V408 PolarHBondContact O-N 3.07Å; Q405-V408 PolarHBondContact O-N 3.29Å; V408-R410 PolarHBondContact O-N 2.79Å; V408-V411 PolarHBondContact O-N 3.46Å; V408-A412 WeakPolarHBondContact O-CB 3.07Å; V408-A412 PolarHBondContact O-N 3.39Å
409G70.2Confident66Low36 Ų3696.6 Ų96.637%0.37152%0.522SS..Hα-helixtrans-61.2-40.4174.300000113.3Q405 Q406 T407 A412 S413Q405-G409 PolarHBondContact O-N 3.46Å; Q406-G409 PolarHBondContact O-N 2.87Å; T407-G409 VanDerWaalsContact C-N 3.31Å; T407-G409 PolarHBondContact O-N 2.85Å; G409-A412 PolarHBondContact O-N 3.3Å; G409-S413 PolarHBondContact O-N 2.82Å; G409-S413 PolarHBondContact O-OG 3.18Å
410R66.2Low63.6Low154 Ų15496.3 Ų96.358%0.58152%0.523SS*.Hα-helixtrans-65.2-51.2176.6-170.4-172.8-55.1174.64.6111.4Q406 T407 V408 A412 S413 E414Q406-R410 WeakPolarHBondContact O-CB 3.48Å; Q406-R410 PolarHBondContact O-N 3.05Å; T407-R410 WeakPolarHBondContact O-CB 3.27Å; T407-R410 PolarHBondContact O-N 3.36Å; V408-R410 PolarHBondContact O-N 2.79Å; R410-A412 VanDerWaalsContact C-N 3.28Å; R410-A412 PolarHBondContact O-N 3.46Å; R410-S413 WeakPolarHBondContact CA-OG 3.48Å; R410-S413 PolarHBondContact O-N 2.93Å; R410-S413 PolarHBondContact O-OG 3.06Å; R410-E414 PolarHBondContact O-N 3.29Å
411V62Low61Low68 Ų6899.9 Ų99.941%0.41255%0.548SS..Hα-helixtrans-59.6-41.7176.9174.90000110.5T407 V408 S413 E414 I415T407-V411 WeakPolarHBondContact O-CG2 3.29Å; T407-V411 PolarHBondContact O-N 3.3Å; V408-V411 PolarHBondContact O-N 3.46Å; V411-S413 VanDerWaalsContact C-N 3.29Å; V411-S413 PolarHBondContact O-N 3.32Å; V411-E414 PolarHBondContact O-N 2.91Å; V411-I415 HydrophobicContact CG1-CD1 3.83Å; V411-I415 HydrophobicContact CG1-CG1 4.44Å; V411-I415 VanDerWaalsContact O-CG1 3.23Å; V411-I415 WeakPolarHBondContact O-CG1 3.29Å; V411-I415 PolarHBondContact O-N 2.82Å
412A59.2Low58.1Low41 Ų41103.2 Ų103.234%0.33956%0.561SS.*Hα-helixtrans-64.3-31.4176.300000113.1V408 G409 R410 N416V408-A412 WeakPolarHBondContact O-CB 3.07Å; V408-A412 PolarHBondContact O-N 3.39Å; G409-A412 PolarHBondContact O-N 3.3Å; R410-A412 VanDerWaalsContact C-N 3.28Å; R410-A412 PolarHBondContact O-N 3.46Å; A412-N416 WeakPolarHBondContact O-CB 3.4Å; A412-N416 PolarHBondContact O-N 2.91Å; A412-N416 VanDerWaalsContact O-N 3.16Å; A412-N416 PolarHBondContact O-ND2 2.99Å
413S50.3Low55.4Low51 Ų51103.4 Ų103.436%0.35756%0.562SS.*Hα-helixtrans-82.2-30177.134.70000113.1G409 R410 V411 G417 K418G409-S413 PolarHBondContact O-N 2.82Å; G409-S413 PolarHBondContact O-OG 3.18Å; R410-S413 WeakPolarHBondContact CA-OG 3.48Å; R410-S413 PolarHBondContact O-N 2.93Å; R410-S413 PolarHBondContact O-OG 3.06Å; V411-S413 VanDerWaalsContact C-N 3.29Å; V411-S413 PolarHBondContact O-N 3.32Å; S413-G417 PolarHBondContact O-N 3.03Å; S413-K418 PolarHBondContact O-N 3.32Å
