B4DF87_HUMAN Loading...

cDNA FLJ59491, highly similar to Nuclear receptor coactivator 4

AlphaFold DB , UniProt , Accession B4DF87, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 514 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
1M40.1Very low30.2Very low237 Ų237174.1 Ų174.1100%1.16784%0.839SS**  096.70-159.5156.517000106.9
2N25.6Very low30.2Very low153 Ų153178.5 Ų178.582%0.81884%0.84SS**  trans-158.196.7166.8-91-25.8000107
3R28.6Very low30.2Very low239 Ų239182.5 Ų182.590%0.90284%0.843SS**  trans-76.2123.5176.8-79.7173.3159.1175.1-6.5108.2
4W27.4Very low30.5Very low241 Ų241181.4 Ų181.491%0.91384%0.837SS**  trans-111.5109.6163.1-7191.6000108.2
5T29.6Very low30.3Very low107 Ų107182.1 Ų182.166%0.65684%0.838SS**  trans-89.8108.7176.9-47.30000107.9F7T5-F7 HydrophobicContact CG2-CD2 4.1Å; T5-F7 HydrophobicContact CG2-CE2 3.67Å; T5-F7 HydrophobicContact CG2-CZ 4.22Å
6L28.4Very low30.6Very low147 Ų147180.4 Ų180.477%0.7784%0.837SS**  trans-91.8113174.4-140.899.1000108.7I8L6-I8 HydrophobicContact CD2-CD1 4Å; L6-I8 HydrophobicContact CD2-CG1 4.04Å
7F28.5Very low30.5Very low192 Ų192175.9 Ų175.984%0.84283%0.831SS**  trans-87.4110.5173.3-80.9-88.1000109.9T5T5-F7 HydrophobicContact CG2-CD2 4.1Å; T5-F7 HydrophobicContact CG2-CE2 3.67Å; T5-F7 HydrophobicContact CG2-CZ 4.22Å
8I32.8Very low30.4Very low125 Ų125179.9 Ų179.964%0.64184%0.837SS**  trans-108.2110168.5-59.9176.3000107.8L6 L10L6-I8 HydrophobicContact CD2-CD1 4Å; L6-I8 HydrophobicContact CD2-CG1 4.04Å; I8-L10 HydrophobicContact CG2-CD1 3.79Å; I8-L10 HydrophobicContact CG2-CG 4.19Å; I8-L10 PolarHBondContact O-N 3.46Å
9S27.3Very low30.4Very low121 Ų121178.8 Ų178.885%0.84684%0.836SS**  trans-87.997.2170.3178.60000109.5
10L33.9Very low30.4Very low154 Ų154175.9 Ų175.981%0.80684%0.837SS**  trans-86.8104.8171.2-97137.2000110I8 R12I8-L10 HydrophobicContact CG2-CD1 3.79Å; I8-L10 HydrophobicContact CG2-CG 4.19Å; I8-L10 PolarHBondContact O-N 3.46Å; L10-R12 PolarHBondContact O-N 3.43Å
11K30Very low30.3Very low199 Ų199172.1 Ų172.187%0.86583%0.829SS**  trans-77.5114.8166.4-161.9167.1-174174.70108.2R13K11-R13 PolarHBondContact O-N 3.31Å; K11-R13 VanDerWaalsContact O-N 3.17Å
12R30.1Very low30.1Very low227 Ų227166.6 Ų166.686%0.85781%0.814SS**  trans-52.2112.6178.6-140.1-178.3-147.1174.15.5110.4L10L10-R12 PolarHBondContact O-N 3.43Å
13R30Very low30.6Very low231 Ų231165.5 Ų165.587%0.87281%0.813SS**  trans-117.3120.7154.7-99.7-166.8-98.9-175.9-5.3107.2K11 F15K11-R13 PolarHBondContact O-N 3.31Å; K11-R13 VanDerWaalsContact O-N 3.17Å; R13-F15 PolarHBondContact O-N 3.26Å
14H34.5Very low31.1Very low166 Ų166165.4 Ų165.477%0.76981%0.813SS**  trans-61.7116.7177.1-93.5-95.1000109.8
15F28.5Very low31.5Very low193 Ų193162.2 Ų162.285%0.84681%0.812SS**  trans-114116.2156.6-102.7-85.8000107.9R13R13-F15 PolarHBondContact O-N 3.26Å
16N33.7Very low31.7Very low154 Ų154161.2 Ų161.282%0.82482%0.823SS**  trans-84.6106.3167.1-103.8-35.3000107.6
17S29.6Very low32Very low105 Ų105159.2 Ų159.273%0.73482%0.821SS**  trans-141.5107.2157.158.70000107.8L19S17-L19 PolarHBondContact O-N 3.44Å
18R28.6Very low32Very low248 Ų248157.6 Ų157.694%0.93682%0.821SS**  trans-65114.3176.4-71.3178.3-173.9-161.80.8108.9
19L30.1Very low32.2Very low158 Ų158158.2 Ų158.283%0.82783%0.831SS**  trans-91.1111.1158.9-157.778.3000107.4S17 S21S17-L19 PolarHBondContact O-N 3.44Å; L19-S21 PolarHBondContact O-N 2.83Å
20S30.3Very low32.3Very low120 Ų120160.2 Ų160.284%0.83983%0.831SS**  trans-80.497.6173.649.80000110.1
21S29Very low32.2Very low98 Ų98161.5 Ų161.569%0.68583%0.83SS**  trans-151.963.116054.40000110.4L19 T23L19-S21 PolarHBondContact O-N 2.83Å; S21-T23 PolarHBondContact O-N 3.45Å
22S35.1Very low32.5Very low120 Ų120158.1 Ų158.184%0.83983%0.828SS**  trans-87.897.6170.8175.60000109.8
23T37.1Very low32.7Very low130 Ų130155 Ų15580%0.79882%0.824SS**  trans-155123.8142.718.30000108.6S21S21-T23 PolarHBondContact O-N 3.45Å
24R38.2Very low33Very low238 Ų238152.5 Ų152.590%0.89883%0.828SS**SBendtrans102.747.4171.3-56.5-175.7179.3-141.70.3119.5
25L36.8Very low32.8Very low173 Ų173149 Ų14991%0.90682%0.821SS**  trans-139.944.4152.2-75.9175.7000111.7S27L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.35Å
26G32.9Very low33.4Very low86 Ų86146.9 Ų146.989%0.88783%0.825SS**  trans-86.621.1-178.500000115.7
27S35.3Very low33.3Very low105 Ų105144 Ų14473%0.73481%0.813SS**  trans-144.651.7-171.171.20000114.5L25L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.35Å
28L28.6Very low33.6Very low158 Ų158146 Ų14683%0.82781%0.814SS**  trans-139.384.5162.2-70176.6000109.5L30L28-L30 PolarHBondContact O-N 3.19Å
29T36.9Very low33.8Very low138 Ų138141.8 Ų141.885%0.84781%0.809SS**  trans-68.8110.3160.9390000109
30L29.7Very low34.2Very low164 Ų164142.7 Ų142.786%0.85981%0.807SS**  trans-139.5136.1160.3-68.6177000109.5L28L28-L30 PolarHBondContact O-N 3.19Å
31K31.2Very low34.6Very low180 Ų180146.6 Ų146.678%0.78381%0.812SS**  trans-72.6162.3-171.2-77.9-159.6173.7-173.40112.6E33K31-E33 PolarHBondContact O-N 3.47Å
32P35.4Very low35.3Very low128 Ų128145.3 Ų145.383%0.83181%0.808SS**  trans-80.494-177.132.8-29.3000108.6
33E35.2Very low35.8Very low163 Ų163144.7 Ų144.776%0.76280%0.795SS**  trans-119.7128.2161-89.2128.4-172.800108.1K31 S35K31-E33 PolarHBondContact O-N 3.47Å; E33-S35 PolarHBondContact O-N 3.35Å
34D35.9Very low36.6Very low178 Ų178142.9 Ų142.995%0.95278%0.783SS**  trans-55.797.8-170.6-66.8-52.2000112.2
35S31.7Very low37.5Very low91 Ų91136.5 Ų136.564%0.63677%0.766SS**  trans-148.2107.2168.3-176.30000109.6E33 V37E33-S35 PolarHBondContact O-N 3.35Å; S35-V37 PolarHBondContact O-N 3.45Å
36T39.6Very low38.1Very low150 Ų150131.9 Ų131.992%0.9275%0.745SS**  trans-80.527-174.853.70000113.6
37V32.2Very low38.9Very low93 Ų93132.4 Ų132.456%0.56473%0.727SS**  trans-131.595.1-176.9-173.10000109.6S35 L39S35-V37 PolarHBondContact O-N 3.45Å; V37-L39 HydrophobicContact CG1-CD1 4.3Å; V37-L39 HydrophobicContact CG1-CG 4.07Å
38L35.8Very low39.7Very low148 Ų148136.3 Ų136.378%0.77573%0.726SS**  trans-88.4106.1162.3-68.1171.1000107.6F40L38-F40 HydrophobicContact CB-CD2 4.44Å; L38-F40 HydrophobicContact CB-CE2 3.79Å; L38-F40 HydrophobicContact CB-CZ 4.27Å
39L32.3Very low40.9Very low158 Ų158134.2 Ų134.283%0.82771%0.712SS**  trans-77.1119171.2-78140.8000108.3V37V37-L39 HydrophobicContact CG1-CD1 4.3Å; V37-L39 HydrophobicContact CG1-CG 4.07Å
40F39Very low41.6Very low178 Ų178131.1 Ų131.178%0.78169%0.693SS**  trans-107.2113.8166-66.7-78.4000108.6L38L38-F40 HydrophobicContact CB-CD2 4.44Å; L38-F40 HydrophobicContact CB-CE2 3.79Å; L38-F40 HydrophobicContact CB-CZ 4.27Å
41E38.6Very low42.9Very low201 Ų201128.7 Ų128.794%0.93968%0.68SS**  trans-90.2108.5167.9-172171.2-167.600106.9
42A44.9Very low43.9Very low72 Ų72125.1 Ų125.160%0.59567%0.673SS**  trans-122.3128.7173.800000108.8T44A42-T44 PolarHBondContact O-N 3.22Å
43D43.9Very low44.6Very low106 Ų106123.3 Ų123.357%0.56766%0.66SS**  trans-62.8122.4-175.2-158.3-6.7000110.1I45 T46 L47D43-I45 PolarHBondContact O-N 2.8Å; D43-T46 PolarHBondContact O-N 3.44Å; D43-L47 PolarHBondContact O-N 3.19Å
44T54.2Low45Very low92 Ų92124.5 Ų124.556%0.56466%0.663SS**Hα-helixtrans-61.9-22.3-169.4610000112.5A42 R48A42-T44 PolarHBondContact O-N 3.22Å; T44-R48 WeakPolarHBondContact O-CB 3.38Å; T44-R48 VanDerWaalsContact O-CG 3.26Å; T44-R48 WeakPolarHBondContact O-CG 3.42Å; T44-R48 PolarHBondContact O-N 3.2Å
45I56.4Low45.2Very low104 Ų104119.4 Ų119.453%0.53365%0.652SS.*Hα-helixtrans-70.9-45.4178-57.9173.9000110.3D43 R48 Q49D43-I45 PolarHBondContact O-N 2.8Å; I45-R48 PolarHBondContact O-N 3.48Å; I45-Q49 WeakPolarHBondContact O-CB 3.29Å; I45-Q49 WeakPolarHBondContact O-CG 3.27Å; I45-Q49 PolarHBondContact O-N 3.5Å
46T49.5Very low45.3Very low76 Ų76118.5 Ų118.547%0.46665%0.645SS.*Hα-helixtrans-70.4-35.7179.2-350000111.3D43 Q49 T50D43-T46 PolarHBondContact O-N 3.44Å; T46-Q49 PolarHBondContact O-N 3.45Å; T46-T50 WeakPolarHBondContact O-CB 3.44Å; T46-T50 PolarHBondContact O-N 3.02Å; T46-T50 PolarHBondContact O-OG1 3.28Å
47L50Low45Very low98 Ų98119.2 Ų119.251%0.51364%0.643SS.*Hα-helixtrans-65.8-44.4174.3-174.367.4000111.4D43 Q49 T50 I51D43-L47 PolarHBondContact O-N 3.19Å; L47-Q49 PolarHBondContact O-N 3.27Å; L47-T50 PolarHBondContact O-N 2.97Å; L47-I51 HydrophobicContact CD1-CD1 4.25Å; L47-I51 HydrophobicContact CG-CD1 3.91Å; L47-I51 WeakPolarHBondContact O-CB 3.23Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.4Å; L47-I51 PolarHBondContact O-N 3.46Å
48R53.1Low45.2Very low187 Ų187124.1 Ų124.171%0.70666%0.657SS**Hα-helixtrans-63.6-39.6175.4-78.2178.2-175.2-83.20.7112.2T44 I45 T52T44-R48 WeakPolarHBondContact O-CB 3.38Å; T44-R48 VanDerWaalsContact O-CG 3.26Å; T44-R48 WeakPolarHBondContact O-CG 3.42Å; T44-R48 PolarHBondContact O-N 3.2Å; I45-R48 PolarHBondContact O-N 3.48Å; R48-T52 PolarHBondContact O-N 3.39Å; R48-T52 PolarHBondContact O-OG1 3.24Å
49Q53.3Low45.1Very low114 Ų114123.1 Ų123.153%0.53366%0.657SS.*Hα-helixtrans-62.9-42.4173-77.1175.4-18.400111.7I45 T46 L47 T52 T53I45-Q49 WeakPolarHBondContact O-CB 3.29Å; I45-Q49 WeakPolarHBondContact O-CG 3.27Å; I45-Q49 PolarHBondContact O-N 3.5Å; T46-Q49 PolarHBondContact O-N 3.45Å; L47-Q49 PolarHBondContact O-N 3.27Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.36Å; Q49-T52 PolarHBondContact O-N 3.37Å; Q49-T52 PolarHBondContact O-OG1 2.83Å; Q49-T52 VanDerWaalsContact O-OG1 3.07Å; Q49-T53 WeakPolarHBondContact O-CB 3.07Å; Q49-T53 PolarHBondContact O-N 3.12Å; Q49-T53 PolarHBondContact O-OG1 3.49Å
50T52.4Low45.3Very low73 Ų73122.7 Ų122.745%0.44865%0.654SS.*Hα-helixtrans-69.3-38.2-179.7-49.30000111.9T46 L47 T53 F54T46-T50 WeakPolarHBondContact O-CB 3.44Å; T46-T50 PolarHBondContact O-N 3.02Å; T46-T50 PolarHBondContact O-OG1 3.28Å; L47-T50 PolarHBondContact O-N 2.97Å; T50-T53 PolarHBondContact O-N 2.87Å; T50-F54 PolarHBondContact O-N 3.32Å; T50-F54 VanDerWaalsContact O-N 3.13Å
51I55.3Low45.2Very low113 Ų113122.8 Ų122.858%0.57966%0.657SS**Hα-helixtrans-67.2-40.1175-67.7168.1000111.1L47 T53 F54L47-I51 HydrophobicContact CD1-CD1 4.25Å; L47-I51 HydrophobicContact CG-CD1 3.91Å; L47-I51 WeakPolarHBondContact O-CB 3.23Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.4Å; L47-I51 PolarHBondContact O-N 3.46Å; I51-T53 VanDerWaalsContact C-N 3.31Å; I51-F54 PolarHBondContact O-N 2.95Å
52T52.7Low45.1Very low104 Ų104119.1 Ų119.164%0.63864%0.642SS**Hα-helixtrans-70-27.5173.634.80000112.8R48 Q49 F54 G55R48-T52 PolarHBondContact O-N 3.39Å; R48-T52 PolarHBondContact O-OG1 3.24Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.36Å; Q49-T52 PolarHBondContact O-N 3.37Å; Q49-T52 PolarHBondContact O-OG1 2.83Å; Q49-T52 VanDerWaalsContact O-OG1 3.07Å; T52-F54 VanDerWaalsContact C-N 3.31Å; T52-F54 PolarHBondContact O-N 2.96Å; T52-G55 PolarHBondContact O-N 3.37Å
53T49.8Very low44.6Very low90 Ų90119.7 Ų119.755%0.55264%0.64SS**Hα-helixtrans-74.9-20.3174.7-46.30000112.4Q49 T50 I51 G55 S56Q49-T53 WeakPolarHBondContact O-CB 3.07Å; Q49-T53 PolarHBondContact O-N 3.12Å; Q49-T53 PolarHBondContact O-OG1 3.49Å; T50-T53 PolarHBondContact O-N 2.87Å; I51-T53 VanDerWaalsContact C-N 3.31Å; T53-G55 PolarHBondContact O-N 3.14Å; T53-S56 PolarHBondContact O-N 3.12Å; T53-S56 PolarHBondContact O-OG 3.09Å
54F44.9Very low44.5Very low189 Ų189123.9 Ų123.983%0.82966%0.656SS**THydrogen-bonded Turntrans-74.2-1.3174.9-109.5-87.7000114.4T50 I51 T52T50-F54 PolarHBondContact O-N 3.32Å; T50-F54 VanDerWaalsContact O-N 3.13Å; I51-F54 PolarHBondContact O-N 2.95Å; T52-F54 VanDerWaalsContact C-N 3.31Å; T52-F54 PolarHBondContact O-N 2.96Å
55G40.7Very low44.1Very low70 Ų70126.4 Ų126.472%0.72266%0.661SS**THydrogen-bonded Turntrans-115.7-5.7174.100000115.3T52 T53 L57T52-G55 PolarHBondContact O-N 3.37Å; T53-G55 PolarHBondContact O-N 3.14Å; G55-L57 PolarHBondContact O-N 3Å
56S32.7Very low43.4Very low72 Ų72127 Ų12750%0.50367%0.665SS.*  trans-97.191.2176.261.20000109.9T53 K58T53-S56 PolarHBondContact O-N 3.12Å; T53-S56 PolarHBondContact O-OG 3.09Å; S56-K58 PolarHBondContact O-N 3Å
57L32.9Very low43.1Very low165 Ų165132.1 Ų132.186%0.86469%0.686SS**  trans-57.7110.2157-74.2166.2000106.7G55 T59G55-L57 PolarHBondContact O-N 3Å; L57-T59 PolarHBondContact O-N 3.26Å
58K36.8Very low42.4Very low197 Ų197130.8 Ų130.886%0.85769%0.689SS**  trans-57.7101.5155.8-84.6-178.8175.9177.20105.3S56 I60S56-K58 PolarHBondContact O-N 3Å; K58-I60 VanDerWaalsContact C-N 3.34Å; K58-I60 PolarHBondContact O-N 3.19Å
59T32.8Very low41.9Very low127 Ų127131 Ų13178%0.77970%0.698SS**  trans-54109.3156.9470000105.3L57 Q61L57-T59 PolarHBondContact O-N 3.26Å; T59-Q61 PolarHBondContact O-N 3.47Å
60I37.3Very low41Very low149 Ų149130.6 Ų130.676%0.76471%0.713SS**  trans-52.7116.7165.1-60.6164.2000104.1K58 I62K58-I60 VanDerWaalsContact C-N 3.34Å; K58-I60 PolarHBondContact O-N 3.19Å; I60-I62 PolarHBondContact O-N 3.2Å
61Q36.6Very low39.9Very low180 Ų180132.8 Ų132.884%0.84173%0.732SS**  trans-51108.6165.1-102.3172.4-16.600106.3T59 P63T59-Q61 PolarHBondContact O-N 3.47Å; Q61-P63 WeakPolarHBondContact O-CD 3.47Å
62I37.3Very low38.8Very low123 Ų123133.5 Ų133.563%0.63175%0.747SS**  trans-65121.6163.9-59.6170.7000104.4I60 E64 L66I60-I62 PolarHBondContact O-N 3.2Å; I62-E64 PolarHBondContact O-N 3.13Å; I62-L66 HydrophobicContact CG2-CB 4.36Å; I62-L66 HydrophobicContact CG2-CD1 4.29Å
