A0A093JGA3_STRCA Loading...

Rab-like protein 6

May enhance cellular proliferation. May reduce growth inhibitory activity of CDKN2A.

AlphaFold DB , UniProt , Accession A0A093JGA3, Species STRCA (Struthio camelus australis), Gene n/a, Length 772 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
1M46.5Very low42.7Very low230 Ų230154 Ų154100%1.13386%0.855SS**  086.40-68.5174.5-83.500109.1
2F44.2Very low41.9Very low203 Ų203154.5 Ų154.589%0.8986%0.855SS**  trans-148.532.6-175.7-91.9-64.3000115.2
3S41.4Very low41.2Very low123 Ų123156.8 Ų156.886%0.8686%0.855SS**SBendtrans-124.713.6177.5-52.70000114.4
4A44.5Very low40.5Very low91 Ų91153.5 Ų153.575%0.75284%0.842SS**SBendtrans-101.2-19-17400000114.9
5L45.3Very low40.3Very low161 Ų161151.9 Ų151.984%0.84384%0.843SS**THydrogen-bonded Turntrans-91.6-2-174.7-78.3163.5000114.8
6K45.3Very low40Very low204 Ų204150.1 Ų150.189%0.88784%0.837SS**THydrogen-bonded Turntrans-103.122.6-179.7-146170-175.1174.40113.8
7K46.1Very low39.8Very low197 Ų197154.5 Ų154.586%0.85784%0.837SS**SBendtrans-133.127.1176.1-84.5-162.2171.4-169.60113.8
8L42.1Very low39.7Very low163 Ų163154.7 Ų154.785%0.85384%0.837SS**SBendtrans-122.816169.5-152.472.1000113.2
9V41.1Very low40Very low146 Ų146156.9 Ų156.989%0.88584%0.838SS**SBendtrans-132.780.6167.9-175.40000107.1
10G33.7Very low40.5Very low63 Ų63157 Ų15765%0.64984%0.839SS**  trans-149.6111-17900000110.4
11S39.9Very low41.1Very low113 Ų113154.9 Ų154.979%0.7983%0.827SS**  trans35.890.8156.459.50000117.6
12D32.7Very low41.2Very low160 Ų160148.3 Ų148.386%0.85680%0.801SS**  -162.9114.7119.8-105.8-31.9000111.5
13Q33Very low41.4Very low185 Ų185144.1 Ų144.186%0.86480%0.804SS**  trans-151.4129.7154.9-123.4-178.5107.100109.2
14T31.9Very low41.9Very low110 Ų110142 Ų14268%0.67580%0.802SS**  trans-77.1159-174.445.80000111.7V16T14-V16 PolarHBondContact O-N 2.7Å
15P37.1Very low42.5Very low130 Ų130143.9 Ų143.984%0.84480%0.798SS**  trans-68.392.717727.5-34.6000111R17P15-R17 PolarHBondContact O-N 2.67Å
16V35.3Very low43.6Very low123 Ų123145.1 Ų145.175%0.74580%0.8SS**  trans-70.5102.9173.4179.30000108.8T14T14-V16 PolarHBondContact O-N 2.7Å
17R35.8Very low44.3Very low224 Ų224139.9 Ų139.985%0.84579%0.789SS**  trans-20.4128.4177.8-67.3175172.9157.9-3115.7P15 K19P15-R17 PolarHBondContact O-N 2.67Å; R17-K19 PolarHBondContact O-N 3.39Å
18D38.3Very low45Very low158 Ų158134.6 Ų134.685%0.84577%0.768SS**  trans-48125.3161.5-61.3-84.3000111.3N20D18-N20 PolarHBondContact O-N 3.2Å
19K45.6Very low46.8Very low197 Ų197132.1 Ų132.186%0.85776%0.756SS**  trans-78.4100.7173.1-69.6178.8179.7175.70108.6R17 I21R17-K19 PolarHBondContact O-N 3.39Å; K19-I21 PolarHBondContact O-N 3.27Å
20N50.3Low48.4Very low159 Ų159130.9 Ų130.985%0.8574%0.74SS**  trans-5.688174-76.34000115.7D18D18-N20 PolarHBondContact O-N 3.2Å
21I52.9Low49.8Very low113 Ų113129.9 Ų129.958%0.57973%0.726SS**  trans-79.4122151.9-57.4177.5000105.5K19 A23 L25K19-I21 PolarHBondContact O-N 3.27Å; I21-A23 PolarHBondContact O-N 2.83Å; I21-L25 HydrophobicContact CG2-CB 3.97Å; I21-L25 WeakPolarHBondContact CG2-O 3.3Å
22P49.4Very low51Low91 Ų91128 Ų12859%0.59171%0.707SS**  trans-63.3131.3-179.125.3-33.2000110.3G24 L25P22-G24 PolarHBondContact O-N 3.48Å; P22-L25 PolarHBondContact O-N 2.75Å; P22-L25 VanDerWaalsContact O-N 3.07Å
23A47.3Very low52.7Low116 Ų116125.8 Ų125.896%0.95969%0.691SS**THydrogen-bonded Turntrans-57.9108.2-176.800000110.8I21I21-A23 PolarHBondContact O-N 2.83Å
24G52.8Low54.4Low79 Ų79124.6 Ų124.681%0.81468%0.679SS**THydrogen-bonded Turntrans138.2-29.8-171.600000113P22 Q26P22-G24 PolarHBondContact O-N 3.48Å; G24-Q26 PolarHBondContact O-N 3.26Å
25L57.1Low55.9Low129 Ų129123.3 Ų123.368%0.67566%0.662SS**  trans-85.391.1171.6-123.371.5000110.3I21 P22 S27I21-L25 HydrophobicContact CG2-CB 3.97Å; I21-L25 WeakPolarHBondContact CG2-O 3.3Å; P22-L25 PolarHBondContact O-N 2.75Å; P22-L25 VanDerWaalsContact O-N 3.07Å; L25-S27 PolarHBondContact O-N 3.46Å
26Q68.5Low57Low187 Ų187121.9 Ų121.987%0.87464%0.642SS**PPolyproline II helixtrans-62.2119.6171-171.1174.720.800109G24 M28G24-Q26 PolarHBondContact O-N 3.26Å; Q26-M28 PolarHBondContact O-N 2.97Å
27S59.8Low58.1Low94 Ų94120.2 Ų120.266%0.65764%0.642SS**PPolyproline II helixtrans-62.4123.317945.20000109.9L25 N29L25-S27 PolarHBondContact O-N 3.46Å; S27-N29 PolarHBondContact O-N 3.12Å
28M60.3Low59.3Low86 Ų86115.8 Ų115.842%0.42463%0.628SS.*PPolyproline II helixtrans-63.9126.2-174.8-174.1154.668.500110Q26 Q30 L32 Q33 F36Q26-M28 PolarHBondContact O-N 2.97Å; M28-Q30 PolarHBondContact O-N 2.65Å; M28-L32 HydrophobicContact CG-CB 3.97Å; M28-L32 HydrophobicContact CG-CD2 3.94Å; M28-L32 HydrophobicContact CG-CG 4.38Å; M28-L32 HydrophobicContact SD-CD2 4.04Å; M28-L32 HydrophobicContact SD-CG 4.47Å; M28-Q33 HydrophobicContact CE-CB 4.42Å; M28-Q33 HydrophobicContact CE-CG 4.35Å; M28-F36 HydrophobicContact CE-CB 4.04Å; M28-F36 HydrophobicContact CE-CD2 3.69Å; M28-F36 HydrophobicContact CE-CG 4.19Å; M28-F36 HydrophobicContact SD-CD2 3.49Å; M28-F36 WeakPolarHBondContact SD-CD2 3.33Å; M28-F36 HydrophobicContact SD-CE2 3.83Å; M28-F36 HydrophobicContact SD-CG 4.49Å
29N79.9Confident60.3Low111 Ų111109.7 Ų109.759%0.59460%0.603SS**PPolyproline II helixtrans-50.6133.9-177.4177.4-58.2000110.6S27 A31 L32 Q33S27-N29 PolarHBondContact O-N 3.12Å; N29-A31 PolarHBondContact O-N 3.11Å; N29-A31 VanDerWaalsContact O-N 3.11Å; N29-A31 WeakPolarHBondContact OD1-CB 3.45Å; N29-A31 PolarHBondContact OD1-N 3.48Å; N29-L32 HydrophobicContact CB-CB 4.26Å; N29-L32 CarbonylContact O-C 3.58Å; N29-L32 VanDerWaalsContact O-CA 3.32Å; N29-L32 WeakPolarHBondContact O-CA 3.42Å; N29-L32 VanDerWaalsContact O-CB 3.24Å; N29-L32 WeakPolarHBondContact O-CB 3.34Å; N29-L32 PolarHBondContact O-N 3.23Å; N29-Q33 PolarHBondContact O-N 2.96Å
30Q74.1Confident61.1Low120 Ų120103.1 Ų103.156%0.56158%0.579SS**Hα-helixtrans-57.6-31-171.4-165.9-176.989.500114M28 Q33 R34M28-Q30 PolarHBondContact O-N 2.65Å; Q30-Q33 PolarHBondContact O-N 3.19Å; Q30-R34 WeakPolarHBondContact O-CG 3.45Å; Q30-R34 PolarHBondContact O-N 3.14Å; Q30-R34 VanDerWaalsContact OE1-CZ 3.32Å; Q30-R34 VanDerWaalsContact OE1-NH1 3.13Å
31A64.6Low62Low43 Ų43100.3 Ų100.336%0.35556%0.561SS.*Hα-helixtrans-68-43.8172.300000111.4N29 Q33 R34 R35N29-A31 PolarHBondContact O-N 3.11Å; N29-A31 VanDerWaalsContact O-N 3.11Å; N29-A31 WeakPolarHBondContact OD1-CB 3.45Å; N29-A31 PolarHBondContact OD1-N 3.48Å; A31-Q33 VanDerWaalsContact C-N 3.28Å; A31-Q33 PolarHBondContact O-N 2.97Å; A31-R34 PolarHBondContact O-N 3.14Å; A31-R35 WeakPolarHBondContact O-CG 3.38Å; A31-R35 PolarHBondContact O-N 2.88Å
32L65.3Low63.7Low73 Ų7396.2 Ų96.238%0.38254%0.539SS..Hα-helixtrans-62.8-36.7173.2-144.175.5000111.4M28 N29 R35 F36M28-L32 HydrophobicContact CG-CB 3.97Å; M28-L32 HydrophobicContact CG-CD2 3.94Å; M28-L32 HydrophobicContact CG-CG 4.38Å; M28-L32 HydrophobicContact SD-CD2 4.04Å; M28-L32 HydrophobicContact SD-CG 4.47Å; N29-L32 HydrophobicContact CB-CB 4.26Å; N29-L32 CarbonylContact O-C 3.58Å; N29-L32 VanDerWaalsContact O-CA 3.32Å; N29-L32 WeakPolarHBondContact O-CA 3.42Å; N29-L32 VanDerWaalsContact O-CB 3.24Å; N29-L32 WeakPolarHBondContact O-CB 3.34Å; N29-L32 PolarHBondContact O-N 3.23Å; L32-R35 PolarHBondContact O-N 3.44Å; L32-F36 HydrophobicContact CD2-CD2 4.42Å; L32-F36 HydrophobicContact CD2-CE2 3.89Å; L32-F36 HydrophobicContact CG-CD2 3.99Å; L32-F36 HydrophobicContact CG-CE2 3.76Å; L32-F36 VanDerWaalsContact O-CD2 3.23Å; L32-F36 WeakPolarHBondContact O-CD2 3.41Å; L32-F36 PolarHBondContact O-N 2.91Å
33Q68.5Low65.8Low113 Ų11396 Ų9653%0.52853%0.532SS..Hα-helixtrans-68.4-37.4176.3-161.1174.316.400112.4M28 N29 Q30 A31 A37M28-Q33 HydrophobicContact CE-CB 4.42Å; M28-Q33 HydrophobicContact CE-CG 4.35Å; N29-Q33 PolarHBondContact O-N 2.96Å; Q30-Q33 PolarHBondContact O-N 3.19Å; A31-Q33 VanDerWaalsContact C-N 3.28Å; A31-Q33 PolarHBondContact O-N 2.97Å; Q33-A37 WeakPolarHBondContact O-CB 3.46Å; Q33-A37 PolarHBondContact O-N 2.8Å
34R68.4Low68.1Low160 Ų16090.5 Ų90.560%0.60449%0.487SS*.Hα-helixtrans-64.1-42.2169.7-73-178.1-176.1106.88.4112.2Q30 A31 A37 K38Q30-R34 WeakPolarHBondContact O-CG 3.45Å; Q30-R34 PolarHBondContact O-N 3.14Å; Q30-R34 VanDerWaalsContact OE1-CZ 3.32Å; Q30-R34 VanDerWaalsContact OE1-NH1 3.13Å; A31-R34 PolarHBondContact O-N 3.14Å; R34-A37 PolarHBondContact O-N 3.3Å; R34-K38 PolarHBondContact O-N 3.25Å
35R62.5Low70.2Confident84 Ų8488.1 Ų88.132%0.31745%0.454SS..Hα-helixtrans-61.8-48.2175.8-68.4171.9-177.3-176.7-6.5111.9A31 L32 A37 K38 D91 I93A31-R35 WeakPolarHBondContact O-CG 3.38Å; A31-R35 PolarHBondContact O-N 2.88Å; L32-R35 PolarHBondContact O-N 3.44Å; R35-A37 PolarHBondContact O-N 3.42Å; R35-K38 PolarHBondContact O-N 3.34Å; R35-D91 HydrophobicContact CG-CB 4.19Å; R35-D91 WeakPolarHBondContact CG-OD2 3.36Å; R35-D91 IonicContact CZ-OD1 3.44Å; R35-D91 VanDerWaalsContact CZ-OD1 3.26Å; R35-D91 IonicContact CZ-OD2 3.21Å; R35-D91 IonicContact NE-OD1 3.29Å; R35-D91 PolarHBondContact NE-OD1 3.39Å; R35-D91 IonicContact NE-OD2 2.79Å; R35-D91 PolarHBondContact NE-OD2 2.96Å; R35-D91 VanDerWaalsContact NH2-CG 3.3Å; R35-D91 IonicContact NH2-OD1 3.13Å; R35-D91 PolarHBondContact NH2-OD1 3.26Å; R35-D91 IonicContact NH2-OD2 2.7Å; R35-D91 PolarHBondContact NH2-OD2 3.06Å; R35-I93 HydrophobicContact CB-CD1 4.09Å
36F60.5Low72.1Confident99 Ų9982 Ų8243%0.43442%0.422SS..Hα-helixtrans-71.2-25.4177.4-77.7-62.3000113.8M28 L32 K38 G39 I93M28-F36 HydrophobicContact CE-CB 4.04Å; M28-F36 HydrophobicContact CE-CD2 3.69Å; M28-F36 HydrophobicContact CE-CG 4.19Å; M28-F36 HydrophobicContact SD-CD2 3.49Å; M28-F36 WeakPolarHBondContact SD-CD2 3.33Å; M28-F36 HydrophobicContact SD-CE2 3.83Å; M28-F36 HydrophobicContact SD-CG 4.49Å; L32-F36 HydrophobicContact CD2-CD2 4.42Å; L32-F36 HydrophobicContact CD2-CE2 3.89Å; L32-F36 HydrophobicContact CG-CD2 3.99Å; L32-F36 HydrophobicContact CG-CE2 3.76Å; L32-F36 VanDerWaalsContact O-CD2 3.23Å; L32-F36 WeakPolarHBondContact O-CD2 3.41Å; L32-F36 PolarHBondContact O-N 2.91Å; F36-K38 VanDerWaalsContact C-N 3.28Å; F36-K38 PolarHBondContact O-N 3.3Å; F36-G39 WeakPolarHBondContact O-CA 3.2Å; F36-G39 PolarHBondContact O-N 2.91Å; F36-I93 HydrophobicContact CD1-CD1 3.75Å; F36-I93 HydrophobicContact CE1-CD1 3.64Å; F36-I93 HydrophobicContact CG-CD1 4.26Å; F36-I93 HydrophobicContact CZ-CD1 4.06Å
37A58.7Low73.5Confident88 Ų8873.1 Ų73.173%0.72738%0.381SS*.Hα-helixtrans-67.1-25.7173.500000113.3Q33 R34 R35Q33-A37 WeakPolarHBondContact O-CB 3.46Å; Q33-A37 PolarHBondContact O-N 2.8Å; R34-A37 PolarHBondContact O-N 3.3Å; R35-A37 PolarHBondContact O-N 3.42Å
38K61.3Low75.3Confident131 Ų13168.6 Ų68.657%0.5735%0.349SS*.THydrogen-bonded Turntrans-75.8-9.5167.6-75.7-168.9170-166.20113.8R34 R35 F36 Q41R34-K38 PolarHBondContact O-N 3.25Å; R35-K38 PolarHBondContact O-N 3.34Å; F36-K38 VanDerWaalsContact C-N 3.28Å; F36-K38 PolarHBondContact O-N 3.3Å; K38-Q41 PolarHBondContact O-NE2 3.13Å
39G58.4Low77Confident31 Ų3165.4 Ų65.432%0.3233%0.332SS..  trans67.4-169.7-174.700000114.1F36 Q41F36-G39 WeakPolarHBondContact O-CA 3.2Å; F36-G39 PolarHBondContact O-N 2.91Å; G39-Q41 PolarHBondContact O-N 2.87Å
40V62.1Low77.7Confident58 Ų5860.1 Ų60.135%0.35230%0.304SS..EExtended strand (participates in β ladder)trans-83.1105.2167.3171.70000107.5Y42 I93 K95V40-Y42 WeakPolarHBondContact CG1-O 3.34Å; V40-I93 HydrophobicContact CG2-CG2 4.26Å; V40-K95 HydrophobicContact CG1-CB 3.56Å
41Q70.3Confident78.7Confident101 Ų10156.3 Ų56.347%0.47229%0.288SS..EExtended strand (participates in β ladder)trans-74-31-175.8-66.5-91.2-60.500112.4K38 G39 I93K38-Q41 PolarHBondContact O-NE2 3.13Å; G39-Q41 PolarHBondContact O-N 2.87Å; Q41-I93 PolarHBondContact N-O 2.88Å
42Y88.9Confident80Confident27 Ų2759.9 Ų59.911%0.10629%0.292CS..EExtended strand (participates in β ladder)trans-134.9137.3-173.5-62-87.4000112V40 K95 F231 L234 Q235 T238V40-Y42 WeakPolarHBondContact CG1-O 3.34Å; Y42-K95 PolarHBondContact O-N 3.35Å; Y42-F231 AromaticContact CD2-CE2 3.64Å; Y42-F231 HydrophobicContact CD2-CE2 3.64Å; Y42-F231 HydrophobicContact CD2-CZ 4.17Å; Y42-F231 HydrophobicContact CE2-CE2 4.13Å; Y42-F231 HydrophobicContact CE2-CZ 4.25Å; Y42-F231 AromaticContact CG-CE2 3.88Å; Y42-F231 HydrophobicContact CG-CE2 3.88Å; Y42-L234 HydrophobicContact CD1-CD2 4.23Å; Y42-L234 HydrophobicContact CD1-CG 4.17Å; Y42-Q235 HydrophobicContact CE1-CB 4.36Å; Y42-Q235 HydrophobicContact CE1-CG 4.49Å; Y42-T238 HydrophobicContact CE1-CG2 4.27Å
43N92.5Very high81.2Confident85 Ų8559.6 Ų59.646%0.45529%0.291SS..EExtended strand (participates in β ladder)trans-109.3130.3167.4-73.9-91.7000108.9K95 L234N43-K95 CarbonylContact C-O 3.51Å; N43-K95 WeakPolarHBondContact CA-O 3.47Å; N43-K95 VanDerWaalsContact OD1-CD 3.32Å; N43-K95 WeakPolarHBondContact OD1-CD 3.42Å; N43-K95 WeakPolarHBondContact OD1-CG 3.49Å; N43-K95 PolarHBondContact OD1-NZ 3.27Å; N43-L234 VanDerWaalsContact O-CD2 3.26Å; N43-L234 WeakPolarHBondContact O-CD2 3.49Å
44M95Very high82.5Confident1 Ų154.2 Ų54.21%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-127.3121.4-175.8-178-157.1-62.500110.7I46 V94 K95 V96 E97 N141 P230 F231 L234M44-I46 HydrophobicContact CG-CD1 4.21Å; M44-I46 HydrophobicContact CG-CG1 4.2Å; M44-I46 HydrophobicContact SD-CD1 3.61Å; M44-I46 HydrophobicContact SD-CG1 3.65Å; M44-V94 HydrophobicContact CB-CG1 4.16Å; M44-V94 HydrophobicContact CE-CG1 4.23Å; M44-K95 PolarHBondContact N-O 3.31Å; M44-V96 HydrophobicContact CB-CG2 4.34Å; M44-V96 HydrophobicContact CE-CG2 4.38Å; M44-V96 CarbonylContact O-C 3.52Å; M44-V96 WeakPolarHBondContact O-CA 3.11Å; M44-V96 HydrophobicContact SD-CG1 4.13Å; M44-V96 HydrophobicContact SD-CG2 4.13Å; M44-E97 PolarHBondContact O-N 2.9Å; M44-N141 WeakPolarHBondContact CA-OD1 3.15Å; M44-N141 HydrophobicContact CG-CB 3.71Å; M44-P230 HydrophobicContact CE-CB 4.38Å; M44-P230 HydrophobicContact CE-CG 4.15Å; M44-P230 HydrophobicContact SD-CB 3.99Å; M44-P230 HydrophobicContact SD-CG 3.78Å; M44-F231 HydrophobicContact CE-CB 3.6Å; M44-F231 HydrophobicContact CE-CD2 4.42Å; M44-L234 HydrophobicContact CB-CD2 4.24Å