414E55.5Low52.5Low131 Ų131105.2 Ų105.261%0.61257%0.571SS**Hα-helixtrans-64.4-46.2168.1-75170.4-169.900111.2R410 V411 N416 G417R410-E414 PolarHBondContact O-N 3.29Å; V411-E414 PolarHBondContact O-N 2.91Å; E414-N416 VanDerWaalsContact C-N 3.33Å; E414-N416 PolarHBondContact O-N 3.04Å; E414-G417 PolarHBondContact O-N 3.33Å
415I45.1Very low49.8Very low131 Ų131111.7 Ų111.767%0.67259%0.589SS**Hα-helixtrans-61.6-41.9176.4-67.5166.4000111.1V411 G417V411-I415 HydrophobicContact CG1-CD1 3.83Å; V411-I415 HydrophobicContact CG1-CG1 4.44Å; V411-I415 VanDerWaalsContact O-CG1 3.23Å; V411-I415 WeakPolarHBondContact O-CG1 3.29Å; V411-I415 PolarHBondContact O-N 2.82Å; I415-G417 VanDerWaalsContact C-N 3.33Å; I415-G417 PolarHBondContact O-N 2.87Å
416N49.6Very low47.1Very low124 Ų124118.9 Ų118.966%0.66362%0.619SS**THydrogen-bonded Turntrans-89.88.4-177.6-66.9-53.5000114.1A412 E414 K418A412-N416 WeakPolarHBondContact O-CB 3.4Å; A412-N416 PolarHBondContact O-N 2.91Å; A412-N416 VanDerWaalsContact O-N 3.16Å; A412-N416 PolarHBondContact O-ND2 2.99Å; E414-N416 VanDerWaalsContact C-N 3.33Å; E414-N416 PolarHBondContact O-N 3.04Å; N416-K418 VanDerWaalsContact C-N 3.31Å; N416-K418 PolarHBondContact O-N 2.68Å; N416-K418 VanDerWaalsContact O-N 3.17Å
417G40.5Very low44.3Very low62 Ų62123.1 Ų123.164%0.63964%0.636SS**THydrogen-bonded Turntrans61.125.7166.700000116.6S413 E414 I415S413-G417 PolarHBondContact O-N 3.03Å; E414-G417 PolarHBondContact O-N 3.33Å; I415-G417 VanDerWaalsContact C-N 3.33Å; I415-G417 PolarHBondContact O-N 2.87Å
418K37.3Very low41.8Very low169 Ų169126.9 Ų126.974%0.73565%0.653SS**  trans-131116.7178.9-78.1-175.3-180175.90113.1S413 N416 H420S413-K418 PolarHBondContact O-N 3.32Å; N416-K418 VanDerWaalsContact C-N 3.31Å; N416-K418 PolarHBondContact O-N 2.68Å; N416-K418 VanDerWaalsContact O-N 3.17Å; K418-H420 PolarHBondContact O-N 2.96Å
419P31.3Very low39.7Very low122 Ų122129.1 Ų129.179%0.79267%0.669SS**  trans-76.7114.3173.229.8-29.5000109.6V421P419-V421 PolarHBondContact O-N 2.71Å
420H35.2Very low37.7Very low167 Ų167134.1 Ų134.177%0.77369%0.692SS**  trans-9099.2173.6-153.6-73.1000109.7K418 L422K418-H420 PolarHBondContact O-N 2.96Å; H420-L422 PolarHBondContact O-N 3.2Å
421V32.9Very low35.8Very low122 Ų122134.6 Ų134.674%0.73970%0.701SS**  trans-67.6112.1163.9-179.20000107.2P419 N423P419-V421 PolarHBondContact O-N 2.71Å; V421-N423 VanDerWaalsContact C-N 3.26Å; V421-N423 PolarHBondContact O-N 3.11Å
422L28.4Very low34.2Very low150 Ų150137.5 Ų137.579%0.78572%0.721SS**  trans-67.877.4-178.4-126.9143.9000109.9H420 Q424H420-L422 PolarHBondContact O-N 3.2Å; L422-Q424 PolarHBondContact O-N 3.14Å