63P34.1Very low37.6Very low85 Ų85133.1 Ų133.155%0.55275%0.754SS**  trans-55.8134.4177-24.834.6000110.2Q61 H65Q61-P63 WeakPolarHBondContact O-CD 3.47Å; P63-H65 PolarHBondContact O-N 3.11Å
64E42.6Very low36.8Very low194 Ų194136.5 Ų136.591%0.90777%0.769SS**G310 helixtrans-56.95.7-172.1-73.5171.6146.200116.4I62I62-E64 PolarHBondContact O-N 3.13Å
65H44.6Very low36.2Very low144 Ų144135.8 Ų135.867%0.66777%0.772SS**G310 helixtrans-87.3-1.9177.883.2-81000114.8P63P63-H65 PolarHBondContact O-N 3.11Å
66L42.7Very low35.6Very low117 Ų117135.6 Ų135.661%0.61377%0.77SS**G310 helixtrans-110.76.8-178.5-66.3175.9000114.8I62I62-L66 HydrophobicContact CG2-CB 4.36Å; I62-L66 HydrophobicContact CG2-CD1 4.29Å
67M41.7Very low35.9Very low184 Ų184138.3 Ų138.391%0.90679%0.786SS**  trans-113.133.8177.5-80.7-94.2-75.400112.8
68A37.2Very low35.7Very low69 Ų69139.2 Ų139.257%0.5778%0.783SS**  trans-115.4133.9159.700000107.7
69H41.5Very low35.5Very low193 Ų193136 Ų13689%0.89478%0.775SS**  trans99.155.9-179.2-48.2-66.4000117.1
70A35.1Very low35.3Very low105 Ų105136.8 Ų136.887%0.86877%0.769SS**SBendtrans-147.553.5145.700000112.2
71S29.4Very low35.1Very low119 Ų119137 Ų13783%0.83277%0.765SS**  trans-163.385.2155.359.40000109.9
72S30.7Very low34.8Very low128 Ų128139.3 Ų139.390%0.89577%0.766SS**  trans-105.494158.567.40000108.4
73A28.6Very low34.2Very low95 Ų95136.8 Ų136.879%0.78577%0.771SS**  trans-127.4119.9153.600000106.8
74N32.8Very low33.8Very low161 Ų161139.2 Ų139.286%0.86179%0.788SS**  trans-43.6139.2-179-74.3-76.1000114.2
75I32.1Very low33Very low174 Ų174137.6 Ų137.689%0.89278%0.784SS**  -167137.9129.1-85.7141.3000107.6
76G27.8Very low32.1Very low67 Ų67135.8 Ų135.869%0.69179%0.788SS**  trans-77.8-163.3-167.400000117.9
77P40.4Very low31.3Very low129 Ų129138.3 Ų138.384%0.83880%0.798SS**  trans-111.6156.7-130.739.1-31.8000114.9
78F27.4Very low30.9Very low183 Ų183135.4 Ų135.480%0.80379%0.793SS**  trans-172.4131138.4-145.3-124.4000114.7
79L33.2Very low30.4Very low131 Ų131140.3 Ų140.369%0.68680%0.804SS**  trans28.5141.3148.4-54-171.8000120.6
80E28.9Very low29.7Very low142 Ų142139.3 Ų139.366%0.66480%0.8SS**  -173.9137.554.3-165.617617400112.6
81K32Very low29.1Very low154 Ų154143 Ų14367%0.6780%0.796SS**  trans46.6147.1148.6-71.4176.7-173.2144.70121
82R30Very low29.1Very low228 Ų228143.4 Ų143.486%0.8680%0.799SS**  cis-172.2145.320.8-134.2178.7-164.1177.33.8110
83G25.3Very low28.9Very low71 Ų71142 Ų14273%0.73280%0.795SS**  trans68.6134.9146.100000119
84C25.5Very low28.8Very low135 Ų135143.3 Ų143.391%0.91280%0.799SS**  cis-154.4170.228.4-79.70000112.8
85I26.6Very low28.6Very low160 Ų160138.7 Ų138.782%0.82179%0.789SS**  trans-102.4153.5-153.9-39.7175.9000112.7
86S24.8Very low28.7Very low107 Ų107138.4 Ų138.475%0.74879%0.788SS**  trans112.5111136.9-60.20000119.1
87M27.4Very low29.2Very low169 Ų169141.2 Ų141.283%0.83379%0.792SS**  trans-67.1169.3159.2-80.1-80.7107.400112.5
88P32Very low29.2Very low123 Ų123139.3 Ų139.380%0.79979%0.786SS**  -134.2129.310131.6-17.2000114.3
89E27.5Very low30.3Very low173 Ų173134.5 Ų134.581%0.80877%0.772SS**  trans16.3120.4133.8-128.6177.7149.100118.5
90Q25.8Very low31.2Very low171 Ų171132 Ų13280%0.79976%0.764SS**  -159.9117.4123.8-81-137.2-17.600112.7
91K23.6Very low31.8Very low183 Ų183132.3 Ų132.380%0.79676%0.763SS**  trans67.397.3144.2-70.1176.3176.9174.70120.1
92S29Very low32.4Very low127 Ų127128.8 Ų128.889%0.88876%0.758SS**  trans-53.3136.1155.6-41.60000113.5
93A25.8Very low33.2Very low99 Ų99122.8 Ų122.882%0.81874%0.739SS**  trans-147.7110.215100000110.5
94S28.1Very low34.4Very low122 Ų122128.5 Ų128.585%0.85374%0.739SS**  trans56.494.2156.3-143.70000118.8
95G27.9Very low35.5Very low65 Ų65127.2 Ų127.267%0.6772%0.722SS**  trans-68.3134158.600000110.7V97G95-V97 PolarHBondContact O-N 3.32Å; G95-V97 VanDerWaalsContact O-N 3.12Å
96I33.8Very low36.5Very low167 Ų167126.6 Ų126.686%0.85672%0.72SS**  trans-64.1109.4164.3-70.7170.4000106.7A98I96-A98 PolarHBondContact O-N 3.11Å
97V38.8Very low37.4Very low127 Ų127124.5 Ų124.577%0.7772%0.716SS**  trans-65.8102.5165.6175.30000106.3G95 V99G95-V97 PolarHBondContact O-N 3.32Å; G95-V97 VanDerWaalsContact O-N 3.12Å; V97-V99 PolarHBondContact O-N 3.22Å; V97-V99 VanDerWaalsContact O-N 3.11Å
98A41Very low38.1Very low88 Ų88120.4 Ų120.473%0.72770%0.704SS**  trans-69.7106.1169.600000107.7I96I96-A98 PolarHBondContact O-N 3.11Å
99V48.8Very low38.9Very low82 Ų82124.4 Ų124.450%0.49771%0.709SS.*  trans-63.6126.1169.6169.40000108.1V97 E103V97-V99 PolarHBondContact O-N 3.22Å; V97-V99 VanDerWaalsContact O-N 3.11Å; V99-E103 HydrophobicContact CG1-CB 3.58Å; V99-E103 HydrophobicContact CG1-CG 4.06Å; V99-E103 WeakPolarHBondContact CG1-OE2 3.36Å
100P52.6Low39.4Very low80 Ų80122.2 Ų122.252%0.51971%0.709SS.*  trans-57.8139.8177.7-23.133.2000111.1S102 E103P100-S102 PolarHBondContact O-N 3.03Å; P100-E103 PolarHBondContact O-N 3.38Å
101F41.2Very low39.9Very low148 Ų148118.6 Ų118.665%0.64971%0.709SS**Hα-helixtrans-49.7-26.1-176.1-176.5-108.5000114.7E103 W104 L105F101-E103 VanDerWaalsContact C-N 3.3Å; F101-E103 PolarHBondContact O-N 3.33Å; F101-W104 HydrophobicContact CE2-CE3 4.24Å; F101-W104 PolarHBondContact O-N 3.4Å; F101-L105 HydrophobicContact CD1-CD1 3.87Å; F101-L105 HydrophobicContact CD1-CG 4.49Å; F101-L105 HydrophobicContact CE1-CD1 3.49Å; F101-L105 VanDerWaalsContact CE1-CD1 3.49Å; F101-L105 HydrophobicContact CE1-CG 4.16Å; F101-L105 HydrophobicContact CZ-CD1 4.03Å; F101-L105 HydrophobicContact CZ-CD2 4.36Å; F101-L105 HydrophobicContact CZ-CG 4.27Å; F101-L105 PolarHBondContact O-N 3.2Å
102S44.3Very low40.5Very low79 Ų79115.7 Ų115.755%0.55271%0.711SS**Hα-helixtrans-63.3-29.6174.3500000114.2P100 L106P100-S102 PolarHBondContact O-N 3.03Å; S102-L106 WeakPolarHBondContact O-CD1 3.49Å; S102-L106 WeakPolarHBondContact O-CG 3.26Å
103E47.4Very low41.2Very low102 Ų102112.4 Ų112.448%0.47770%0.697SS.*Hα-helixtrans-89.1-23-177.5-162.4174.3-162.800111.9V99 P100 F101V99-E103 HydrophobicContact CG1-CB 3.58Å; V99-E103 HydrophobicContact CG1-CG 4.06Å; V99-E103 WeakPolarHBondContact CG1-OE2 3.36Å; P100-E103 PolarHBondContact O-N 3.38Å; F101-E103 VanDerWaalsContact C-N 3.3Å; F101-E103 PolarHBondContact O-N 3.33Å
104W51.5Low41.5Very low191 Ų191119.1 Ų119.172%0.72370%0.703SS**Hα-helixtrans-70.6-40169.6-175.982.1000112.1F101 L106 G107F101-W104 HydrophobicContact CE2-CE3 4.24Å; F101-W104 PolarHBondContact O-N 3.4Å; W104-L106 VanDerWaalsContact C-N 3.25Å; W104-L106 PolarHBondContact O-N 3.5Å; W104-G107 PolarHBondContact O-N 2.81Å
105L46.8Very low42.1Very low108 Ų108123.2 Ų123.257%0.56571%0.709SS**THydrogen-bonded Turntrans-68.6-22.5178.2-73174.7000113.7F101F101-L105 HydrophobicContact CD1-CD1 3.87Å; F101-L105 HydrophobicContact CD1-CG 4.49Å; F101-L105 HydrophobicContact CE1-CD1 3.49Å; F101-L105 VanDerWaalsContact CE1-CD1 3.49Å; F101-L105 HydrophobicContact CE1-CG 4.16Å; F101-L105 HydrophobicContact CZ-CD1 4.03Å; F101-L105 HydrophobicContact CZ-CD2 4.36Å; F101-L105 HydrophobicContact CZ-CG 4.27Å; F101-L105 PolarHBondContact O-N 3.2Å
106L48.2Very low42.3Very low147 Ų147123.8 Ų123.877%0.7771%0.707SS**THydrogen-bonded Turntrans-90.45.2-178.6-70.1171.6000114S102 W104S102-L106 WeakPolarHBondContact O-CD1 3.49Å; S102-L106 WeakPolarHBondContact O-CG 3.26Å; W104-L106 VanDerWaalsContact C-N 3.25Å; W104-L106 PolarHBondContact O-N 3.5Å
107G44.5Very low42.7Very low64 Ų64121.8 Ų121.866%0.6671%0.705SS**THydrogen-bonded Turntrans69.642.7165.100000115.2W104W104-G107 PolarHBondContact O-N 2.81Å
108S42Very low43Very low83 Ų83125.4 Ų125.458%0.5871%0.707SS**PPolyproline II helixtrans-82.2117169.8-52.80000110.6P110S108-P110 WeakPolarHBondContact O-CD 3.49Å
109K49.2Very low43.3Very low207 Ų207128.1 Ų128.190%0.971%0.707SS**PPolyproline II helixtrans-67.6127.3174.6-70.9-174.6176.7-177.50111.4
110P36.4Very low43.1Very low126 Ų126128.2 Ų128.282%0.81871%0.709SS**PPolyproline II helixtrans-85.5133.8156.229.9-24.2000110.2S108S108-P110 WeakPolarHBondContact O-CD 3.49Å
111A36.6Very low43.1Very low96 Ų96126.8 Ų126.879%0.79370%0.702SS**PPolyproline II helixtrans-73.7138174.500000111.2
112S36.9Very low43.6Very low121 Ų121127 Ų12785%0.84672%0.715SS**SBendtrans5995.2150.3177.50000118.3
113G43.8Very low43.9Very low58 Ų58127.3 Ų127.360%0.59871%0.711SS**  100.196.5115.500000116.9
114Y31.1Very low44.2Very low241 Ų241127 Ų12795%0.94572%0.717SS**  trans-160.3139.1134.4-81.5-67.5000108.1
115Q40.3Very low44.4Very low207 Ų207123.6 Ų123.697%0.96771%0.709SS**  trans-64.7134.7-170.8-76.5-162.6-19.100113.5
116A32.7Very low44.9Very low77 Ų77122.3 Ų122.364%0.63670%0.703SS**  trans-114.1151.4168.300000110.9
117P43.1Very low45.1Very low126 Ų126124.4 Ų124.482%0.81870%0.701SS**SBendtrans-65.3132.6172.7-9.424.9000110.3
118Y43.9Very low45.2Very low203 Ų203128 Ų12880%0.79670%0.704SS**  trans-3.2113175.4-166.7-101.6000117.8
119I48.1Very low45.5Very low144 Ų144128.7 Ų128.774%0.73871%0.705SS**PPolyproline II helixtrans-88.9128.2169.3-58.3171.7000108.1
120P45.1Very low45.2Very low84 Ų84126.9 Ų126.955%0.54570%0.7SS.*PPolyproline II helixtrans-68.6143174.1-13.728.1000111.3
121S52.2Low45.8Very low51 Ų51130 Ų13036%0.35770%0.7SS.*PPolyproline II helixtrans-58.4137176-174.40000111.5D123 D126S121-D123 VanDerWaalsContact C-N 3.29Å; S121-D123 PolarHBondContact OG-N 2.89Å; S121-D126 VanDerWaalsContact CB-OD2 3.23Å; S121-D126 WeakPolarHBondContact CB-OD2 3.49Å; S121-D126 PolarHBondContact OG-OD2 3.31Å
122T52.6Low45.9Very low151 Ų151134.2 Ų134.293%0.92670%0.704SS**SBendtrans-85.74.3175.434.40000113.5
123D50.4Low45.7Very low86 Ų86134.8 Ų134.846%0.4670%0.702SS.*  trans-93.5121.1174.2-165.4-21.1000110.8S121 Q125 D126S121-D123 VanDerWaalsContact C-N 3.29Å; S121-D123 PolarHBondContact OG-N 2.89Å; D123-Q125 PolarHBondContact O-N 3.24Å; D123-Q125 PolarHBondContact OD1-N 3.14Å; D123-D126 PolarHBondContact O-N 3.14Å
124P52.8Low44.9Very low95 Ų95139.6 Ų139.662%0.61771%0.714SS**G310 helixtrans-59.3-24.4178.8-23.232.8000114.7W127P124-W127 PolarHBondContact O-N 3.43Å
125Q56.8Low45Very low120 Ų120136.7 Ų136.756%0.56171%0.709SS**G310 helixtrans-77.1-22.4-174.2-134.168.97.500113.6D123 W127 L128 T129D123-Q125 PolarHBondContact O-N 3.24Å; D123-Q125 PolarHBondContact OD1-N 3.14Å; Q125-W127 PolarHBondContact O-N 3.41Å; Q125-L128 PolarHBondContact O-N 3.5Å; Q125-T129 PolarHBondContact O-OG1 2.79Å
126D55.7Low44.4Very low82 Ų82134 Ų13444%0.43970%0.701SS.*G310 helixtrans-68.3-21.7176.7-75.1-22000112.4S121 D123 L128S121-D126 VanDerWaalsContact CB-OD2 3.23Å; S121-D126 WeakPolarHBondContact CB-OD2 3.49Å; S121-D126 PolarHBondContact OG-OD2 3.31Å; D123-D126 PolarHBondContact O-N 3.14Å; D126-L128 VanDerWaalsContact C-N 3.32Å
127W53.4Low44.3Very low191 Ų191135.7 Ų135.772%0.72371%0.708SS**G310 helixtrans-79.3-20.8179-67.644.8000111.9P124 Q125P124-W127 PolarHBondContact O-N 3.43Å; Q125-W127 PolarHBondContact O-N 3.41Å
128L47.1Very low43.8Very low139 Ų139138.1 Ų138.173%0.72871%0.709SS**THydrogen-bonded Turntrans-93.2-18.4-178.2-73.5167.5000113.3Q125 D126Q125-L128 PolarHBondContact O-N 3.5Å; D126-L128 VanDerWaalsContact C-N 3.32Å
129T47Very low43.1Very low97 Ų97135.1 Ų135.160%0.59571%0.711SS**  trans-104.97.5-177.6420000114.2Q125 K131Q125-T129 PolarHBondContact O-OG1 2.79Å; T129-K131 PolarHBondContact O-N 2.95Å
130Q43.6Very low42.3Very low170 Ų170134 Ų13479%0.79472%0.716SS**  trans-74.148.2175.3-155.9-177.326.800113.1
131K48.9Very low41.5Very low190 Ų190135.2 Ų135.283%0.82673%0.727SS**SBendtrans-142125.6160.9-74.7-164.7176.4-1790108.3T129T129-K131 PolarHBondContact O-N 2.95Å
132Q38.8Very low40.5Very low185 Ų185144.8 Ų144.886%0.86476%0.755SS**  trans84.9102.7-174.7-51.9171.510.800110.7
133T31.3Very low39.5Very low133 Ų133141.8 Ų141.882%0.81675%0.746SS**  -176.9134.973-49.50000107.6
134L28.4Very low38.3Very low160 Ų160142.9 Ų142.984%0.83876%0.759SS**  176.7102.1128.2-161.969.1000110.3
135E32Very low37.4Very low179 Ų179145.3 Ų145.384%0.83677%0.767SS**  trans-71.2158.2156.7-73.3-178137.700110.7
136N29.1Very low36.3Very low151 Ų151147.6 Ų147.681%0.80778%0.775SS**  trans72128.2174.2-87.9-25.9000115.9
137S30.6Very low35.4Very low112 Ų112153 Ų15378%0.78380%0.795SS**  cis-162.8160.328.747.50000111.3
138Q32.5Very low34.8Very low178 Ų178151 Ų15183%0.83280%0.799SS**  trans-49.3141.3-177.4-81.9152.9-45.400116.3
139T29.6Very low34.5Very low139 Ų139152.1 Ų152.185%0.85381%0.805SS**  -168.4117.611324.30000113.1
140S30Very low34.2Very low120 Ų120154 Ų15484%0.83982%0.817SS**  trans44.7128.3145-150.60000123.1
141S28.9Very low34.3Very low111 Ų111150.2 Ų150.278%0.77682%0.823SS**  trans-75.6142.5-173.761.50000116.4
142R30.8Very low33.8Very low252 Ų252144.4 Ų144.495%0.95182%0.817SS**  -151.4132.2122.8-162169.5-109.3170.4-4.1110
143A32.4Very low34.2Very low88 Ų88141 Ų14173%0.72781%0.805SS**  trans-65144.6-156.400000117.3
144C25Very low35Very low109 Ų109141.4 Ų141.474%0.73680%0.801SS**  trans-151.590.8131.2-138.60000109.1F146C144-F146 PolarHBondContact O-N 2.99Å
145N32.7Very low36.2Very low146 Ų146141.2 Ų141.278%0.78179%0.794SS**  trans-77.3101.9170.4-75-37.2000108.6
146F35Very low37.1Very low168 Ų168134 Ų13474%0.73777%0.766SS**  trans-127.3129.9158.2-81-86.6000107.3C144C144-F146 PolarHBondContact O-N 2.99Å