45K96.7Very high83.8Confident29 Ų2947 Ų4713%0.12624%0.241CC..EExtended strand (participates in β ladder)trans-88.6114.8174.4177.3176.9170.3-170.90111.1W99 V136 K138 C140 N141 G142K45-W99 HydrophobicContact CD-CZ2 4.47Å; K45-V136 WeakPolarHBondContact CE-O 3.28Å; K45-V136 PolarHBondContact NZ-O 3.36Å; K45-K138 PolarHBondContact NZ-O 3.27Å; K45-C140 HydrophobicContact CD-CB 4.47Å; K45-C140 PolarHBondContact O-SG 2.79Å; K45-N141 PolarHBondContact N-OD1 3.3Å; K45-N141 PolarHBondContact O-N 2.91Å; K45-G142 PolarHBondContact O-N 2.89Å
46I97.7Very high85.3Confident1 Ų143.9 Ų43.91%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-109.9127.5173.5-65.4-62.2000110.6M44 V96 E97 V98 W99 G142 V144 F227 P230M44-I46 HydrophobicContact CG-CD1 4.21Å; M44-I46 HydrophobicContact CG-CG1 4.2Å; M44-I46 HydrophobicContact SD-CD1 3.61Å; M44-I46 HydrophobicContact SD-CG1 3.65Å; I46-V96 HydrophobicContact CB-CG1 4.1Å; I46-V96 HydrophobicContact CG1-CG1 3.56Å; I46-E97 PolarHBondContact N-O 3.36Å; I46-V98 WeakPolarHBondContact O-CA 3.42Å; I46-W99 PolarHBondContact O-N 3.27Å; I46-G142 VanDerWaalsContact CA-O 3.29Å; I46-G142 WeakPolarHBondContact CA-O 3.4Å; I46-G142 WeakPolarHBondContact CD1-O 3.38Å; I46-V144 HydrophobicContact CG2-CG2 4.07Å; I46-F227 HydrophobicContact CG1-CE1 4.33Å; I46-F227 HydrophobicContact CG2-CE1 4.18Å; I46-P230 HydrophobicContact CD1-CB 4.22Å; I46-P230 HydrophobicContact CD1-CG 3.97Å
47V97.5Very high87Confident0 Ų040.5 Ų40.50%022%0.217CC..EExtended strand (participates in β ladder)trans-105.2127.3179.8166.10000110.7R49 W99 V101 V136 C140 G142 V143 V144V47-R49 HydrophobicContact CG1-CB 4.34Å; V47-W99 HydrophobicContact CG2-CB 4.32Å; V47-V101 HydrophobicContact CG1-CG2 3.74Å; V47-V136 HydrophobicContact CG1-CG2 4.39Å; V47-V136 HydrophobicContact CG2-CB 4.48Å; V47-V136 WeakPolarHBondContact CG2-O 3.36Å; V47-C140 HydrophobicContact CG2-CB 4.27Å; V47-C140 VanDerWaalsContact CG2-SG 3.58Å; V47-G142 PolarHBondContact N-O 2.92Å; V47-G142 VanDerWaalsContact N-O 3.09Å; V47-V143 HydrophobicContact CB-CG2 4.4Å; V47-V143 HydrophobicContact CG1-CG1 4.38Å; V47-V143 CarbonylContact O-C 3.56Å; V47-V143 WeakPolarHBondContact O-CA 3.34Å; V47-V144 PolarHBondContact O-N 2.93Å
48I97.5Very high88.8Confident0 Ų037.7 Ų37.70%019%0.191CC..EExtended strand (participates in β ladder)trans-102.4112.9170.5-50176.2000108.6K56 L59 W60 L63 V98 W99 V101 V144I48-K56 HydrophobicContact CG2-CB 3.83Å; I48-K56 HydrophobicContact CG2-CD 4.14Å; I48-K56 HydrophobicContact CG2-CG 4.09Å; I48-L59 HydrophobicContact CD1-CD2 3.96Å; I48-L59 HydrophobicContact CD1-CG 4.01Å; I48-L59 HydrophobicContact CG2-CD2 4.28Å; I48-W60 HydrophobicContact CD1-CB 4.39Å; I48-L63 HydrophobicContact CD1-CD1 4.25Å; I48-V98 HydrophobicContact CD1-CG1 3.43Å; I48-V98 VanDerWaalsContact CD1-CG1 3.43Å; I48-V98 HydrophobicContact CG1-CG1 3.83Å; I48-W99 PolarHBondContact N-O 3.25Å; I48-V101 WeakPolarHBondContact O-CB 3.23Å; I48-V101 PolarHBondContact O-N 3.06Å; I48-V144 WeakPolarHBondContact CA-O 3.41Å; I48-V144 HydrophobicContact CG1-CB 4.31Å; I48-V144 HydrophobicContact CG2-CB 4.45Å
49R95.9Very high90.4Very high18 Ų1831.4 Ų31.47%0.06816%0.164CC..EExtended strand (participates in β ladder)trans-125.3160.7179.6-168.2167.4-162.3159.99.2110.3V47 D103 A131 Y137 V144 M145 M146 Y157 E161V47-R49 HydrophobicContact CG1-CB 4.34Å; R49-D103 IonicContact CZ-OD1 2.76Å; R49-D103 IonicContact NE-OD1 2.61Å; R49-D103 PolarHBondContact NE-OD1 3.22Å; R49-D103 IonicContact NH2-OD1 2.65Å; R49-D103 PolarHBondContact NH2-OD1 3.12Å; R49-A131 PolarHBondContact NH2-O 3.42Å; R49-Y137 VanDerWaalsContact CD-OH 3.28Å; R49-Y137 WeakPolarHBondContact CD-OH 3.39Å; R49-Y137 PolarHBondContact NH1-OH 3.27Å; R49-V144 PolarHBondContact N-O 3.06Å; R49-M145 HydrophobicContact CB-CE 4.31Å; R49-M145 HydrophobicContact CB-SD 3.95Å; R49-M145 HydrophobicContact CG-CE 4.41Å; R49-M145 HydrophobicContact CG-SD 4.28Å; R49-M145 WeakPolarHBondContact O-CA 3.46Å; R49-M146 PolarHBondContact O-N 2.94Å; R49-Y157 HydrophobicContact CG-CE1 4.46Å; R49-Y157 WeakPolarHBondContact CG-OH 3.08Å; R49-E161 IonicContact CZ-OE2 2.82Å
50G95.4Very high92.2Very high0 Ų031.1 Ų31.10%015%0.153CC..  trans147.3159.4-166.300000111.9K56 M146 Y157G50-K56 PolarHBondContact O-NZ 2.93Å; G50-M146 VanDerWaalsContact CA-O 3.26Å; G50-M146 WeakPolarHBondContact CA-O 3.42Å; G50-Y157 VanDerWaalsContact C-CE1 3.45Å; G50-Y157 PolarHBondContact N-OH 2.91Å; G50-Y157 VanDerWaalsContact N-OH 3.14Å; G50-Y157 PolarHBondContact O-OH 3.45Å
51D94.5Very high93.8Very high40 Ų4030.7 Ų30.721%0.21415%0.147CC..  trans-63.1170.2-179.1-164.18.2000112.7T54 W153 T154 Y157D51-T54 HydrophobicContact CB-CG2 3.88Å; D51-T54 WeakPolarHBondContact O-CG2 3.35Å; D51-T54 PolarHBondContact O-OG1 3.19Å; D51-W153 VanDerWaalsContact OD2-CD1 3.31Å; D51-T154 HydrophobicContact CB-CG2 4.1Å; D51-Y157 HydrophobicContact CB-CD2 3.9Å; D51-Y157 HydrophobicContact CB-CE2 4.45Å; D51-Y157 HydrophobicContact CB-CG 3.94Å
52R91.6Very high95Very high119 Ų11928.1 Ų28.145%0.44913%0.133SC..THydrogen-bonded Turntrans-62.9152.8170.1-65.9177.7176.1163.3-1.2110.2T54 K104R52-T54 PolarHBondContact O-N 2.65Å; R52-T54 VanDerWaalsContact O-N 3.11Å; R52-K104 PolarHBondContact NH2-O 3.35Å
53N92.3Very high95.3Very high66 Ų6628.7 Ų28.735%0.35314%0.138SC..THydrogen-bonded Turntrans57.919.5-178.6-62.681.2000116.5Y72 Y177N53-Y72 WeakPolarHBondContact ND2-CD1 3.45Å; N53-Y72 WeakPolarHBondContact ND2-CE1 3.36Å; N53-Y72 VanDerWaalsContact ND2-CG 3.34Å; N53-Y72 VanDerWaalsContact OD1-CE1 3.29Å; N53-Y72 WeakPolarHBondContact OD1-CE1 3.34Å; N53-Y177 WeakPolarHBondContact O-CE2 3.45Å; N53-Y177 PolarHBondContact O-OH 3.34Å
54T95.2Very high95.3Very high1 Ų126.7 Ų26.71%0.00613%0.126CC..SBendtrans-87.7-14.2174.455.20000114.1D51 R52 K56 T154 N176D51-T54 HydrophobicContact CB-CG2 3.88Å; D51-T54 WeakPolarHBondContact O-CG2 3.35Å; D51-T54 PolarHBondContact O-OG1 3.19Å; R52-T54 PolarHBondContact O-N 2.65Å; R52-T54 VanDerWaalsContact O-N 3.11Å; T54-K56 WeakPolarHBondContact OG1-CG 3.26Å; T54-T154 HydrophobicContact CG2-CG2 3.87Å; T54-N176 PolarHBondContact O-ND2 3.39Å
55G94.4Very high95.2Very high8 Ų829.8 Ų29.88%0.08216%0.158CC..SBendtrans99.714.8176.200000116.4T57 T58 L59G55-T57 PolarHBondContact O-N 2.93Å; G55-T58 CarbonylContact O-C 3.55Å; G55-T58 WeakPolarHBondContact O-CA 3.41Å; G55-T58 WeakPolarHBondContact O-CB 3.22Å; G55-T58 PolarHBondContact O-N 3.41Å; G55-T58 VanDerWaalsContact O-N 3.08Å; G55-T58 PolarHBondContact O-OG1 2.99Å; G55-L59 PolarHBondContact O-N 3.5Å
56K95.8Very high95.1Very high18 Ų1833.5 Ų33.58%0.07817%0.174CC..Hα-helixtrans-53.5-52.4-177.7-50.3-162.9-55.6-88.60114I48 G50 T54 T58 L59 W60 D100 V101 M146I48-K56 HydrophobicContact CG2-CB 3.83Å; I48-K56 HydrophobicContact CG2-CD 4.14Å; I48-K56 HydrophobicContact CG2-CG 4.09Å; G50-K56 PolarHBondContact O-NZ 2.93Å; T54-K56 WeakPolarHBondContact OG1-CG 3.26Å; K56-T58 PolarHBondContact O-N 2.9Å; K56-L59 CarbonylContact O-C 3.58Å; K56-L59 WeakPolarHBondContact O-CA 3.42Å; K56-L59 WeakPolarHBondContact O-CB 3.43Å; K56-L59 PolarHBondContact O-N 3.14Å; K56-W60 PolarHBondContact O-N 3.12Å; K56-D100 WeakPolarHBondContact CB-OD1 3.41Å; K56-D100 WeakPolarHBondContact CE-OD1 3.37Å; K56-V101 WeakPolarHBondContact CE-O 3.39Å; K56-V101 PolarHBondContact NZ-O 2.68Å; K56-M146 VanDerWaalsContact CA-SD 3.57Å; K56-M146 HydrophobicContact CB-SD 4.39Å; K56-M146 HydrophobicContact CG-CB 4.33Å; K56-M146 HydrophobicContact CG-SD 4.13Å; K56-M146 PolarHBondContact N-SD 3.08Å; K56-M146 VanDerWaalsContact N-SD 3.35Å
57T95.3Very high94.8Very high28 Ų2842.2 Ų42.217%0.17221%0.212CC..Hα-helixtrans-64.1-30.8178-37.90000111.9G55 W60 H61 T75 D100G55-T57 PolarHBondContact O-N 2.93Å; T57-W60 PolarHBondContact O-N 2.69Å; T57-H61 WeakPolarHBondContact O-CB 3.38Å; T57-H61 PolarHBondContact O-N 3.27Å; T57-T75 PolarHBondContact OG1-OG1 2.77Å; T57-D100 VanDerWaalsContact CA-OD2 3.23Å; T57-D100 WeakPolarHBondContact CA-OD2 3.34Å; T57-D100 WeakPolarHBondContact CB-OD2 3.34Å; T57-D100 WeakPolarHBondContact CG2-OD2 3.3Å; T57-D100 PolarHBondContact N-OD2 3.26Å; T57-D100 PolarHBondContact OG1-OD2 2.97Å
58T95.8Very high94.6Very high29 Ų2945.3 Ų45.318%0.17823%0.225CC..Hα-helixtrans-67.1-41.5171.6-34.70000111.1G55 K56 H61 R62 F68 M214G55-T58 CarbonylContact O-C 3.55Å; G55-T58 WeakPolarHBondContact O-CA 3.41Å; G55-T58 WeakPolarHBondContact O-CB 3.22Å; G55-T58 PolarHBondContact O-N 3.41Å; G55-T58 VanDerWaalsContact O-N 3.08Å; G55-T58 PolarHBondContact O-OG1 2.99Å; K56-T58 PolarHBondContact O-N 2.9Å; T58-H61 PolarHBondContact O-N 3.33Å; T58-R62 WeakPolarHBondContact O-CB 3.22Å; T58-R62 VanDerWaalsContact O-CG 3.23Å; T58-R62 WeakPolarHBondContact O-CG 3.5Å; T58-R62 PolarHBondContact O-N 2.93Å; T58-F68 HydrophobicContact CG2-CD2 3.47Å; T58-F68 VanDerWaalsContact CG2-CD2 3.47Å; T58-F68 HydrophobicContact CG2-CE2 3.74Å; T58-M214 HydrophobicContact CG2-CB 3.65Å; T58-M214 HydrophobicContact CG2-CG 4.44Å
59L96.5Very high94.3Very high0 Ų049.7 Ų49.70%025%0.248CC..Hα-helixtrans-63.7-44.1172.4172.761.4000111.6I48 G55 K56 H61 R62 L63 V144 M146 L174 M214 L220 L223I48-L59 HydrophobicContact CD1-CD2 3.96Å; I48-L59 HydrophobicContact CD1-CG 4.01Å; I48-L59 HydrophobicContact CG2-CD2 4.28Å; G55-L59 PolarHBondContact O-N 3.5Å; K56-L59 CarbonylContact O-C 3.58Å; K56-L59 WeakPolarHBondContact O-CA 3.42Å; K56-L59 WeakPolarHBondContact O-CB 3.43Å; K56-L59 PolarHBondContact O-N 3.14Å; L59-H61 PolarHBondContact O-N 3.46Å; L59-R62 PolarHBondContact O-N 3.06Å; L59-R62 VanDerWaalsContact O-N 3.12Å; L59-L63 HydrophobicContact CD1-CD1 4.06Å; L59-L63 HydrophobicContact CD1-CG 4.02Å; L59-L63 HydrophobicContact CG-CD1 4.04Å; L59-L63 HydrophobicContact CG-CG 4.46Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.06Å; L59-V144 HydrophobicContact CD2-CG1 4.05Å; L59-M146 HydrophobicContact CB-CE 3.78Å; L59-M146 HydrophobicContact CB-SD 4.38Å; L59-M146 HydrophobicContact CD2-CE 4.06Å; L59-M146 HydrophobicContact CD2-SD 4.42Å; L59-M146 HydrophobicContact CG-CE 4.48Å; L59-L174 HydrophobicContact CD2-CD2 3.92Å; L59-M214 HydrophobicContact CB-CG 4.24Å; L59-M214 HydrophobicContact CB-SD 3.7Å; L59-M214 HydrophobicContact CD1-CE 4.12Å; L59-M214 HydrophobicContact CD1-SD 3.63Å; L59-M214 HydrophobicContact CG-SD 4.26Å; L59-L220 HydrophobicContact CD1-CD2 3.47Å; L59-L220 VanDerWaalsContact CD1-CD2 3.47Å; L59-L223 HydrophobicContact CD1-CD2 3.69Å; L59-L223 HydrophobicContact CD2-CD2 3.99Å; L59-L223 HydrophobicContact CG-CD2 4.33Å
60W96.3Very high94Very high24 Ų2455.3 Ų55.39%0.09128%0.275CS..Hα-helixtrans-56.4-47.7175-175.590.4000111.7I48 K56 T57 L63 Q64 Q79 T81 V98 D100I48-W60 HydrophobicContact CD1-CB 4.39Å; K56-W60 PolarHBondContact O-N 3.12Å; T57-W60 PolarHBondContact O-N 2.69Å; W60-L63 PolarHBondContact O-N 3.15Å; W60-Q64 WeakPolarHBondContact O-CG 3.26Å; W60-Q64 PolarHBondContact O-N 3.05Å; W60-Q79 HydrophobicContact CH2-CB 4.26Å; W60-Q79 HydrophobicContact CZ2-CB 3.81Å; W60-Q79 PolarHBondContact NE1-O 3.4Å; W60-T81 HydrophobicContact CD2-CG2 4.46Å; W60-T81 HydrophobicContact CG-CG2 4.49Å; W60-T81 HydrophobicContact CZ2-CG2 4.29Å; W60-V98 PolarHBondContact NE1-O 3.2Å; W60-V98 VanDerWaalsContact NE1-O 3.13Å; W60-D100 HydrophobicContact CB-CB 4.15Å; W60-D100 HydrophobicContact CG-CB 3.95Å
61H95.6Very high93.9Very high49 Ų4962.5 Ų62.523%0.22731%0.309CS..Hα-helixtrans-61.4-44.1170.9-74.9-26.3000113.2T57 T58 L59 L63 Q64 G65 K66T57-H61 WeakPolarHBondContact O-CB 3.38Å; T57-H61 PolarHBondContact O-N 3.27Å; T58-H61 PolarHBondContact O-N 3.33Å; L59-H61 PolarHBondContact O-N 3.46Å; H61-L63 VanDerWaalsContact C-N 3.32Å; H61-L63 PolarHBondContact O-N 3.37Å; H61-Q64 WeakPolarHBondContact O-CB 3.47Å; H61-Q64 PolarHBondContact O-N 3.03Å; H61-Q64 VanDerWaalsContact O-N 3.16Å; H61-G65 PolarHBondContact O-N 2.97Å; H61-K66 HydrophobicContact CB-CB 4.14Å; H61-K66 WeakPolarHBondContact O-CB 3.2Å; H61-K66 PolarHBondContact O-N 3.28Å
62R94.9Very high93.8Very high48 Ų4865.6 Ų65.618%0.18132%0.318CS..Hα-helixtrans-63.3-36179.3-77.6-59.2-160.2174.412.5112.7T58 L59 Q64 G65 M214 K215 S217 L220T58-R62 WeakPolarHBondContact O-CB 3.22Å; T58-R62 VanDerWaalsContact O-CG 3.23Å; T58-R62 WeakPolarHBondContact O-CG 3.5Å; T58-R62 PolarHBondContact O-N 2.93Å; L59-R62 PolarHBondContact O-N 3.06Å; L59-R62 VanDerWaalsContact O-N 3.12Å; R62-Q64 VanDerWaalsContact C-N 3.3Å; R62-G65 PolarHBondContact O-N 3.38Å; R62-M214 HydrophobicContact CB-SD 4.4Å; R62-M214 HydrophobicContact CG-SD 4.19Å; R62-M214 PolarHBondContact NE-O 2.93Å; R62-M214 PolarHBondContact NH2-O 3.08Å; R62-K215 PolarHBondContact NH2-O 3.18Å; R62-S217 PolarHBondContact NE-OG 3.45Å; R62-S217 PolarHBondContact NH1-OG 3.42Å; R62-S217 PolarHBondContact NH2-OG 2.96Å; R62-L220 HydrophobicContact CB-CD1 3.83Å; R62-L220 HydrophobicContact CB-CD2 4.21Å; R62-L220 HydrophobicContact CG-CD1 4.25Å