423N26.2Very low32.7Very low124 Ų124145.3 Ų145.366%0.66375%0.747SS**  trans-80.8103.1176.3-133.8-17.6000108.6V421 R425V421-N423 VanDerWaalsContact C-N 3.26Å; V421-N423 PolarHBondContact O-N 3.11Å; N423-R425 PolarHBondContact O-N 3.17Å
424Q24.1Very low31.6Very low182 Ų182147.9 Ų147.985%0.8577%0.771SS**  trans-6078.4176.1-64.9174.9-2.500110.7L422 K426L422-Q424 PolarHBondContact O-N 3.14Å; Q424-K426 PolarHBondContact O-N 3.07Å
425R25.1Very low30.4Very low216 Ų216146.5 Ų146.582%0.81578%0.776SS**  trans-92.299.5169.3-79-173.1177.1-179.70108.9N423 F427N423-R425 PolarHBondContact O-N 3.17Å; R425-F427 PolarHBondContact O-N 2.93Å
426K23.5Very low29.6Very low196 Ų196145 Ų14585%0.85278%0.783SS**  trans-34.5121.2162.1-97.4172170.4173.50110.3Q424 I428Q424-K426 PolarHBondContact O-N 3.07Å; K426-I428 PolarHBondContact O-N 3.05Å
427F22Very low28.6Very low207 Ų207150.4 Ų150.491%0.90880%0.795SS**  trans-52.5115.8167.8-93.7-104000109.5R425R425-F427 PolarHBondContact O-N 2.93Å
428I24.7Very low28.1Very low146 Ų146156.6 Ų156.675%0.74980%0.804SS**  trans-102.8117.3159-59.7176.6000105.6K426 V430K426-I428 PolarHBondContact O-N 3.05Å; I428-V430 PolarHBondContact O-N 2.93Å
429P24.2Very low27.7Very low113 Ų113154.6 Ų154.673%0.73481%0.808SS**  trans-59121.5179.7-22.432.9000110.9
430V28Very low27.8Very low141 Ų141155.4 Ų155.486%0.85581%0.811SS**  trans-88.3110.6170.5178.80000107.2I428I428-V430 PolarHBondContact O-N 2.93Å
431E26.4Very low27.5Very low164 Ų164156.3 Ų156.377%0.76682%0.815SS**  trans-61.1144.1174.1-68.5-174.7160.200111.3K433E431-K433 PolarHBondContact O-N 2.85Å; E431-K433 VanDerWaalsContact O-N 3.11Å
432P29.4Very low27.4Very low129 Ų129159.5 Ų159.584%0.83882%0.822SS**  trans-71.9109.3-175.40.713.9000110A434P432-A434 PolarHBondContact O-N 3.23Å; P432-A434 VanDerWaalsContact O-N 3.07Å
433K27.5Very low27.3Very low204 Ų204162.2 Ų162.289%0.88783%0.827SS**  trans-71.4104169.7-77-176.5176.3177.80109.6E431 S435E431-K433 PolarHBondContact O-N 2.85Å; E431-K433 VanDerWaalsContact O-N 3.11Å; K433-S435 PolarHBondContact O-N 3.18Å
434A27.2Very low27.7Very low105 Ų105161 Ų16187%0.86883%0.826SS**  trans-56.598.9165.100000110P432P432-A434 PolarHBondContact O-N 3.23Å; P432-A434 VanDerWaalsContact O-N 3.07Å
435S29.5Very low28Very low103 Ų103161.7 Ų161.772%0.7283%0.826SS**  trans-96.7101.5170.7-171.30000108.9K433 R437K433-S435 PolarHBondContact O-N 3.18Å; S435-R437 PolarHBondContact O-N 3.2Å
436A28.5Very low28.3Very low99 Ų99160.3 Ų160.382%0.81883%0.829SS**  trans-58.3100.9172.900000110.3
437R29.4Very low28.5Very low238 Ų238159 Ų15990%0.89883%0.83SS**PPolyproline II helixtrans-86.3117.4165.5-76-173.6177.9-164.3-0.1108.9S435S435-R437 PolarHBondContact O-N 3.2Å
438K29Very low28.9Very low191 Ų191156.2 Ų156.283%0.8383%0.831SS**PPolyproline II helixtrans-60.6153.6175-80.4179.6175.2179.40111.4V440K438-V440 PolarHBondContact O-N 3.38Å