147F35.7Very low38Very low195 Ų195131.9 Ų131.986%0.85576%0.755SS**SBendtrans92.558-172.6-52.1-72.8000116.6
148N42Very low39Very low149 Ų149132.1 Ų132.180%0.79774%0.744SS**  trans-135.945.2154.4-99.8-21.8000111.6
149N41.2Very low39.9Very low162 Ų162128.5 Ų128.587%0.86673%0.73SS**  trans-139.751.1173.4-84.6-37.3000112.1
150V40.8Very low40.5Very low138 Ų138131.5 Ų131.584%0.83673%0.726SS**  trans-126.715.2156.8-160.80000110.9G152V150-G152 PolarHBondContact O-N 3.05Å
151G45.3Very low41.1Very low90 Ų90131.1 Ų131.193%0.92871%0.714SS**  trans-76.453.3168.100000112
152G36.9Very low42Very low67 Ų67131.1 Ų131.169%0.69171%0.705SS**  trans-119.4103.4-176.700000111.7V150V150-G152 PolarHBondContact O-N 3.05Å
153N47.9Very low42.5Very low115 Ų115126.7 Ų126.762%0.61569%0.692SS**  trans90.645.8156.2-147.321.8000120.2K155 G156N153-K155 PolarHBondContact O-N 2.76Å; N153-G156 PolarHBondContact O-N 3.46Å; N153-G156 VanDerWaalsContact OD1-CA 3.26Å; N153-G156 WeakPolarHBondContact OD1-CA 3.17Å; N153-G156 PolarHBondContact OD1-N 3.25Å
154L48.9Very low42.9Very low141 Ų141127 Ų12774%0.73869%0.689SS**Hα-helixtrans-61.2-30.2154.6-89.4158.8000112.1G156 L157 E158L154-G156 PolarHBondContact O-N 3.11Å; L154-L157 WeakPolarHBondContact O-CB 3.43Å; L154-L157 PolarHBondContact O-N 3.25Å; L154-L157 VanDerWaalsContact O-N 3.11Å; L154-E158 PolarHBondContact O-N 3.2Å; L154-E158 VanDerWaalsContact O-N 3.08Å
155K53.4Low43.5Very low156 Ų156129.4 Ų129.468%0.67869%0.69SS**Hα-helixtrans-64.8-24.1179.1-141.7169.2-171175.30113.9N153 N159N153-K155 PolarHBondContact O-N 2.76Å; K155-N159 WeakPolarHBondContact O-CB 3.49Å; K155-N159 VanDerWaalsContact O-CG 3.3Å; K155-N159 PolarHBondContact O-N 3.07Å; K155-N159 PolarHBondContact O-ND2 2.93Å; K155-N159 VanDerWaalsContact O-ND2 3.13Å
156G49.5Very low44.2Very low26 Ų26131.1 Ų131.127%0.26869%0.69SS.*Hα-helixtrans-80.9-28.5176.500000112.4N153 L154 W160N153-G156 PolarHBondContact O-N 3.46Å; N153-G156 VanDerWaalsContact OD1-CA 3.26Å; N153-G156 WeakPolarHBondContact OD1-CA 3.17Å; N153-G156 PolarHBondContact OD1-N 3.25Å; L154-G156 PolarHBondContact O-N 3.11Å; G156-W160 WeakPolarHBondContact O-CB 3.47Å; G156-W160 PolarHBondContact O-N 3.05Å; G156-W160 VanDerWaalsContact O-N 3.11Å
157L48Very low43.7Very low108 Ų108128.3 Ų128.357%0.56569%0.691SS**Hα-helixtrans-77.9-40.6176.6-125.5150.9000110.6L154 W160 L161L154-L157 WeakPolarHBondContact O-CB 3.43Å; L154-L157 PolarHBondContact O-N 3.25Å; L154-L157 VanDerWaalsContact O-N 3.11Å; L157-W160 WeakPolarHBondContact O-CB 3.39Å; L157-W160 PolarHBondContact O-N 3.4Å; L157-W160 VanDerWaalsContact O-N 3.11Å; L157-L161 HydrophobicContact CD2-CD1 4.43Å; L157-L161 PolarHBondContact O-N 3.38Å
158E52.6Low43.5Very low117 Ų117123.5 Ų123.555%0.54768%0.682SS.*Hα-helixtrans-61.8-42.2169.7-71.8175.3167.200111.7L154 W160 L161 L162L154-E158 PolarHBondContact O-N 3.2Å; L154-E158 VanDerWaalsContact O-N 3.08Å; E158-W160 PolarHBondContact O-N 3.17Å; E158-L161 PolarHBondContact O-N 3.32Å; E158-L162 WeakPolarHBondContact O-CB 3.35Å; E158-L162 WeakPolarHBondContact O-CD1 3.36Å; E158-L162 PolarHBondContact O-N 3.08Å
159N50.5Low43Very low102 Ų102128.1 Ų128.155%0.54569%0.69SS.*Hα-helixtrans-70.2-14.9174.2-80.2-29.2000114.1K155 K163K155-N159 WeakPolarHBondContact O-CB 3.49Å; K155-N159 VanDerWaalsContact O-CG 3.3Å; K155-N159 PolarHBondContact O-N 3.07Å; K155-N159 PolarHBondContact O-ND2 2.93Å; K155-N159 VanDerWaalsContact O-ND2 3.13Å; N159-K163 WeakPolarHBondContact O-CB 2.99Å
160W43.9Very low42.5Very low201 Ų201128.6 Ų128.676%0.76169%0.687SS**Hα-helixtrans-84.4-42.5173.5-151.976.7000110.4G156 L157 E158 K163 S164G156-W160 WeakPolarHBondContact O-CB 3.47Å; G156-W160 PolarHBondContact O-N 3.05Å; G156-W160 VanDerWaalsContact O-N 3.11Å; L157-W160 WeakPolarHBondContact O-CB 3.39Å; L157-W160 PolarHBondContact O-N 3.4Å; L157-W160 VanDerWaalsContact O-N 3.11Å; E158-W160 PolarHBondContact O-N 3.17Å; W160-K163 PolarHBondContact O-N 3.12Å; W160-S164 PolarHBondContact O-N 3.46Å; W160-S164 PolarHBondContact O-OG 2.98Å
161L42.6Very low41.8Very low112 Ų112130.2 Ų130.259%0.58668%0.683SS**Hα-helixtrans-67.3-40.9174.6-97.5147.5000113.3L157 E158 K163 S164L157-L161 HydrophobicContact CD2-CD1 4.43Å; L157-L161 PolarHBondContact O-N 3.38Å; E158-L161 PolarHBondContact O-N 3.32Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 3.02Å; L161-S164 PolarHBondContact O-OG 3.39Å
162L46.9Very low40.8Very low112 Ų112132.1 Ų132.159%0.58668%0.68SS**THydrogen-bonded Turntrans-71-21.6174.9-87.4143.5000113.1E158E158-L162 WeakPolarHBondContact O-CB 3.35Å; E158-L162 WeakPolarHBondContact O-CD1 3.36Å; E158-L162 PolarHBondContact O-N 3.08Å
163K41.8Very low40.4Very low159 Ų159134 Ų13469%0.69167%0.674SS**THydrogen-bonded Turntrans-89-16.8-179.4-161.4166.3-170.5-178.50113N159 W160 L161 E165N159-K163 WeakPolarHBondContact O-CB 2.99Å; W160-K163 PolarHBondContact O-N 3.12Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 3.02Å; K163-E165 VanDerWaalsContact C-N 3.29Å
164S39.5Very low39.5Very low95 Ų95134.2 Ų134.266%0.66469%0.685SS**SBendtrans-76-13.7164.944.40000113.8W160 L161W160-S164 PolarHBondContact O-N 3.46Å; W160-S164 PolarHBondContact O-OG 2.98Å; L161-S164 PolarHBondContact O-OG 3.39Å
165E39.3Very low38.5Very low159 Ų159135 Ų13574%0.74369%0.685SS**SBendtrans-101.6-10.6-177.3-144.7-179.8172.900114K163K163-E165 VanDerWaalsContact C-N 3.29Å
166K45.7Very low37.2Very low182 Ų182132.7 Ų132.779%0.79169%0.688SS**  trans-144.284.7179.5-70.7-176.5-178.9166.70114.6
167S25.7Very low36.2Very low108 Ų108136.9 Ų136.976%0.75571%0.709SS**  trans-173.3124145.759.40000107.2
168S32.1Very low35.2Very low95 Ų95138 Ų13866%0.66472%0.72SS**  cis-161.8105.325.3157.30000108.2Q170S168-Q170 PolarHBondContact O-N 2.9Å; S168-Q170 PolarHBondContact OG-N 3.2Å
169Y30.6Very low34Very low246 Ų246137.1 Ų137.197%0.96573%0.727SS**  trans-81.493.2146.5-79.5-83.9000106.5
170Q30.4Very low33.1Very low171 Ų171136.5 Ų136.580%0.79973%0.73SS**  trans-99.890.2165.8-164.4165.7-4.100109.2S168 C172S168-Q170 PolarHBondContact O-N 2.9Å; S168-Q170 PolarHBondContact OG-N 3.2Å; Q170-C172 PolarHBondContact O-N 3.43Å
171K26.1Very low32.3Very low173 Ų173136.6 Ų136.675%0.75274%0.736SS**  trans-18.3106.1157.2-170.3171.3-175.91730115N173K171-N173 VanDerWaalsContact CE-OD1 3.29Å; K171-N173 WeakPolarHBondContact CE-OD1 2.91Å
172C23.9Very low31.8Very low130 Ų130136.2 Ų136.288%0.87874%0.743SS**  trans-82120.2144.3-84.90000107.8Q170 S174Q170-C172 PolarHBondContact O-N 3.43Å; C172-S174 PolarHBondContact O-N 3.38Å
173N28.4Very low31Very low106 Ų106138.9 Ų138.957%0.56776%0.756SS**  trans-61.4128.5170.8-90.3-2.8000110.3K171K171-N173 VanDerWaalsContact CE-OD1 3.29Å; K171-N173 WeakPolarHBondContact CE-OD1 2.91Å
174S28.9Very low30.3Very low120 Ų120139.5 Ų139.584%0.83976%0.762SS**  trans-155.5140.4134.8-75.80000108.3C172C172-S174 PolarHBondContact O-N 3.38Å
175H27.9Very low30Very low158 Ų158142.6 Ų142.673%0.73177%0.768SS**  trans-84.7167.7-158.6-60.3-100.1000113.2
176S27.4Very low29.4Very low107 Ų107144.3 Ų144.375%0.74878%0.776SS**  trans93.4128.8160.4-52.10000116
177T27.6Very low28.8Very low114 Ų114144.3 Ų144.370%0.69978%0.776SS**  cis-175.3147.5-2.718.60000106.6
178T27.6Very low29.1Very low131 Ų131145.7 Ų145.780%0.80478%0.779SS**  trans60.4138.2148.644.50000119.6
179S27.6Very low28.8Very low98 Ų98144.6 Ų144.669%0.68578%0.783SS**  cis-1721391.350.90000107.9
180S30.4Very low28.9Very low89 Ų89140.2 Ų140.262%0.62278%0.776SS**  trans35.1137131.9-35.70000119.5
181F28.7Very low28.9Very low203 Ų203140.6 Ų140.689%0.8978%0.778SS**  cis-162.3151.344.2-91.8-82.5000111.7
182S31.5Very low29.1Very low105 Ų105140.9 Ų140.973%0.73478%0.782SS**  trans-79.8161.7166.4-51.80000112.7
183I29.8Very low29.5Very low167 Ų167142.7 Ų142.786%0.85678%0.782SS**  trans179100.2140.5-90.7148.3000104.4
184E27.9Very low29.8Very low173 Ų173143.4 Ų143.481%0.80879%0.792SS**  70.1106.275.8-147.1177.2-155.400115.9
185M31.7Very low30.2Very low160 Ų160145.4 Ų145.479%0.78879%0.794SS**  trans45.6126.2155.682.5178.8-89.900122.7
186E27.1Very low30.5Very low194 Ų194146.8 Ų146.891%0.90780%0.8SS**  -156.6169.2119.4-138.8-178.8151.100110.8
187K33.9Very low31.1Very low182 Ų182149.1 Ų149.179%0.79181%0.805SS**  trans-111.4160.9-145.1-159-171.2-179-174.60111.6
188V31.3Very low32Very low137 Ų137152.7 Ų152.783%0.8381%0.813SS**  trans82124.7157.3-171.10000117.8
189G26.9Very low32.8Very low72 Ų72154.7 Ų154.774%0.74282%0.816SS**  trans163.299161.100000113.2
190D32.5Very low33.8Very low155 Ų155155.2 Ų155.283%0.82981%0.811SS**  trans-45130172.2-171.925000115.2
191Q30.6Very low34.3Very low178 Ų178158.2 Ų158.283%0.83282%0.819SS**  trans-179.1119.6141.1-106.3160.331.200114.3
192E29.3Very low35.6Very low179 Ų179152 Ų15284%0.83680%0.801SS**  trans21113.5149.6-73.117114600119.6
193L32.7Very low36.6Very low169 Ų169153.8 Ų153.889%0.88580%0.802SS**  trans-79.4129.6151.3-76.8164.1000108.3
194P35.3Very low37.6Very low120 Ų120157.4 Ų157.478%0.77981%0.805SS**  trans-71.1143.4174.828.7-31.4000110.8Q196P194-Q196 PolarHBondContact O-N 2.64Å
195D35.6Very low38.1Very low162 Ų162155.3 Ų155.387%0.86680%0.799SS**  trans-43.3125175.6-81.3-40.7000112D197D195-D197 PolarHBondContact O-N 3.45Å
196Q35.7Very low38.6Very low187 Ų187154.4 Ų154.487%0.87480%0.802SS**  trans-83.9106.6168.2-174.7169.1-5.700107P194 E198P194-Q196 PolarHBondContact O-N 2.64Å; Q196-E198 PolarHBondContact O-N 3.17Å
197D39.3Very low39Very low157 Ų157150.5 Ų150.584%0.8479%0.792SS**  trans-46.1105.8175.1-75-43.2000110.8D195 M199D195-D197 PolarHBondContact O-N 3.45Å; D197-M199 PolarHBondContact O-N 3.37Å
198E46.8Very low39Very low189 Ų189147.9 Ų147.988%0.88379%0.793SS**  trans-67.7108.8165.3-71.9-168.4160.400107.5Q196 D200Q196-E198 PolarHBondContact O-N 3.17Å; E198-D200 PolarHBondContact O-N 3.24Å
199M44.3Very low39Very low173 Ų173150 Ų15085%0.85279%0.794SS**  trans-65.8106.1171.1-153.191.575.400108.2D197 L201D197-M199 PolarHBondContact O-N 3.37Å; M199-L201 PolarHBondContact O-N 2.94Å
200D48.2Very low39.5Very low109 Ų109154.6 Ų154.658%0.58380%0.796SS**  trans-61.6124.6-178.5-175.82.7000110.8E198 S202 D203E198-D200 PolarHBondContact O-N 3.24Å; D200-S202 VanDerWaalsContact CG-OG 3.25Å; D200-S202 PolarHBondContact O-N 3.34Å; D200-S202 WeakPolarHBondContact OD1-CB 3.09Å; D200-S202 PolarHBondContact OD1-N 3.46Å; D200-S202 VanDerWaalsContact OD1-N 3.13Å; D200-S202 PolarHBondContact OD1-OG 2.78Å; D200-S202 WeakPolarHBondContact OD2-CB 3.49Å; D200-S202 PolarHBondContact OD2-OG 2.76Å; D200-D203 PolarHBondContact O-N 2.87Å
201L41.6Very low39.5Very low152 Ų152152.3 Ų152.380%0.79679%0.792SS**G310 helixtrans-64.3-5.2179.4-68.8168.6000113.1M199 D203M199-L201 PolarHBondContact O-N 2.94Å; L201-D203 VanDerWaalsContact C-N 3.34Å
202S56.4Low39.6Very low72 Ų72151.8 Ų151.850%0.50379%0.789SS.*G310 helixtrans-71.1-23175.5-52.70000113.7D200 W204 L205D200-S202 VanDerWaalsContact CG-OG 3.25Å; D200-S202 PolarHBondContact O-N 3.34Å; D200-S202 WeakPolarHBondContact OD1-CB 3.09Å; D200-S202 PolarHBondContact OD1-N 3.46Å; D200-S202 VanDerWaalsContact OD1-N 3.13Å; D200-S202 PolarHBondContact OD1-OG 2.78Å; D200-S202 WeakPolarHBondContact OD2-CB 3.49Å; D200-S202 PolarHBondContact OD2-OG 2.76Å; S202-W204 VanDerWaalsContact C-N 3.28Å; S202-W204 PolarHBondContact O-N 3.27Å; S202-L205 PolarHBondContact O-N 3.08Å
203D52.7Low39.9Very low143 Ų143153.2 Ų153.277%0.76579%0.793SS**G310 helixtrans-74.1-17.2178.6-100.93.8000113.5D200 L201D200-D203 PolarHBondContact O-N 2.87Å; L201-D203 VanDerWaalsContact C-N 3.34Å
204W50Low40.3Very low242 Ų242153.5 Ų153.592%0.91780%0.795SS**G310 helixtrans-88.9-12.5176.8-107.850.5000113.9S202S202-W204 VanDerWaalsContact C-N 3.28Å; S202-W204 PolarHBondContact O-N 3.27Å
205L38.1Very low40Very low130 Ų130159.2 Ų159.268%0.68180%0.801SS**  trans-109.186.1-179.1-65.7176.9000110S202 T207S202-L205 PolarHBondContact O-N 3.08Å; L205-T207 PolarHBondContact O-N 3.27Å
206V42.1Very low40.1Very low141 Ų141160.7 Ų160.786%0.85580%0.799SS**  trans-71.383.9167-174.90000109
207T36.8Very low39.9Very low112 Ų112158 Ų15869%0.68780%0.798SS**  trans-79.1133.5158.935.30000109.3L205 Q209L205-T207 PolarHBondContact O-N 3.27Å; T207-Q209 PolarHBondContact O-N 2.82Å
208P33Very low39.7Very low127 Ų127159.5 Ų159.583%0.82580%0.8SS**  trans-62.7109.5172.6-16.729.4000109.5E210P208-E210 PolarHBondContact O-N 2.83Å
209Q31.6Very low39.5Very low182 Ų182158.6 Ų158.685%0.8580%0.801SS**  trans-75.8117.8177.7-168.5178.2-10.900109.9T207 S211T207-Q209 PolarHBondContact O-N 2.82Å; Q209-S211 PolarHBondContact O-N 3.49Å
210E36.3Very low39.3Very low168 Ų168153.6 Ų153.679%0.78579%0.794SS**  trans-79.791.2177.9-156.9164-143.100109.4P208 H212P208-E210 PolarHBondContact O-N 2.83Å; E210-H212 PolarHBondContact O-N 3.36Å
211S33.1Very low39Very low107 Ų107151.9 Ų151.975%0.74879%0.79SS**  trans-87.994.3175.267.20000111Q209 K213Q209-S211 PolarHBondContact O-N 3.49Å; S211-K213 PolarHBondContact O-N 3.44Å
212H33Very low39.1Very low166 Ų166154.4 Ų154.477%0.76979%0.789SS**  trans-73.998.2158.1-76.5-71.9000109.9E210E210-H212 PolarHBondContact O-N 3.36Å