63L94.8Very high93.7Very high38 Ų3865.5 Ų65.520%0.19933%0.325CS..Hα-helixtrans-67.1-30.3174.9-74.8169.4000112.5I48 L59 W60 H61 G65 I83 V98 L223 F227I48-L63 HydrophobicContact CD1-CD1 4.25Å; L59-L63 HydrophobicContact CD1-CD1 4.06Å; L59-L63 HydrophobicContact CD1-CG 4.02Å; L59-L63 HydrophobicContact CG-CD1 4.04Å; L59-L63 HydrophobicContact CG-CG 4.46Å; L59-L63 WeakPolarHBondContact O-CB 3.39Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 3.06Å; W60-L63 PolarHBondContact O-N 3.15Å; H61-L63 VanDerWaalsContact C-N 3.32Å; H61-L63 PolarHBondContact O-N 3.37Å; L63-G65 PolarHBondContact O-N 3.1Å; L63-I83 HydrophobicContact CB-CD1 4.18Å; L63-I83 HydrophobicContact CD2-CD1 4.36Å; L63-V98 HydrophobicContact CD1-CG1 3.98Å; L63-V98 HydrophobicContact CD1-CG2 4.37Å; L63-L223 HydrophobicContact CD1-CD2 4.3Å; L63-L223 HydrophobicContact CD2-CD2 4.23Å; L63-F227 HydrophobicContact CD1-CZ 4.33Å; L63-F227 HydrophobicContact CD2-CE2 4.04Å; L63-F227 HydrophobicContact CD2-CZ 4.1Å
64Q93.7Very high93.5Very high44 Ų4464.7 Ų64.721%0.20632%0.324CS..THydrogen-bonded Turntrans-76.94.1169.6-61.6161.910.100113.4W60 H61 R62 K66 T81 I83W60-Q64 WeakPolarHBondContact O-CG 3.26Å; W60-Q64 PolarHBondContact O-N 3.05Å; H61-Q64 WeakPolarHBondContact O-CB 3.47Å; H61-Q64 PolarHBondContact O-N 3.03Å; H61-Q64 VanDerWaalsContact O-N 3.16Å; R62-Q64 VanDerWaalsContact C-N 3.3Å; Q64-K66 HydrophobicContact CB-CD 4.36Å; Q64-K66 HydrophobicContact CB-CG 4.21Å; Q64-K66 PolarHBondContact O-N 2.86Å; Q64-K66 VanDerWaalsContact OE1-CD 3.28Å; Q64-T81 HydrophobicContact CG-CG2 4.01Å; Q64-T81 PolarHBondContact NE2-OG1 3.16Å; Q64-T81 VanDerWaalsContact NE2-OG1 3.11Å; Q64-I83 HydrophobicContact CG-CG2 4.37Å
65G92.2Very high93.3Very high66 Ų6666 Ų6668%0.6833%0.331SS*.THydrogen-bonded Turntrans738.2-174.700000115.1H61 R62 L63H61-G65 PolarHBondContact O-N 2.97Å; R62-G65 PolarHBondContact O-N 3.38Å; L63-G65 PolarHBondContact O-N 3.1Å
66K93.4Very high92.9Very high106 Ų10670 Ų7046%0.46135%0.348SS..PPolyproline II helixtrans-71.9156.7-180-65.3175.8178.3164.20111.7H61 Q64H61-K66 HydrophobicContact CB-CB 4.14Å; H61-K66 WeakPolarHBondContact O-CB 3.2Å; H61-K66 PolarHBondContact O-N 3.28Å; Q64-K66 HydrophobicContact CB-CD 4.36Å; Q64-K66 HydrophobicContact CB-CG 4.21Å; Q64-K66 PolarHBondContact O-N 2.86Å; Q64-K66 VanDerWaalsContact OE1-CD 3.28Å
67K91.6Very high92.5Very high184 Ų18474 Ų7480%0.837%0.367SS*.PPolyproline II helixtrans-69.2156.8175.9-64.7-177.7179.8179.90110.6
68F93.2Very high92.3Very high65 Ų6573.9 Ų73.929%0.28537%0.365SS..PPolyproline II helixtrans-67.8139.7171.5175.4-103.6000110.3T58 E70 M214 K215T58-F68 HydrophobicContact CG2-CD2 3.47Å; T58-F68 VanDerWaalsContact CG2-CD2 3.47Å; T58-F68 HydrophobicContact CG2-CE2 3.74Å; F68-E70 HydrophobicContact CD1-CB 4.4Å; F68-E70 HydrophobicContact CE1-CB 3.66Å; F68-E70 HydrophobicContact CE1-CG 4.03Å; F68-E70 HydrophobicContact CZ-CB 4.31Å; F68-E70 HydrophobicContact CZ-CG 4.45Å; F68-M214 WeakPolarHBondContact CD2-O 3.44Å; F68-K215 HydrophobicContact CD1-CG 4.26Å; F68-K215 HydrophobicContact CD2-CB 4.43Å; F68-K215 HydrophobicContact CE1-CB 4.25Å; F68-K215 HydrophobicContact CE1-CD 4.17Å; F68-K215 HydrophobicContact CE1-CG 3.85Å; F68-K215 HydrophobicContact CE2-CB 4.03Å; F68-K215 HydrophobicContact CZ-CB 3.94Å; F68-K215 HydrophobicContact CZ-CD 4.24Å; F68-K215 HydrophobicContact CZ-CG 4Å
69I91.8Very high92.2Very high92 Ų9275.9 Ų75.947%0.47237%0.372SS..  trans-116.7126.3170.8-61.5165.9000105.8E71I69-E71 HydrophobicContact CG2-CB 4.13Å
70E90.1Very high92.1Very high137 Ų13779.2 Ų79.264%0.6439%0.393SS*.  trans-85.9-21.7-176.8-168.5150.6-130.300112.7F68 K215F68-E70 HydrophobicContact CD1-CB 4.4Å; F68-E70 HydrophobicContact CE1-CB 3.66Å; F68-E70 HydrophobicContact CE1-CG 4.03Å; F68-E70 HydrophobicContact CZ-CB 4.31Å; F68-E70 HydrophobicContact CZ-CG 4.45Å; E70-K215 WeakPolarHBondContact OE1-CE 3.41Å; E70-K215 IonicContact OE1-NZ 3.27Å; E70-K215 PolarHBondContact OE1-NZ 2.88Å
71E93.6Very high92.1Very high151 Ų15179.3 Ų79.371%0.70640%0.396SS*.SBendtrans-70.4127.8173.9-176172.3-163.900111.1I69 I73I69-E71 HydrophobicContact CG2-CB 4.13Å; E71-I73 HydrophobicContact CG-CG1 4.47Å; E71-I73 PolarHBondContact O-N 3.24Å
72Y92Very high92Very high104 Ų10480.2 Ų80.241%0.40841%0.408SS..  trans-87.1103.5177.9176.4-113.8000111.7N53 P74N53-Y72 WeakPolarHBondContact ND2-CD1 3.45Å; N53-Y72 WeakPolarHBondContact ND2-CE1 3.36Å; N53-Y72 VanDerWaalsContact ND2-CG 3.34Å; N53-Y72 VanDerWaalsContact OD1-CE1 3.29Å; N53-Y72 WeakPolarHBondContact OD1-CE1 3.34Å; Y72-P74 HydrophobicContact CD1-CG 4.28Å; Y72-P74 HydrophobicContact CE1-CB 4.09Å; Y72-P74 HydrophobicContact CE1-CG 3.68Å
73I89.5Confident91.9Very high118 Ų11878.9 Ų78.961%0.60540%0.404SS*.PPolyproline II helixtrans-95.3119169.2-56.9177000108.3E71 T75E71-I73 HydrophobicContact CG-CG1 4.47Å; E71-I73 PolarHBondContact O-N 3.24Å; I73-T75 PolarHBondContact O-N 2.62Å
74P88.9Confident91.8Very high49 Ų4983.3 Ų83.332%0.31842%0.423SS..PPolyproline II helixtrans-72.3119.4177.3-12.726.2000111.9Y72Y72-P74 HydrophobicContact CD1-CG 4.28Å; Y72-P74 HydrophobicContact CE1-CB 4.09Å; Y72-P74 HydrophobicContact CE1-CG 3.68Å
75T89Confident91.7Very high28 Ų2881.8 Ų81.817%0.17242%0.416CS..PPolyproline II helixtrans-60.1131.9170.5-30.10000110.4T57 I73 E77 Q79 V102T57-T75 PolarHBondContact OG1-OG1 2.77Å; I73-T75 PolarHBondContact O-N 2.62Å; T75-E77 WeakPolarHBondContact CG2-O 3.25Å; T75-Q79 HydrophobicContact CG2-CG 3.9Å; T75-V102 HydrophobicContact CG2-CG2 3.84Å
76Q86.3Confident91.6Very high92 Ų9282.8 Ų82.843%0.4341%0.406SS..  trans-102.5-28.3-172.9-68.2177.17600113.4G105Q76-G105 VanDerWaalsContact O-CA 3.3Å; Q76-G105 WeakPolarHBondContact O-CA 3.44Å
77E88.1Confident91.3Very high101 Ų10179.4 Ų79.447%0.47239%0.39SS..SBendtrans-141.5157.2-172.9-69150.3-144.100108T75 Q79 V102T75-E77 WeakPolarHBondContact CG2-O 3.25Å; E77-Q79 PolarHBondContact O-N 2.86Å; E77-V102 WeakPolarHBondContact O-CG2 3.45Å
78I91.5Very high90.9Very high26 Ų2678.1 Ų78.113%0.13338%0.384CS..  trans-60.6133.9177.4-68.8166.2000111.2V80 W99 L129 L134 V136I78-V80 HydrophobicContact CG2-CG2 4.46Å; I78-W99 HydrophobicContact CG2-CE3 3.85Å; I78-W99 HydrophobicContact CG2-CZ3 4.42Å; I78-L129 VanDerWaalsContact CG1-O 3.3Å; I78-L129 WeakPolarHBondContact CG1-O 3.32Å; I78-L129 PolarHBondContact N-O 3.49Å; I78-L134 HydrophobicContact CD1-CD1 4.26Å; I78-V136 HydrophobicContact CD1-CG1 3.92Å
79Q93.2Very high90.5Very high71 Ų7180.3 Ų80.333%0.33240%0.404SS..EExtended strand (participates in β ladder)trans-114.7128.3179.4-61.5-170.3-8.400112.3W60 T75 E77 W99 D100W60-Q79 HydrophobicContact CH2-CB 4.26Å; W60-Q79 HydrophobicContact CZ2-CB 3.81Å; W60-Q79 PolarHBondContact NE1-O 3.4Å; T75-Q79 HydrophobicContact CG2-CG 3.9Å; E77-Q79 PolarHBondContact O-N 2.86Å; Q79-W99 CarbonylContact O-C 3.5Å; Q79-W99 WeakPolarHBondContact O-CA 3.49Å; Q79-D100 HydrophobicContact CB-CB 4.41Å; Q79-D100 PolarHBondContact N-O 2.97Å; Q79-D100 VanDerWaalsContact N-O 3.08Å; Q79-D100 PolarHBondContact O-N 3.43Å
80V94.8Very high89.9Confident71 Ų7178.3 Ų78.343%0.4340%0.395SS..EExtended strand (participates in β ladder)trans-112.2141.6-179.8-173.20000110.7I78 V98 W99I78-V80 HydrophobicContact CG2-CG2 4.46Å; V80-V98 WeakPolarHBondContact CA-O 3.48Å; V80-W99 HydrophobicContact CG1-CG 4.37Å; V80-W99 HydrophobicContact CG2-CD2 3.58Å; V80-W99 HydrophobicContact CG2-CE3 3.94Å; V80-W99 HydrophobicContact CG2-CG 3.88Å; V80-W99 HydrophobicContact CG2-CH2 4.46Å; V80-W99 HydrophobicContact CG2-CZ2 4.17Å; V80-W99 HydrophobicContact CG2-CZ3 4.36Å
81T95.4Very high89.2Confident26 Ų2676.1 Ų76.116%0.1639%0.388CS..EExtended strand (participates in β ladder)trans-138.7146.1171.7-1670000110.4W60 Q64 I83 E97 V98W60-T81 HydrophobicContact CD2-CG2 4.46Å; W60-T81 HydrophobicContact CG-CG2 4.49Å; W60-T81 HydrophobicContact CZ2-CG2 4.29Å; Q64-T81 HydrophobicContact CG-CG2 4.01Å; Q64-T81 PolarHBondContact NE2-OG1 3.16Å; Q64-T81 VanDerWaalsContact NE2-OG1 3.11Å; T81-I83 HydrophobicContact CG2-CG2 4.28Å; T81-E97 CarbonylContact O-C 3.58Å; T81-E97 VanDerWaalsContact O-CA 3.31Å; T81-E97 WeakPolarHBondContact O-CA 3.42Å; T81-V98 HydrophobicContact CG2-CB 3.87Å; T81-V98 PolarHBondContact N-O 2.98Å; T81-V98 PolarHBondContact O-N 2.81Å
82S94.2Very high88.5Confident68 Ų6869.6 Ų69.648%0.47636%0.358SS..EExtended strand (participates in β ladder)trans-99124.1167.947.70000110
83I93.5Very high88.1Confident20 Ų2065.7 Ų65.710%0.10334%0.344CS..EExtended strand (participates in β ladder)trans-113.3143.7169.467.5179.3000109.3L63 Q64 T81 V96 V98 F227L63-I83 HydrophobicContact CB-CD1 4.18Å; L63-I83 HydrophobicContact CD2-CD1 4.36Å; Q64-I83 HydrophobicContact CG-CG2 4.37Å; T81-I83 HydrophobicContact CG2-CG2 4.28Å; I83-V96 HydrophobicContact CD1-CB 4.41Å; I83-V96 HydrophobicContact CG1-CB 3.83Å; I83-V96 HydrophobicContact CG1-CG1 4.47Å; I83-V96 PolarHBondContact N-O 3.18Å; I83-V96 PolarHBondContact O-N 3.07Å; I83-V98 HydrophobicContact CD1-CG2 3.91Å; I83-V98 HydrophobicContact CG1-CG2 4.19Å; I83-F227 HydrophobicContact CD1-CE2 4.33Å
84H91.8Very high88.1Confident130 Ų13060 Ų6060%0.60232%0.315SS*.EExtended strand (participates in β ladder)trans-87.8124.5170.2-64.598.2000108.6I93H84-I93 HydrophobicContact CB-CG2 4.34Å
85W92.4Very high88.4Confident12 Ų1260.1 Ų60.15%0.04531%0.311CS..EExtended strand (participates in β ladder)trans-123.5138.6179.5-179.287.2000109Y87 V94 V96 H224 F227 N228 F231W85-Y87 AromaticContact CH2-CD2 3.79Å; W85-Y87 HydrophobicContact CH2-CD2 3.79Å; W85-Y87 HydrophobicContact CH2-CG 4.43Å; W85-Y87 HydrophobicContact CZ3-CD2 4.28Å; W85-Y87 HydrophobicContact CZ3-CG 4.48Å; W85-V94 HydrophobicContact CE3-CB 4.04Å; W85-V94 HydrophobicContact CE3-CG2 3.9Å; W85-V94 HydrophobicContact CZ3-CG2 4.2Å; W85-V94 PolarHBondContact N-O 3.35Å; W85-V94 WeakPolarHBondContact O-CB 3.07Å; W85-V94 PolarHBondContact O-N 2.93Å; W85-V96 HydrophobicContact CB-CG2 3.71Å; W85-V96 HydrophobicContact CG-CG2 4.36Å; W85-H224 AromaticContact CD1-CE1 3.68Å; W85-H224 AromaticContact CD1-ND1 3.91Å; W85-H224 AromaticContact CD1-NE2 3.99Å; W85-H224 AromaticContact CE2-CE1 3.99Å; W85-H224 AromaticContact CE2-ND1 3.95Å; W85-H224 AromaticContact NE1-CE1 3.18Å; W85-H224 PolarHBondContact NE1-CE1 3.09Å; W85-H224 AromaticContact NE1-CG 3.74Å; W85-H224 AromaticContact NE1-ND1 3.08Å; W85-H224 PolarHBondContact NE1-ND1 2.62Å; W85-H224 AromaticContact NE1-NE2 3.89Å; W85-H224 PolarHBondContact NE1-O 2.95Å; W85-F227 AromaticContact CD1-CD2 3.8Å; W85-F227 HydrophobicContact CD2-CB 4.38Å; W85-F227 HydrophobicContact CG-CD2 4.38Å; W85-F227 HydrophobicContact CH2-CB 4.39Å; W85-F227 HydrophobicContact CZ2-CB 3.72Å; W85-F227 AromaticContact NE1-CD2 3.75Å; W85-N228 VanDerWaalsContact CH2-OD1 3.31Å; W85-N228 WeakPolarHBondContact CH2-OD1 3.31Å; W85-N228 WeakPolarHBondContact CZ2-OD1 3.39Å; W85-F231 HydrophobicContact CH2-CB 4.22Å; W85-F231 HydrophobicContact CH2-CG 4.48Å; W85-F231 HydrophobicContact CZ3-CB 3.96Å; W85-F231 HydrophobicContact CZ3-CD1 4.28Å; W85-F231 HydrophobicContact CZ3-CD2 4.38Å; W85-F231 AromaticContact CZ3-CG 3.92Å; W85-F231 HydrophobicContact CZ3-CG 3.92Å
86N88.5Confident88.7Confident88 Ų8858.8 Ų58.847%0.47130%0.302SS..EExtended strand (participates in β ladder)trans-105.1133.3176.960.2-34.3000110.4
87Y88.4Confident89.2Confident35 Ų3557.2 Ų57.214%0.13730%0.295CS..  trans-68164163.4-168.4-143.3000109.8W85 T89 T90 N228 F231 L232W85-Y87 AromaticContact CH2-CD2 3.79Å; W85-Y87 HydrophobicContact CH2-CD2 3.79Å; W85-Y87 HydrophobicContact CH2-CG 4.43Å; W85-Y87 HydrophobicContact CZ3-CD2 4.28Å; W85-Y87 HydrophobicContact CZ3-CG 4.48Å; Y87-T89 PolarHBondContact OH-OG1 3.25Å; Y87-T90 HydrophobicContact CD1-CG2 4.39Å; Y87-T90 WeakPolarHBondContact CD1-OG1 3.43Å; Y87-N228 HydrophobicContact CE2-CB 4.19Å; Y87-F231 AromaticContact CD1-CD1 3.99Å; Y87-F231 HydrophobicContact CD1-CD1 3.99Å; Y87-F231 AromaticContact CD1-CE1 3.48Å; Y87-F231 HydrophobicContact CD1-CE1 3.48Å; Y87-F231 VanDerWaalsContact CD1-CE1 3.48Å; Y87-F231 HydrophobicContact CD1-CZ 4.47Å; Y87-F231 HydrophobicContact CD2-CD1 4.06Å; Y87-F231 HydrophobicContact CD2-CE1 4.35Å; Y87-F231 HydrophobicContact CE1-CD1 4.37Å; Y87-F231 HydrophobicContact CE1-CE1 4.03Å; Y87-F231 HydrophobicContact CE2-CD1 4.46Å; Y87-F231 AromaticContact CG-CD1 3.83Å; Y87-F231 HydrophobicContact CG-CD1 3.83Å; Y87-F231 AromaticContact CG-CE1 3.67Å; Y87-F231 HydrophobicContact CG-CE1 3.67Å; Y87-L232 HydrophobicContact CE1-CD2 4.22Å
88K83.2Confident89.7Confident156 Ų15652.4 Ų52.468%0.67827%0.273SS*.SBendtrans-98-22.1-176.4-80.3-177163.7-73.10114.1
89T84.1Confident90Very high112 Ų11253.9 Ų53.969%0.68728%0.277SS*.SBendtrans-102.8-25-174.1-40.90000111.9Y87Y87-T89 PolarHBondContact OH-OG1 3.25Å
90T79.9Confident90.1Very high49 Ų4950.5 Ų50.530%0.30126%0.261SS..SBendtrans-122.7154.5171.9660000109.9Y87 D92Y87-T90 HydrophobicContact CD1-CG2 4.39Å; Y87-T90 WeakPolarHBondContact CD1-OG1 3.43Å; T90-D92 WeakPolarHBondContact CB-OD2 3.3Å; T90-D92 PolarHBondContact O-N 3.1Å; T90-D92 VanDerWaalsContact O-N 3.11Å; T90-D92 PolarHBondContact OG1-OD2 3.07Å
91D75.7Confident90.1Very high91 Ų9147.1 Ų47.149%0.48724%0.24SC..  trans-79.117.2-177.7-112.723000113.5R35R35-D91 HydrophobicContact CG-CB 4.19Å; R35-D91 WeakPolarHBondContact CG-OD2 3.36Å; R35-D91 IonicContact CZ-OD1 3.44Å; R35-D91 VanDerWaalsContact CZ-OD1 3.26Å; R35-D91 IonicContact CZ-OD2 3.21Å; R35-D91 IonicContact NE-OD1 3.29Å; R35-D91 PolarHBondContact NE-OD1 3.39Å; R35-D91 IonicContact NE-OD2 2.79Å; R35-D91 PolarHBondContact NE-OD2 2.96Å; R35-D91 VanDerWaalsContact NH2-CG 3.3Å; R35-D91 IonicContact NH2-OD1 3.13Å; R35-D91 PolarHBondContact NH2-OD1 3.26Å; R35-D91 IonicContact NH2-OD2 2.7Å; R35-D91 PolarHBondContact NH2-OD2 3.06Å