439P30Very low29.2Very low128 Ų128154.7 Ų154.783%0.83183%0.833SS**PPolyproline II helixtrans-68.2124.6-173.4-9.725.9000110.3
440V32.1Very low29.5Very low139 Ų139157.6 Ų157.684%0.84284%0.837SS**PPolyproline II helixtrans-80123.3168.2176.30000107.8K438 Q442K438-V440 PolarHBondContact O-N 3.38Å; V440-Q442 PolarHBondContact O-N 3.44Å
441E29.2Very low29.4Very low186 Ų186159.1 Ų159.187%0.86984%0.839SS**PPolyproline II helixtrans-57.2124.6-175.7-152.9168.8-178.800111.5K443E441-K443 PolarHBondContact O-N 2.8Å
442Q30.3Very low29.5Very low188 Ų188160.9 Ų160.988%0.87984%0.844SS**  trans-73.9113177.1-69.3172.3-13.900109.4V440V440-Q442 PolarHBondContact O-N 3.44Å
443K28.2Very low29.5Very low207 Ų207163.2 Ų163.290%0.984%0.844SS**  trans-101.4113.2160.1-149.5174.1-173.8178.50108.9E441E441-K443 PolarHBondContact O-N 2.8Å
444P33Very low29.6Very low99 Ų99161 Ų16164%0.64384%0.842SS**  trans-87.5145.8-167.233.1-33.4000113.3
445K31.9Very low29.7Very low196 Ų196164 Ų16485%0.85284%0.835SS**  trans46.6102.5139.1-59.6173.8179.8178.30117.2
446Q31.3Very low29.6Very low188 Ų188165 Ų16588%0.87984%0.842SS**  trans-170.2105.7133.5-72.8-148.8-25.900107.7
447L27.6Very low29.8Very low167 Ų167168.6 Ų168.687%0.87484%0.842SS**SBendtrans177.129.2157-101.6163.9000114.6
448V30.3Very low29.9Very low150 Ų150165.7 Ų165.791%0.90984%0.836SS**SBendtrans-128.229.4-180-164.60000112.6
449S29.8Very low30Very low114 Ų114162.6 Ų162.680%0.79784%0.835SS**SBendtrans-1174.6179.650.50000115.7
450E30.1Very low30.2Very low174 Ų174165.2 Ų165.281%0.81384%0.836SS**SBendtrans-107.21.7-174.2-76.9-169.5159.100117.2
451L26.8Very low30.1Very low172 Ų172166.1 Ų166.190%0.90184%0.836SS**SBendtrans-133.416.9-174.3-77.2173.9000117.8
452K29.1Very low30.1Very low202 Ų202166.9 Ų166.988%0.87884%0.84SS**SBendtrans-14671.9171.8-72.6-170.2178.5179.60113
453Q28.9Very low30.1Very low178 Ų178162.4 Ų162.483%0.83284%0.835SS**  trans-168.669.2155.7-109.5167.93000110.5
454N29.8Very low30Very low157 Ų157162.7 Ų162.784%0.8483%0.832SS**SBendtrans-128.687.2153.7-87.6-31.4000108.3
455F29.5Very low29.7Very low168 Ų168163.7 Ų163.774%0.73784%0.84SS**  trans35.7100.8145-63.9-81000118.2H457F455-H457 PolarHBondContact O-N 3.2Å; F455-H457 VanDerWaalsContact O-N 3.08Å
456S26.6Very low29.4Very low124 Ų124158.9 Ų158.987%0.86783%0.831SS**  trans-50.399147.3173.30000110.6
457H33.7Very low29.6Very low174 Ų174154.9 Ų154.981%0.80682%0.824SS**PPolyproline II helixtrans-94.1136.4158.6-99-83.4000109.7F455F455-H457 PolarHBondContact O-N 3.2Å; F455-H457 VanDerWaalsContact O-N 3.08Å
458K31.6Very low29.6Very low177 Ų177155.7 Ų155.777%0.7782%0.823SS**PPolyproline II helixtrans-62.8154.4-172-81.2174.1171.3179.60113
459P31.2Very low29.6Very low127 Ų127153.9 Ų153.983%0.82582%0.817SS**PPolyproline II helixtrans-74.9125.6172.131.9-30.3000109.4