213K35.2Very low38.6Very low209 Ų209158.3 Ų158.391%0.90980%0.799SS**  trans-145.4124.9139.7-75-157-179.8178.30111.3S211 R215S211-K213 PolarHBondContact O-N 3.44Å; K213-R215 PolarHBondContact O-N 3.18Å
214L40.6Very low38.1Very low176 Ų176155.8 Ų155.892%0.92179%0.789SS**  trans-50.7115.6178.8-17279000113.6
215R30.4Very low37.9Very low240 Ų240147.7 Ų147.791%0.90677%0.77SS**  trans-147.4127.7144.6-159.6173.2-177.6-174.5-0.6109K213K213-R215 PolarHBondContact O-N 3.18Å
216K36.3Very low38.3Very low192 Ų192147.1 Ų147.184%0.83576%0.764SS**PPolyproline II helixtrans-48.3136.4-175.6-71.6174.3174.9178.30111.9E218K216-E218 PolarHBondContact O-N 3.43Å
217P33.1Very low38.4Very low130 Ų130148 Ų14884%0.84476%0.756SS**PPolyproline II helixtrans-79.4119.8168.230.9-27.6000108.9
218E34.4Very low38.7Very low190 Ų190150.2 Ų150.289%0.88876%0.756SS**PPolyproline II helixtrans-80.2144.9157.3-166.6163.517800108.5K216K216-E218 PolarHBondContact O-N 3.43Å
219N42.9Very low39.2Very low170 Ų170152.2 Ų152.291%0.90975%0.752SS**SBendtrans-48.9123.6-165.1-152.212.7000114.4
220G38.9Very low39.8Very low67 Ų67150.2 Ų150.269%0.69175%0.747SS**  trans166125.7167.400000114.8
221S42.9Very low40.1Very low73 Ų73148.5 Ų148.551%0.5174%0.742SS.*  trans77.877.3172.1-176.10000116.9T224S221-T224 PolarHBondContact OG-OG1 3Å
222R42.2Very low40.5Very low205 Ų205152.4 Ų152.477%0.77475%0.746SS**SBendtrans-76.9-6.7163.4-160.8174.2178.4-174.4-0.4113S225R222-S225 PolarHBondContact O-OG 3.41Å
223E46.4Very low40.9Very low154 Ų154151.1 Ų151.172%0.7274%0.74SS**SBendtrans-87.9-22.1-166.2-71.9148.5174.500114.8
224T43.3Very low41.1Very low90 Ų90146.7 Ų146.755%0.55274%0.735SS**Hα-helixtrans-84.8-23.4-178.746.30000113.4S221 F228S221-T224 PolarHBondContact OG-OG1 3Å; T224-F228 WeakPolarHBondContact O-CD2 3.23Å
225S45.8Very low41.3Very low72 Ų72147.5 Ų147.550%0.50373%0.727SS.*Hα-helixtrans-77.5-21.7179.1740000114.2R222R222-S225 PolarHBondContact O-OG 3.41Å
226E45Very low42.1Very low119 Ų119140.1 Ų140.156%0.55671%0.706SS**Hα-helixtrans-82.2-27.5-179.4-66.1-168.1163.800112.7K229E226-K229 PolarHBondContact O-N 3.38Å
227K45.7Very low42.5Very low159 Ų159136.3 Ų136.369%0.69170%0.699SS**Hα-helixtrans-70.2-32.7178.4-77.5-177.6176.2-179.90113.5
228F42.9Very low43.6Very low159 Ų159134.2 Ų134.270%0.69768%0.681SS**Hα-helixtrans-80.6-17.3177.3-71.3-78.9000113.5T224 L230T224-F228 WeakPolarHBondContact O-CD2 3.23Å; F228-L230 VanDerWaalsContact C-N 3.33Å
229K42.1Very low44.5Very low168 Ų168131.1 Ų131.173%0.7367%0.67SS**Hα-helixtrans-76-17.1173.6-88-176.9173.7-178.60114.1E226E226-K229 PolarHBondContact O-N 3.38Å
230L45Very low45.1Very low141 Ų141133.8 Ų133.874%0.73867%0.667SS**THydrogen-bonded Turntrans-82.5-11.3178.6-73.4167.4000113.8F228F228-L230 VanDerWaalsContact C-N 3.33Å
231L43.1Very low45.7Very low131 Ų131136 Ų13669%0.68666%0.663SS**SBendtrans-91.9-20.9-179.7-86154.3000113.8
232F42Very low46.2Very low189 Ų189139 Ų13983%0.82968%0.678SS**  trans-126.168.7176.3-71-81.1000110.1S234F232-S234 PolarHBondContact O-N 3.27Å
233Q40Very low46.2Very low139 Ų139136.7 Ų136.765%0.6567%0.673SS**  trans-72.9118.9161-144.6167.116.400107Y235Q233-Y235 WeakPolarHBondContact O-CD2 3.02Å; Q233-Y235 WeakPolarHBondContact O-CE2 2.88Å; Q233-Y235 PolarHBondContact O-N 2.9Å
234S40.4Very low46.1Very low116 Ų116135.8 Ų135.881%0.81168%0.678SS**  trans-63.5105.117654.10000109.1F232 N236F232-S234 PolarHBondContact O-N 3.27Å; S234-N236 PolarHBondContact O-N 3.03Å
235Y44Very low45.9Very low193 Ų193138.6 Ų138.676%0.75769%0.69SS**  trans-71.8125.8176.9-65.9-81.9000109.9Q233Q233-Y235 WeakPolarHBondContact O-CD2 3.02Å; Q233-Y235 WeakPolarHBondContact O-CE2 2.88Å; Q233-Y235 PolarHBondContact O-N 2.9Å
236N47.3Very low45.7Very low86 Ų86140 Ų14046%0.4670%0.7SS.*  trans-91.6124.2175.3-167.8-35000108.5S234 N238 D239S234-N236 PolarHBondContact O-N 3.03Å; N236-N238 PolarHBondContact O-N 2.94Å; N236-N238 VanDerWaalsContact OD1-CB 3.27Å; N236-N238 WeakPolarHBondContact OD1-CB 3.29Å; N236-N238 PolarHBondContact OD1-N 3.32Å; N236-N238 PolarHBondContact OD1-ND2 2.02Å; N236-D239 PolarHBondContact O-N 3.3Å
237V45.7Very low45.7Very low112 Ų112138 Ų13868%0.67970%0.698SS**G310 helixtrans-56.3-22.4179-178.40000111.9D239 W240V237-D239 PolarHBondContact O-N 2.89Å; V237-W240 PolarHBondContact O-N 3.29Å
238N56.4Low45.7Very low86 Ų86136.9 Ų136.946%0.4671%0.705SS.*G310 helixtrans-73.3-4.6176.5-61.3-59.8000115N236N236-N238 PolarHBondContact O-N 2.94Å; N236-N238 VanDerWaalsContact OD1-CB 3.27Å; N236-N238 WeakPolarHBondContact OD1-CB 3.29Å; N236-N238 PolarHBondContact OD1-N 3.32Å; N236-N238 PolarHBondContact OD1-ND2 2.02Å
239D53Low45.8Very low125 Ų125136.2 Ų136.267%0.66871%0.709SS**G310 helixtrans-82.8-18.8172.5-70.8-18.6000112.3N236 V237N236-D239 PolarHBondContact O-N 3.3Å; V237-D239 PolarHBondContact O-N 2.89Å
240W54.5Low45.6Very low225 Ų225132.9 Ų132.985%0.85271%0.705SS**THydrogen-bonded Turntrans-90.3-24.5177.1-67.966.8000112.5V237V237-W240 PolarHBondContact O-N 3.29Å
241L51.8Low45.7Very low113 Ų113135.3 Ų135.359%0.59271%0.713SS**SBendtrans-90.6109.3171.7-69.4166.7000106.8K243L241-K243 PolarHBondContact O-N 3.06Å
242V54.1Low45.9Very low136 Ų136132 Ų13282%0.82471%0.71SS**  trans-49.1113.2164.4176.30000106.2T244V242-T244 PolarHBondContact O-N 3.08Å
243K42.6Very low45.7Very low157 Ų157131.2 Ų131.268%0.68372%0.715SS**  trans-57.9108.4171.8-70178.9-177.6175.80105.3L241 D245L241-K243 PolarHBondContact O-N 3.06Å; K243-D245 PolarHBondContact O-N 2.92Å
244T44.1Very low46.1Very low135 Ų135133 Ų13383%0.82872%0.723SS**  trans-61.798.6162.438.40000105V242 S246V242-T244 PolarHBondContact O-N 3.08Å; T244-S246 PolarHBondContact O-N 3.46Å
245D38.3Very low46.4Very low150 Ų150133.1 Ų133.180%0.80272%0.721SS**  trans-45121.8159.3-72-34.9000105.8K243 C247K243-D245 PolarHBondContact O-N 2.92Å; D245-C247 VanDerWaalsContact C-N 3.34Å; D245-C247 PolarHBondContact O-N 1.99Å
246S42.7Very low46.4Very low101 Ų101133.7 Ų133.771%0.70673%0.727SS**  trans-51.798.3-179.252.80000108.8T244 T248T244-S246 PolarHBondContact O-N 3.46Å; S246-T248 PolarHBondContact O-N 2.79Å
247C44.3Very low46.5Very low76 Ų76132.4 Ų132.451%0.51474%0.735SS.*  trans-71.591.4165.9-176.50000106.4D245 N249 C250D245-C247 VanDerWaalsContact C-N 3.34Å; D245-C247 PolarHBondContact O-N 1.99Å; C247-N249 PolarHBondContact O-N 2.86Å; C247-C250 HydrophobicContact CB-CB 4.18Å; C247-C250 WeakPolarHBondContact CB-SG 3.16Å; C247-C250 WeakPolarHBondContact SG-CB 3.46Å; C247-C250 PolarHBondContact SG-N 3.29Å; C247-C250 CovalentContact SG-SG 2.06Å; C247-C250 PolarHBondContact SG-SG 2.78Å
248T45.6Very low46.6Very low136 Ų136133.6 Ų133.683%0.83474%0.742SS**THydrogen-bonded Turntrans-74.713.2169.445.40000112.4S246S246-T248 PolarHBondContact O-N 2.79Å
249N45.4Very low46.5Very low145 Ų145138 Ų13878%0.77576%0.76SS**THydrogen-bonded Turntrans-151.252.6-178.9-152.710.1000114.8C247C247-N249 PolarHBondContact O-N 2.86Å
250C38.5Very low46.7Very low98 Ų98138 Ų13866%0.66276%0.759SS**  trans-121.865174.7-65.30000110.3C247 G252C247-C250 HydrophobicContact CB-CB 4.18Å; C247-C250 WeakPolarHBondContact CB-SG 3.16Å; C247-C250 WeakPolarHBondContact SG-CB 3.46Å; C247-C250 PolarHBondContact SG-N 3.29Å; C247-C250 CovalentContact SG-SG 2.06Å; C247-C250 PolarHBondContact SG-SG 2.78Å; C250-G252 PolarHBondContact O-N 3.49Å
251Q45.3Very low47Very low193 Ų193136.2 Ų136.290%0.90276%0.76SS**  trans-74.3108.7153.4-89.5179.7-1200107.5
252G47.6Very low47Very low61 Ų61135.9 Ų135.963%0.62976%0.759SS**SBendtrans47.598.4162.100000117.2C250C250-G252 PolarHBondContact O-N 3.49Å
253N38.8Very low47Very low172 Ų172135.3 Ų135.392%0.9275%0.75SS**  trans-162.9132.7137.5-86.5-43000109.4
254Q47.9Very low47Very low176 Ų176131.7 Ų131.782%0.82276%0.757SS**  trans-50146.1178.8-67.4-79.2-20.300111.9K256Q254-K256 PolarHBondContact O-N 3.1Å
255P46.6Very low47.3Very low119 Ų119131.7 Ų131.777%0.77375%0.752SS**  trans-60.5124.5172.124.9-30.9000109.5G257P255-G257 PolarHBondContact O-N 2.8Å; P255-G257 VanDerWaalsContact O-N 3.1Å
256K45Very low47.7Very low205 Ų205129.1 Ų129.189%0.89174%0.738SS**  trans-62.2110.5177.2-159.7171.9-174.9-179.50108.1Q254Q254-K256 PolarHBondContact O-N 3.1Å
257G47.7Very low48Very low60 Ų60133.7 Ų133.762%0.61975%0.745SS**  trans-57.4137.3176.500000110.4P255 E259P255-G257 PolarHBondContact O-N 2.8Å; P255-G257 VanDerWaalsContact O-N 3.1Å; G257-E259 PolarHBondContact O-N 3.38Å; G257-E259 VanDerWaalsContact O-N 3.1Å
258V49.3Very low48.2Very low136 Ų136134.3 Ų134.382%0.82475%0.749SS**  trans-66.7107.4169.5176.10000107I260V258-I260 PolarHBondContact O-N 3.04Å
259E54Low48.3Very low179 Ų179133.9 Ų133.984%0.83674%0.741SS**  trans-66.5111.1171.4-73.2175.7179.300108.3G257 E261G257-E259 PolarHBondContact O-N 3.38Å; G257-E259 VanDerWaalsContact O-N 3.1Å; E259-E261 PolarHBondContact O-N 3.42Å
260I56.8Low48.1Very low125 Ų125132.4 Ų132.464%0.64173%0.733SS**  trans-79.8109.6166.1-44.8174.2000105.3V258 N262V258-I260 PolarHBondContact O-N 3.04Å; I260-N262 PolarHBondContact O-N 3.29Å
261E60.3Low48.6Very low188 Ų188134.1 Ų134.188%0.87974%0.736SS**THydrogen-bonded Turntrans-64.726.4-167.9-142.6175.3-165.800115.7E259E259-E261 PolarHBondContact O-N 3.42Å
262N52.4Low48.7Very low106 Ų106133 Ų13357%0.56773%0.73SS**THydrogen-bonded Turntrans-133.94.8-176.6-83.3-53000115.3I260 G264 N265I260-N262 PolarHBondContact O-N 3.29Å; N262-G264 PolarHBondContact O-N 2.89Å; N262-N265 PolarHBondContact O-N 3.1Å
263L53.2Low48.5Very low124 Ų124137.4 Ų137.465%0.64974%0.739SS**G310 helixtrans-72.5-17.2176.4-66173.5000113.3L266L263-L266 HydrophobicContact CD2-CD1 4.37Å
264G44.1Very low48.7Very low80 Ų80137.2 Ų137.283%0.82573%0.732SS**G310 helixtrans-80-11.7175.900000115.3N262N262-G264 PolarHBondContact O-N 2.89Å
265N49.9Very low48.2Very low135 Ų135133.1 Ų133.172%0.72273%0.728SS**G310 helixtrans-93.50.5178.8-85.1-27.1000113.4N262 K267N262-N265 PolarHBondContact O-N 3.1Å; N265-K267 PolarHBondContact O-N 3.09Å
266L46.1Very low47.6Very low97 Ų97136.5 Ų136.551%0.50873%0.731SS.*  trans-84.199.1175.2-68.6176.8000109.3L263 C268L263-L266 HydrophobicContact CD2-CD1 4.37Å; L266-C268 PolarHBondContact O-N 3.22Å
267K48.8Very low47.1Very low196 Ų196136.2 Ų136.285%0.85273%0.73SS**THydrogen-bonded Turntrans-59.6-1.9177.7-143.3177.8-176-177.10114.4N265N265-K267 PolarHBondContact O-N 3.09Å
268C49.7Very low46.6Very low90 Ų90139.5 Ų139.561%0.60874%0.74SS**THydrogen-bonded Turntrans-90.30.1-174.653.90000115.1L266L266-C268 PolarHBondContact O-N 3.22Å
269L46.4Very low45.9Very low126 Ų126140.6 Ų140.666%0.6674%0.74SS**SBendtrans-113.21.3-178.1-79.8166.9000115.2
270N42.5Very low44.9Very low115 Ų115137.2 Ų137.262%0.61574%0.737SS**SBendtrans-90.7-26.5-178-163.169.6000113.9
271D49Very low43.7Very low133 Ų133137.9 Ų137.971%0.71175%0.747SS**THydrogen-bonded Turntrans-88.5-9.5-168.3-67.2-11.9000114.3
272H46.8Very low43Very low169 Ų169134.9 Ų134.978%0.78274%0.743SS**THydrogen-bonded Turntrans-95.6-7-179.5-79.3-69.7000115.1
273L44Very low41.7Very low155 Ų155135.8 Ų135.881%0.81276%0.758SS**SBendtrans-104.9-11.5-174-72.2172.8000115.1
274E42.5Very low40.9Very low167 Ų167138.1 Ų138.178%0.7877%0.768SS**SBendtrans-96.72.9179.8-67.5-142.7158.400115.6K276E274-K276 PolarHBondContact O-N 3.24Å
275A37.7Very low40.5Very low90 Ų90140.5 Ų140.574%0.74477%0.766SS**SBendtrans-93.371.2176.700000113.1
276K34Very low39.8Very low190 Ų190139.5 Ų139.583%0.82677%0.765SS**  trans37.9118.6140.5-66.3179.4178.8175.50121E274E274-K276 PolarHBondContact O-N 3.24Å
277K34.3Very low39.9Very low200 Ų200143.7 Ų143.787%0.8778%0.782SS**  trans-48.7145.9140.9-115.8174.6179.9176.50110.9
278P37.7Very low39.2Very low128 Ų128142 Ų14283%0.83178%0.783SS**  -143.4169.39436.3-19.2000116.4
279L33.4Very low38.7Very low159 Ų159147.6 Ų147.683%0.83279%0.791SS**  trans-67.5138.4-176.8-167.875.2000114
280S32.3Very low38.2Very low108 Ų108148.9 Ų148.976%0.75580%0.798SS**  trans150.7144.4130.2-61.30000114.5
281T31.5Very low38.3Very low140 Ų140149.8 Ų149.886%0.85981%0.807SS**  trans-48.5169.2-168.919.30000121.8
282P45.5Very low37.9Very low124 Ų124151.9 Ų151.981%0.80581%0.813SS**  trans-99.9158.5-155.140.2-36.1000115.5
283S27.2Very low37.2Very low126 Ų126150.6 Ų150.688%0.88181%0.812SS**  trans-151.5142.7158.7-176.90000111.8
284M34.6Very low37.2Very low172 Ų172152.4 Ų152.485%0.84782%0.816SS**  trans-63.6167.2179.3-68.6176109.800113.9
285V36Very low36.9Very low131 Ų131152.8 Ų152.879%0.79482%0.817SS**  trans87.3105160.2-161.70000114.1
286T36.1Very low36.9Very low114 Ų114155.9 Ų155.970%0.69982%0.821SS**  -176126.691.1-45.20000108.4D288T286-D288 PolarHBondContact O-N 2.79Å
287E46.9Very low37.3Very low184 Ų184151.9 Ų151.986%0.8682%0.815SS**  trans-59.4112.9164-62.7-177.5165.800108.6
288D34.9Very low37.2Very low162 Ų162148.1 Ų148.187%0.86681%0.813SS**  trans-174.132.6164.4-97.9-19.8000114.2T286T286-D288 PolarHBondContact O-N 2.79Å
289W38.7Very low37.5Very low206 Ų206149.9 Ų149.978%0.7881%0.807SS**  trans-120.9-1172.989.5-81.3000114.5V291W289-V291 VanDerWaalsContact C-N 3.35Å; W289-V291 PolarHBondContact O-N 2.9Å
290L36.7Very low38.2Very low154 Ų154147.7 Ų147.781%0.80680%0.8SS**THydrogen-bonded Turntrans-84.310.2-165.8-142.795.4000115.9
291V44Very low39Very low134 Ų134151.2 Ų151.281%0.81280%0.804SS**THydrogen-bonded Turntrans-129.8-1-171.8-175.50000115.1W289W289-V291 VanDerWaalsContact C-N 3.35Å; W289-V291 PolarHBondContact O-N 2.9Å