92D77.8Confident89.8Confident15 Ų1546.3 Ų46.38%0.0824%0.235CC..PPolyproline II helixtrans-80135.5-170.3-55.7-42.9000112.2T90T90-D92 WeakPolarHBondContact CB-OD2 3.3Å; T90-D92 PolarHBondContact O-N 3.1Å; T90-D92 VanDerWaalsContact O-N 3.11Å; T90-D92 PolarHBondContact OG1-OD2 3.07Å
93I83.5Confident89.2Confident21 Ų2144.4 Ų44.411%0.10822%0.22CC..EExtended strand (participates in β ladder)trans-93.9117.9175.5-56.7177.5000108.6R35 F36 V40 Q41 H84R35-I93 HydrophobicContact CB-CD1 4.09Å; F36-I93 HydrophobicContact CD1-CD1 3.75Å; F36-I93 HydrophobicContact CE1-CD1 3.64Å; F36-I93 HydrophobicContact CG-CD1 4.26Å; F36-I93 HydrophobicContact CZ-CD1 4.06Å; V40-I93 HydrophobicContact CG2-CG2 4.26Å; Q41-I93 PolarHBondContact N-O 2.88Å; H84-I93 HydrophobicContact CB-CG2 4.34Å
94V90.8Very high88.5Confident0 Ų048.7 Ų48.70%024%0.238CC..EExtended strand (participates in β ladder)trans-103130.8177.9-172.80000109.3M44 W85 V96 F231M44-V94 HydrophobicContact CB-CG1 4.16Å; M44-V94 HydrophobicContact CE-CG1 4.23Å; W85-V94 HydrophobicContact CE3-CB 4.04Å; W85-V94 HydrophobicContact CE3-CG2 3.9Å; W85-V94 HydrophobicContact CZ3-CG2 4.2Å; W85-V94 PolarHBondContact N-O 3.35Å; W85-V94 WeakPolarHBondContact O-CB 3.07Å; W85-V94 PolarHBondContact O-N 2.93Å; V94-V96 HydrophobicContact CG1-CG2 4Å; V94-F231 HydrophobicContact CG1-CD2 4.38Å; V94-F231 HydrophobicContact CG2-CD2 3.6Å; V94-F231 HydrophobicContact CG2-CE2 3.46Å; V94-F231 VanDerWaalsContact CG2-CE2 3.46Å; V94-F231 HydrophobicContact CG2-CZ 4.31Å
95K94.3Very high87.4Confident51 Ų5143.2 Ų43.222%0.22222%0.216CC..EExtended strand (participates in β ladder)trans-89.3106.2169169.7165157.7-84.60108.5V40 Y42 N43 M44 E97V40-K95 HydrophobicContact CG1-CB 3.56Å; Y42-K95 PolarHBondContact O-N 3.35Å; N43-K95 CarbonylContact C-O 3.51Å; N43-K95 WeakPolarHBondContact CA-O 3.47Å; N43-K95 VanDerWaalsContact OD1-CD 3.32Å; N43-K95 WeakPolarHBondContact OD1-CD 3.42Å; N43-K95 WeakPolarHBondContact OD1-CG 3.49Å; N43-K95 PolarHBondContact OD1-NZ 3.27Å; M44-K95 PolarHBondContact N-O 3.31Å; K95-E97 WeakPolarHBondContact CE-OE1 3.29Å; K95-E97 IonicContact NZ-OE1 2.63Å; K95-E97 PolarHBondContact NZ-OE1 3.05Å
96V95.9Very high86.1Confident0 Ų048.3 Ų48.30%024%0.239CC..EExtended strand (participates in β ladder)trans-95116177.2-174.80000108.5M44 I46 I83 W85 V94 V98M44-V96 HydrophobicContact CB-CG2 4.34Å; M44-V96 HydrophobicContact CE-CG2 4.38Å; M44-V96 CarbonylContact O-C 3.52Å; M44-V96 WeakPolarHBondContact O-CA 3.11Å; M44-V96 HydrophobicContact SD-CG1 4.13Å; M44-V96 HydrophobicContact SD-CG2 4.13Å; I46-V96 HydrophobicContact CB-CG1 4.1Å; I46-V96 HydrophobicContact CG1-CG1 3.56Å; I83-V96 HydrophobicContact CD1-CB 4.41Å; I83-V96 HydrophobicContact CG1-CB 3.83Å; I83-V96 HydrophobicContact CG1-CG1 4.47Å; I83-V96 PolarHBondContact N-O 3.18Å; I83-V96 PolarHBondContact O-N 3.07Å; W85-V96 HydrophobicContact CB-CG2 3.71Å; W85-V96 HydrophobicContact CG-CG2 4.36Å; V94-V96 HydrophobicContact CG1-CG2 4Å; V96-V98 HydrophobicContact CG1-CG2 3.92Å
97E96.9Very high84.5Confident59 Ų5947.5 Ų47.528%0.27624%0.239SC..EExtended strand (participates in β ladder)trans-89.6111173.4-64.1-168.4167.700109.4M44 I46 T81 K95M44-E97 PolarHBondContact O-N 2.9Å; I46-E97 PolarHBondContact N-O 3.36Å; T81-E97 CarbonylContact O-C 3.58Å; T81-E97 VanDerWaalsContact O-CA 3.31Å; T81-E97 WeakPolarHBondContact O-CA 3.42Å; K95-E97 WeakPolarHBondContact CE-OE1 3.29Å; K95-E97 IonicContact NZ-OE1 2.63Å; K95-E97 PolarHBondContact NZ-OE1 3.05Å
98V97.7Very high83Confident0 Ų053 Ų530%026%0.264CS..EExtended strand (participates in β ladder)trans-102.3116.6-176.7-173.30000109.6I46 I48 W60 L63 V80 T81 I83 V96I46-V98 WeakPolarHBondContact O-CA 3.42Å; I48-V98 HydrophobicContact CD1-CG1 3.43Å; I48-V98 VanDerWaalsContact CD1-CG1 3.43Å; I48-V98 HydrophobicContact CG1-CG1 3.83Å; W60-V98 PolarHBondContact NE1-O 3.2Å; W60-V98 VanDerWaalsContact NE1-O 3.13Å; L63-V98 HydrophobicContact CD1-CG1 3.98Å; L63-V98 HydrophobicContact CD1-CG2 4.37Å; V80-V98 WeakPolarHBondContact CA-O 3.48Å; T81-V98 HydrophobicContact CG2-CB 3.87Å; T81-V98 PolarHBondContact N-O 2.98Å; T81-V98 PolarHBondContact O-N 2.81Å; I83-V98 HydrophobicContact CD1-CG2 3.91Å; I83-V98 HydrophobicContact CG1-CG2 4.19Å; V96-V98 HydrophobicContact CG1-CG2 3.92Å
99W97.1Very high81.6Confident57 Ų5754.8 Ų54.822%0.21627%0.271CS..EExtended strand (participates in β ladder)trans-101.3111.4-178.1-66.952.3000109.4K45 I46 V47 I48 I78 Q79 V80 V101K45-W99 HydrophobicContact CD-CZ2 4.47Å; I46-W99 PolarHBondContact O-N 3.27Å; V47-W99 HydrophobicContact CG2-CB 4.32Å; I48-W99 PolarHBondContact N-O 3.25Å; I78-W99 HydrophobicContact CG2-CE3 3.85Å; I78-W99 HydrophobicContact CG2-CZ3 4.42Å; Q79-W99 CarbonylContact O-C 3.5Å; Q79-W99 WeakPolarHBondContact O-CA 3.49Å; V80-W99 HydrophobicContact CG1-CG 4.37Å; V80-W99 HydrophobicContact CG2-CD2 3.58Å; V80-W99 HydrophobicContact CG2-CE3 3.94Å; V80-W99 HydrophobicContact CG2-CG 3.88Å; V80-W99 HydrophobicContact CG2-CH2 4.46Å; V80-W99 HydrophobicContact CG2-CZ2 4.17Å; V80-W99 HydrophobicContact CG2-CZ3 4.36Å; W99-V101 HydrophobicContact CB-CG2 4.38Å; W99-V101 PolarHBondContact O-N 3.15Å
100D96.4Very high80Confident0 Ų060.5 Ų60.50%028%0.28CS..EExtended strand (participates in β ladder)trans-81.7108.1167.2-178.428.2000109K56 T57 W60 Q79K56-D100 WeakPolarHBondContact CB-OD1 3.41Å; K56-D100 WeakPolarHBondContact CE-OD1 3.37Å; T57-D100 VanDerWaalsContact CA-OD2 3.23Å; T57-D100 WeakPolarHBondContact CA-OD2 3.34Å; T57-D100 WeakPolarHBondContact CB-OD2 3.34Å; T57-D100 WeakPolarHBondContact CG2-OD2 3.3Å; T57-D100 PolarHBondContact N-OD2 3.26Å; T57-D100 PolarHBondContact OG1-OD2 2.97Å; W60-D100 HydrophobicContact CB-CB 4.15Å; W60-D100 HydrophobicContact CG-CB 3.95Å; Q79-D100 HydrophobicContact CB-CB 4.41Å; Q79-D100 PolarHBondContact N-O 2.97Å; Q79-D100 VanDerWaalsContact N-O 3.08Å; Q79-D100 PolarHBondContact O-N 3.43Å
101V94.3Very high78.6Confident0 Ų061.4 Ų61.40%030%0.299CS..  trans-91128.6-170.1172.40000112.3V47 I48 K56 W99 A131 V136V47-V101 HydrophobicContact CG1-CG2 3.74Å; I48-V101 WeakPolarHBondContact O-CB 3.23Å; I48-V101 PolarHBondContact O-N 3.06Å; K56-V101 WeakPolarHBondContact CE-O 3.39Å; K56-V101 PolarHBondContact NZ-O 2.68Å; W99-V101 HydrophobicContact CB-CG2 4.38Å; W99-V101 PolarHBondContact O-N 3.15Å; V101-A131 HydrophobicContact CG1-CB 3.44Å; V101-A131 VanDerWaalsContact CG1-CB 3.44Å; V101-V136 HydrophobicContact CG1-CG1 4.09Å; V101-V136 HydrophobicContact CG1-CG2 4.48Å; V101-V136 HydrophobicContact CG2-CB 4.16Å; V101-V136 HydrophobicContact CG2-CG1 3.85Å; V101-V136 HydrophobicContact CG2-CG2 4.47Å
102V89.6Confident77.6Confident9 Ų965.2 Ų65.26%0.05532%0.32CS..  trans-96123.5167.3-179.20000107.7T75 E77 K104 D130 A131T75-V102 HydrophobicContact CG2-CG2 3.84Å; E77-V102 WeakPolarHBondContact O-CG2 3.45Å; V102-K104 VanDerWaalsContact CG1-O 3.27Å; V102-K104 WeakPolarHBondContact CG1-O 3.41Å; V102-D130 WeakPolarHBondContact O-CA 3.29Å; V102-D130 WeakPolarHBondContact O-CB 3.47Å; V102-A131 PolarHBondContact O-N 3.04Å
103D82.1Confident76.2Confident27 Ų2767.5 Ų67.514%0.14435%0.347CS..SBendtrans-71.2-51178.3-63.1-73000112.3R49 A131 E132 Y157R49-D103 IonicContact CZ-OD1 2.76Å; R49-D103 IonicContact NE-OD1 2.61Å; R49-D103 PolarHBondContact NE-OD1 3.22Å; R49-D103 IonicContact NH2-OD1 2.65Å; R49-D103 PolarHBondContact NH2-OD1 3.12Å; D103-A131 PolarHBondContact O-N 2.89Å; D103-E132 PolarHBondContact O-N 3.4Å; D103-Y157 PolarHBondContact OD1-OH 3.12Å; D103-Y157 VanDerWaalsContact OD2-CE2 3.29Å; D103-Y157 WeakPolarHBondContact OD2-CE2 3.37Å; D103-Y157 PolarHBondContact OD2-OH 2.59Å
104K78.9Confident74.6Confident111 Ų11174.3 Ų74.348%0.48338%0.383SS..SBendtrans-122.3114.3176.3-72.6-177.8177.9-71.30108R52 V102 D130 E132R52-K104 PolarHBondContact NH2-O 3.35Å; V102-K104 VanDerWaalsContact CG1-O 3.27Å; V102-K104 WeakPolarHBondContact CG1-O 3.41Å; K104-D130 WeakPolarHBondContact CA-OD2 3.43Å; K104-E132 WeakPolarHBondContact CE-OE1 3.39Å; K104-E132 IonicContact NZ-OE1 2.79Å; K104-E132 PolarHBondContact NZ-OE1 3.42Å; K104-E132 IonicContact NZ-OE2 2.76Å; K104-E132 PolarHBondContact NZ-OE2 3Å
105G68.3Low73.2Confident15 Ų1583.5 Ų83.516%0.15542%0.422CS..  trans-63.3175.9172.600000111.8Q76 D130Q76-G105 VanDerWaalsContact O-CA 3.3Å; Q76-G105 WeakPolarHBondContact O-CA 3.44Å; G105-D130 PolarHBondContact N-OD2 2.86Å
106K65.3Low71.1Confident119 Ų11988.5 Ų88.552%0.51745%0.451SS..  trans-108.289.1165.4-73.2-173.3179.3-179.40108.6K108K106-K108 PolarHBondContact O-N 2.92Å; K106-K108 VanDerWaalsContact O-N 3.17Å
107C55.1Low68.7Low71 Ų7197.2 Ų97.248%0.4849%0.492SS..  trans-48.4123.9165.1-62.70000108.7K109 E126C107-K109 PolarHBondContact O-N 3.38Å; C107-E126 HydrophobicContact CB-CG 4.22Å; C107-E126 WeakPolarHBondContact CB-OE1 3.22Å; C107-E126 PolarHBondContact SG-O 2.85Å; C107-E126 VanDerWaalsContact SG-O 3.42Å
108K57.2Low66.6Low149 Ų149101.7 Ų101.765%0.64852%0.518SS*.  trans-77.182.2-179.5-78.9175.1-178.6148.80108.2K106 R110 E126K106-K108 PolarHBondContact O-N 2.92Å; K106-K108 VanDerWaalsContact O-N 3.17Å; K108-R110 VanDerWaalsContact C-N 3.31Å; K108-R110 PolarHBondContact O-N 3.01Å; K108-E126 PolarHBondContact N-OE1 3.01Å
109K53.3Low64.2Low194 Ų194106.2 Ų106.284%0.84354%0.542SS*.  trans-47.3101.1162.2-77.8-158.1171.9-161.50108.6C107 G111 E126C107-K109 PolarHBondContact O-N 3.38Å; K109-G111 PolarHBondContact O-N 2.89Å; K109-E126 PolarHBondContact N-OE1 3.41Å
110R51Low62.4Low232 Ų232108.2 Ų108.288%0.87556%0.562SS**  trans-54.8138.3168.3-68.4-74.7-158.9159.59.7106.3K108K108-R110 VanDerWaalsContact C-N 3.31Å; K108-R110 PolarHBondContact O-N 3.01Å
111G49.3Very low60.2Low68 Ų68115 Ų11570%0.70159%0.594SS**  trans-58.6152.1178.500000110.8K109 G113K109-G111 PolarHBondContact O-N 2.89Å; G111-G113 PolarHBondContact O-N 3.32Å
112D54.8Low58.1Low172 Ų172122.4 Ų122.492%0.9263%0.628SS**SBendtrans-43104.5176.7-174.822.5000111.3
113G48Very low56.3Low62 Ų62125.3 Ų125.364%0.63965%0.653SS**  trans-138.5112.7-169.100000108.1G111 K115G111-G113 PolarHBondContact O-N 3.32Å; G113-K115 PolarHBondContact O-N 2.92Å; G113-K115 VanDerWaalsContact O-N 3.13Å
114L51.3Low54.9Low165 Ų165130.3 Ų130.386%0.86468%0.676SS**  trans-64.5113-165.7-74.1157.9000112.5
115K59.8Low53.6Low192 Ų192130 Ų13084%0.83569%0.688SS**  trans31.4109.6152.5-61.6-179.2179.6-177.70117G113G113-K115 PolarHBondContact O-N 2.92Å; G113-K115 VanDerWaalsContact O-N 3.13Å
116L50.9Low53.1Low156 Ų156133.7 Ų133.782%0.81770%0.701SS**  trans-148.9132.4133.9-110.8167.5000110.4
117E44.8Very low52.8Low183 Ų183132.5 Ų132.586%0.85570%0.698SS**  trans46.7153.5168.6-76.8176.1110.300123
118N53.5Low53.2Low154 Ų154130 Ų13082%0.82468%0.683SS**  trans-102.782.6179.7170.794.5000107.4
119D48.3Very low54Low95 Ų95127.7 Ų127.751%0.50868%0.677SS.*  trans-90.3116.3167.6-164.4-39.1000108.6Q121 E122D119-Q121 PolarHBondContact O-N 3.08Å; D119-Q121 VanDerWaalsContact O-N 3.13Å; D119-Q121 WeakPolarHBondContact OD1-CB 3.49Å; D119-Q121 PolarHBondContact OD1-N 3.04Å; D119-E122 PolarHBondContact O-N 2.52Å
120P57.5Low55.3Low99 Ų99119.2 Ų119.264%0.64364%0.641SS**Hα-helixtrans-61.3-19.5179.226.3-34.3000112.9A123P120-A123 PolarHBondContact O-N 3.34Å
121Q51.1Low56.7Low142 Ų142108.8 Ų108.866%0.66460%0.604SS**Hα-helixtrans-76.7-20.7-177.3-161.8172-28.300113.6D119 S125D119-Q121 PolarHBondContact O-N 3.08Å; D119-Q121 VanDerWaalsContact O-N 3.13Å; D119-Q121 WeakPolarHBondContact OD1-CB 3.49Å; D119-Q121 PolarHBondContact OD1-N 3.04Å; Q121-S125 PolarHBondContact O-OG 3.23Å
122E51.3Low58.2Low155 Ų155111.6 Ų111.672%0.72460%0.599SS**Hα-helixtrans-73.8-30172.7-73.8-144.5139.500112.5D119 E124 S125 E126D119-E122 PolarHBondContact O-N 2.52Å; E122-E124 VanDerWaalsContact C-N 3.29Å; E122-E124 PolarHBondContact O-N 3.23Å; E122-S125 WeakPolarHBondContact O-CB 3.29Å; E122-S125 PolarHBondContact O-N 3.01Å; E122-E126 PolarHBondContact O-N 2.73Å
123A51.3Low59.3Low70 Ų70109.4 Ų109.458%0.57958%0.582SS**Hα-helixtrans-65.3-31.7-179.800000112.8P120 S125P120-A123 PolarHBondContact O-N 3.34Å; A123-S125 VanDerWaalsContact C-N 3.31Å
124E51.5Low61.1Low133 Ų133109.5 Ų109.562%0.62157%0.567SS**Hα-helixtrans-72.5-25.9173.3-60.2-172.4158.700112.2E122 M127E122-E124 VanDerWaalsContact C-N 3.29Å; E122-E124 PolarHBondContact O-N 3.23Å; E124-M127 HydrophobicContact CG-CE 4.3Å; E124-M127 WeakPolarHBondContact O-CB 3.31Å; E124-M127 WeakPolarHBondContact O-CG 3.24Å; E124-M127 PolarHBondContact O-N 3.03Å
125S52.4Low62.9Low105 Ų105106.5 Ų106.573%0.73455%0.552SS**Hα-helixtrans-82.8-13.6-178.6-64.30000114.7Q121 E122 A123Q121-S125 PolarHBondContact O-OG 3.23Å; E122-S125 WeakPolarHBondContact O-CB 3.29Å; E122-S125 PolarHBondContact O-N 3.01Å; A123-S125 VanDerWaalsContact C-N 3.31Å
126E57.3Low64.4Low92 Ų9297.4 Ų97.443%0.4351%0.513SS..THydrogen-bonded Turntrans-93.53.6170.2-141.7-169.2164.400113.6C107 K108 K109 E122 A128C107-E126 HydrophobicContact CB-CG 4.22Å; C107-E126 WeakPolarHBondContact CB-OE1 3.22Å; C107-E126 PolarHBondContact SG-O 2.85Å; C107-E126 VanDerWaalsContact SG-O 3.42Å; K108-E126 PolarHBondContact N-OE1 3.01Å; K109-E126 PolarHBondContact N-OE1 3.41Å; E122-E126 PolarHBondContact O-N 2.73Å; E126-A128 PolarHBondContact O-N 2.69Å
127M60.2Low66.4Low94 Ų9491 Ų9146%0.46348%0.478SS..  trans-67.7102.6172.5-64.1-174.4-179.600110.4E124 F133E124-M127 HydrophobicContact CG-CE 4.3Å; E124-M127 WeakPolarHBondContact O-CB 3.31Å; E124-M127 WeakPolarHBondContact O-CG 3.24Å; E124-M127 PolarHBondContact O-N 3.03Å; M127-F133 HydrophobicContact SD-CD2 4.46Å; M127-F133 HydrophobicContact SD-CE2 3.81Å; M127-F133 HydrophobicContact SD-CZ 3.96Å