460E33.1Very low29.6Very low182 Ų182154.7 Ų154.785%0.8582%0.818SS**PPolyproline II helixtrans-97.3147.1173.9-62.1-171.8-173.300109.9
461D31.4Very low29.5Very low158 Ų158155 Ų15585%0.84582%0.819SS**PPolyproline II helixtrans-65.4153.4-158.9-64.1-62.6000115.7A463D461-A463 PolarHBondContact O-N 2.97Å; D461-A463 VanDerWaalsContact O-N 3.1Å
462E28.5Very low29.6Very low202 Ų202153.4 Ų153.494%0.94482%0.821SS**  trans-55101.9170.9-61.1172.2160.200111.3
463A30.3Very low29.5Very low94 Ų94148.2 Ų148.278%0.77782%0.816SS**  trans-100.997.6168.500000110.2D461 C465D461-A463 PolarHBondContact O-N 2.97Å; D461-A463 VanDerWaalsContact O-N 3.1Å; A463-C465 PolarHBondContact O-N 2.81Å
464Y26.1Very low29.6Very low213 Ų213148.9 Ų148.984%0.83582%0.816SS**  trans-57.5110.4166-168.3-97.9000110.1S466Y464-S466 WeakPolarHBondContact CD1-OG 3.41Å; Y464-S466 WeakPolarHBondContact CE1-OG 3.36Å
465C25.7Very low29.4Very low121 Ų121149.2 Ų149.282%0.81882%0.816SS**  trans-115.395.8167.7-100.90000109.4A463 S467A463-C465 PolarHBondContact O-N 2.81Å; C465-S467 PolarHBondContact O-N 2.96Å
466S27.1Very low29.3Very low94 Ų94144.1 Ų144.166%0.65781%0.811SS**  trans-65.8106.3157.6-7.60000108.1Y464Y464-S466 WeakPolarHBondContact CD1-OG 3.41Å; Y464-S466 WeakPolarHBondContact CE1-OG 3.36Å
467S33.6Very low29.3Very low104 Ų104147.3 Ų147.373%0.72781%0.812SS**  trans-121100.8162.660.50000108.6C465 S469C465-S467 PolarHBondContact O-N 2.96Å; S467-S469 PolarHBondContact O-N 3.1Å; S467-S469 VanDerWaalsContact O-N 3.14Å
468E28.2Very low29Very low184 Ų184150 Ų15086%0.8682%0.817SS**  trans-51.8105.6161.9-63.5167.1150.500109
469S29.8Very low28.8Very low112 Ų112149.8 Ų149.878%0.78382%0.818SS**  trans-107.292.5157.567.70000107.9S467 E471S467-S469 PolarHBondContact O-N 3.1Å; S467-S469 VanDerWaalsContact O-N 3.14Å; S469-E471 PolarHBondContact O-N 3.25Å
470T29.8Very low28.5Very low132 Ų132149.3 Ų149.381%0.8182%0.818SS**  trans-61.387.7172.448.40000111.3
471E28.9Very low28.3Very low180 Ų180146.9 Ų146.984%0.84182%0.815SS**  trans-15960.5165.7-142.8171.3-166.600114.3S469S469-E471 PolarHBondContact O-N 3.25Å
472C28.3Very low28.1Very low138 Ų138147.4 Ų147.493%0.93282%0.818SS**  trans-158.361.9160.6-96.10000109.8
473A27.5Very low28.1Very low94 Ų94140.8 Ų140.878%0.77780%0.804SS**  trans-13887.2172.200000109
474K30.6Very low27.9Very low191 Ų191146.6 Ų146.683%0.8381%0.812SS**  trans-164.8114.3157-105.6163.3-166.5-177.70111.6
475I26.9Very low28Very low164 Ų164142.7 Ų142.784%0.84181%0.81SS**  trans82.6120.6138.8-53.7158.7000116.8
476G27.3Very low28.2Very low61 Ų61141.4 Ų141.463%0.62980%0.803SS**  trans138.870.6145.600000115.2Y478G476-Y478 PolarHBondContact O-N 3.18Å