292Q40.3Very low39.8Very low176 Ų176152.6 Ų152.682%0.82280%0.801SS**SBendtrans-133.948.1-171.2-153.4168.7-11.800115.7
293N32.1Very low40.1Very low143 Ų143150.3 Ų150.377%0.76579%0.785SS**  trans-149.464.5156-83.8-47.9000110.8Q295N293-Q295 VanDerWaalsContact C-N 3.3Å; N293-Q295 PolarHBondContact O-N 3.16Å
294H44.9Very low40.9Very low193 Ų193147 Ų14789%0.89476%0.761SS**  trans-79.787150.2-89.9-73.4000108.1
295Q36.6Very low41.7Very low175 Ų175150.7 Ų150.782%0.81877%0.765SS**  trans-179.683.5148.4-101.3-174.430.200105.5N293 P297N293-Q295 VanDerWaalsContact C-N 3.3Å; N293-Q295 PolarHBondContact O-N 3.16Å; Q295-P297 WeakPolarHBondContact O-CD 3.08Å
296D36.6Very low42.4Very low154 Ų154146.7 Ų146.782%0.82475%0.747SS**PPolyproline II helixtrans-68.6116.3161.3-81.9-45.2000107C298D296-C298 PolarHBondContact O-N 3.02Å
297P41.9Very low43.3Very low107 Ų107150 Ų15070%0.69576%0.76SS**PPolyproline II helixtrans-65.8117.7165.8-926.3000106.3Q295 K299Q295-P297 WeakPolarHBondContact O-CD 3.08Å; P297-K299 PolarHBondContact O-N 2.66Å; P297-K299 VanDerWaalsContact O-N 3.08Å
298C34.2Very low43.9Very low121 Ų121148.5 Ų148.582%0.81875%0.753SS**PPolyproline II helixtrans-48121.2171.2-70.90000109.2D296 V300D296-C298 PolarHBondContact O-N 3.02Å; C298-V300 PolarHBondContact O-N 3.05Å; C298-V300 VanDerWaalsContact O-N 3.14Å
299K42.8Very low44.9Very low164 Ų164147 Ų14771%0.71375%0.752SS**  trans-64.5114.8178.9-65.2-177-179.5-179.40108.5P297 E301 E302P297-K299 PolarHBondContact O-N 2.66Å; P297-K299 VanDerWaalsContact O-N 3.08Å; K299-E301 PolarHBondContact O-N 2.99Å; K299-E302 PolarHBondContact O-N 2.93Å
300V48.8Very low46.3Very low113 Ų113139.4 Ų139.469%0.68573%0.73SS**G310 helixtrans-59.9-16.1-177.2175.40000112.8C298 E302C298-V300 PolarHBondContact O-N 3.05Å; C298-V300 VanDerWaalsContact O-N 3.14Å; V300-E302 VanDerWaalsContact C-N 3.3Å; V300-E302 PolarHBondContact O-N 3.42Å
301E48.4Very low47.8Very low182 Ų182138.2 Ų138.285%0.8573%0.729SS**G310 helixtrans-75-10.3-175.9-79.5155.4146.400115.2K299K299-E301 PolarHBondContact O-N 2.99Å
302E48.6Very low48.8Very low169 Ų169134.7 Ų134.779%0.7971%0.71SS**G310 helixtrans-91.2-7.8-177.8-70.9-174.3166.700115.1K299 V300K299-E302 PolarHBondContact O-N 2.93Å; V300-E302 VanDerWaalsContact C-N 3.3Å; V300-E302 PolarHBondContact O-N 3.42Å
303V50.9Low49.7Very low77 Ų77133.3 Ų133.347%0.46770%0.702SS.*THydrogen-bonded Turntrans-138.4-14.5-177.1-164.30000116.2R305 V317V303-R305 PolarHBondContact O-N 3.35Å; V303-R305 VanDerWaalsContact O-N 3.15Å; V303-V317 HydrophobicContact CG1-CG1 4.41Å; V303-V317 HydrophobicContact CG1-CG2 3.87Å
304C44.6Very low51.2Low56 Ų56130.5 Ų130.538%0.37870%0.699SS.*  trans-85.395.3-179.3-81.20000113C316C304-C316 VanDerWaalsContact SG-CB 3.51Å; C304-C316 PolarHBondContact SG-SG 3.25Å
305R51.8Low52.1Low249 Ų249126.9 Ų126.994%0.9468%0.682SS**  trans-9378.5155.8-80.8-162.7-164.6-137.25.4110.7V303V303-R305 PolarHBondContact O-N 3.35Å; V303-R305 VanDerWaalsContact O-N 3.15Å
306A51.1Low53.4Low48 Ų48119.5 Ų119.540%0.39765%0.65SS.*  trans-160.5128.5150.900000107.8E308A306-E308 HydrophobicContact CB-CB 4.33Å; A306-E308 PolarHBondContact O-N 2.8Å
307N53.9Low55Low184 Ų184114.1 Ų114.198%0.98462%0.622SS**SBendtrans-72.337.7167.9-70.4-37.6000111
308E59.8Low56.1Low151 Ų151112.7 Ų112.771%0.70661%0.614SS**SBendtrans-127138.6179.9-66.3-172.1172.600108.7A306 C310A306-E308 HydrophobicContact CB-CB 4.33Å; A306-E308 PolarHBondContact O-N 2.8Å; E308-C310 PolarHBondContact O-N 3.21Å
309P56.5Low57.5Low131 Ų131113 Ų11385%0.85161%0.608SS**  trans-70.5104177.728.2-32.1000109.7
310C67.4Low58.3Low47 Ų47114.2 Ų114.232%0.31862%0.616SS.*  trans-76.1146.9169.6-59.30000110.9E308 C316E308-C310 PolarHBondContact O-N 3.21Å; C310-C316 HydrophobicContact CB-CB 3.59Å; C310-C316 WeakPolarHBondContact CB-SG 3.47Å; C310-C316 WeakPolarHBondContact SG-CA 3.2Å; C310-C316 WeakPolarHBondContact SG-CB 3.09Å; C310-C316 CovalentContact SG-SG 2.02Å; C310-C316 PolarHBondContact SG-SG 3.18Å
311T68.1Low58.8Low128 Ų128113 Ų11379%0.78561%0.606SS**SBendtrans-88.2-15178.465.60000113.1E315T311-E315 PolarHBondContact N-OE2 3.39Å; T311-E315 PolarHBondContact OG1-OE2 3.04Å
312S66.3Low59.6Low60 Ų60106.6 Ų106.642%0.4258%0.58SS.*SBendtrans-150.315917475.20000113.1A314 E315 C316S312-A314 VanDerWaalsContact C-N 3.34Å; S312-A314 PolarHBondContact O-N 3.29Å; S312-E315 WeakPolarHBondContact O-CB 3.3Å; S312-E315 PolarHBondContact O-N 3.03Å; S312-E315 WeakPolarHBondContact OG-CB 3.18Å; S312-E315 PolarHBondContact OG-N 3.39Å; S312-C316 PolarHBondContact O-N 3.49Å
313F58.1Low60.2Low147 Ų147106 Ų10665%0.64558%0.578SS**Hα-helixtrans-60-42.1176.8179.1-104.2000112.1E315 C316 V317F313-E315 PolarHBondContact O-N 2.96Å; F313-C316 PolarHBondContact O-N 3.47Å; F313-C316 VanDerWaalsContact O-N 3.08Å; F313-V317 HydrophobicContact CD1-CG2 3.83Å; F313-V317 HydrophobicContact CD2-CG2 3.97Å; F313-V317 HydrophobicContact CE1-CG2 3.51Å; F313-V317 HydrophobicContact CE2-CG2 3.65Å; F313-V317 HydrophobicContact CG-CG2 4.06Å; F313-V317 HydrophobicContact CZ-CG2 3.42Å; F313-V317 VanDerWaalsContact CZ-CG2 3.42Å; F313-V317 VanDerWaalsContact O-CG2 3.23Å; F313-V317 WeakPolarHBondContact O-CG2 3.27Å; F313-V317 PolarHBondContact O-N 3.39Å
314A63.8Low61.1Low85 Ų85108.4 Ų108.470%0.70258%0.582SS**Hα-helixtrans-65.7-21.6178.200000113.6S312S312-A314 VanDerWaalsContact C-N 3.34Å; S312-A314 PolarHBondContact O-N 3.29Å
315E63.1Low62.4Low117 Ų117111 Ų11155%0.54759%0.588SS.*Hα-helixtrans-81.8-25.9175-173.9178.4-157.800112.2T311 S312 F313T311-E315 PolarHBondContact N-OE2 3.39Å; T311-E315 PolarHBondContact OG1-OE2 3.04Å; S312-E315 WeakPolarHBondContact O-CB 3.3Å; S312-E315 PolarHBondContact O-N 3.03Å; S312-E315 WeakPolarHBondContact OG-CB 3.18Å; S312-E315 PolarHBondContact OG-N 3.39Å; F313-E315 PolarHBondContact O-N 2.96Å
316C64.9Low63.3Low20 Ų20101.9 Ų101.914%0.13557%0.566CS.*Hα-helixtrans-97.7-17.9-176.7-119.60000113.1C304 C310 S312 F313 C318C304-C316 VanDerWaalsContact SG-CB 3.51Å; C304-C316 PolarHBondContact SG-SG 3.25Å; C310-C316 HydrophobicContact CB-CB 3.59Å; C310-C316 WeakPolarHBondContact CB-SG 3.47Å; C310-C316 WeakPolarHBondContact SG-CA 3.2Å; C310-C316 WeakPolarHBondContact SG-CB 3.09Å; C310-C316 CovalentContact SG-SG 2.02Å; C310-C316 PolarHBondContact SG-SG 3.18Å; S312-C316 PolarHBondContact O-N 3.49Å; F313-C316 PolarHBondContact O-N 3.47Å; F313-C316 VanDerWaalsContact O-N 3.08Å; C316-C318 PolarHBondContact O-N 3.38Å
317V69.3Low64.2Low41 Ų41104.2 Ų104.225%0.24857%0.572CS.*SBendtrans-81.9112.5172.3175.90000108.3V303 F313 D319V303-V317 HydrophobicContact CG1-CG1 4.41Å; V303-V317 HydrophobicContact CG1-CG2 3.87Å; F313-V317 HydrophobicContact CD1-CG2 3.83Å; F313-V317 HydrophobicContact CD2-CG2 3.97Å; F313-V317 HydrophobicContact CE1-CG2 3.51Å; F313-V317 HydrophobicContact CE2-CG2 3.65Å; F313-V317 HydrophobicContact CG-CG2 4.06Å; F313-V317 HydrophobicContact CZ-CG2 3.42Å; F313-V317 VanDerWaalsContact CZ-CG2 3.42Å; F313-V317 VanDerWaalsContact O-CG2 3.23Å; F313-V317 WeakPolarHBondContact O-CG2 3.27Å; F313-V317 PolarHBondContact O-N 3.39Å; V317-D319 PolarHBondContact O-N 2.99Å
318C65.2Low64.8Low77 Ų77103.1 Ų103.152%0.5256%0.555SS.*  trans-69.2114.9169.7154.20000109.4C316 C322C316-C318 PolarHBondContact O-N 3.38Å; C318-C322 HydrophobicContact CB-CB 3.64Å; C318-C322 WeakPolarHBondContact CB-SG 3.46Å; C318-C322 WeakPolarHBondContact SG-CB 3.38Å; C318-C322 CovalentContact SG-SG 1.99Å; C318-C322 PolarHBondContact SG-SG 3.25Å
319D63.9Low65.3Low128 Ų128103.1 Ų103.168%0.68455%0.552SS**  trans-65.6165.4166.7-72.8-27.1000110.8V317 N321 C322V317-D319 PolarHBondContact O-N 2.99Å; D319-N321 PolarHBondContact O-N 3.28Å; D319-C322 PolarHBondContact O-N 2.76Å
320E60.8Low66.1Low189 Ų189104 Ų10488%0.88354%0.539SS*.THydrogen-bonded Turntrans-50.9-17.2-178.7-61.8-179.8168.400114.6
321N58.3Low66.2Low88 Ų88106 Ų10647%0.47155%0.546SS..THydrogen-bonded Turntrans-93.6-8.8180-77.530.4000114.8D319 E323 K324 E325D319-N321 PolarHBondContact O-N 3.28Å; N321-E323 VanDerWaalsContact C-N 3.25Å; N321-E323 PolarHBondContact O-N 2.72Å; N321-K324 PolarHBondContact O-N 3.08Å; N321-K324 VanDerWaalsContact O-N 3.08Å; N321-E325 PolarHBondContact O-N 3.46Å
322C64.3Low66.1Low47 Ų47105.8 Ų105.832%0.31854%0.539SS..Hα-helixtrans-67.4-27.8-174.4102.80000112.6C318 D319 K324 E325 A326C318-C322 HydrophobicContact CB-CB 3.64Å; C318-C322 WeakPolarHBondContact CB-SG 3.46Å; C318-C322 WeakPolarHBondContact SG-CB 3.38Å; C318-C322 CovalentContact SG-SG 1.99Å; C318-C322 PolarHBondContact SG-SG 3.25Å; D319-C322 PolarHBondContact O-N 2.76Å; C322-K324 VanDerWaalsContact C-N 3.33Å; C322-E325 PolarHBondContact O-N 3.33Å; C322-A326 WeakPolarHBondContact O-CB 3.37Å; C322-A326 PolarHBondContact O-N 3.29Å
323E63.1Low66Low157 Ų157110 Ų11073%0.73455%0.55SS*.Hα-helixtrans-62.7-43.6173.2-174.8-179.2-176.500110.5N321 L327N321-E323 VanDerWaalsContact C-N 3.25Å; N321-E323 PolarHBondContact O-N 2.72Å; E323-L327 WeakPolarHBondContact O-CB 3.33Å; E323-L327 PolarHBondContact O-N 3.21Å
324K69.7Low66.1Low127 Ų127107.6 Ų107.655%0.55254%0.539SS*.Hα-helixtrans-68.1-45.3178-66.8177.4-176.7167.60110.7N321 C322 L327 Y328N321-K324 PolarHBondContact O-N 3.08Å; N321-K324 VanDerWaalsContact O-N 3.08Å; C322-K324 VanDerWaalsContact C-N 3.33Å; K324-L327 WeakPolarHBondContact O-CB 3.38Å; K324-L327 PolarHBondContact O-N 3.14Å; K324-Y328 HydrophobicContact CB-CD2 4.33Å; K324-Y328 HydrophobicContact CB-CE2 4.31Å; K324-Y328 WeakPolarHBondContact O-CB 3.19Å; K324-Y328 WeakPolarHBondContact O-CD2 3.41Å; K324-Y328 PolarHBondContact O-N 2.86Å
325E70.3Confident65.6Low110 Ų110110.8 Ų110.851%0.51454%0.54SS..Hα-helixtrans-66.7-36.6178.6-69.3-174.8-171.800112.8N321 C322 Y328 K329N321-E325 PolarHBondContact O-N 3.46Å; C322-E325 PolarHBondContact O-N 3.33Å; E325-Y328 PolarHBondContact O-N 3.05Å; E325-K329 VanDerWaalsContact O-CB 3.29Å; E325-K329 WeakPolarHBondContact O-CB 3.43Å; E325-K329 WeakPolarHBondContact O-CG 3.49Å; E325-K329 PolarHBondContact O-N 3.15Å
326A71.8Confident65.2Low58 Ų58107.5 Ų107.548%0.47954%0.537SS..Hα-helixtrans-66.9-41.6172.600000111C322 K329 W330C322-A326 WeakPolarHBondContact O-CB 3.37Å; C322-A326 PolarHBondContact O-N 3.29Å; A326-K329 PolarHBondContact O-N 2.89Å; A326-W330 WeakPolarHBondContact O-CB 3.42Å; A326-W330 PolarHBondContact O-N 3.02Å
327L69.1Low65Low97 Ų97110.3 Ų110.351%0.50855%0.547SS..Hα-helixtrans-63.1-46.1174.1-168.188.6000110.9E323 K324 W330 L331E323-L327 WeakPolarHBondContact O-CB 3.33Å; E323-L327 PolarHBondContact O-N 3.21Å; K324-L327 WeakPolarHBondContact O-CB 3.38Å; K324-L327 PolarHBondContact O-N 3.14Å; L327-W330 PolarHBondContact O-N 2.8Å; L327-L331 HydrophobicContact CD2-CD1 4.14Å; L327-L331 HydrophobicContact CG-CD1 3.98Å; L327-L331 HydrophobicContact CG-CG 4.47Å; L327-L331 VanDerWaalsContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CB 3.29Å; L327-L331 WeakPolarHBondContact O-CG 3.15Å; L327-L331 PolarHBondContact O-N 3.33Å
328Y66.9Low64.5Low161 Ų161111.7 Ų111.763%0.63155%0.553SS**Hα-helixtrans-62.1-47.7176.4-81.3-64.4000111.3K324 E325 W330 L331 L332K324-Y328 HydrophobicContact CB-CD2 4.33Å; K324-Y328 HydrophobicContact CB-CE2 4.31Å; K324-Y328 WeakPolarHBondContact O-CB 3.19Å; K324-Y328 WeakPolarHBondContact O-CD2 3.41Å; K324-Y328 PolarHBondContact O-N 2.86Å; E325-Y328 PolarHBondContact O-N 3.05Å; Y328-W330 VanDerWaalsContact C-N 3.32Å; Y328-W330 PolarHBondContact O-N 3.06Å; Y328-L331 PolarHBondContact O-N 3.43Å; Y328-L332 WeakPolarHBondContact O-CB 3.23Å; Y328-L332 PolarHBondContact O-N 3.47Å
329K71.1Confident64.3Low151 Ų151118.2 Ų118.266%0.65757%0.573SS**Hα-helixtrans-62.6-38.1174.9-78.7177.9179.3170.90112E325 A326 K333E325-K329 VanDerWaalsContact O-CB 3.29Å; E325-K329 WeakPolarHBondContact O-CB 3.43Å; E325-K329 WeakPolarHBondContact O-CG 3.49Å; E325-K329 PolarHBondContact O-N 3.15Å; A326-K329 PolarHBondContact O-N 2.89Å; K329-K333 WeakPolarHBondContact O-CB 3.35Å; K329-K333 PolarHBondContact O-N 3.05Å
330W72.6Confident64.1Low150 Ų150118.7 Ų118.757%0.56858%0.575SS**Hα-helixtrans-68-43.5177.5-175.993.1000111.4A326 L327 Y328 K333 K334A326-W330 WeakPolarHBondContact O-CB 3.42Å; A326-W330 PolarHBondContact O-N 3.02Å; L327-W330 PolarHBondContact O-N 2.8Å; Y328-W330 VanDerWaalsContact C-N 3.32Å; Y328-W330 PolarHBondContact O-N 3.06Å; W330-K333 PolarHBondContact O-N 3.36Å; W330-K334 HydrophobicContact CD2-CG 4.25Å; W330-K334 HydrophobicContact CE3-CG 4.26Å; W330-K334 HydrophobicContact CH2-CG 4.3Å; W330-K334 HydrophobicContact CZ2-CG 4.28Å; W330-K334 HydrophobicContact CZ3-CG 4.29Å; W330-K334 VanDerWaalsContact O-CG 3.27Å; W330-K334 WeakPolarHBondContact O-CG 3.45Å; W330-K334 PolarHBondContact O-N 3Å
331L68.6Low63.6Low89 Ų89111.3 Ų111.347%0.46655%0.55SS..Hα-helixtrans-63.8-44.5174.7-72.6168.6000111.3L327 Y328 K333 K334 E335L327-L331 HydrophobicContact CD2-CD1 4.14Å; L327-L331 HydrophobicContact CG-CD1 3.98Å; L327-L331 HydrophobicContact CG-CG 4.47Å; L327-L331 VanDerWaalsContact O-CB 3.3Å; L327-L331 WeakPolarHBondContact O-CB 3.29Å; L327-L331 WeakPolarHBondContact O-CG 3.15Å; L327-L331 PolarHBondContact O-N 3.33Å; Y328-L331 PolarHBondContact O-N 3.43Å; L331-K333 VanDerWaalsContact C-N 3.31Å; L331-K333 PolarHBondContact O-N 3.07Å; L331-K334 WeakPolarHBondContact O-CB 3.39Å; L331-K334 PolarHBondContact O-N 3.41Å; L331-K334 VanDerWaalsContact O-N 3.1Å; L331-E335 PolarHBondContact O-N 3.3Å; L331-E335 VanDerWaalsContact O-N 3.1Å