128A63.2Low68.7Low19 Ų1988.8 Ų88.816%0.15747%0.465CS..  trans-66.3136.4176.800000110.9E126 D130E126-A128 PolarHBondContact O-N 2.69Å; A128-D130 PolarHBondContact O-N 2.79Å
129L73.6Confident70.4Confident100 Ų10087.7 Ų87.752%0.52446%0.459SS..SBendtrans-74.779.5174.8-60.6179000110.1I78 L134I78-L129 VanDerWaalsContact CG1-O 3.3Å; I78-L129 WeakPolarHBondContact CG1-O 3.32Å; I78-L129 PolarHBondContact N-O 3.49Å; L129-L134 HydrophobicContact CB-CD1 4.48Å; L129-L134 HydrophobicContact CD2-CD1 4.36Å
130D79.7Confident72.6Confident15 Ų1583.4 Ų83.48%0.0844%0.437CS..SBendtrans-125.8178.7-179.776.923.3000112.5V102 K104 G105 A128 E132 F133 L134V102-D130 WeakPolarHBondContact O-CA 3.29Å; V102-D130 WeakPolarHBondContact O-CB 3.47Å; K104-D130 WeakPolarHBondContact CA-OD2 3.43Å; G105-D130 PolarHBondContact N-OD2 2.86Å; A128-D130 PolarHBondContact O-N 2.79Å; D130-E132 PolarHBondContact OD1-N 3.36Å; D130-F133 PolarHBondContact OD1-N 2.69Å; D130-L134 WeakPolarHBondContact O-CB 3.2Å; D130-L134 PolarHBondContact O-N 3.33Å
131A80.9Confident74.5Confident13 Ų1380.1 Ų80.111%0.10741%0.414CS..THydrogen-bonded Turntrans-94.721.7-176.700000114.7R49 V101 V102 D103 V136R49-A131 PolarHBondContact NH2-O 3.42Å; V101-A131 HydrophobicContact CG1-CB 3.44Å; V101-A131 VanDerWaalsContact CG1-CB 3.44Å; V102-A131 PolarHBondContact O-N 3.04Å; D103-A131 PolarHBondContact O-N 2.89Å; A131-V136 HydrophobicContact CB-CG1 3.78Å; A131-V136 HydrophobicContact CB-CG2 4.13Å
132E80.6Confident76.7Confident127 Ų12773.4 Ų73.459%0.59338%0.382SS*.THydrogen-bonded Turntrans-96.1-30.9155.8-70.6-173.8159.400111.2D103 K104 D130D103-E132 PolarHBondContact O-N 3.4Å; K104-E132 WeakPolarHBondContact CE-OE1 3.39Å; K104-E132 IonicContact NZ-OE1 2.79Å; K104-E132 PolarHBondContact NZ-OE1 3.42Å; K104-E132 IonicContact NZ-OE2 2.76Å; K104-E132 PolarHBondContact NZ-OE2 3Å; D130-E132 PolarHBondContact OD1-N 3.36Å
133F78.9Confident78.9Confident127 Ų12766 Ų6656%0.55735%0.348SS*.THydrogen-bonded Turntrans-88.3-39.6173.2-170.9-108.3000113.9M127 D130M127-F133 HydrophobicContact SD-CD2 4.46Å; M127-F133 HydrophobicContact SD-CE2 3.81Å; M127-F133 HydrophobicContact SD-CZ 3.96Å; D130-F133 PolarHBondContact OD1-N 2.69Å
134L85.9Confident81.1Confident64 Ų6462.7 Ų62.734%0.33532%0.321SS..SBendtrans-101.4129.4-175.9-61.7177.7000112.9I78 L129 D130 V136I78-L134 HydrophobicContact CD1-CD1 4.26Å; L129-L134 HydrophobicContact CB-CD1 4.48Å; L129-L134 HydrophobicContact CD2-CD1 4.36Å; D130-L134 WeakPolarHBondContact O-CB 3.2Å; D130-L134 PolarHBondContact O-N 3.33Å; L134-V136 VanDerWaalsContact C-N 3.32Å; L134-V136 PolarHBondContact O-N 3.4Å
135D88Confident83.3Confident101 Ų10156.4 Ų56.454%0.5429%0.291SS..  trans-69.491163.1-178.75.3000110.2Y137 K138D135-Y137 PolarHBondContact O-N 2.96Å; D135-Y137 WeakPolarHBondContact OD1-CA 3.47Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.22Å; D135-Y137 PolarHBondContact OD1-N 3.43Å; D135-K138 HydrophobicContact CB-CB 4.24Å; D135-K138 PolarHBondContact O-N 2.96Å; D135-K138 PolarHBondContact OD1-N 3.39Å; D135-K138 VanDerWaalsContact OD1-N 3.08Å; D135-K138 WeakPolarHBondContact OD2-CB 3.44Å; D135-K138 PolarHBondContact OD2-N 3.01Å
136V91.1Very high85.4Confident2 Ų251.4 Ų51.41%0.01226%0.256CS..THydrogen-bonded Turntrans-65.1-23.6175.2-65.30000113K45 V47 I78 V101 A131 L134K45-V136 WeakPolarHBondContact CE-O 3.28Å; K45-V136 PolarHBondContact NZ-O 3.36Å; V47-V136 HydrophobicContact CG1-CG2 4.39Å; V47-V136 HydrophobicContact CG2-CB 4.48Å; V47-V136 WeakPolarHBondContact CG2-O 3.36Å; I78-V136 HydrophobicContact CD1-CG1 3.92Å; V101-V136 HydrophobicContact CG1-CG1 4.09Å; V101-V136 HydrophobicContact CG1-CG2 4.48Å; V101-V136 HydrophobicContact CG2-CB 4.16Å; V101-V136 HydrophobicContact CG2-CG1 3.85Å; V101-V136 HydrophobicContact CG2-CG2 4.47Å; A131-V136 HydrophobicContact CB-CG1 3.78Å; A131-V136 HydrophobicContact CB-CG2 4.13Å; L134-V136 VanDerWaalsContact C-N 3.32Å; L134-V136 PolarHBondContact O-N 3.4Å
137Y93.7Very high87.3Confident20 Ų2047 Ų478%0.07824%0.236CC..THydrogen-bonded Turntrans-83-21-178.9-55.9-49.5000113.3R49 D135 N139 C140 V143 M145 K164 V165R49-Y137 VanDerWaalsContact CD-OH 3.28Å; R49-Y137 WeakPolarHBondContact CD-OH 3.39Å; R49-Y137 PolarHBondContact NH1-OH 3.27Å; D135-Y137 PolarHBondContact O-N 2.96Å; D135-Y137 WeakPolarHBondContact OD1-CA 3.47Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.22Å; D135-Y137 PolarHBondContact OD1-N 3.43Å; Y137-N139 PolarHBondContact O-N 3.01Å; Y137-C140 WeakPolarHBondContact O-CB 3.23Å; Y137-C140 PolarHBondContact O-N 3.3Å; Y137-V143 HydrophobicContact CD1-CG2 4Å; Y137-V143 HydrophobicContact CE1-CG1 4.35Å; Y137-V143 HydrophobicContact CE1-CG2 4.07Å; Y137-M145 VanDerWaalsContact OH-CE 3.28Å; Y137-M145 WeakPolarHBondContact OH-CE 3.14Å; Y137-K164 HydrophobicContact CE2-CB 4.3Å; Y137-V165 HydrophobicContact CE1-CG2 4Å
138K92.3Very high89.1Confident137 Ų13742.5 Ų42.560%0.59621%0.214SC*.THydrogen-bonded Turntrans-50.4125.1171.6-177.9161.8-177.9175.50111.3K45 D135 C140K45-K138 PolarHBondContact NZ-O 3.27Å; D135-K138 HydrophobicContact CB-CB 4.24Å; D135-K138 PolarHBondContact O-N 2.96Å; D135-K138 PolarHBondContact OD1-N 3.39Å; D135-K138 VanDerWaalsContact OD1-N 3.08Å; D135-K138 WeakPolarHBondContact OD2-CB 3.44Å; D135-K138 PolarHBondContact OD2-N 3.01Å; K138-C140 PolarHBondContact O-N 2.99Å; K138-C140 VanDerWaalsContact O-N 3.14Å
139N90.7Very high90.7Very high131 Ų13141.6 Ų41.670%0.70121%0.206SC*.THydrogen-bonded Turntrans52.626.6-175.4-60.189.9000114.6Y137Y137-N139 PolarHBondContact O-N 3.01Å
140C94.6Very high91.8Very high5 Ų538 Ų383%0.03419%0.188CC..  trans-82.7125.9175.2-176.80000111K45 V47 Y137 K138 G142 V169K45-C140 HydrophobicContact CD-CB 4.47Å; K45-C140 PolarHBondContact O-SG 2.79Å; V47-C140 HydrophobicContact CG2-CB 4.27Å; V47-C140 VanDerWaalsContact CG2-SG 3.58Å; Y137-C140 WeakPolarHBondContact O-CB 3.23Å; Y137-C140 PolarHBondContact O-N 3.3Å; K138-C140 PolarHBondContact O-N 2.99Å; K138-C140 VanDerWaalsContact O-N 3.14Å; C140-G142 PolarHBondContact SG-O 3.32Å; C140-V169 VanDerWaalsContact O-CG2 3.31Å; C140-V169 WeakPolarHBondContact O-CG2 3.21Å
141N96Very high92.6Very high31 Ų3139.7 Ų39.717%0.16620%0.195CC..SBendtrans-86-16.2178.7-52.5104.8000113M44 K45 P170 P230M44-N141 WeakPolarHBondContact CA-OD1 3.15Å; M44-N141 HydrophobicContact CG-CB 3.71Å; K45-N141 PolarHBondContact N-OD1 3.3Å; K45-N141 PolarHBondContact O-N 2.91Å; N141-P170 WeakPolarHBondContact O-CD 3.49Å; N141-P170 WeakPolarHBondContact O-CG 3.48Å; N141-P230 HydrophobicContact CB-CB 4.3Å; N141-P230 WeakPolarHBondContact O-CB 3.49Å
142G96.9Very high93.3Very high0 Ų042.6 Ų42.60%021%0.206CC..EExtended strand (participates in β ladder)trans-173.6144.517700000114K45 I46 V47 C140 P170K45-G142 PolarHBondContact O-N 2.89Å; I46-G142 VanDerWaalsContact CA-O 3.29Å; I46-G142 WeakPolarHBondContact CA-O 3.4Å; I46-G142 WeakPolarHBondContact CD1-O 3.38Å; V47-G142 PolarHBondContact N-O 2.92Å; V47-G142 VanDerWaalsContact N-O 3.09Å; C140-G142 PolarHBondContact SG-O 3.32Å; G142-P170 WeakPolarHBondContact CA-O 3.31Å
143V97.4Very high94Very high0 Ų043.9 Ų43.90%021%0.206CC..EExtended strand (participates in β ladder)trans-112.9145.4-177.2-174.90000111.4V47 Y137 M145 V165 V169 P170 V171 C172V47-V143 HydrophobicContact CB-CG2 4.4Å; V47-V143 HydrophobicContact CG1-CG1 4.38Å; V47-V143 CarbonylContact O-C 3.56Å; V47-V143 WeakPolarHBondContact O-CA 3.34Å; Y137-V143 HydrophobicContact CD1-CG2 4Å; Y137-V143 HydrophobicContact CE1-CG1 4.35Å; Y137-V143 HydrophobicContact CE1-CG2 4.07Å; V143-M145 HydrophobicContact CG1-CE 4.26Å; V143-M145 HydrophobicContact CG1-CG 4Å; V143-V165 HydrophobicContact CB-CG1 4.34Å; V143-V165 HydrophobicContact CG2-CG1 3.74Å; V143-V169 HydrophobicContact CG2-CG1 3.89Å; V143-P170 PolarHBondContact N-O 2.86Å; V143-V171 HydrophobicContact CB-CG1 4.06Å; V143-V171 HydrophobicContact CB-CG2 4.19Å; V143-V171 HydrophobicContact CG1-CG1 4.34Å; V143-V171 CarbonylContact O-C 3.42Å; V143-V171 VanDerWaalsContact O-CA 3.31Å; V143-V171 WeakPolarHBondContact O-CA 3.35Å; V143-C172 PolarHBondContact O-N 2.93Å
144V97.9Very high94.8Very high1 Ų137.9 Ų37.91%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-115.1112.6168.4-1740000108.1I46 V47 I48 R49 L59 C172 L174 L223I46-V144 HydrophobicContact CG2-CG2 4.07Å; V47-V144 PolarHBondContact O-N 2.93Å; I48-V144 WeakPolarHBondContact CA-O 3.41Å; I48-V144 HydrophobicContact CG1-CB 4.31Å; I48-V144 HydrophobicContact CG2-CB 4.45Å; R49-V144 PolarHBondContact N-O 3.06Å; L59-V144 HydrophobicContact CD2-CG1 4.05Å; V144-C172 CarbonylContact C-O 3.53Å; V144-C172 WeakPolarHBondContact CA-O 3.4Å; V144-C172 HydrophobicContact CG2-CB 4.44Å; V144-L174 HydrophobicContact CG1-CB 4.19Å; V144-L174 HydrophobicContact CG1-CD2 4.24Å; V144-L223 HydrophobicContact CG1-CD1 4.43Å; V144-L223 HydrophobicContact CG2-CD1 3.86Å
145M97.3Very high95.3Very high0 Ų035.4 Ų35.40%017%0.166CC..EExtended strand (participates in β ladder)trans-101.8101.8-178.3-83-69.2-169.200109.5R49 Y137 V143 I158 E161 L162 V165 V171 C172 V173 L174R49-M145 HydrophobicContact CB-CE 4.31Å; R49-M145 HydrophobicContact CB-SD 3.95Å; R49-M145 HydrophobicContact CG-CE 4.41Å; R49-M145 HydrophobicContact CG-SD 4.28Å; R49-M145 WeakPolarHBondContact O-CA 3.46Å; Y137-M145 VanDerWaalsContact OH-CE 3.28Å; Y137-M145 WeakPolarHBondContact OH-CE 3.14Å; V143-M145 HydrophobicContact CG1-CE 4.26Å; V143-M145 HydrophobicContact CG1-CG 4Å; M145-I158 HydrophobicContact CB-CD1 4.08Å; M145-I158 HydrophobicContact CB-CG2 4.41Å; M145-I158 HydrophobicContact SD-CD1 4.36Å; M145-E161 HydrophobicContact CE-CB 3.86Å; M145-E161 HydrophobicContact SD-CB 4.43Å; M145-L162 HydrophobicContact CB-CD1 4.27Å; M145-L162 HydrophobicContact CG-CD1 3.81Å; M145-V165 HydrophobicContact CE-CG2 3.55Å; M145-V171 HydrophobicContact CB-CG1 4.15Å; M145-V171 HydrophobicContact CG-CG1 3.82Å; M145-C172 PolarHBondContact N-O 3.18Å; M145-V173 HydrophobicContact CB-CG2 4.33Å; M145-V173 CarbonylContact O-C 3.53Å; M145-V173 WeakPolarHBondContact O-CA 3.45Å; M145-L174 PolarHBondContact O-N 2.87Å
146M97.3Very high95.7Very high0 Ų033.8 Ų33.80%016%0.157CC..EExtended strand (participates in β ladder)trans-104131.9-167.6-160.2-174.2-148.700112.6R49 G50 K56 L59 L174 N176 M214R49-M146 PolarHBondContact O-N 2.94Å; G50-M146 VanDerWaalsContact CA-O 3.26Å; G50-M146 WeakPolarHBondContact CA-O 3.42Å; K56-M146 VanDerWaalsContact CA-SD 3.57Å; K56-M146 HydrophobicContact CB-SD 4.39Å; K56-M146 HydrophobicContact CG-CB 4.33Å; K56-M146 HydrophobicContact CG-SD 4.13Å; K56-M146 PolarHBondContact N-SD 3.08Å; K56-M146 VanDerWaalsContact N-SD 3.35Å; L59-M146 HydrophobicContact CB-CE 3.78Å; L59-M146 HydrophobicContact CB-SD 4.38Å; L59-M146 HydrophobicContact CD2-CE 4.06Å; L59-M146 HydrophobicContact CD2-SD 4.42Å; L59-M146 HydrophobicContact CG-CE 4.48Å; M146-L174 WeakPolarHBondContact CA-O 3.41Å; M146-L174 HydrophobicContact CE-CD2 3.96Å; M146-L174 HydrophobicContact CG-CB 4.42Å; M146-L174 HydrophobicContact CG-CD2 4.43Å; M146-N176 HydrophobicContact CE-CB 3.89Å; M146-N176 WeakPolarHBondContact CE-ND2 3.14Å; M146-N176 HydrophobicContact CG-CB 4.3Å; M146-M214 HydrophobicContact CE-CE 4.25Å; M146-M214 HydrophobicContact CE-CG 3.76Å; M146-M214 HydrophobicContact CE-SD 4.27Å
147F97.8Very high95.9Very high0 Ų034.3 Ų34.30%016%0.159CC..EExtended strand (participates in β ladder)trans-135.5171175.473.1-85.6000111.6I149 T154 F155 I158 V173 L174 N176 I186 V191 Y209F147-I149 HydrophobicContact CE2-CG2 3.94Å; F147-I149 HydrophobicContact CZ-CG2 4.44Å; F147-T154 WeakPolarHBondContact CB-O 3.31Å; F147-F155 HydrophobicContact CD2-CB 4.13Å; F147-F155 HydrophobicContact CD2-CD2 4.48Å; F147-F155 HydrophobicContact CE1-CD2 4.45Å; F147-F155 HydrophobicContact CE2-CD2 4.43Å; F147-F155 HydrophobicContact CZ-CD2 4.42Å; F147-I158 HydrophobicContact CB-CD1 4.16Å; F147-I158 HydrophobicContact CB-CG1 3.82Å; F147-I158 HydrophobicContact CD1-CG1 4.16Å; F147-I158 HydrophobicContact CG-CG1 4.29Å; F147-V173 HydrophobicContact CD1-CG1 4.23Å; F147-V173 HydrophobicContact CE1-CG1 3.92Å; F147-L174 PolarHBondContact N-O 2.77Å; F147-N176 WeakPolarHBondContact O-CB 3.32Å; F147-N176 PolarHBondContact O-N 2.93Å; F147-I186 HydrophobicContact CD2-CD1 3.86Å; F147-I186 HydrophobicContact CE2-CB 4.26Å; F147-I186 HydrophobicContact CE2-CD1 3.89Å; F147-I186 HydrophobicContact CE2-CG2 3.85Å; F147-I186 HydrophobicContact CZ-CG2 4.3Å; F147-V191 HydrophobicContact CE1-CG1 4.29Å; F147-V191 HydrophobicContact CZ-CG1 4.36Å; F147-V191 HydrophobicContact CZ-CG2 3.84Å; F147-Y209 AromaticContact CE1-CE2 3.92Å; F147-Y209 HydrophobicContact CE1-CE2 3.92Å; F147-Y209 AromaticContact CZ-CE2 3.9Å; F147-Y209 HydrophobicContact CZ-CE2 3.9Å
148D97.2Very high96Very high0 Ų033.3 Ų33.30%016%0.155CC..EExtended strand (participates in β ladder)trans-107.3121.7177.2179.1-20.9000110T150 K151 T154 Y177 I186D148-T150 VanDerWaalsContact CG-OG1 3.27Å; D148-T150 PolarHBondContact O-N 2.85Å; D148-T150 WeakPolarHBondContact OD1-CB 3.31Å; D148-T150 PolarHBondContact OD1-N 2.67Å; D148-T150 PolarHBondContact OD1-OG1 3.47Å; D148-T150 PolarHBondContact OD2-OG1 2.92Å; D148-K151 HydrophobicContact CB-CB 4.23Å; D148-K151 HydrophobicContact CB-CD 4.19Å; D148-K151 HydrophobicContact CB-CG 4.37Å; D148-K151 PolarHBondContact O-N 3.28Å; D148-K151 WeakPolarHBondContact OD2-CD 3.35Å; D148-K151 WeakPolarHBondContact OD2-CE 3.35Å; D148-K151 IonicContact OD2-NZ 2.68Å; D148-K151 PolarHBondContact OD2-NZ 2.76Å; D148-T154 HydrophobicContact CB-CG2 4.38Å; D148-T154 PolarHBondContact N-OG1 3.38Å; D148-T154 PolarHBondContact O-OG1 2.89Å; D148-Y177 HydrophobicContact CB-CD2 3.78Å; D148-Y177 HydrophobicContact CB-CE2 4.21Å; D148-Y177 VanDerWaalsContact OD2-CD2 3.3Å; D148-Y177 WeakPolarHBondContact OD2-CD2 3.41Å; D148-I186 VanDerWaalsContact O-CD1 3.26Å; D148-I186 WeakPolarHBondContact O-CD1 3.35Å