477Q26.4Very low28.4Very low192 Ų192145.9 Ų145.990%0.89781%0.813SS**  trans-52.7115.1162.8-69.4163.3-22.500110
478Y26.4Very low28.3Very low229 Ų229149.6 Ų149.690%0.89882%0.817SS**  trans-109.1131.8158.6-101.5-88.7000109.4G476G476-Y478 PolarHBondContact O-N 3.18Å
479H28.8Very low28.5Very low174 Ų174145 Ų14581%0.80680%0.803SS**  trans-59.2138.2-169.5-85.4-100.1000113.6T481H479-T481 PolarHBondContact O-N 3.29Å
480S24.4Very low28.7Very low116 Ų116144.1 Ų144.181%0.81179%0.793SS**  trans-53.9120.5165.5-144.80000110.6
481T29.4Very low29.3Very low131 Ų131142.6 Ų142.680%0.80479%0.785SS**  trans-125.8128.2159.949.60000109.3H479H479-T481 PolarHBondContact O-N 3.29Å
482N26.2Very low30Very low169 Ų169136.6 Ų136.690%0.90477%0.771SS**  trans-54134.1-176.5-64.1-46.3000112.8
483G28.1Very low30.6Very low63 Ų63134.6 Ų134.665%0.64975%0.75SS**  trans-179.164.5173.100000114.9T485G483-T485 PolarHBondContact O-N 3.33Å; G483-T485 VanDerWaalsContact O-N 3.08Å
484K26.4Very low31.5Very low217 Ų217133.7 Ų133.794%0.94374%0.735SS**  trans21.676.7153.7-66.4178.3176.1177.70115.7S486K484-S486 PolarHBondContact O-N 2.94Å
485T28.3Very low32.3Very low130 Ų130133.8 Ų133.880%0.79873%0.731SS**  trans-79.1119.716748.10000109G483 E487G483-T485 PolarHBondContact O-N 3.33Å; G483-T485 VanDerWaalsContact O-N 3.08Å; T485-E487 PolarHBondContact O-N 3.18Å
486S29.2Very low33.2Very low94 Ų94131.1 Ų131.166%0.65772%0.718SS**  trans-47.4118.8172.257.40000110.4K484 F488K484-S486 PolarHBondContact O-N 2.94Å; S486-F488 PolarHBondContact O-N 2.92Å
487E32.3Very low33.8Very low188 Ų188132.5 Ų132.588%0.87971%0.71SS**  trans-61.1101.1172.6-70.7177.4158.600108.6T485T485-E487 PolarHBondContact O-N 3.18Å
488F30.9Very low35Very low182 Ų182127.7 Ų127.780%0.79869%0.694SS**PPolyproline II helixtrans-57.8128.3160.5-83.6-88.4000107.3S486 T490S486-F488 PolarHBondContact O-N 2.92Å; F488-T490 PolarHBondContact O-N 3.01Å; F488-T490 VanDerWaalsContact O-N 3.15Å
489P32.6Very low35.9Very low88 Ų88119.6 Ų119.657%0.57168%0.675SS**PPolyproline II helixtrans-61125-17823-30.5000108.8
490T34.9Very low36.7Very low94 Ų94117.4 Ų117.458%0.57766%0.663SS**PPolyproline II helixtrans-52.6143.7-179.341.20000110.8F488 G492 I493F488-T490 PolarHBondContact O-N 3.01Å; F488-T490 VanDerWaalsContact O-N 3.15Å; T490-G492 PolarHBondContact O-N 3.31Å; T490-I493 PolarHBondContact O-N 3.35Å
491P41.4Very low37.8Very low100 Ų100118.8 Ų118.865%0.64965%0.654SS**Hα-helixtrans-57.4-5.6-173.2-25.533.2000116.6
492G44Very low38.6Very low53 Ų53116 Ų11655%0.54664%0.64SS.*Hα-helixtrans-78-33.4173.900000114.1T490T490-G492 PolarHBondContact O-N 3.31Å
493I40.9Very low39.4Very low96 Ų96111 Ų11149%0.49262%0.622SS.*Hα-helixtrans-75-35.9-175.6-61174.9000110.5T490 R495 N496 L497T490-I493 PolarHBondContact O-N 3.35Å; I493-R495 VanDerWaalsContact C-N 3.34Å; I493-R495 PolarHBondContact O-N 3.37Å; I493-N496 PolarHBondContact O-N 3.24Å; I493-N496 VanDerWaalsContact O-N 3.15Å; I493-L497 PolarHBondContact O-N 3Å