332L67.8Low63.1Low122 Ų122113 Ų11364%0.63956%0.556SS**Hα-helixtrans-62.8-37.5174.8-130.175.7000111.8Y328 K334 E335Y328-L332 WeakPolarHBondContact O-CB 3.23Å; Y328-L332 PolarHBondContact O-N 3.47Å; L332-K334 PolarHBondContact O-N 3.4Å; L332-E335 WeakPolarHBondContact O-CB 3.47Å; L332-E335 PolarHBondContact O-N 3.32Å
333K64.3Low62.2Low148 Ų148115.2 Ų115.264%0.64357%0.57SS**Hα-helixtrans-73.6-15177.1-166.6172.1-176.3176.90112.9K329 W330 L331 K337K329-K333 WeakPolarHBondContact O-CB 3.35Å; K329-K333 PolarHBondContact O-N 3.05Å; W330-K333 PolarHBondContact O-N 3.36Å; L331-K333 VanDerWaalsContact C-N 3.31Å; L331-K333 PolarHBondContact O-N 3.07Å; K333-K337 WeakPolarHBondContact O-CD 3.26Å; K333-K337 WeakPolarHBondContact O-CE 3.35Å
334K59.3Low61.6Low97 Ų97112.2 Ų112.242%0.42256%0.563SS.*Hα-helixtrans-91.5-15.8171.6-70.9-70.3-177.5177.80112.7W330 L331 L332 G336 K337W330-K334 HydrophobicContact CD2-CG 4.25Å; W330-K334 HydrophobicContact CE3-CG 4.26Å; W330-K334 HydrophobicContact CH2-CG 4.3Å; W330-K334 HydrophobicContact CZ2-CG 4.28Å; W330-K334 HydrophobicContact CZ3-CG 4.29Å; W330-K334 VanDerWaalsContact O-CG 3.27Å; W330-K334 WeakPolarHBondContact O-CG 3.45Å; W330-K334 PolarHBondContact O-N 3Å; L331-K334 WeakPolarHBondContact O-CB 3.39Å; L331-K334 PolarHBondContact O-N 3.41Å; L331-K334 VanDerWaalsContact O-N 3.1Å; L332-K334 PolarHBondContact O-N 3.4Å; K334-G336 PolarHBondContact O-N 3.4Å; K334-G336 VanDerWaalsContact O-N 3.09Å; K334-K337 PolarHBondContact O-N 3.03Å
335E53.9Low60.4Low152 Ų152114.5 Ų114.571%0.7158%0.575SS**THydrogen-bonded Turntrans-67.9106.7170.6-157.9171.9-168.400108.8L331 L332L331-E335 PolarHBondContact O-N 3.3Å; L331-E335 VanDerWaalsContact O-N 3.1Å; L332-E335 WeakPolarHBondContact O-CB 3.47Å; L332-E335 PolarHBondContact O-N 3.32Å
336G54.8Low59.2Low48 Ų48115.2 Ų115.250%0.49559%0.589SS.*THydrogen-bonded Turntrans99.79.2-178.700000116.5K334 V344K334-G336 PolarHBondContact O-N 3.4Å; K334-G336 VanDerWaalsContact O-N 3.09Å; G336-V344 PolarHBondContact O-N 3.46Å
337K59.6Low57.4Low79 Ų79121.6 Ų121.634%0.34361%0.606SS.*BIsolated β-bridgetrans-115.6133.6173.5-59.7-171-176.4-167.10111.3K333 K334 M342K333-K337 WeakPolarHBondContact O-CD 3.26Å; K333-K337 WeakPolarHBondContact O-CE 3.35Å; K334-K337 PolarHBondContact O-N 3.03Å; K337-M342 WeakPolarHBondContact CA-O 3.27Å
338D59.7Low56.2Low71 Ų71123.2 Ų123.238%0.3862%0.623SS.*  trans-67.7177.2174.367.312000111.9N340 G341 M342 V344D338-N340 PolarHBondContact O-N 3.13Å; D338-N340 WeakPolarHBondContact OD1-CA 3.44Å; D338-N340 PolarHBondContact OD1-N 3.39Å; D338-G341 PolarHBondContact O-N 3.3Å; D338-G341 PolarHBondContact OD1-N 3.16Å; D338-G341 VanDerWaalsContact OD1-N 3.09Å; D338-M342 PolarHBondContact N-O 3.32Å; D338-M342 PolarHBondContact OD1-N 3.24Å; D338-M342 VanDerWaalsContact OD1-N 3.17Å; D338-V344 HydrophobicContact CB-CG2 4.42Å
339K60.5Low54.8Low213 Ų213124 Ų12493%0.92663%0.632SS**THydrogen-bonded Turntrans-60.9-5.8-179.7-63.5-176.9179.8-179.80113.6
340N59.2Low53.3Low138 Ų138121.4 Ų121.474%0.73863%0.631SS**THydrogen-bonded Turntrans-115.44-176.1-63.267.9000112.2D338D338-N340 PolarHBondContact O-N 3.13Å; D338-N340 WeakPolarHBondContact OD1-CA 3.44Å; D338-N340 PolarHBondContact OD1-N 3.39Å
341G51.1Low52Low34 Ų34123.3 Ų123.335%0.35165%0.646SS.*SBendtrans8210170.900000115.2D338D338-G341 PolarHBondContact O-N 3.3Å; D338-G341 PolarHBondContact OD1-N 3.16Å; D338-G341 VanDerWaalsContact OD1-N 3.09Å
342M47.1Very low50.9Low124 Ų124127.6 Ų127.661%0.61166%0.661SS**PPolyproline II helixtrans-88.2137.5177.5-65.7-60-70.500110.8K337 D338 V344K337-M342 WeakPolarHBondContact CA-O 3.27Å; D338-M342 PolarHBondContact N-O 3.32Å; D338-M342 PolarHBondContact OD1-N 3.24Å; D338-M342 VanDerWaalsContact OD1-N 3.17Å; M342-V344 PolarHBondContact O-N 3.19Å
343P45.7Very low49.7Very low93 Ų93129.5 Ų129.560%0.60467%0.666SS**BIsolated β-bridgetrans-68.8121.8175.527.2-30.2000109.7
344V50.2Low48.8Very low95 Ų95130.5 Ų130.558%0.57667%0.67SS**PPolyproline II helixtrans-78.7123.3171.4178.20000107.5G336 D338 M342G336-V344 PolarHBondContact O-N 3.46Å; D338-V344 HydrophobicContact CB-CG2 4.42Å; M342-V344 PolarHBondContact O-N 3.19Å
345E46.1Very low48.2Very low175 Ų175131.3 Ų131.382%0.81868%0.679SS**PPolyproline II helixtrans-57.7139.9177.4-78.8-174.5162.500111.5K347E345-K347 PolarHBondContact O-N 3.18Å
346P43.5Very low47.9Very low125 Ų125127.5 Ų127.581%0.81267%0.67SS**PPolyproline II helixtrans-72.6116.1-176.927.5-31.2000110.8
347K35Very low47.4Very low191 Ų191131.2 Ų131.283%0.8368%0.678SS**PPolyproline II helixtrans-66.2138.9154.9-80.5178.9177.8172.80108.4E345 E349E345-K347 PolarHBondContact O-N 3.18Å; K347-E349 PolarHBondContact O-N 3.29Å
348P42.5Very low46.7Very low132 Ų132132.9 Ų132.986%0.85769%0.69SS**  trans-71.8113.3176.829.2-30.5000108.7
349E37.8Very low46Very low177 Ų177136.7 Ų136.783%0.82771%0.707SS**  trans-126.1153.1168.4-105.4-161.3169.700111.3K347K347-E349 PolarHBondContact O-N 3.29Å
350P40Very low45.2Very low97 Ų97137.5 Ų137.563%0.6371%0.705SS**  trans-78.3138.4-153.831-34.5000113.1K352P350-K352 PolarHBondContact O-N 3.5Å
351E45.8Very low44.1Very low189 Ų189137.2 Ų137.288%0.88370%0.703SS**THydrogen-bonded Turntrans-54.43.9-173.2-79.7177.713500118.3
352K44.8Very low43.2Very low180 Ų180139.9 Ų139.978%0.78372%0.715SS**THydrogen-bonded Turntrans-93-5-166.6-65.1-169.4178.1-1770116.3P350P350-K352 PolarHBondContact O-N 3.5Å
353H43.2Very low42.4Very low161 Ų161140.3 Ų140.375%0.74573%0.727SS**SBendtrans-100.3-11.2-172.1-101.9-82.2000115.8
354K45.5Very low42Very low169 Ų169146.8 Ų146.874%0.73574%0.739SS**Hα-helixtrans-79.2-27.1-178.4-74.2-178.3176.5179.30113.7N358K354-N358 PolarHBondContact O-ND2 3.03Å
355D46.1Very low41.2Very low114 Ų114151.6 Ų151.661%0.6175%0.752SS**Hα-helixtrans-78.2-28-175.8-63.1-28.3000113L357D355-L357 PolarHBondContact O-N 3.07Å
356S48.8Very low40.6Very low73 Ų73152 Ų15251%0.5175%0.754SS.*Hα-helixtrans-71.7-28.7179.7-61.20000113.5
357L43.5Very low40Very low126 Ų126152.6 Ų152.666%0.6676%0.756SS**Hα-helixtrans-80.7-34-179.2-153.284000111.9D355 M359 W360D355-L357 PolarHBondContact O-N 3.07Å; L357-M359 VanDerWaalsContact C-N 3.29Å; L357-M359 PolarHBondContact O-N 3.09Å; L357-W360 PolarHBondContact O-N 2.9Å
358N45.1Very low40.1Very low113 Ų113150.6 Ų150.660%0.60475%0.752SS**Hα-helixtrans-70.7-22.2178.6-79-43000113.4K354K354-N358 PolarHBondContact O-ND2 3.03Å
359M45.8Very low39.5Very low151 Ų151153 Ų15374%0.74475%0.752SS**THydrogen-bonded Turntrans-72.4-27.8177.5-150.792.167.100113.1L357L357-M359 VanDerWaalsContact C-N 3.29Å; L357-M359 PolarHBondContact O-N 3.09Å
360W42.1Very low39.2Very low230 Ų230152.6 Ų152.687%0.87175%0.75SS**THydrogen-bonded Turntrans-85-23.7-176.6-85.792.1000113.7L357L357-W360 PolarHBondContact O-N 2.9Å
361L37Very low38.6Very low133 Ų133153.8 Ų153.870%0.69676%0.756SS**SBendtrans-94.9-6-172.6-67.2172.3000114
362C32.8Very low37.9Very low90 Ų90154.4 Ų154.461%0.60876%0.756SS**  trans-147.4108.5178.6-79.10000111.8R364C362-R364 PolarHBondContact O-N 3.17Å
363P29.8Very low37.2Very low133 Ų133150.4 Ų150.486%0.86476%0.756SS**  trans-73.595.4163.725.2-21.1000108K365P363-K365 PolarHBondContact O-N 3.41Å
364R37.5Very low37.2Very low229 Ų229148.4 Ų148.486%0.86476%0.757SS**  trans-69.9122.2177.1-167.3175.4-174.7-178.21.1108.9C362 E366C362-R364 PolarHBondContact O-N 3.17Å; R364-E366 PolarHBondContact O-N 3.29Å
365K33.8Very low36.3Very low195 Ų195150.4 Ų150.485%0.84877%0.766SS**  trans-65.1113.8168.2-68.9179.1179.1178.40108.4P363 V367P363-K365 PolarHBondContact O-N 3.41Å; K365-V367 PolarHBondContact O-N 2.9Å
366E32.8Very low35.8Very low184 Ų184150 Ų15086%0.8678%0.779SS**  trans-66.8109.2173.1-72.3168.7165.400109.1R364R364-E366 PolarHBondContact O-N 3.29Å
367V31.3Very low35Very low138 Ų138155.4 Ų155.484%0.83680%0.798SS**  trans-77.8117.2161.3173.60000106.4K365 E369K365-V367 PolarHBondContact O-N 2.9Å; V367-E369 PolarHBondContact O-N 3.25Å
368I36.1Very low34.5Very low149 Ų149155.6 Ų155.676%0.76481%0.805SS**  trans-64114.5174.2-62165.4000107.9
369E30.3Very low34Very low183 Ų183155.1 Ų155.186%0.85581%0.808SS**  trans-135105149.8-152.2171.8-169.500108.8V367V367-E369 PolarHBondContact O-N 3.25Å
370Q31.6Very low33.6Very low168 Ų168151.8 Ų151.879%0.78580%0.799SS**  trans-66.2129.8170.7-69.3-176.1-300109.1
371T28.4Very low33.8Very low122 Ų122151.7 Ų151.775%0.74880%0.799SS**  -164122.9129.25.60000113.4
372K30.8Very low34.4Very low202 Ų202151 Ų15188%0.87879%0.794SS**  trans75.5113.5150.9-62.3176.1-177.4178.20119.3
373A29.7Very low34.9Very low95 Ų95149.5 Ų149.579%0.78579%0.789SS**  trans-116.8177.3156.600000108.8
374P41.9Very low35.5Very low119 Ų119147.6 Ų147.677%0.77377%0.771SS**  cis-134.1165.3-9.932.8-13.5000114
375K28.4Very low36.1Very low211 Ų211140.1 Ų140.192%0.91775%0.754SS**  trans-128.7127.3145.3-94.2-175.7179.5177.40109.1
376A34.9Very low36.9Very low107 Ų107137.4 Ų137.488%0.88474%0.742SS**  trans-65.1133.6-173.600000112.2
377M31.1Very low37.8Very low186 Ų186134.1 Ų134.192%0.91673%0.727SS**  trans-144.1136.5161.7-151159.4159.700108.4
378T33.2Very low38.7Very low130 Ų130132.3 Ų132.380%0.79872%0.716SS**PPolyproline II helixtrans-49.4133-164.1-13.80000114.3S380T378-S380 PolarHBondContact O-N 3.03Å
379P34Very low39.7Very low103 Ų103129 Ų12967%0.66970%0.699SS**PPolyproline II helixtrans-70.3130.8176.627.2-30.7000111
380S38.2Very low40.7Very low80 Ų80128.6 Ų128.656%0.55969%0.694SS**PPolyproline II helixtrans-68.9132.4172.3173.60000110.4T378 I382 A383T378-S380 PolarHBondContact O-N 3.03Å; S380-I382 PolarHBondContact O-N 3.4Å; S380-A383 PolarHBondContact O-N 3.47Å
381R46.7Very low41.9Very low229 Ų229126.7 Ų126.786%0.86469%0.69SS**THydrogen-bonded Turntrans-54.4-2.5-178-79.7-178.2175.6175.9-1.7116.4
382I49.1Very low43.3Very low117 Ų117122.2 Ų122.260%0.666%0.664SS**THydrogen-bonded Turntrans-90.4-29.7-178.2-56.3172.1000111.1S380 D384 S385 F386S380-I382 PolarHBondContact O-N 3.4Å; I382-D384 VanDerWaalsContact C-N 3.34Å; I382-D384 PolarHBondContact O-N 3Å; I382-S385 PolarHBondContact O-N 3.18Å; I382-F386 HydrophobicContact CG2-CE2 4.14Å; I382-F386 WeakPolarHBondContact O-CD2 3.49Å
383A42.7Very low44.8Very low60 Ų60116.3 Ų116.350%0.49665%0.646SS.*Hα-helixtrans-70.3-30.9-179.400000112.9S380 S385S380-A383 PolarHBondContact O-N 3.47Å; A383-S385 VanDerWaalsContact C-N 3.34Å; A383-S385 PolarHBondContact O-N 3.41Å
384D42.9Very low45.4Very low93 Ų93118.9 Ų118.950%0.49765%0.646SS.*Hα-helixtrans-70.2-31.4179.3-64.3-29.4000112.1I382 F386 Q387 V388I382-D384 VanDerWaalsContact C-N 3.34Å; I382-D384 PolarHBondContact O-N 3Å; D384-F386 VanDerWaalsContact C-N 3.34Å; D384-F386 PolarHBondContact O-N 3.2Å; D384-Q387 PolarHBondContact O-N 2.61Å; D384-V388 VanDerWaalsContact O-CG2 3.27Å; D384-V388 WeakPolarHBondContact O-CG2 3.35Å; D384-V388 PolarHBondContact O-N 2.94Å
385S51.2Low46Very low71 Ų71117.4 Ų117.450%0.49764%0.638SS.*Hα-helixtrans-64.9-37.2-178.5-158.60000112.5I382 A383 I389I382-S385 PolarHBondContact O-N 3.18Å; A383-S385 VanDerWaalsContact C-N 3.34Å; A383-S385 PolarHBondContact O-N 3.41Å; S385-I389 WeakPolarHBondContact O-CG1 3.38Å; S385-I389 PolarHBondContact O-N 2.84Å
386F48.9Very low47.1Very low139 Ų139113.5 Ų113.561%0.6162%0.623SS**Hα-helixtrans-79.1-25.7178.8-69.8-78000113.3I382 D384 K390I382-F386 HydrophobicContact CG2-CE2 4.14Å; I382-F386 WeakPolarHBondContact O-CD2 3.49Å; D384-F386 VanDerWaalsContact C-N 3.34Å; D384-F386 PolarHBondContact O-N 3.2Å; F386-K390 PolarHBondContact O-N 3.43Å
387Q52.1Low47.7Very low114 Ų114115.8 Ų115.853%0.53361%0.609SS.*Hα-helixtrans-74.9-33.1172.5-68.9-69.7-300111.7D384 K390 N391D384-Q387 PolarHBondContact O-N 2.61Å; Q387-K390 PolarHBondContact O-N 3.37Å; Q387-N391 PolarHBondContact O-N 3.18Å; Q387-N391 PolarHBondContact O-ND2 3.06Å
388V51.5Low48.2Very low101 Ų101113.9 Ų113.961%0.61260%0.602SS**Hα-helixtrans-67.7-38.8174.1172.40000111.2D384 K390 N391 S392D384-V388 VanDerWaalsContact O-CG2 3.27Å; D384-V388 WeakPolarHBondContact O-CG2 3.35Å; D384-V388 PolarHBondContact O-N 2.94Å; V388-K390 PolarHBondContact O-N 3.4Å; V388-N391 PolarHBondContact O-N 3.04Å; V388-S392 PolarHBondContact O-N 3.01Å
389I55.2Low48.7Very low80 Ų80114.4 Ų114.441%0.4160%0.598SS.*Hα-helixtrans-65.4-36.2175.6-72.9165.8000112.5S385 N391 S392 W397S385-I389 WeakPolarHBondContact O-CG1 3.38Å; S385-I389 PolarHBondContact O-N 2.84Å; I389-N391 VanDerWaalsContact C-N 3.3Å; I389-N391 PolarHBondContact O-N 3.2Å; I389-S392 PolarHBondContact O-OG 3.45Å; I389-W397 HydrophobicContact CB-CZ2 4.39Å; I389-W397 HydrophobicContact CG1-CH2 4.41Å; I389-W397 HydrophobicContact CG1-CZ2 4.23Å; I389-W397 HydrophobicContact CG2-CH2 4.15Å; I389-W397 HydrophobicContact CG2-CZ2 3.82Å
390K53.2Low49Very low173 Ų173120.1 Ų120.175%0.75261%0.606SS**Hα-helixtrans-72.1-23.1178.8-96.3-175.2169.1-1790113.9F386 Q387 V388F386-K390 PolarHBondContact O-N 3.43Å; Q387-K390 PolarHBondContact O-N 3.37Å; V388-K390 PolarHBondContact O-N 3.4Å