149I97Very high96.1Very high0 Ų029.7 Ų29.70%014%0.142CC..THydrogen-bonded Turntrans-63.6-14-176.967.4172.7000114.2F147 N176 Y177 V185 I186F147-I149 HydrophobicContact CE2-CG2 3.94Å; F147-I149 HydrophobicContact CZ-CG2 4.44Å; I149-N176 WeakPolarHBondContact CG1-O 3.18Å; I149-N176 WeakPolarHBondContact CG2-O 3.41Å; I149-N176 PolarHBondContact N-O 3.19Å; I149-Y177 WeakPolarHBondContact CD1-O 3.26Å; I149-V185 PolarHBondContact O-N 3.16Å; I149-I186 PolarHBondContact O-N 3.06Å
150T96.3Very high96.2Very high24 Ų2430.8 Ų30.815%0.14714%0.137CC..THydrogen-bonded Turntrans-93.2-8178.871.40000113D148 M180 H183 V185D148-T150 VanDerWaalsContact CG-OG1 3.27Å; D148-T150 PolarHBondContact O-N 2.85Å; D148-T150 WeakPolarHBondContact OD1-CB 3.31Å; D148-T150 PolarHBondContact OD1-N 2.67Å; D148-T150 PolarHBondContact OD1-OG1 3.47Å; D148-T150 PolarHBondContact OD2-OG1 2.92Å; T150-M180 HydrophobicContact CG2-CB 3.92Å; T150-H183 WeakPolarHBondContact CA-O 3.49Å; T150-H183 VanDerWaalsContact CB-O 3.31Å; T150-H183 WeakPolarHBondContact CB-O 3.43Å; T150-H183 HydrophobicContact CG2-CB 3.87Å; T150-H183 WeakPolarHBondContact CG2-O 3.47Å; T150-V185 WeakPolarHBondContact O-CG2 3.33Å
151K96.4Very high96.1Very high51 Ų5131.3 Ų31.322%0.22214%0.139CC..  trans-130.695.1-169.8-63.3176.3-178.8118.30112.2D148 W153 T154D148-K151 HydrophobicContact CB-CB 4.23Å; D148-K151 HydrophobicContact CB-CD 4.19Å; D148-K151 HydrophobicContact CB-CG 4.37Å; D148-K151 PolarHBondContact O-N 3.28Å; D148-K151 WeakPolarHBondContact OD2-CD 3.35Å; D148-K151 WeakPolarHBondContact OD2-CE 3.35Å; D148-K151 IonicContact OD2-NZ 2.68Å; D148-K151 PolarHBondContact OD2-NZ 2.76Å; K151-W153 HydrophobicContact CB-CD2 4.06Å; K151-W153 HydrophobicContact CB-CE3 4.2Å; K151-W153 HydrophobicContact CB-CH2 3.99Å; K151-W153 HydrophobicContact CB-CZ2 3.83Å; K151-W153 HydrophobicContact CB-CZ3 4.15Å; K151-W153 HydrophobicContact CD-CH2 4.09Å; K151-W153 HydrophobicContact CD-CZ2 3.54Å; K151-W153 HydrophobicContact CG-CH2 3.7Å; K151-W153 HydrophobicContact CG-CZ2 3.63Å; K151-W153 HydrophobicContact CG-CZ3 4.29Å; K151-W153 PolarHBondContact O-N 3.33Å; K151-W153 VanDerWaalsContact O-N 3.08Å; K151-T154 HydrophobicContact CB-CG2 3.7Å; K151-T154 HydrophobicContact CD-CG2 4.18Å; K151-T154 WeakPolarHBondContact O-CB 3.3Å; K151-T154 PolarHBondContact O-N 2.92Å; K151-T154 PolarHBondContact O-OG1 3.07Å
152Q96.2Very high96Very high74 Ų7429.9 Ų29.935%0.34613%0.131SC..Hα-helixtrans-49.4-39.4-178.1-166.567.414.500113.8T154 F155 N156 V185Q152-T154 VanDerWaalsContact C-N 3.26Å; Q152-T154 PolarHBondContact O-N 2.89Å; Q152-F155 PolarHBondContact O-N 3.03Å; Q152-F155 VanDerWaalsContact O-N 3.08Å; Q152-N156 PolarHBondContact O-N 3.4Å; Q152-N156 PolarHBondContact O-OD1 2.83Å; Q152-V185 HydrophobicContact CB-CG1 4.24Å
153W95.3Very high95.7Very high154 Ų15433.8 Ų33.858%0.58316%0.156SC*.Hα-helixtrans-64.1-30-179.663.888.9000113.2D51 K151 F155 N156 Y157D51-W153 VanDerWaalsContact OD2-CD1 3.31Å; K151-W153 HydrophobicContact CB-CD2 4.06Å; K151-W153 HydrophobicContact CB-CE3 4.2Å; K151-W153 HydrophobicContact CB-CH2 3.99Å; K151-W153 HydrophobicContact CB-CZ2 3.83Å; K151-W153 HydrophobicContact CB-CZ3 4.15Å; K151-W153 HydrophobicContact CD-CH2 4.09Å; K151-W153 HydrophobicContact CD-CZ2 3.54Å; K151-W153 HydrophobicContact CG-CH2 3.7Å; K151-W153 HydrophobicContact CG-CZ2 3.63Å; K151-W153 HydrophobicContact CG-CZ3 4.29Å; K151-W153 PolarHBondContact O-N 3.33Å; K151-W153 VanDerWaalsContact O-N 3.08Å; W153-F155 VanDerWaalsContact C-N 3.31Å; W153-F155 PolarHBondContact O-N 2.92Å; W153-N156 PolarHBondContact O-N 3.35Å; W153-Y157 PolarHBondContact O-N 3.23Å
154T96.1Very high95.4Very high0 Ų039.5 Ų39.50%018%0.181CC..Hα-helixtrans-72.7-25.217672.70000112.1D51 T54 F147 D148 K151 Q152 I158D51-T154 HydrophobicContact CB-CG2 4.1Å; T54-T154 HydrophobicContact CG2-CG2 3.87Å; F147-T154 WeakPolarHBondContact CB-O 3.31Å; D148-T154 HydrophobicContact CB-CG2 4.38Å; D148-T154 PolarHBondContact N-OG1 3.38Å; D148-T154 PolarHBondContact O-OG1 2.89Å; K151-T154 HydrophobicContact CB-CG2 3.7Å; K151-T154 HydrophobicContact CD-CG2 4.18Å; K151-T154 WeakPolarHBondContact O-CB 3.3Å; K151-T154 PolarHBondContact O-N 2.92Å; K151-T154 PolarHBondContact O-OG1 3.07Å; Q152-T154 VanDerWaalsContact C-N 3.26Å; Q152-T154 PolarHBondContact O-N 2.89Å; T154-I158 WeakPolarHBondContact O-CG1 3.41Å
155F96.6Very high95.2Very high12 Ų1239.7 Ų39.75%0.05318%0.182CC..Hα-helixtrans-79.7-40.1169.1179.1-120000111.4F147 Q152 W153 Y157 I158 L159 I186 V191 F194F147-F155 HydrophobicContact CD2-CB 4.13Å; F147-F155 HydrophobicContact CD2-CD2 4.48Å; F147-F155 HydrophobicContact CE1-CD2 4.45Å; F147-F155 HydrophobicContact CE2-CD2 4.43Å; F147-F155 HydrophobicContact CZ-CD2 4.42Å; Q152-F155 PolarHBondContact O-N 3.03Å; Q152-F155 VanDerWaalsContact O-N 3.08Å; W153-F155 VanDerWaalsContact C-N 3.31Å; W153-F155 PolarHBondContact O-N 2.92Å; F155-Y157 PolarHBondContact O-N 3Å; F155-Y157 VanDerWaalsContact O-N 3.16Å; F155-I158 HydrophobicContact CD2-CB 4.39Å; F155-I158 WeakPolarHBondContact O-CA 3.36Å; F155-I158 WeakPolarHBondContact O-CB 3.13Å; F155-I158 PolarHBondContact O-N 3.04Å; F155-L159 HydrophobicContact CD1-CD2 4.47Å; F155-L159 HydrophobicContact CE1-CD1 4.45Å; F155-L159 HydrophobicContact CE1-CD2 3.84Å; F155-L159 HydrophobicContact CE1-CG 4.34Å; F155-L159 HydrophobicContact CE2-CD2 4.12Å; F155-L159 HydrophobicContact CZ-CD2 3.64Å; F155-L159 HydrophobicContact CZ-CG 4.5Å; F155-L159 PolarHBondContact O-N 3.13Å; F155-I186 HydrophobicContact CB-CD1 3.57Å; F155-I186 HydrophobicContact CB-CG1 3.98Å; F155-I186 HydrophobicContact CD1-CG1 4.49Å; F155-I186 HydrophobicContact CD1-CG2 4.21Å; F155-I186 HydrophobicContact CG-CD1 4.43Å; F155-I186 HydrophobicContact CG-CG1 4.42Å; F155-I186 HydrophobicContact CG-CG2 4.16Å; F155-V191 HydrophobicContact CD2-CG2 4.26Å; F155-V191 HydrophobicContact CE2-CB 4.27Å; F155-V191 HydrophobicContact CE2-CG1 4.09Å; F155-V191 HydrophobicContact CE2-CG2 3.75Å; F155-V191 HydrophobicContact CZ-CB 4.45Å; F155-V191 HydrophobicContact CZ-CG2 3.96Å; F155-F194 HydrophobicContact CE2-CD1 4.43Å; F155-F194 HydrophobicContact CZ-CB 4.38Å; F155-F194 HydrophobicContact CZ-CD1 4.26Å
156N96.1Very high94.9Very high68 Ų6841.8 Ų41.836%0.36420%0.196SC..Hα-helixtrans-58-28172.2-64.9-7.5000112.7Q152 W153Q152-N156 PolarHBondContact O-N 3.4Å; Q152-N156 PolarHBondContact O-OD1 2.83Å; W153-N156 PolarHBondContact O-N 3.35Å
157Y95.6Very high94.6Very high12 Ų1245 Ų455%0.04722%0.215CC..Hα-helixtrans-61.6-49.2167.4170.9-73.5000111.3R49 G50 D51 D103 W153 F155 L159 R160 E161R49-Y157 HydrophobicContact CG-CE1 4.46Å; R49-Y157 WeakPolarHBondContact CG-OH 3.08Å; G50-Y157 VanDerWaalsContact C-CE1 3.45Å; G50-Y157 PolarHBondContact N-OH 2.91Å; G50-Y157 VanDerWaalsContact N-OH 3.14Å; G50-Y157 PolarHBondContact O-OH 3.45Å; D51-Y157 HydrophobicContact CB-CD2 3.9Å; D51-Y157 HydrophobicContact CB-CE2 4.45Å; D51-Y157 HydrophobicContact CB-CG 3.94Å; D103-Y157 PolarHBondContact OD1-OH 3.12Å; D103-Y157 VanDerWaalsContact OD2-CE2 3.29Å; D103-Y157 WeakPolarHBondContact OD2-CE2 3.37Å; D103-Y157 PolarHBondContact OD2-OH 2.59Å; W153-Y157 PolarHBondContact O-N 3.23Å; F155-Y157 PolarHBondContact O-N 3Å; F155-Y157 VanDerWaalsContact O-N 3.16Å; Y157-L159 VanDerWaalsContact C-N 3.28Å; Y157-L159 PolarHBondContact O-N 2.92Å; Y157-R160 PolarHBondContact O-N 3.26Å; Y157-E161 HydrophobicContact CD1-CG 4.02Å; Y157-E161 HydrophobicContact CD2-CG 4.47Å; Y157-E161 HydrophobicContact CE1-CB 4.07Å; Y157-E161 HydrophobicContact CE1-CG 3.6Å; Y157-E161 HydrophobicContact CE2-CG 4.15Å; Y157-E161 HydrophobicContact CG-CG 4.41Å; Y157-E161 PolarHBondContact O-N 3.48Å
158I95.3Very high94.3Very high0 Ų050.8 Ų50.80%024%0.242CC..Hα-helixtrans-60.3-39.8179.8-50.2-65.5000110.5M145 F147 T154 F155 R160 E161 L162 V173M145-I158 HydrophobicContact CB-CD1 4.08Å; M145-I158 HydrophobicContact CB-CG2 4.41Å; M145-I158 HydrophobicContact SD-CD1 4.36Å; F147-I158 HydrophobicContact CB-CD1 4.16Å; F147-I158 HydrophobicContact CB-CG1 3.82Å; F147-I158 HydrophobicContact CD1-CG1 4.16Å; F147-I158 HydrophobicContact CG-CG1 4.29Å; T154-I158 WeakPolarHBondContact O-CG1 3.41Å; F155-I158 HydrophobicContact CD2-CB 4.39Å; F155-I158 WeakPolarHBondContact O-CA 3.36Å; F155-I158 WeakPolarHBondContact O-CB 3.13Å; F155-I158 PolarHBondContact O-N 3.04Å; I158-R160 PolarHBondContact O-N 3.18Å; I158-R160 VanDerWaalsContact O-N 3.13Å; I158-E161 PolarHBondContact O-N 3.04Å; I158-L162 HydrophobicContact CG2-CB 4.07Å; I158-L162 HydrophobicContact CG2-CD2 4.24Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 PolarHBondContact O-N 3.26Å; I158-V173 HydrophobicContact CG2-CG1 4.35Å
159L93.6Very high94.2Very high61 Ų6150.9 Ų50.932%0.31924%0.243SC..Hα-helixtrans-55.4-30.8176.4-57.8-175.9000113.1F155 Y157 P163 F194F155-L159 HydrophobicContact CD1-CD2 4.47Å; F155-L159 HydrophobicContact CE1-CD1 4.45Å; F155-L159 HydrophobicContact CE1-CD2 3.84Å; F155-L159 HydrophobicContact CE1-CG 4.34Å; F155-L159 HydrophobicContact CE2-CD2 4.12Å; F155-L159 HydrophobicContact CZ-CD2 3.64Å; F155-L159 HydrophobicContact CZ-CG 4.5Å; F155-L159 PolarHBondContact O-N 3.13Å; Y157-L159 VanDerWaalsContact C-N 3.28Å; Y157-L159 PolarHBondContact O-N 2.92Å; L159-P163 WeakPolarHBondContact O-CD 3.37Å; L159-F194 HydrophobicContact CB-CZ 4.39Å; L159-F194 HydrophobicContact CD2-CD1 3.53Å; L159-F194 HydrophobicContact CD2-CD2 3.72Å; L159-F194 HydrophobicContact CD2-CE1 3.46Å; L159-F194 VanDerWaalsContact CD2-CE1 3.46Å; L159-F194 HydrophobicContact CD2-CE2 3.68Å; L159-F194 HydrophobicContact CD2-CG 3.66Å; L159-F194 HydrophobicContact CD2-CZ 3.55Å
160R93.9Very high94.1Very high154 Ų15451 Ų5158%0.58124%0.243SC*.Hα-helixtrans-91.3-33.9179.7-59.9-178.9-52-139.7-1.2113.7Y157 I158 K164Y157-R160 PolarHBondContact O-N 3.26Å; I158-R160 PolarHBondContact O-N 3.18Å; I158-R160 VanDerWaalsContact O-N 3.13Å; R160-K164 WeakPolarHBondContact O-CE 3.42Å
161E92.9Very high94.1Very high16 Ų1649.8 Ų49.88%0.07524%0.236CC..Hα-helixtrans-92.2-28.1-174.3-59.1-48.712400113.6R49 M145 Y157 I158 K164R49-E161 IonicContact CZ-OE2 2.82Å; M145-E161 HydrophobicContact CE-CB 3.86Å; M145-E161 HydrophobicContact SD-CB 4.43Å; Y157-E161 HydrophobicContact CD1-CG 4.02Å; Y157-E161 HydrophobicContact CD2-CG 4.47Å; Y157-E161 HydrophobicContact CE1-CB 4.07Å; Y157-E161 HydrophobicContact CE1-CG 3.6Å; Y157-E161 HydrophobicContact CE2-CG 4.15Å; Y157-E161 HydrophobicContact CG-CG 4.41Å; Y157-E161 PolarHBondContact O-N 3.48Å; I158-E161 PolarHBondContact O-N 3.04Å; E161-K164 WeakPolarHBondContact O-CB 3.26Å; E161-K164 PolarHBondContact O-N 3.08Å; E161-K164 IonicContact OE1-NZ 3.21Å; E161-K164 PolarHBondContact OE1-NZ 2.89Å; E161-K164 WeakPolarHBondContact OE2-CD 3.39Å; E161-K164 WeakPolarHBondContact OE2-CE 3.4Å; E161-K164 IonicContact OE2-NZ 2.62Å; E161-K164 PolarHBondContact OE2-NZ 2.92Å
162L92.8Very high94.1Very high0 Ų047.4 Ų47.40%023%0.226CC..G310 helixtrans-63.5-39-179.6-164.368.3000113.6M145 I158 K164 V165 V171 V173 F194 I195 L198 F207M145-L162 HydrophobicContact CB-CD1 4.27Å; M145-L162 HydrophobicContact CG-CD1 3.81Å; I158-L162 HydrophobicContact CG2-CB 4.07Å; I158-L162 HydrophobicContact CG2-CD2 4.24Å; I158-L162 WeakPolarHBondContact O-CB 3.29Å; I158-L162 PolarHBondContact O-N 3.26Å; L162-K164 PolarHBondContact O-N 3.44Å; L162-V165 PolarHBondContact O-N 3.24Å; L162-V171 HydrophobicContact CD1-CB 4.4Å; L162-V171 HydrophobicContact CD1-CG1 3.71Å; L162-V173 HydrophobicContact CD1-CG2 3.95Å; L162-V173 HydrophobicContact CD2-CG2 3.99Å; L162-F194 HydrophobicContact CD2-CD1 4.48Å; L162-F194 HydrophobicContact CD2-CE1 3.74Å; L162-F194 HydrophobicContact CD2-CZ 4.49Å; L162-I195 HydrophobicContact CD2-CG1 4.39Å; L162-L198 HydrophobicContact CD2-CD1 3.66Å; L162-L198 HydrophobicContact CG-CD1 4.23Å; L162-F207 HydrophobicContact CD1-CD1 4.21Å; L162-F207 HydrophobicContact CD1-CE1 3.59Å; L162-F207 HydrophobicContact CD1-CZ 4.44Å; L162-F207 HydrophobicContact CD2-CD1 4.41Å; L162-F207 HydrophobicContact CD2-CE1 4.05Å; L162-F207 HydrophobicContact CD2-CZ 4.48Å; L162-F207 HydrophobicContact CG-CD1 4.49Å; L162-F207 HydrophobicContact CG-CE1 3.72Å; L162-F207 HydrophobicContact CG-CZ 4.13Å
163P91Very high94.2Very high83 Ų8343.9 Ų43.954%0.53921%0.209SC..G310 helixtrans-65.4-19.7174.5-22.735.5000114.3L159 V165 L198L159-P163 WeakPolarHBondContact O-CD 3.37Å; P163-V165 VanDerWaalsContact C-N 3.31Å; P163-L198 HydrophobicContact CG-CD2 4.46Å
164K91.4Very high94.3Very high119 Ų11936.6 Ų36.652%0.51718%0.182SC..G310 helixtrans-80.6-10.1178.5-52.6-177.3-165.7165.60113.3Y137 R160 E161 L162Y137-K164 HydrophobicContact CE2-CB 4.3Å; R160-K164 WeakPolarHBondContact O-CE 3.42Å; E161-K164 WeakPolarHBondContact O-CB 3.26Å; E161-K164 PolarHBondContact O-N 3.08Å; E161-K164 IonicContact OE1-NZ 3.21Å; E161-K164 PolarHBondContact OE1-NZ 2.89Å; E161-K164 WeakPolarHBondContact OE2-CD 3.39Å; E161-K164 WeakPolarHBondContact OE2-CE 3.4Å; E161-K164 IonicContact OE2-NZ 2.62Å; E161-K164 PolarHBondContact OE2-NZ 2.92Å; L162-K164 PolarHBondContact O-N 3.44Å