494T45.2Very low39.9Very low75 Ų75113.7 Ų113.746%0.4662%0.621SS.*Hα-helixtrans-65.1-35.7-178.7-21.20000112.4N496 L497 V498T494-N496 VanDerWaalsContact C-N 3.28Å; T494-N496 PolarHBondContact O-N 2.95Å; T494-L497 PolarHBondContact O-N 3.25Å; T494-V498 WeakPolarHBondContact O-CG2 3.14Å; T494-V498 PolarHBondContact O-N 2.93Å
495R48.3Very low40.5Very low194 Ų194107.1 Ų107.173%0.73260%0.602SS**Hα-helixtrans-64.3-33175.5-77.1-170.7179.7107-3.6112.7I493 A499I493-R495 VanDerWaalsContact C-N 3.34Å; I493-R495 PolarHBondContact O-N 3.37Å; R495-A499 PolarHBondContact O-N 3.25Å
496N46.4Very low41.3Very low107 Ų107104.7 Ų104.757%0.57260%0.595SS**Hα-helixtrans-75.5-34-178.2-143-43.5000111.9I493 T494 K500I493-N496 PolarHBondContact O-N 3.24Å; I493-N496 VanDerWaalsContact O-N 3.15Å; T494-N496 VanDerWaalsContact C-N 3.28Å; T494-N496 PolarHBondContact O-N 2.95Å; N496-K500 PolarHBondContact O-N 2.96Å; N496-K500 VanDerWaalsContact O-N 3.13Å
497L39.5Very low42Very low90 Ų90104.3 Ų104.347%0.47160%0.598SS.*Hα-helixtrans-69.8-43174.5-73.4173.4000112.3I493 T494 A499 K500 F501I493-L497 PolarHBondContact O-N 3Å; T494-L497 PolarHBondContact O-N 3.25Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.39Å; L497-K500 PolarHBondContact O-N 2.9Å; L497-K500 VanDerWaalsContact O-N 3.13Å; L497-F501 VanDerWaalsContact O-CD2 3.29Å; L497-F501 WeakPolarHBondContact O-CD2 3.37Å; L497-F501 PolarHBondContact O-N 3.29Å
498V51.3Low42.4Very low92 Ų92101.8 Ų101.856%0.55860%0.601SS**Hα-helixtrans-60.8-40.9176.9175.80000111.1T494 K500 F501 S502T494-V498 WeakPolarHBondContact O-CG2 3.14Å; T494-V498 PolarHBondContact O-N 2.93Å; V498-K500 PolarHBondContact O-N 3.09Å; V498-F501 PolarHBondContact O-N 3.27Å; V498-S502 PolarHBondContact O-N 3.44Å; V498-S502 PolarHBondContact O-OG 3.31Å
499A45.9Very low43Very low59 Ų5997.8 Ų97.849%0.48859%0.591SS.*Hα-helixtrans-63.1-40.1174.800000112.7R495 L497 A503R495-A499 PolarHBondContact O-N 3.25Å; L497-A499 VanDerWaalsContact C-N 3.3Å; L497-A499 PolarHBondContact O-N 3.39Å; A499-A503 WeakPolarHBondContact O-CB 3.47Å; A499-A503 PolarHBondContact O-N 3.38Å
500K45.5Very low43.5Very low128 Ų12898.3 Ų98.356%0.55759%0.592SS**Hα-helixtrans-65.1-42.4175.5-81-177.2174.7-173.40112.5N496 L497 V498 A503 L504N496-K500 PolarHBondContact O-N 2.96Å; N496-K500 VanDerWaalsContact O-N 3.13Å; L497-K500 PolarHBondContact O-N 2.9Å; L497-K500 VanDerWaalsContact O-N 3.13Å; V498-K500 PolarHBondContact O-N 3.09Å; K500-A503 PolarHBondContact O-N 3.3Å; K500-L504 PolarHBondContact O-N 3.45Å