391N56.2Low48.8Very low128 Ų128121.5 Ų121.568%0.68461%0.613SS**Hα-helixtrans-109.61-173.1-64.4-47.6000113.4Q387 V388 I389Q387-N391 PolarHBondContact O-N 3.18Å; Q387-N391 PolarHBondContact O-ND2 3.06Å; V388-N391 PolarHBondContact O-N 3.04Å; I389-N391 VanDerWaalsContact C-N 3.3Å; I389-N391 PolarHBondContact O-N 3.2Å
392S57.1Low48.4Very low29 Ų29116.1 Ų116.120%0.20361%0.608CS.*SBendtrans-84.6130175.855.90000111.5V388 I389 E396 W397V388-S392 PolarHBondContact O-N 3.01Å; I389-S392 PolarHBondContact O-OG 3.45Å; S392-E396 WeakPolarHBondContact CB-OE2 3.35Å; S392-W397 PolarHBondContact OG-NE1 2.7Å; S392-W397 VanDerWaalsContact OG-NE1 3.12Å
393P62Low47.4Very low78 Ų78119.8 Ų119.851%0.50662%0.616SS.*  trans-66.2144.2174.926-31000110.7S395 E396P393-S395 PolarHBondContact O-N 2.9Å; P393-E396 PolarHBondContact O-N 2.92Å
394L42.8Very low47Very low149 Ų149126.3 Ų126.378%0.7863%0.633SS**G310 helixtrans-50.6-20.8-178-96.9145.7000115E396 W397L394-E396 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 3.25Å; L394-W397 PolarHBondContact O-N 2.64Å
395S54.5Low46.4Very low87 Ų87129.6 Ų129.661%0.60865%0.645SS**G310 helixtrans-67-25.5175.752.10000114.5P393 W397P393-S395 PolarHBondContact O-N 2.9Å; S395-W397 VanDerWaalsContact C-N 3.33Å
396E52.6Low45.4Very low130 Ų130129.2 Ų129.261%0.60765%0.653SS**G310 helixtrans-78.2-18.1175.4-86.5-177.4148.400113.2S392 P393 L394 L398 I399S392-E396 WeakPolarHBondContact CB-OE2 3.35Å; P393-E396 PolarHBondContact O-N 2.92Å; L394-E396 VanDerWaalsContact C-N 3.33Å; L394-E396 PolarHBondContact O-N 3.25Å; E396-L398 VanDerWaalsContact C-N 3.35Å; E396-I399 WeakPolarHBondContact O-CG1 3.4Å
397W46.2Very low44.4Very low154 Ų154127.9 Ų127.958%0.58366%0.661SS**THydrogen-bonded Turntrans-80.5-19.5176.9-68.779.2000112.6I389 S392 L394 S395 I399I389-W397 HydrophobicContact CB-CZ2 4.39Å; I389-W397 HydrophobicContact CG1-CH2 4.41Å; I389-W397 HydrophobicContact CG1-CZ2 4.23Å; I389-W397 HydrophobicContact CG2-CH2 4.15Å; I389-W397 HydrophobicContact CG2-CZ2 3.82Å; S392-W397 PolarHBondContact OG-NE1 2.7Å; S392-W397 VanDerWaalsContact OG-NE1 3.12Å; L394-W397 PolarHBondContact O-N 2.64Å; S395-W397 VanDerWaalsContact C-N 3.33Å; W397-I399 VanDerWaalsContact C-N 3.27Å; W397-I399 PolarHBondContact O-N 2.98Å; W397-I399 VanDerWaalsContact O-N 3.14Å
398L42Very low43.5Very low147 Ų147128.3 Ų128.377%0.7767%0.673SS**  trans-87.366.4172.8-65175.1000109.9E396 R400E396-L398 VanDerWaalsContact C-N 3.35Å; L398-R400 PolarHBondContact O-N 3.5Å
399I42.9Very low42.6Very low140 Ų140133.2 Ų133.272%0.71869%0.686SS**  trans-70.499.3171.7-58.3-179.3000108.4E396 W397E396-I399 WeakPolarHBondContact O-CG1 3.4Å; W397-I399 VanDerWaalsContact C-N 3.27Å; W397-I399 PolarHBondContact O-N 2.98Å; W397-I399 VanDerWaalsContact O-N 3.14Å
400R40.8Very low41.3Very low224 Ų224138 Ų13885%0.84571%0.707SS**  trans-57.2130.2155.8-162.9-179.3-151.4176.45.6107.4L398L398-R400 PolarHBondContact O-N 3.5Å
401P34.5Very low40.4Very low108 Ų108135.9 Ų135.970%0.70171%0.708SS**  trans-59.3135.7174.823.8-30.8000108.5Y403P401-Y403 PolarHBondContact O-N 3.3Å
402P37.1Very low39.4Very low116 Ų116135.4 Ų135.475%0.75371%0.712SS**  trans-64.9113.2177.625.5-31000107.9K404P402-K404 PolarHBondContact O-N 2.98Å; P402-K404 VanDerWaalsContact O-N 3.12Å
403Y29.6Very low37.8Very low194 Ų194137.3 Ų137.376%0.76174%0.736SS**  trans-54117162.8-177.1-103.1000106.8P401 E405P401-Y403 PolarHBondContact O-N 3.3Å; Y403-E405 HydrophobicContact CD1-CB 4.01Å; Y403-E405 HydrophobicContact CE1-CB 4.27Å; Y403-E405 PolarHBondContact O-N 3.13Å
404K32.9Very low36.3Very low197 Ų197140.3 Ų140.386%0.85775%0.754SS**  trans-67.686.4168.8-77.2-82.1-175.5178.90106.6P402 G406P402-K404 PolarHBondContact O-N 2.98Å; P402-K404 VanDerWaalsContact O-N 3.12Å; K404-G406 VanDerWaalsContact C-N 3.29Å; K404-G406 PolarHBondContact O-N 3.29Å
405E31.8Very low35.7Very low162 Ų162141.8 Ų141.876%0.75776%0.756SS**  trans-67.894.1166.3-165.9131.9-15300107.1Y403 S407Y403-E405 HydrophobicContact CD1-CB 4.01Å; Y403-E405 HydrophobicContact CE1-CB 4.27Å; Y403-E405 PolarHBondContact O-N 3.13Å; E405-S407 PolarHBondContact O-N 3.28Å; E405-S407 VanDerWaalsContact O-N 3.09Å
406G30.1Very low34.4Very low64 Ų64144.8 Ų144.866%0.6677%0.766SS**  trans-64.8105.6168.600000107.8K404 P408K404-G406 VanDerWaalsContact C-N 3.29Å; K404-G406 PolarHBondContact O-N 3.29Å; G406-P408 VanDerWaalsContact O-CD 3.23Å; G406-P408 WeakPolarHBondContact O-CD 3.17Å
407S26.5Very low33.5Very low111 Ų111149.4 Ų149.478%0.77678%0.778SS**PPolyproline II helixtrans-55.4126.5169.456.60000111.1E405E405-S407 PolarHBondContact O-N 3.28Å; E405-S407 VanDerWaalsContact O-N 3.09Å
408P34.1Very low32.7Very low122 Ų122147.1 Ų147.179%0.79279%0.792SS**PPolyproline II helixtrans-97.3126.8153.31.820.3000108.4G406G406-P408 VanDerWaalsContact O-CD 3.23Å; G406-P408 WeakPolarHBondContact O-CD 3.17Å
409K33.1Very low32.1Very low204 Ų204143.9 Ų143.989%0.88779%0.793SS**PPolyproline II helixtrans-52.1138.2171.4-72.6173171.4176.80111.1
410E28.2Very low31.8Very low181 Ų181147.4 Ų147.485%0.84680%0.803SS**PPolyproline II helixtrans-53.8150.2155-64.1178.4134.700109.1
411V32.3Very low31.5Very low129 Ų129144.9 Ų144.978%0.78280%0.801SS**  -176.717568.8-171.40000106
412P36.6Very low31.4Very low117 Ų117149.3 Ų149.376%0.7681%0.809SS**  -123.5173.2-60.840.4-25.3000114.7
413G24.1Very low31Very low69 Ų69152.4 Ų152.471%0.71181%0.811SS**  trans74.2126.8150.900000116.7
414T30.2Very low30.9Very low142 Ų142152.5 Ų152.587%0.87182%0.816SS**  -171.8159.269.8-14.30000109.5
415E29.9Very low31Very low179 Ų179148.2 Ų148.284%0.83681%0.81SS**  trans-39.9149.3-179.8-67.8162.9130.100117.3
416D27.6Very low31.2Very low150 Ų150146 Ų14680%0.80281%0.81SS**  179.8164.891.6-147-8.1000113.2
417R32.7Very low31.4Very low228 Ų228151.5 Ų151.586%0.8682%0.821SS**  trans-64.1159.2-159.7-77.9169.1159.6-168.7-2120.6
418A30.1Very low31.6Very low106 Ų106153.4 Ų153.488%0.87682%0.822SS**  trans76.6130.4133.700000121
419G28.2Very low31.9Very low78 Ų78153.4 Ų153.480%0.80482%0.82SS**  trans152.488.7154.900000114.1Q421G419-Q421 PolarHBondContact O-N 3.05Å
420K37.9Very low32Very low215 Ų215148.8 Ų148.894%0.93581%0.813SS**  trans-66.3125.4160.9-72.9-146179.3-164.30109.1
421Q33.6Very low32.2Very low170 Ų170150.8 Ų150.879%0.79481%0.814SS**  trans-143.7128.1151.1-104.7-173-9.800111.4G419G419-Q421 PolarHBondContact O-N 3.05Å
422K32.8Very low32.2Very low201 Ų201150.2 Ų150.287%0.87481%0.814SS**  trans-70.6134.8168.4-66.1176.7174.8-178.60108.6
423F28.4Very low31.9Very low182 Ų182150.1 Ų150.180%0.79882%0.816SS**  trans-136.4145.2152.2-91.8-80.3000111.4
424K28.1Very low32.4Very low195 Ų195155.6 Ų155.685%0.84882%0.821SS**  trans-66.8149.1-162.7-60.2167.2175.2179.50112.2
425S34.4Very low32.9Very low107 Ų107153.6 Ų153.675%0.74880%0.804SS**  trans-63.8156157.167.40000109.7
426P36.6Very low33.5Very low115 Ų115150.6 Ų150.675%0.74780%0.799SS**  -142154.593.225.3-5.3000114.4N428P426-N428 PolarHBondContact O-N 3.26Å
427M35Very low34.3Very low180 Ų180146.4 Ų146.489%0.88779%0.785SS**  trans-29.8120.9156.2-99.267.6170.900111.2
428N30.7Very low34.8Very low152 Ų152142 Ų14281%0.81378%0.779SS**  trans-131.2109.4155.3-119.6-5.1000107.6P426 S430P426-N428 PolarHBondContact O-N 3.26Å; N428-S430 PolarHBondContact O-N 3.37Å; N428-S430 VanDerWaalsContact O-N 3.14Å
429T40.2Very low35.4Very low121 Ų121147.7 Ų147.774%0.74278%0.777SS**  trans-48.7107.9158.7440000109
430S35Very low36Very low107 Ų107149.3 Ų149.375%0.74877%0.771SS**  trans-112.189.4162.364.30000108N428 C432N428-S430 PolarHBondContact O-N 3.37Å; N428-S430 VanDerWaalsContact O-N 3.14Å; S430-C432 PolarHBondContact O-N 2.91Å
431W31.8Very low36.2Very low224 Ų224146.4 Ų146.485%0.84877%0.765SS**  trans-41.6119.2150.5-7373.8000108.2S433W431-S433 PolarHBondContact O-N 3.19Å; W431-S433 VanDerWaalsContact O-N 3.14Å
432C33.1Very low36.3Very low117 Ų117144.4 Ų144.479%0.79177%0.767SS**PPolyproline II helixtrans-63.2118.4168.9-84.50000107.6S430 F434S430-C432 PolarHBondContact O-N 2.91Å; C432-F434 PolarHBondContact O-N 3.15Å
433S30Very low36.5Very low114 Ų114138.4 Ų138.480%0.79776%0.762SS**PPolyproline II helixtrans-54.9120.4169.2260000109.3W431 N435W431-S433 PolarHBondContact O-N 3.19Å; W431-S433 VanDerWaalsContact O-N 3.14Å; S433-N435 PolarHBondContact O-N 3.25Å
434F34.1Very low37.2Very low185 Ų185138.7 Ų138.781%0.81176%0.763SS**PPolyproline II helixtrans-57.2120.9170.9-73.9-86.5000109C432 T436C432-F434 PolarHBondContact O-N 3.15Å; F434-T436 PolarHBondContact O-N 2.6Å
435N41Very low37.4Very low99 Ų99138.3 Ų138.353%0.52976%0.762SS.*  trans-79.4112.9176.9-170.6-15.6000109S433 A437 D438S433-N435 PolarHBondContact O-N 3.25Å; N435-A437 PolarHBondContact O-N 3.35Å; N435-A437 VanDerWaalsContact O-N 3.12Å; N435-A437 WeakPolarHBondContact OD1-CB 3.27Å; N435-A437 PolarHBondContact OD1-N 2.88Å; N435-D438 PolarHBondContact O-N 3.07Å
436T41.8Very low37.5Very low117 Ų117142.1 Ų142.172%0.71877%0.77SS**G310 helixtrans-65.5-11.5179.4-21.70000113.1F434 D438F434-T436 PolarHBondContact O-N 2.6Å; T436-D438 VanDerWaalsContact C-N 3.32Å
437A43.9Very low37.2Very low62 Ų62139.3 Ų139.351%0.51276%0.762SS.*G310 helixtrans-74.2-19.5178.200000113.8N435 W439N435-A437 PolarHBondContact O-N 3.35Å; N435-A437 VanDerWaalsContact O-N 3.12Å; N435-A437 WeakPolarHBondContact OD1-CB 3.27Å; N435-A437 PolarHBondContact OD1-N 2.88Å; A437-W439 PolarHBondContact O-N 3.38Å
438D44.3Very low37.4Very low136 Ų136137.8 Ų137.873%0.72776%0.757SS**G310 helixtrans-79.2-6.2178.5-63.6-31.6000112.7N435 T436N435-D438 PolarHBondContact O-N 3.07Å; T436-D438 VanDerWaalsContact C-N 3.32Å
439W41.9Very low37.4Very low224 Ų224136.2 Ų136.285%0.84875%0.748SS**G310 helixtrans-1031.9177.6-68.886.7000113.9A437A437-W439 PolarHBondContact O-N 3.38Å
440V41.6Very low37.2Very low112 Ų112135.3 Ų135.368%0.67975%0.747SS**SBendtrans-98.4113.8177.9-172.10000109.2
441L42Very low37.6Very low154 Ų154138.8 Ų138.881%0.80675%0.751SS**  trans-50.1142.7172.2-73.7165.9000110.9G443L441-G443 PolarHBondContact O-N 3.02Å
442P35Very low37.6Very low129 Ų129134 Ų13484%0.83874%0.742SS**  trans-61.8106.4178.7-1728.4000110.7K444P442-K444 PolarHBondContact O-N 3.48Å
443G37.9Very low37.6Very low75 Ų75133.5 Ų133.577%0.77374%0.74SS**  trans-74.2102.4171.600000110.7L441L441-G443 PolarHBondContact O-N 3.02Å
444K43.3Very low38.3Very low188 Ų188134.1 Ų134.182%0.81774%0.744SS**  trans-176.6111.1146-123.8173.8179.9173.60113.9P442P442-K444 PolarHBondContact O-N 3.48Å
445K32.1Very low39Very low187 Ų187128.7 Ų128.781%0.81374%0.74SS**  165.5106.5100.4-84.9-175.8-171.3-178.80109.2G447K445-G447 PolarHBondContact O-N 3.25Å
446M36.7Very low39.1Very low186 Ų186130.1 Ų130.192%0.91674%0.743SS**  trans-63.998.1169-171.176.1-177.600109
447G30.5Very low40Very low56 Ų56129.9 Ų129.958%0.57774%0.738SS**  trans-86.7133.3158.700000108.5K445 L449K445-G447 PolarHBondContact O-N 3.25Å; G447-L449 PolarHBondContact O-N 3.46Å
448N37.7Very low41.4Very low148 Ų148134.9 Ų134.979%0.79175%0.748SS**  trans-46.5118.3177.8-115.9-53.1000111.5S450N448-S450 PolarHBondContact OD1-OG 3.5Å
449L32.3Very low41.8Very low119 Ų119136 Ų13662%0.62374%0.742SS**  trans-136.245.7169.9-128.5145000109.7G447 Q451 L452G447-L449 PolarHBondContact O-N 3.46Å; L449-Q451 PolarHBondContact O-N 3.37Å; L449-L452 HydrophobicContact CD2-CB 4.46Å; L449-L452 HydrophobicContact CD2-CD1 3.43Å; L449-L452 VanDerWaalsContact CD2-CD1 3.43Å; L449-L452 HydrophobicContact CD2-CG 3.51Å
450S34.7Very low42.4Very low102 Ų102130.2 Ų130.271%0.71373%0.727SS**  trans-75.552.8158.447.30000110.1N448N448-S450 PolarHBondContact OD1-OG 3.5Å
451Q43.4Very low43.2Very low181 Ų181129.9 Ų129.985%0.84672%0.721SS**  trans-162.960.7169-135.4176.60.900111.6L449L449-Q451 PolarHBondContact O-N 3.37Å
452L31.5Very low43.9Very low123 Ų123131.8 Ų131.864%0.64472%0.718SS**  trans-116.4112156.1-79.6168.2000108.3L449L449-L452 HydrophobicContact CD2-CB 4.46Å; L449-L452 HydrophobicContact CD2-CD1 3.43Å; L449-L452 VanDerWaalsContact CD2-CD1 3.43Å; L449-L452 HydrophobicContact CD2-CG 3.51Å
453S34.4Very low45.3Very low107 Ų107131 Ų13175%0.74870%0.701SS**  trans-54.1135.9177.7176.70000111.1G455S453-G455 PolarHBondContact O-N 3.49Å
454S44.7Very low46.4Very low126 Ų126134.1 Ų134.188%0.88169%0.693SS**SBendtrans-49.3106.6164.2179.50000110.2
455G47.4Very low47Very low72 Ų72128 Ų12874%0.74268%0.678SS**  trans162.424.3179.600000116.5S453S453-G455 PolarHBondContact O-N 3.49Å
456E44.9Very low47.9Very low128 Ų128124.6 Ų124.660%0.59867%0.665SS**  trans-90.6125.1176.5-68.3179.9160.400110.8K458E456-K458 PolarHBondContact O-N 3.37Å
457D60.5Low48.4Very low112 Ų112121.4 Ų121.460%0.59965%0.648SS**  trans-67.7115.4-171.5-160.9-9.7000110.9W459 L460D457-W459 PolarHBondContact O-N 3.4Å; D457-L460 WeakPolarHBondContact O-CB 3.38Å; D457-L460 PolarHBondContact O-N 3.44Å
458K72.6Confident49.4Very low167 Ų167124.2 Ų124.273%0.72665%0.653SS**Hα-helixtrans-58-21.4-174-65.7179.8-178.8176.90112.8E456 R462E456-K458 PolarHBondContact O-N 3.37Å; K458-R462 PolarHBondContact O-N 3.38Å