165V92.8Very high94.4Very high5 Ų536.6 Ų36.63%0.0318%0.182CC..SBendtrans-78.7126.5-178.7-173.40000109.7Y137 V143 M145 L162 P163 V169 V171 R200Y137-V165 HydrophobicContact CE1-CG2 4Å; V143-V165 HydrophobicContact CB-CG1 4.34Å; V143-V165 HydrophobicContact CG2-CG1 3.74Å; M145-V165 HydrophobicContact CE-CG2 3.55Å; L162-V165 PolarHBondContact O-N 3.24Å; P163-V165 VanDerWaalsContact C-N 3.31Å; V165-V169 HydrophobicContact CG1-CB 4.21Å; V165-V169 HydrophobicContact CG1-CG1 4.4Å; V165-V171 HydrophobicContact CB-CG2 4.2Å; V165-V171 HydrophobicContact CG1-CG2 3.62Å; V165-V171 HydrophobicContact CG2-CG2 4.5Å; V165-R200 PolarHBondContact O-NH2 3.43Å
166P92.4Very high94.4Very high44 Ų4436.1 Ų36.129%0.28618%0.18SC..  trans-54.3145.2-176.7-26.733.8000113.9H168 V169 R200P166-H168 PolarHBondContact O-N 3Å; P166-V169 HydrophobicContact CB-CG2 4.04Å; P166-V169 HydrophobicContact CG-CG2 4.41Å; P166-V169 PolarHBondContact O-N 3.27Å; P166-R200 PolarHBondContact O-NH2 3.09Å
167T91Very high94.4Very high67 Ų6735.6 Ų35.641%0.41117%0.173SC..THydrogen-bonded Turntrans-62.1-25.6-171.546.40000114.5R200 P201 S204 S205T167-R200 PolarHBondContact O-NH1 3.14Å; T167-P201 HydrophobicContact CG2-CG 4.18Å; T167-S204 WeakPolarHBondContact O-CA 3.43Å; T167-S205 PolarHBondContact O-N 2.79Å; T167-S205 PolarHBondContact O-OG 2.97Å
168H90.4Very high94.4Very high123 Ų12339.5 Ų39.557%0.56919%0.188SC*.THydrogen-bonded Turntrans-85.1-14.7177.563.2-95.5000113.9P166 S205 Q233P166-H168 PolarHBondContact O-N 3Å; H168-S205 VanDerWaalsContact O-CB 3.29Å; H168-S205 WeakPolarHBondContact O-CB 3.41Å; H168-Q233 PolarHBondContact O-NE2 2.8Å
169V94.4Very high94.4Very high2 Ų242.6 Ų42.61%0.01221%0.205CC..SBendtrans-92.1118.1-174.2-175.70000110.3C140 V143 V165 P166 S205C140-V169 VanDerWaalsContact O-CG2 3.31Å; C140-V169 WeakPolarHBondContact O-CG2 3.21Å; V143-V169 HydrophobicContact CG2-CG1 3.89Å; V165-V169 HydrophobicContact CG1-CB 4.21Å; V165-V169 HydrophobicContact CG1-CG1 4.4Å; P166-V169 HydrophobicContact CB-CG2 4.04Å; P166-V169 HydrophobicContact CG-CG2 4.41Å; P166-V169 PolarHBondContact O-N 3.27Å; V169-S205 PolarHBondContact N-OG 3.29Å; V169-S205 PolarHBondContact O-OG 2.89Å
170P95.4Very high94.4Very high1 Ų143.5 Ų43.51%0.00621%0.208CC..  trans-68.5147.6179.729.4-36.7000111.5N141 G142 V143 F226 I229 P230 Q233N141-P170 WeakPolarHBondContact O-CD 3.49Å; N141-P170 WeakPolarHBondContact O-CG 3.48Å; G142-P170 WeakPolarHBondContact CA-O 3.31Å; V143-P170 PolarHBondContact N-O 2.86Å; P170-F226 HydrophobicContact CB-CE2 4.46Å; P170-F226 HydrophobicContact CB-CZ 4.23Å; P170-I229 HydrophobicContact CB-CG2 3.77Å; P170-I229 HydrophobicContact CG-CG2 4.17Å; P170-P230 HydrophobicContact CG-CB 3.91Å; P170-Q233 VanDerWaalsContact CG-OE1 3.27Å
171V96.1Very high94.3Very high0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-133.4127.7-174.6-168.40000113V143 M145 L162 V165 V173 Y206 F207 R208V143-V171 HydrophobicContact CB-CG1 4.06Å; V143-V171 HydrophobicContact CB-CG2 4.19Å; V143-V171 HydrophobicContact CG1-CG1 4.34Å; V143-V171 CarbonylContact O-C 3.42Å; V143-V171 VanDerWaalsContact O-CA 3.31Å; V143-V171 WeakPolarHBondContact O-CA 3.35Å; M145-V171 HydrophobicContact CB-CG1 4.15Å; M145-V171 HydrophobicContact CG-CG1 3.82Å; L162-V171 HydrophobicContact CD1-CB 4.4Å; L162-V171 HydrophobicContact CD1-CG1 3.71Å; V165-V171 HydrophobicContact CB-CG2 4.2Å; V165-V171 HydrophobicContact CG1-CG2 3.62Å; V165-V171 HydrophobicContact CG2-CG2 4.5Å; V171-V173 HydrophobicContact CG1-CG2 4.46Å; V171-Y206 PolarHBondContact N-O 2.81Å; V171-Y206 VanDerWaalsContact N-O 3.07Å; V171-F207 HydrophobicContact CB-CD1 3.75Å; V171-F207 HydrophobicContact CB-CE1 3.83Å; V171-F207 HydrophobicContact CG1-CE1 4.48Å; V171-F207 HydrophobicContact CG2-CD1 4.2Å; V171-F207 HydrophobicContact CG2-CE1 3.82Å; V171-R208 PolarHBondContact O-N 2.78Å
172C97.1Very high94.4Very high0 Ų045.5 Ų45.50%023%0.231CC..EExtended strand (participates in β ladder)trans-96.9107.3170.8-172.70000109.7V143 V144 M145 R208 L223 F226V143-C172 PolarHBondContact O-N 2.93Å; V144-C172 CarbonylContact C-O 3.53Å; V144-C172 WeakPolarHBondContact CA-O 3.4Å; V144-C172 HydrophobicContact CG2-CB 4.44Å; M145-C172 PolarHBondContact N-O 3.18Å; C172-R208 CarbonylContact C-O 3.51Å; C172-R208 WeakPolarHBondContact CA-O 3.49Å; C172-L223 HydrophobicContact CB-CD1 4.24Å; C172-F226 HydrophobicContact CB-CD1 3.69Å; C172-F226 HydrophobicContact CB-CD2 3.83Å; C172-F226 HydrophobicContact CB-CE1 3.62Å; C172-F226 HydrophobicContact CB-CE2 3.76Å; C172-F226 HydrophobicContact CB-CG 3.8Å; C172-F226 HydrophobicContact CB-CZ 3.67Å
173V97.4Very high94.5Very high1 Ų151.1 Ų51.11%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-84.6118.2172.8-178.30000108.2M145 F147 I158 L162 V171 V191 I195 R208 Y209 A210M145-V173 HydrophobicContact CB-CG2 4.33Å; M145-V173 CarbonylContact O-C 3.53Å; M145-V173 WeakPolarHBondContact O-CA 3.45Å; F147-V173 HydrophobicContact CD1-CG1 4.23Å; F147-V173 HydrophobicContact CE1-CG1 3.92Å; I158-V173 HydrophobicContact CG2-CG1 4.35Å; L162-V173 HydrophobicContact CD1-CG2 3.95Å; L162-V173 HydrophobicContact CD2-CG2 3.99Å; V171-V173 HydrophobicContact CG1-CG2 4.46Å; V173-V191 HydrophobicContact CG1-CG1 4.1Å; V173-I195 HydrophobicContact CB-CD1 3.96Å; V173-I195 HydrophobicContact CG1-CD1 4.37Å; V173-I195 HydrophobicContact CG2-CD1 3.84Å; V173-I195 HydrophobicContact CG2-CG1 4.44Å; V173-R208 PolarHBondContact N-O 2.82Å; V173-Y209 HydrophobicContact CB-CD2 4.36Å; V173-Y209 HydrophobicContact CG1-CD2 4.17Å; V173-Y209 WeakPolarHBondContact O-CA 3.44Å; V173-Y209 VanDerWaalsContact O-CD2 3.3Å; V173-Y209 WeakPolarHBondContact O-CD2 3.13Å; V173-A210 PolarHBondContact O-N 2.74Å
174L97.7Very high94.7Very high1 Ų149.4 Ų49.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-120.7103.3-165.8-161.674.9000111.6L59 V144 M145 M146 F147 N176 A210 S212L59-L174 HydrophobicContact CD2-CD2 3.92Å; V144-L174 HydrophobicContact CG1-CB 4.19Å; V144-L174 HydrophobicContact CG1-CD2 4.24Å; M145-L174 PolarHBondContact O-N 2.87Å; M146-L174 WeakPolarHBondContact CA-O 3.41Å; M146-L174 HydrophobicContact CE-CD2 3.96Å; M146-L174 HydrophobicContact CG-CB 4.42Å; M146-L174 HydrophobicContact CG-CD2 4.43Å; F147-L174 PolarHBondContact N-O 2.77Å; L174-N176 PolarHBondContact O-N 3.44Å; L174-A210 WeakPolarHBondContact CA-O 3.39Å; L174-A210 HydrophobicContact CD1-CB 4.07Å; L174-S212 WeakPolarHBondContact CG-OG 3.28Å
175G97.6Very high95Very high0 Ų047.7 Ų47.70%024%0.239CC..EExtended strand (participates in β ladder)trans-8199.3175.400000111.2A210 E211 S212G175-A210 PolarHBondContact N-O 3.26Å; G175-E211 CarbonylContact O-C 3.51Å; G175-E211 WeakPolarHBondContact O-CA 3.28Å; G175-S212 PolarHBondContact O-N 2.82Å
176N97Very high95.2Very high2 Ų247.5 Ų47.51%0.01124%0.237CC..EExtended strand (participates in β ladder)trans-84.2176.7-178.3-165.122.8000112.6T54 M146 F147 I149 L174 R178 S212 S213 M214T54-N176 PolarHBondContact O-ND2 3.39Å; M146-N176 HydrophobicContact CE-CB 3.89Å; M146-N176 WeakPolarHBondContact CE-ND2 3.14Å; M146-N176 HydrophobicContact CG-CB 4.3Å; F147-N176 WeakPolarHBondContact O-CB 3.32Å; F147-N176 PolarHBondContact O-N 2.93Å; I149-N176 WeakPolarHBondContact CG1-O 3.18Å; I149-N176 WeakPolarHBondContact CG2-O 3.41Å; I149-N176 PolarHBondContact N-O 3.19Å; L174-N176 PolarHBondContact O-N 3.44Å; N176-R178 VanDerWaalsContact C-N 3.35Å; N176-S212 CarbonylContact C-O 3.48Å; N176-S212 WeakPolarHBondContact CA-O 3.39Å; N176-S212 WeakPolarHBondContact CA-OG 3.32Å; N176-S212 PolarHBondContact OD1-O 2.88Å; N176-S212 PolarHBondContact OD1-OG 3.29Å; N176-S213 WeakPolarHBondContact OD1-CA 3.28Å; N176-M214 PolarHBondContact OD1-N 3.07Å
177Y96Very high95.3Very high56 Ų5649.8 Ų49.822%0.2225%0.247CC..  trans63.833.4-175.7-62.7-88000113.8N53 D148 I149 D179 M180 S212N53-Y177 WeakPolarHBondContact O-CE2 3.45Å; N53-Y177 PolarHBondContact O-OH 3.34Å; D148-Y177 HydrophobicContact CB-CD2 3.78Å; D148-Y177 HydrophobicContact CB-CE2 4.21Å; D148-Y177 VanDerWaalsContact OD2-CD2 3.3Å; D148-Y177 WeakPolarHBondContact OD2-CD2 3.41Å; I149-Y177 WeakPolarHBondContact CD1-O 3.26Å; Y177-D179 WeakPolarHBondContact CA-OD1 3.27Å; Y177-D179 PolarHBondContact O-N 3.03Å; Y177-D179 VanDerWaalsContact O-N 3.15Å; Y177-M180 HydrophobicContact CD1-SD 3.98Å; Y177-M180 WeakPolarHBondContact O-CA 3.39Å; Y177-M180 PolarHBondContact O-N 3.18Å; Y177-S212 PolarHBondContact N-O 3.39Å
178R95.8Very high95.5Very high94 Ų9448.1 Ų48.136%0.35524%0.237SC..G310 helixtrans-60.7-22.2177-170.649.8158137.6-13.8114.2N176 M180 G181 E211 S212 F218N176-R178 VanDerWaalsContact C-N 3.35Å; R178-M180 VanDerWaalsContact C-N 3.28Å; R178-G181 PolarHBondContact O-N 3.11Å; R178-E211 HydrophobicContact CG-CB 4.21Å; R178-E211 IonicContact CZ-OE1 2.74Å; R178-E211 IonicContact CZ-OE2 3.2Å; R178-E211 IonicContact NE-OE1 2.65Å; R178-E211 PolarHBondContact NE-OE1 2.98Å; R178-E211 IonicContact NE-OE2 3.26Å; R178-E211 PolarHBondContact NE-OE2 2.92Å; R178-E211 IonicContact NH2-OE1 2.62Å; R178-E211 PolarHBondContact NH2-OE1 3.06Å; R178-E211 VanDerWaalsContact NH2-OE1 3.13Å; R178-E211 IonicContact NH2-OE2 2.72Å; R178-E211 PolarHBondContact NH2-OE2 3.13Å; R178-S212 WeakPolarHBondContact CB-O 3.42Å; R178-S212 PolarHBondContact N-O 2.84Å; R178-F218 HydrophobicContact CB-CD1 4.5Å; R178-F218 HydrophobicContact CG-CD1 4.45Å; R178-F218 HydrophobicContact CG-CE1 4.35Å
179D95.4Very high95.7Very high66 Ų6643.5 Ų43.535%0.35322%0.222SC..G310 helixtrans-67.2-23.7169.754.3-59.2000113.6Y177 G181 S213Y177-D179 WeakPolarHBondContact CA-OD1 3.27Å; Y177-D179 PolarHBondContact O-N 3.03Å; Y177-D179 VanDerWaalsContact O-N 3.15Å; D179-G181 VanDerWaalsContact C-N 3.3Å; D179-G181 PolarHBondContact O-N 2.87Å; D179-S213 WeakPolarHBondContact OD1-CB 3.41Å; D179-S213 PolarHBondContact OD1-OG 3.34Å
180M94.3Very high95.7Very high80 Ų8046.6 Ų46.639%0.39424%0.239SC..G310 helixtrans-94.827.4173.3-60.2-174.265.900112.3T150 Y177 R178 E182 H183T150-M180 HydrophobicContact CG2-CB 3.92Å; Y177-M180 HydrophobicContact CD1-SD 3.98Å; Y177-M180 WeakPolarHBondContact O-CA 3.39Å; Y177-M180 PolarHBondContact O-N 3.18Å; R178-M180 VanDerWaalsContact C-N 3.28Å; M180-E182 PolarHBondContact O-N 3.2Å; M180-H183 PolarHBondContact O-N 2.72Å
181G91.4Very high95.6Very high25 Ų2546.6 Ų46.626%0.25824%0.239SC..G310 helixtrans-59.5-16.3-170.600000116.6R178 D179 H183 R184R178-G181 PolarHBondContact O-N 3.11Å; D179-G181 VanDerWaalsContact C-N 3.3Å; D179-G181 PolarHBondContact O-N 2.87Å; G181-H183 VanDerWaalsContact C-N 3.33Å; G181-R184 WeakPolarHBondContact O-CB 3.4Å; G181-R184 PolarHBondContact O-N 2.68Å
182E93.9Very high95.5Very high186 Ų18653 Ų5387%0.86926%0.263SS*.G310 helixtrans-69.7-30.2171.2-63.1175.1168.500112.5M180 R184M180-E182 PolarHBondContact O-N 3.2Å; E182-R184 VanDerWaalsContact C-N 3.25Å; E182-R184 PolarHBondContact O-N 3.27Å
183H95.3Very high95.3Very high118 Ų11857.4 Ų57.455%0.54629%0.287SS..G310 helixtrans-9220177.7-59.979.9000111.8T150 M180 G181 V185T150-H183 WeakPolarHBondContact CA-O 3.49Å; T150-H183 VanDerWaalsContact CB-O 3.31Å; T150-H183 WeakPolarHBondContact CB-O 3.43Å; T150-H183 HydrophobicContact CG2-CB 3.87Å; T150-H183 WeakPolarHBondContact CG2-O 3.47Å; M180-H183 PolarHBondContact O-N 2.72Å; G181-H183 VanDerWaalsContact C-N 3.33Å; H183-V185 PolarHBondContact O-N 2.74Å
184R96.5Very high95Very high48 Ų4859.7 Ų59.718%0.18130%0.297CS..  trans-64.9127.5-179.1165.1162.3-76.9-174.9-7.4110.9G181 E182 I186 L187 E211G181-R184 WeakPolarHBondContact O-CB 3.4Å; G181-R184 PolarHBondContact O-N 2.68Å; E182-R184 VanDerWaalsContact C-N 3.25Å; E182-R184 PolarHBondContact O-N 3.27Å; R184-I186 VanDerWaalsContact CD-O 3.27Å; R184-I186 WeakPolarHBondContact CD-O 3.29Å; R184-I186 VanDerWaalsContact CG-O 3.28Å; R184-I186 WeakPolarHBondContact CG-O 3.36Å; R184-I186 PolarHBondContact NE-O 3.27Å; R184-L187 HydrophobicContact CG-CD2 4.44Å; R184-E211 IonicContact CZ-OE1 3.3Å; R184-E211 IonicContact NH1-OE1 3.39Å; R184-E211 PolarHBondContact NH1-OE1 3.4Å; R184-E211 IonicContact NH2-OE1 2.89Å; R184-E211 PolarHBondContact NH2-OE1 2.99Å
185V96.9Very high94.6Very high83 Ų8360.2 Ų60.250%0.50330%0.3SS..  trans-107.6-33.6170.3-174.90000111I149 T150 Q152 H183I149-V185 PolarHBondContact O-N 3.16Å; T150-V185 WeakPolarHBondContact O-CG2 3.33Å; Q152-V185 HydrophobicContact CB-CG1 4.24Å; H183-V185 PolarHBondContact O-N 2.74Å
186I96.4Very high94.2Very high0 Ų066.1 Ų66.10%033%0.331CS..SBendtrans-99.6124.2-176.1-59.6141.9000110.1F147 D148 I149 F155 R184 V191F147-I186 HydrophobicContact CD2-CD1 3.86Å; F147-I186 HydrophobicContact CE2-CB 4.26Å; F147-I186 HydrophobicContact CE2-CD1 3.89Å; F147-I186 HydrophobicContact CE2-CG2 3.85Å; F147-I186 HydrophobicContact CZ-CG2 4.3Å; D148-I186 VanDerWaalsContact O-CD1 3.26Å; D148-I186 WeakPolarHBondContact O-CD1 3.35Å; I149-I186 PolarHBondContact O-N 3.06Å; F155-I186 HydrophobicContact CB-CD1 3.57Å; F155-I186 HydrophobicContact CB-CG1 3.98Å; F155-I186 HydrophobicContact CD1-CG1 4.49Å; F155-I186 HydrophobicContact CD1-CG2 4.21Å; F155-I186 HydrophobicContact CG-CD1 4.43Å; F155-I186 HydrophobicContact CG-CG1 4.42Å; F155-I186 HydrophobicContact CG-CG2 4.16Å; R184-I186 VanDerWaalsContact CD-O 3.27Å; R184-I186 WeakPolarHBondContact CD-O 3.29Å; R184-I186 VanDerWaalsContact CG-O 3.28Å; R184-I186 WeakPolarHBondContact CG-O 3.36Å; R184-I186 PolarHBondContact NE-O 3.27Å; I186-V191 HydrophobicContact CG2-CG2 3.5Å; I186-V191 VanDerWaalsContact CG2-CG2 3.5Å
187L95.4Very high93.7Very high93 Ų9372 Ų7249%0.48736%0.362SS..  trans-87.9151.9179.7-54.4176.5000111.7R184 G189 D190 V191R184-L187 HydrophobicContact CG-CD2 4.44Å; L187-G189 PolarHBondContact O-N 3.34Å; L187-D190 VanDerWaalsContact CB-OD2 3.32Å; L187-D190 WeakPolarHBondContact CB-OD2 3.32Å; L187-D190 PolarHBondContact N-OD2 3.41Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å