501F47.4Very low44Very low145 Ų14598.5 Ų98.564%0.63659%0.593SS**Hα-helixtrans-68.1-39.1178.3-84.2-74.8000112.5L497 V498 A503 L504 S505L497-F501 VanDerWaalsContact O-CD2 3.29Å; L497-F501 WeakPolarHBondContact O-CD2 3.37Å; L497-F501 PolarHBondContact O-N 3.29Å; V498-F501 PolarHBondContact O-N 3.27Å; F501-A503 VanDerWaalsContact C-N 3.29Å; F501-A503 PolarHBondContact O-N 3.03Å; F501-L504 PolarHBondContact O-N 2.97Å; F501-S505 PolarHBondContact O-N 3.05Å
502S46.5Very low44.2Very low71 Ų7198.4 Ų98.450%0.49759%0.59SS.*Hα-helixtrans-64.7-32.6173.3-630000112.8V498 S505 A506V498-S502 PolarHBondContact O-N 3.44Å; V498-S502 PolarHBondContact O-OG 3.31Å; S502-S505 PolarHBondContact O-OG 3.24Å; S502-S505 VanDerWaalsContact O-OG 3.14Å; S502-A506 WeakPolarHBondContact O-CB 3.28Å; S502-A506 PolarHBondContact O-N 3.31Å
503A41.8Very low44.2Very low64 Ų64101.3 Ų101.353%0.52959%0.593SS.*Hα-helixtrans-71.1-36.317400000112.2A499 K500 F501 A506 A507A499-A503 WeakPolarHBondContact O-CB 3.47Å; A499-A503 PolarHBondContact O-N 3.38Å; K500-A503 PolarHBondContact O-N 3.3Å; F501-A503 VanDerWaalsContact C-N 3.29Å; F501-A503 PolarHBondContact O-N 3.03Å; A503-A506 PolarHBondContact O-N 3.49Å; A503-A507 WeakPolarHBondContact O-CB 3.36Å; A503-A507 PolarHBondContact O-N 3.47Å
504L38.6Very low44.4Very low120 Ų120101.6 Ų101.663%0.62860%0.599SS**Hα-helixtrans-69.2-39.8175.6-99.1132000112.5K500 F501 A506 A507 S508K500-L504 PolarHBondContact O-N 3.45Å; F501-L504 PolarHBondContact O-N 2.97Å; L504-A506 VanDerWaalsContact C-N 3.27Å; L504-A506 PolarHBondContact O-N 3.2Å; L504-A507 PolarHBondContact O-N 3.27Å; L504-S508 PolarHBondContact O-N 2.78Å
505S39.7Very low44.4Very low79 Ų79103.5 Ų103.555%0.55261%0.609SS**Hα-helixtrans-70.5-23.8175.769.90000113.2F501 S502 A507 S508F501-S505 PolarHBondContact O-N 3.05Å; S502-S505 PolarHBondContact O-OG 3.24Å; S502-S505 VanDerWaalsContact O-OG 3.14Å; S505-A507 VanDerWaalsContact C-N 3.35Å; S505-S508 PolarHBondContact O-OG 3.4Å
506A44.5Very low44Very low79 Ų7996.5 Ų96.565%0.65360%0.6SS**Hα-helixtrans-81.2-16.8173.400000112.9S502 A503 L504S502-A506 WeakPolarHBondContact O-CB 3.28Å; S502-A506 PolarHBondContact O-N 3.31Å; A503-A506 PolarHBondContact O-N 3.49Å; L504-A506 VanDerWaalsContact C-N 3.27Å; L504-A506 PolarHBondContact O-N 3.2Å
507A44.1Very low43.9Very low87 Ų8795.7 Ų95.772%0.71960%0.602SS**Hα-helixtrans-92.2-24.3-179.100000113.9A503 L504 S505A503-A507 WeakPolarHBondContact O-CB 3.36Å; A503-A507 PolarHBondContact O-N 3.47Å; L504-A507 PolarHBondContact O-N 3.27Å; S505-A507 VanDerWaalsContact C-N 3.35Å
508S41.5Very low44.2Very low134 Ų13496.2 Ų96.294%0.93761%0.614SS**  trans-76.40167.365.80000111L504 S505L504-S508 PolarHBondContact O-N 2.78Å; S505-S508 PolarHBondContact O-OG 3.4Å

Retrieved 508 of 508 residues in 66.5 ms (Link to these results)