459W52.6Low49.8Very low161 Ų161124.2 Ų124.261%0.6165%0.653SS**Hα-helixtrans-69.1-39.3174.6-178.181.1000112.7D457 L461 R462 K463D457-W459 PolarHBondContact O-N 3.4Å; W459-L461 VanDerWaalsContact C-N 3.31Å; W459-L461 PolarHBondContact O-N 3.33Å; W459-R462 PolarHBondContact O-N 3.24Å; W459-K463 HydrophobicContact CH2-CG 4.32Å; W459-K463 HydrophobicContact CZ2-CG 4.12Å; W459-K463 PolarHBondContact O-N 3.43Å
460L54.7Low50.5Low101 Ų101125 Ų12553%0.52966%0.657SS.*Hα-helixtrans-66.5-35.3-179-141.684.8000111.7D457 K463 K464D457-L460 WeakPolarHBondContact O-CB 3.38Å; D457-L460 PolarHBondContact O-N 3.44Å; L460-K463 PolarHBondContact O-N 2.74Å; L460-K464 PolarHBondContact O-N 3.34Å
461L58.9Low50.9Low106 Ų106125.9 Ų125.956%0.55565%0.653SS**Hα-helixtrans-67.2-38.9176.1-71.7167000112.1W459 A465W459-L461 VanDerWaalsContact C-N 3.31Å; W459-L461 PolarHBondContact O-N 3.33Å; L461-A465 PolarHBondContact O-N 2.87Å; L461-A465 VanDerWaalsContact O-N 3.07Å
462R56.2Low50.4Low193 Ų193121.6 Ų121.673%0.72864%0.643SS**Hα-helixtrans-67.9-39.4174.5-70.3-177.7-172177.82.1111.8K458 W459 A465 Q466K458-R462 PolarHBondContact O-N 3.38Å; W459-R462 PolarHBondContact O-N 3.24Å; R462-A465 PolarHBondContact O-N 3Å; R462-Q466 WeakPolarHBondContact O-CB 3.33Å; R462-Q466 PolarHBondContact O-N 2.98Å
463K64.3Low50.8Low114 Ų114121.7 Ų121.750%0.49665%0.651SS.*Hα-helixtrans-63.5-43.9176.4-106.3-70.5-177.4-179.90112.1W459 L460 Q466 E467W459-K463 HydrophobicContact CH2-CG 4.32Å; W459-K463 HydrophobicContact CZ2-CG 4.12Å; W459-K463 PolarHBondContact O-N 3.43Å; L460-K463 PolarHBondContact O-N 2.74Å; K463-Q466 PolarHBondContact O-N 2.94Å; K463-E467 PolarHBondContact O-N 3.41Å
464K62Low50.9Low139 Ų139123.9 Ų123.960%0.60465%0.654SS**Hα-helixtrans-63.4-39.7174.6-90.9-175.8172.3178.70113.1L460 Q466 E467 V468L460-K464 PolarHBondContact O-N 3.34Å; K464-Q466 VanDerWaalsContact C-N 3.32Å; K464-Q466 PolarHBondContact O-N 3.02Å; K464-E467 PolarHBondContact O-N 3.49Å; K464-V468 WeakPolarHBondContact O-CG2 3.33Å; K464-V468 PolarHBondContact O-N 3.46Å
465A54Low50.6Low59 Ų59126.9 Ų126.949%0.48865%0.654SS.*Hα-helixtrans-65.4-36.1176.600000112.5L461 R462 L469L461-A465 PolarHBondContact O-N 2.87Å; L461-A465 VanDerWaalsContact O-N 3.07Å; R462-A465 PolarHBondContact O-N 3Å; A465-L469 PolarHBondContact O-N 3.21Å
466Q52.2Low50Low116 Ų116130.6 Ų130.654%0.54265%0.652SS.*Hα-helixtrans-73.5-31.3178-162.2167.516.900112.7R462 K463 K464 L469 L470R462-Q466 WeakPolarHBondContact O-CB 3.33Å; R462-Q466 PolarHBondContact O-N 2.98Å; K463-Q466 PolarHBondContact O-N 2.94Å; K464-Q466 VanDerWaalsContact C-N 3.32Å; K464-Q466 PolarHBondContact O-N 3.02Å; Q466-L469 PolarHBondContact O-N 3.45Å; Q466-L470 HydrophobicContact CG-CD1 4.43Å; Q466-L470 PolarHBondContact O-N 3.02Å
467E47.9Very low49.7Very low120 Ų120132.2 Ų132.256%0.56166%0.66SS**Hα-helixtrans-72.9-29.6177-147.4170.8-152.700112.7K463 K464 N471K463-E467 PolarHBondContact O-N 3.41Å; K464-E467 PolarHBondContact O-N 3.49Å; E467-N471 PolarHBondContact O-N 3.36Å; E467-N471 PolarHBondContact O-ND2 3.1Å
468V49.6Very low48.4Very low115 Ų115133.2 Ų133.270%0.69766%0.66SS**Hα-helixtrans-74.7-29.9174.9172.30000112.1K464K464-V468 WeakPolarHBondContact O-CG2 3.33Å; K464-V468 PolarHBondContact O-N 3.46Å
469L47.4Very low46.6Very low148 Ų148131.7 Ų131.778%0.77566%0.66SS**Hα-helixtrans-76.9-23175.5-80.5163.4000113.6A465 Q466A465-L469 PolarHBondContact O-N 3.21Å; Q466-L469 PolarHBondContact O-N 3.45Å
470L45.8Very low45.7Very low135 Ų135132.4 Ų132.471%0.70767%0.668SS**Hα-helixtrans-96.6-10.6-177.5-72.3168.3000114.2Q466Q466-L470 HydrophobicContact CG-CD1 4.43Å; Q466-L470 PolarHBondContact O-N 3.02Å
471N43.1Very low44.8Very low121 Ų121132.9 Ų132.965%0.64768%0.677SS**  trans-12047.9180-65.8-63.3000112.3E467E467-N471 PolarHBondContact O-N 3.36Å; E467-N471 PolarHBondContact O-ND2 3.1Å
472S32.9Very low44.1Very low90 Ų90133.9 Ų133.963%0.62969%0.69SS**  trans-87.2125.4165.3-148.70000108.9L474S472-L474 PolarHBondContact O-N 3.19Å
473P41.7Very low43.6Very low125 Ų125130.9 Ų130.981%0.81269%0.688SS**  trans-84.469.9-179.135.4-32.2000109.3
474L34.9Very low42.4Very low153 Ų153132.2 Ų132.280%0.80170%0.696SS**  trans-123.785.3162.4-85.6167.1000107S472 E476S472-L474 PolarHBondContact O-N 3.19Å; L474-E476 VanDerWaalsContact C-N 3.25Å; L474-E476 PolarHBondContact O-N 2.89Å
475Q38.2Very low41.3Very low189 Ų189136.4 Ų136.488%0.88371%0.709SS**  trans-72.388.6164.9-161.6177.714.800106.5E477Q475-E477 PolarHBondContact O-N 3.05Å
476E34.7Very low40.4Very low150 Ų150137.3 Ų137.370%0.70172%0.724SS**  trans-76.7100.2171.3-161.2162.3-167.100107.6L474 H478L474-E476 VanDerWaalsContact C-N 3.25Å; L474-E476 PolarHBondContact O-N 2.89Å; E476-H478 PolarHBondContact O-N 2.77Å; E476-H478 IonicContact OE1-CE1 3.67Å; E476-H478 IonicContact OE1-NE2 3.95Å
477E40Very low39.6Very low163 Ų163139.7 Ų139.776%0.76274%0.74SS**  trans-62.297.1168.2-85.3-165.6148.500109.2Q475 N479Q475-E477 PolarHBondContact O-N 3.05Å; E477-N479 PolarHBondContact O-N 3.03Å
478H31.8Very low39.2Very low133 Ų133139.3 Ų139.362%0.61675%0.748SS**  trans-89.5101.1163.3-76.5-41.4000110.3E476 F480E476-H478 PolarHBondContact O-N 2.77Å; E476-H478 IonicContact OE1-CE1 3.67Å; E476-H478 IonicContact OE1-NE2 3.95Å; H478-F480 PolarHBondContact O-N 3.3Å
479N36.4Very low39.2Very low134 Ų134138 Ų13872%0.71775%0.75SS**  trans-7585.1160.8-78.7-75.8000109.5E477E477-N479 PolarHBondContact O-N 3.03Å
480F33.8Very low39.1Very low177 Ų177137.9 Ų137.978%0.77675%0.754SS**  trans-145.2148.2165.6-73.6-71.9000111.2H478H478-F480 PolarHBondContact O-N 3.3Å
481P35.9Very low38.9Very low111 Ų111135.5 Ų135.572%0.72175%0.748SS**  trans-68.9147.7-175.227.8-32.5000111.7D483P481-D483 VanDerWaalsContact C-N 3.31Å; P481-D483 PolarHBondContact O-N 2.9Å
482P44Very low39.1Very low126 Ų126134.9 Ų134.982%0.81875%0.745SS**SBendtrans-8477.8-173.934.8-32.1000109.3
483D45.1Very low39.9Very low130 Ų130137.7 Ų137.770%0.69575%0.752SS**  trans-154.1123.8159.3-100.8-32.3000110.6P481P481-D483 VanDerWaalsContact C-N 3.31Å; P481-D483 PolarHBondContact O-N 2.9Å
484H39.5Very low40.2Very low142 Ų142139.2 Ų139.266%0.65775%0.746SS**SBendtrans95.2125.8165.8-43.9-47.2000117.3
485Y37.5Very low41Very low227 Ų227135.7 Ų135.789%0.8974%0.739SS**  trans89.666.7164-44.2-71000118.3
486G36.2Very low41.4Very low78 Ų78131 Ų13180%0.80473%0.726SS**  trans-91.6120.1145.900000109.7
487L36Very low41.8Very low166 Ų166128.9 Ų128.987%0.86972%0.717SS**  trans-58.3147.1168.7-73.5164.6000110A489L487-A489 PolarHBondContact O-N 3.31Å
488P38.8Very low42.3Very low112 Ų112129.2 Ų129.273%0.72772%0.719SS**  trans-71.2104.4-171.526.7-30000109.9V490P488-V490 PolarHBondContact O-N 3.35Å
489A49.4Very low43.1Very low89 Ų89128.7 Ų128.774%0.73672%0.72SS**  trans-52.2130.4156.100000107.1L487 C491L487-A489 PolarHBondContact O-N 3.31Å; A489-C491 PolarHBondContact O-N 3.42Å
490V44.6Very low43.7Very low144 Ų144131.7 Ų131.787%0.87373%0.727SS**  trans-33114.3-179.7-174.80000109.3P488 D492P488-V490 PolarHBondContact O-N 3.35Å; V490-D492 VanDerWaalsContact C-N 3.34Å; V490-D492 PolarHBondContact O-N 3.47Å
491C43.4Very low44.8Very low86 Ų86127.5 Ų127.558%0.58172%0.715SS**  trans-58.2101.4179.5-75.40000107.8A489 L493A489-C491 PolarHBondContact O-N 3.42Å; C491-L493 PolarHBondContact O-N 3.41Å
492D45.6Very low45.2Very low108 Ų108126.2 Ų126.258%0.57870%0.702SS**  trans-57.7113.7165.1-158-4.4000105.3V490 F494 A495V490-D492 VanDerWaalsContact C-N 3.34Å; V490-D492 PolarHBondContact O-N 3.47Å; D492-F494 PolarHBondContact O-N 3.1Å; D492-A495 HydrophobicContact CB-CB 4.09Å; D492-A495 WeakPolarHBondContact O-CB 3.45Å; D492-A495 PolarHBondContact O-N 3.19Å
493L49.5Very low45.8Very low149 Ų149128.9 Ų128.978%0.7870%0.701SS**THydrogen-bonded Turntrans-56.9-20.9-169.6-151.978.7000111.1C491C491-L493 PolarHBondContact O-N 3.41Å
494F48.9Very low46.3Very low157 Ų157129.7 Ų129.769%0.68970%0.701SS**THydrogen-bonded Turntrans-81.9-27.9175-65.7-80.8000114.6D492 C496 M497D492-F494 PolarHBondContact O-N 3.1Å; F494-C496 VanDerWaalsContact C-N 3.33Å; F494-M497 PolarHBondContact O-N 2.88Å
495A51.9Low47Very low78 Ų78129.2 Ų129.265%0.64570%0.697SS**THydrogen-bonded Turntrans-72.4-28.1178.100000112.5D492 M497D492-A495 HydrophobicContact CB-CB 4.09Å; D492-A495 WeakPolarHBondContact O-CB 3.45Å; D492-A495 PolarHBondContact O-N 3.19Å; A495-M497 VanDerWaalsContact C-N 3.31Å
496C46.3Very low47.6Very low91 Ų91126.4 Ų126.462%0.61569%0.685SS**THydrogen-bonded Turntrans-82.1-9.4176.5-61.60000113.2F494 Q498F494-C496 VanDerWaalsContact C-N 3.33Å; C496-Q498 PolarHBondContact O-N 2.86Å
497M42.6Very low48.3Very low105 Ų105128.6 Ų128.652%0.51768%0.677SS.*  trans-98.283.9-177.1-148.9174.463.800110F494 A495 L499F494-M497 PolarHBondContact O-N 2.88Å; A495-M497 VanDerWaalsContact C-N 3.31Å; M497-L499 VanDerWaalsContact C-N 3.35Å; M497-L499 HydrophobicContact CE-CD1 4.27Å; M497-L499 HydrophobicContact CE-CD2 3.99Å; M497-L499 HydrophobicContact CE-CG 4.17Å; M497-L499 PolarHBondContact O-N 3.36Å
498Q51.3Low48.7Very low171 Ų171129.9 Ų129.980%0.79967%0.672SS**  trans-69.393.9168.6-80.9-17725.200109.7C496 K500C496-Q498 PolarHBondContact O-N 2.86Å; Q498-K500 PolarHBondContact O-N 2.9Å
499L48.9Very low49.1Very low122 Ų122135.2 Ų135.264%0.63968%0.678SS**  trans-68.199.7168.1-67.2172.4000108.6M497 V501M497-L499 VanDerWaalsContact C-N 3.35Å; M497-L499 HydrophobicContact CE-CD1 4.27Å; M497-L499 HydrophobicContact CE-CD2 3.99Å; M497-L499 HydrophobicContact CE-CG 4.17Å; M497-L499 PolarHBondContact O-N 3.36Å; L499-V501 PolarHBondContact O-N 3.11Å
500K49.4Very low48.9Very low197 Ų197136.9 Ų136.986%0.85768%0.679SS**  trans-77.651.3164.9-72.6-170.8177.1-1760110.9Q498Q498-K500 PolarHBondContact O-N 2.9Å
501V55.3Low48.8Very low88 Ų88135.5 Ų135.553%0.53367%0.673SS.*SBendtrans-128.2133.7173.1176.20000106.8L499 K503L499-V501 PolarHBondContact O-N 3.11Å; V501-K503 PolarHBondContact O-N 2.76Å; V501-K503 VanDerWaalsContact O-N 3.16Å
502D46.2Very low49Very low84 Ų84139.5 Ų139.545%0.44969%0.688SS.*  trans-35.5119.8171.7-106.6-30.2000110.5E504 K505D502-E504 PolarHBondContact O-N 2.74Å; D502-K505 HydrophobicContact CB-CB 4.06Å; D502-K505 HydrophobicContact CB-CD 3.98Å; D502-K505 HydrophobicContact CB-CG 3.93Å; D502-K505 PolarHBondContact O-N 2.84Å; D502-K505 WeakPolarHBondContact OD2-CE 3.39Å; D502-K505 IonicContact OD2-NZ 2.79Å; D502-K505 PolarHBondContact OD2-NZ 3.12Å
503K56.2Low48.7Very low182 Ų182143.5 Ų143.579%0.79170%0.703SS**THydrogen-bonded Turntrans-60.2-4.9175.3-74.4-176.5178.6-179.10112.7V501 W506V501-K503 PolarHBondContact O-N 2.76Å; V501-K503 VanDerWaalsContact O-N 3.16Å; K503-W506 PolarHBondContact O-NE1 3.05Å
504E55.8Low47.9Very low147 Ų147149 Ų14969%0.68773%0.728SS**THydrogen-bonded Turntrans-103-18.8179.3-64.2171.2-161.400112.4D502 Y508D502-E504 PolarHBondContact O-N 2.74Å; E504-Y508 WeakPolarHBondContact O-CD2 3.22Å; E504-Y508 VanDerWaalsContact O-CE2 3.29Å; E504-Y508 WeakPolarHBondContact O-CE2 3.17Å
505K53.5Low47.8Very low133 Ų133148.6 Ų148.658%0.57873%0.729SS**THydrogen-bonded Turntrans-94.3-18-175.1-72.5179.3-176.7140.20115D502 L507 Y508D502-K505 HydrophobicContact CB-CB 4.06Å; D502-K505 HydrophobicContact CB-CD 3.98Å; D502-K505 HydrophobicContact CB-CG 3.93Å; D502-K505 PolarHBondContact O-N 2.84Å; D502-K505 WeakPolarHBondContact OD2-CE 3.39Å; D502-K505 IonicContact OD2-NZ 2.79Å; D502-K505 PolarHBondContact OD2-NZ 3.12Å; K505-L507 VanDerWaalsContact C-N 3.33Å; K505-Y508 PolarHBondContact O-N 3.05Å
506W50.7Low47.6Very low167 Ų167152.3 Ų152.363%0.63373%0.734SS**G310 helixtrans-72.8-25.5179.268.1-67.6000112.9K503 Y508K503-W506 PolarHBondContact O-NE1 3.05Å; W506-Y508 VanDerWaalsContact C-N 3.27Å; W506-Y508 PolarHBondContact O-N 3.38Å
507L50.1Low47.7Very low124 Ų124155.7 Ų155.765%0.64974%0.741SS**G310 helixtrans-73.9-14177.1-75.8163.7000113.7K505K505-L507 VanDerWaalsContact C-N 3.33Å
508Y45.5Very low48Very low193 Ų193158.6 Ų158.676%0.75775%0.754SS**G310 helixtrans-105.39.4-177.1-64-77.2000114.7E504 K505 W506 T510E504-Y508 WeakPolarHBondContact O-CD2 3.22Å; E504-Y508 VanDerWaalsContact O-CE2 3.29Å; E504-Y508 WeakPolarHBondContact O-CE2 3.17Å; K505-Y508 PolarHBondContact O-N 3.05Å; W506-Y508 VanDerWaalsContact C-N 3.27Å; W506-Y508 PolarHBondContact O-N 3.38Å; Y508-T510 PolarHBondContact O-N 2.06Å
509R45.7Very low47.8Very low224 Ų224157.9 Ų157.985%0.84575%0.751SS**  trans-87.4113168.8-91.9-167.7174.7178.10110.3
510T45.2Very low47.7Very low124 Ų124160.3 Ų160.376%0.76176%0.758SS**  trans-53.9132.6165.9-26.10000109Y508 L512Y508-T510 PolarHBondContact O-N 2.06Å; T510-L512 PolarHBondContact O-N 3.33Å
511P42.3Very low47.6Very low115 Ų115157.6 Ų157.675%0.74775%0.751SS**  trans-60.8121.8172.3-15.527.2000108.6Q513P511-Q513 PolarHBondContact O-N 3.19Å; P511-Q513 VanDerWaalsContact O-N 3.15Å
512L47.9Very low47Very low171 Ų171163 Ų16390%0.89577%0.768SS**  trans-68.2110.5166.1-78.9161.8000106.9T510 M514T510-L512 PolarHBondContact O-N 3.33Å; L512-M514 PolarHBondContact O-N 2.92Å
513Q39Very low47Very low192 Ų192169.6 Ų169.690%0.89780%0.795SS**  trans-58125.9166.6-81.5176.4-24.100108.4P511P511-Q513 PolarHBondContact O-N 3.19Å; P511-Q513 VanDerWaalsContact O-N 3.15Å
514M32.7Very low46.2Very low263 Ų263168.5 Ų168.5100%1.29680%0.795SS**  trans-80.80164.7-80.4-170.9-178.500110.3L512L512-M514 PolarHBondContact O-N 2.92Å

Retrieved 514 of 514 residues in 54.8 ms (Link to these results)