188P94.8Very high93.1Very high32 Ų3271.1 Ų71.121%0.20836%0.361CS..THydrogen-bonded Turntrans-76.6-1.3177.433.6-36.7000113.3R192 Y209P188-R192 VanDerWaalsContact O-CD 3.24Å; P188-R192 WeakPolarHBondContact O-CD 3.46Å; P188-R192 VanDerWaalsContact O-CG 3.29Å; P188-R192 WeakPolarHBondContact O-CG 3.42Å; P188-R192 PolarHBondContact O-NE 3.08Å; P188-Y209 HydrophobicContact CB-CE1 3.71Å
189G95.1Very high91.9Very high25 Ų2574.4 Ų74.426%0.25839%0.386SS..THydrogen-bonded Turntrans-76.5-67166.100000109.1L187 V191 R192 D193L187-G189 PolarHBondContact O-N 3.34Å; G189-V191 PolarHBondContact O-N 2.71Å; G189-R192 WeakPolarHBondContact O-CA 3.43Å; G189-R192 WeakPolarHBondContact O-CB 3.35Å; G189-R192 PolarHBondContact O-N 3.3Å; G189-D193 VanDerWaalsContact C-OD2 3.3Å; G189-D193 VanDerWaalsContact O-CG 3.27Å; G189-D193 PolarHBondContact O-N 2.83Å
190D93.8Very high91Very high68 Ų6873.8 Ų73.836%0.36438%0.379SS..Hα-helixtrans-43.3-39.6-179.4-25.3-28.6000113.9L187 F194L187-D190 VanDerWaalsContact CB-OD2 3.32Å; L187-D190 WeakPolarHBondContact CB-OD2 3.32Å; L187-D190 PolarHBondContact N-OD2 3.41Å; D190-F194 VanDerWaalsContact O-CB 3.23Å; D190-F194 WeakPolarHBondContact O-CB 3.48Å; D190-F194 PolarHBondContact O-N 2.83Å
191V94.3Very high90.3Very high1 Ų173.5 Ų73.51%0.00638%0.383CS..Hα-helixtrans-72.4-37.1179.5-176.80000112.7F147 F155 V173 I186 L187 G189 I195 Y209F147-V191 HydrophobicContact CE1-CG1 4.29Å; F147-V191 HydrophobicContact CZ-CG1 4.36Å; F147-V191 HydrophobicContact CZ-CG2 3.84Å; F155-V191 HydrophobicContact CD2-CG2 4.26Å; F155-V191 HydrophobicContact CE2-CB 4.27Å; F155-V191 HydrophobicContact CE2-CG1 4.09Å; F155-V191 HydrophobicContact CE2-CG2 3.75Å; F155-V191 HydrophobicContact CZ-CB 4.45Å; F155-V191 HydrophobicContact CZ-CG2 3.96Å; V173-V191 HydrophobicContact CG1-CG1 4.1Å; I186-V191 HydrophobicContact CG2-CG2 3.5Å; I186-V191 VanDerWaalsContact CG2-CG2 3.5Å; L187-V191 WeakPolarHBondContact O-CG2 3.41Å; G189-V191 PolarHBondContact O-N 2.71Å; V191-I195 HydrophobicContact CG1-CD1 4.19Å; V191-I195 WeakPolarHBondContact O-CB 3.47Å; V191-I195 VanDerWaalsContact O-CD1 3.31Å; V191-I195 WeakPolarHBondContact O-CD1 3.21Å; V191-I195 WeakPolarHBondContact O-CG1 3.37Å; V191-I195 PolarHBondContact O-N 2.86Å; V191-Y209 HydrophobicContact CB-CD2 4.31Å; V191-Y209 HydrophobicContact CB-CE2 4.18Å; V191-Y209 HydrophobicContact CG1-CD1 4.47Å; V191-Y209 HydrophobicContact CG1-CD2 3.42Å; V191-Y209 VanDerWaalsContact CG1-CD2 3.42Å; V191-Y209 HydrophobicContact CG1-CE2 3.6Å; V191-Y209 HydrophobicContact CG1-CG 3.89Å; V191-Y209 HydrophobicContact CG2-CE2 4.45Å
192R93.3Very high89.4Confident135 Ų13578.9 Ų78.951%0.50941%0.413SS..Hα-helixtrans-73.5-46.9173.8-66.3171.8-169.51555.3110.2P188 G189 F194 I195 D196 Y209P188-R192 VanDerWaalsContact O-CD 3.24Å; P188-R192 WeakPolarHBondContact O-CD 3.46Å; P188-R192 VanDerWaalsContact O-CG 3.29Å; P188-R192 WeakPolarHBondContact O-CG 3.42Å; P188-R192 PolarHBondContact O-NE 3.08Å; G189-R192 WeakPolarHBondContact O-CA 3.43Å; G189-R192 WeakPolarHBondContact O-CB 3.35Å; G189-R192 PolarHBondContact O-N 3.3Å; R192-F194 PolarHBondContact O-N 3.35Å; R192-I195 CarbonylContact O-C 3.55Å; R192-I195 WeakPolarHBondContact O-CA 3.37Å; R192-I195 WeakPolarHBondContact O-CB 3.31Å; R192-I195 PolarHBondContact O-N 2.94Å; R192-D196 PolarHBondContact O-N 3.26Å; R192-Y209 HydrophobicContact CG-CD1 4.08Å
193D93.1Very high88.5Confident92 Ų9274.2 Ų74.249%0.49242%0.415SS..Hα-helixtrans-58.4-41.2178.9-54.7-24.8000109.9G189 N197G189-D193 VanDerWaalsContact C-OD2 3.3Å; G189-D193 VanDerWaalsContact O-CG 3.27Å; G189-D193 PolarHBondContact O-N 2.83Å; D193-N197 VanDerWaalsContact O-CB 3.29Å; D193-N197 WeakPolarHBondContact O-CB 3.46Å; D193-N197 PolarHBondContact O-N 3.18Å; D193-N197 PolarHBondContact O-ND2 2.83Å
194F91.1Very high88Confident48 Ų4870 Ų7021%0.21140%0.399CS..Hα-helixtrans-61-45.9170.5171.5-117000113.1F155 L159 L162 D190 R192 N197 L198F155-F194 HydrophobicContact CE2-CD1 4.43Å; F155-F194 HydrophobicContact CZ-CB 4.38Å; F155-F194 HydrophobicContact CZ-CD1 4.26Å; L159-F194 HydrophobicContact CB-CZ 4.39Å; L159-F194 HydrophobicContact CD2-CD1 3.53Å; L159-F194 HydrophobicContact CD2-CD2 3.72Å; L159-F194 HydrophobicContact CD2-CE1 3.46Å; L159-F194 VanDerWaalsContact CD2-CE1 3.46Å; L159-F194 HydrophobicContact CD2-CE2 3.68Å; L159-F194 HydrophobicContact CD2-CG 3.66Å; L159-F194 HydrophobicContact CD2-CZ 3.55Å; L162-F194 HydrophobicContact CD2-CD1 4.48Å; L162-F194 HydrophobicContact CD2-CE1 3.74Å; L162-F194 HydrophobicContact CD2-CZ 4.49Å; D190-F194 VanDerWaalsContact O-CB 3.23Å; D190-F194 WeakPolarHBondContact O-CB 3.48Å; D190-F194 PolarHBondContact O-N 2.83Å; R192-F194 PolarHBondContact O-N 3.35Å; F194-N197 PolarHBondContact O-N 2.84Å; F194-L198 HydrophobicContact CE1-CD1 4.28Å; F194-L198 HydrophobicContact CE2-CD2 4.09Å; F194-L198 HydrophobicContact CE2-CG 4.41Å; F194-L198 HydrophobicContact CZ-CD1 4.24Å; F194-L198 HydrophobicContact CZ-CD2 4.06Å; F194-L198 HydrophobicContact CZ-CG 4.37Å; F194-L198 PolarHBondContact O-N 2.88Å
195I90.6Very high87.5Confident13 Ų1368.3 Ų68.37%0.06739%0.394CS..Hα-helixtrans-63.2-42.7179.8-77165.6000112L162 V173 V191 R192 N197 L198 F207L162-I195 HydrophobicContact CD2-CG1 4.39Å; V173-I195 HydrophobicContact CB-CD1 3.96Å; V173-I195 HydrophobicContact CG1-CD1 4.37Å; V173-I195 HydrophobicContact CG2-CD1 3.84Å; V173-I195 HydrophobicContact CG2-CG1 4.44Å; V191-I195 HydrophobicContact CG1-CD1 4.19Å; V191-I195 WeakPolarHBondContact O-CB 3.47Å; V191-I195 VanDerWaalsContact O-CD1 3.31Å; V191-I195 WeakPolarHBondContact O-CD1 3.21Å; V191-I195 WeakPolarHBondContact O-CG1 3.37Å; V191-I195 PolarHBondContact O-N 2.86Å; R192-I195 CarbonylContact O-C 3.55Å; R192-I195 WeakPolarHBondContact O-CA 3.37Å; R192-I195 WeakPolarHBondContact O-CB 3.31Å; R192-I195 PolarHBondContact O-N 2.94Å; I195-N197 VanDerWaalsContact C-N 3.33Å; I195-L198 WeakPolarHBondContact O-CB 3.46Å; I195-L198 PolarHBondContact O-N 2.74Å; I195-F207 HydrophobicContact CG2-CB 3.41Å; I195-F207 VanDerWaalsContact CG2-CB 3.41Å; I195-F207 HydrophobicContact CG2-CD2 4.29Å; I195-F207 HydrophobicContact CG2-CG 4.03Å
196D87.6Confident87Confident124 Ų12470.6 Ų70.666%0.66340%0.395SS*.Hα-helixtrans-76.5-23-177.4-63.8-27.1000111.5R192 L198R192-D196 PolarHBondContact O-N 3.26Å; D196-L198 VanDerWaalsContact C-N 3.33Å
197N87.4Confident86.8Confident124 Ų12471.6 Ų71.666%0.66340%0.399SS*.THydrogen-bonded Turntrans-81.1-2.8169.5-79.3-67.1000114.1D193 F194 I195 N199D193-N197 VanDerWaalsContact O-CB 3.29Å; D193-N197 WeakPolarHBondContact O-CB 3.46Å; D193-N197 PolarHBondContact O-N 3.18Å; D193-N197 PolarHBondContact O-ND2 2.83Å; F194-N197 PolarHBondContact O-N 2.84Å; I195-N197 VanDerWaalsContact C-N 3.33Å; N197-N199 PolarHBondContact O-N 2.82Å
198L83.8Confident86.7Confident38 Ų3872.4 Ų72.420%0.19940%0.396CS..  trans-75.990.9170.4-70.4165.7000109.4L162 P163 F194 I195 D196 R200 F207L162-L198 HydrophobicContact CD2-CD1 3.66Å; L162-L198 HydrophobicContact CG-CD1 4.23Å; P163-L198 HydrophobicContact CG-CD2 4.46Å; F194-L198 HydrophobicContact CE1-CD1 4.28Å; F194-L198 HydrophobicContact CE2-CD2 4.09Å; F194-L198 HydrophobicContact CE2-CG 4.41Å; F194-L198 HydrophobicContact CZ-CD1 4.24Å; F194-L198 HydrophobicContact CZ-CD2 4.06Å; F194-L198 HydrophobicContact CZ-CG 4.37Å; F194-L198 PolarHBondContact O-N 2.88Å; I195-L198 WeakPolarHBondContact O-CB 3.46Å; I195-L198 PolarHBondContact O-N 2.74Å; D196-L198 VanDerWaalsContact C-N 3.33Å; L198-R200 PolarHBondContact O-N 3.22Å; L198-F207 HydrophobicContact CB-CE2 4.19Å; L198-F207 HydrophobicContact CD1-CD2 4.29Å; L198-F207 HydrophobicContact CD1-CE2 3.71Å; L198-F207 HydrophobicContact CD1-CZ 3.9Å
199N70.2Confident86.8Confident163 Ų16372.2 Ų72.287%0.87239%0.391SS*.  trans-59.874.7173.7-76.3-19.8000112.2N197N197-N199 PolarHBondContact O-N 2.82Å
200R75.8Confident86.9Confident54 Ų5471.5 Ų71.520%0.20438%0.383CS..PPolyproline II helixtrans-82.4146.4171.3-91.6-168.4168.7-166.6-9110.2V165 P166 T167 L198 S205 F207V165-R200 PolarHBondContact O-NH2 3.43Å; P166-R200 PolarHBondContact O-NH2 3.09Å; T167-R200 PolarHBondContact O-NH1 3.14Å; L198-R200 PolarHBondContact O-N 3.22Å; R200-S205 PolarHBondContact NH1-O 3.13Å; R200-S205 PolarHBondContact NH1-OG 3.29Å; R200-F207 HydrophobicContact CG-CE2 4.23Å; R200-F207 VanDerWaalsContact CZ-CZ 3.47Å
201P79.7Confident87Confident74 Ų7470.2 Ų70.248%0.48137%0.374SS..PPolyproline II helixtrans-64.2152.6179.226.5-34000111.9T167 S204T167-P201 HydrophobicContact CG2-CG 4.18Å; P201-S204 WeakPolarHBondContact CD-OG 3.29Å; P201-S204 WeakPolarHBondContact O-CB 3.05Å; P201-S204 PolarHBondContact O-N 2.7Å; P201-S204 VanDerWaalsContact O-N 3.15Å; P201-S204 PolarHBondContact O-OG 2.76Å
202P72.4Confident87.1Confident137 Ų13770.1 Ų70.189%0.8937%0.374SS*.THydrogen-bonded Turntrans-56.1145.5175.125.5-34.6000111S204P202-S204 VanDerWaalsContact C-N 3.29Å
203G76.5Confident87.3Confident89 Ų8963.8 Ų63.892%0.91835%0.35SS*.THydrogen-bonded Turntrans83.3-4.5-171.900000115.1
204S84.4Confident87.4Confident30 Ų3059.5 Ų59.521%0.2133%0.328CS..PPolyproline II helixtrans-62.6156.3172.8-67.40000113.7T167 P201 P202T167-S204 WeakPolarHBondContact O-CA 3.43Å; P201-S204 WeakPolarHBondContact CD-OG 3.29Å; P201-S204 WeakPolarHBondContact O-CB 3.05Å; P201-S204 PolarHBondContact O-N 2.7Å; P201-S204 VanDerWaalsContact O-N 3.15Å; P201-S204 PolarHBondContact O-OG 2.76Å; P202-S204 VanDerWaalsContact C-N 3.29Å
205S85.3Confident87.5Confident11 Ų1161.9 Ų61.98%0.07734%0.338CS..PPolyproline II helixtrans-70.1159.6176.667.70000114T167 H168 V169 R200T167-S205 PolarHBondContact O-N 2.79Å; T167-S205 PolarHBondContact O-OG 2.97Å; H168-S205 VanDerWaalsContact O-CB 3.29Å; H168-S205 WeakPolarHBondContact O-CB 3.41Å; V169-S205 PolarHBondContact N-OG 3.29Å; V169-S205 PolarHBondContact O-OG 2.89Å; R200-S205 PolarHBondContact NH1-O 3.13Å; R200-S205 PolarHBondContact NH1-OG 3.29Å
206Y86.3Confident87.7Confident131 Ų13165.9 Ų65.951%0.51436%0.359SS..PPolyproline II helixtrans-73.2126.1-176.9-55.4-77.7000113.4V171 I229V171-Y206 PolarHBondContact N-O 2.81Å; V171-Y206 VanDerWaalsContact N-O 3.07Å; Y206-I229 HydrophobicContact CD2-CG2 3.85Å
207F92.3Very high87.9Confident21 Ų2162 Ų629%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-80.7140.3154.5-72.6-62.8000110.8L162 V171 I195 L198 R200L162-F207 HydrophobicContact CD1-CD1 4.21Å; L162-F207 HydrophobicContact CD1-CE1 3.59Å; L162-F207 HydrophobicContact CD1-CZ 4.44Å; L162-F207 HydrophobicContact CD2-CD1 4.41Å; L162-F207 HydrophobicContact CD2-CE1 4.05Å; L162-F207 HydrophobicContact CD2-CZ 4.48Å; L162-F207 HydrophobicContact CG-CD1 4.49Å; L162-F207 HydrophobicContact CG-CE1 3.72Å; L162-F207 HydrophobicContact CG-CZ 4.13Å; V171-F207 HydrophobicContact CB-CD1 3.75Å; V171-F207 HydrophobicContact CB-CE1 3.83Å; V171-F207 HydrophobicContact CG1-CE1 4.48Å; V171-F207 HydrophobicContact CG2-CD1 4.2Å; V171-F207 HydrophobicContact CG2-CE1 3.82Å; I195-F207 HydrophobicContact CG2-CB 3.41Å; I195-F207 VanDerWaalsContact CG2-CB 3.41Å; I195-F207 HydrophobicContact CG2-CD2 4.29Å; I195-F207 HydrophobicContact CG2-CG 4.03Å; L198-F207 HydrophobicContact CB-CE2 4.19Å; L198-F207 HydrophobicContact CD1-CD2 4.29Å; L198-F207 HydrophobicContact CD1-CE2 3.71Å; L198-F207 HydrophobicContact CD1-CZ 3.9Å; R200-F207 HydrophobicContact CG-CE2 4.23Å; R200-F207 VanDerWaalsContact CZ-CZ 3.47Å
208R93.7Very high88.4Confident110 Ų11061.4 Ų61.442%0.41533%0.334SS..EExtended strand (participates in β ladder)trans-141129.4174.2-68-64.5169.8-118.313.3110.8V171 C172 V173 F226 I229V171-R208 PolarHBondContact O-N 2.78Å; C172-R208 CarbonylContact C-O 3.51Å; C172-R208 WeakPolarHBondContact CA-O 3.49Å; V173-R208 PolarHBondContact N-O 2.82Å; R208-F226 HydrophobicContact CB-CD2 4.35Å; R208-I229 HydrophobicContact CG-CD1 4.28Å
209Y96.1Very high88.9Confident29 Ų2960.1 Ų60.111%0.11433%0.329CS..EExtended strand (participates in β ladder)trans-100.9137.7175.1172.2-114.4000112F147 V173 P188 V191 R192 E211F147-Y209 AromaticContact CE1-CE2 3.92Å; F147-Y209 HydrophobicContact CE1-CE2 3.92Å; F147-Y209 AromaticContact CZ-CE2 3.9Å; F147-Y209 HydrophobicContact CZ-CE2 3.9Å; V173-Y209 HydrophobicContact CB-CD2 4.36Å; V173-Y209 HydrophobicContact CG1-CD2 4.17Å; V173-Y209 WeakPolarHBondContact O-CA 3.44Å; V173-Y209 VanDerWaalsContact O-CD2 3.3Å; V173-Y209 WeakPolarHBondContact O-CD2 3.13Å; P188-Y209 HydrophobicContact CB-CE1 3.71Å; V191-Y209 HydrophobicContact CB-CD2 4.31Å; V191-Y209 HydrophobicContact CB-CE2 4.18Å; V191-Y209 HydrophobicContact CG1-CD1 4.47Å; V191-Y209 HydrophobicContact CG1-CD2 3.42Å; V191-Y209 VanDerWaalsContact CG1-CD2 3.42Å; V191-Y209 HydrophobicContact CG1-CE2 3.6Å; V191-Y209 HydrophobicContact CG1-CG 3.89Å; V191-Y209 HydrophobicContact CG2-CE2 4.45Å; R192-Y209 HydrophobicContact CG-CD1 4.08Å; Y209-E211 HydrophobicContact CE1-CG 4.26Å; Y209-E211 WeakPolarHBondContact OH-CG 3.26Å
210A96.8Very high90Very high10 Ų1053.9 Ų53.98%0.08330%0.296CS..EExtended strand (participates in β ladder)trans-144.5154.7170.300000112.9V173 L174 G175 Y222V173-A210 PolarHBondContact O-N 2.74Å; L174-A210 WeakPolarHBondContact CA-O 3.39Å; L174-A210 HydrophobicContact CD1-CB 4.07Å; G175-A210 PolarHBondContact N-O 3.26Å; A210-Y222 HydrophobicContact CB-CD1 3.51Å; A210-Y222 HydrophobicContact CB-CD2 4.33Å; A210-Y222 HydrophobicContact CB-CE1 3.57Å; A210-Y222 HydrophobicContact CB-CE2 4.36Å; A210-Y222 HydrophobicContact CB-CG 3.92Å
211E96.1Very high90.9Very high40 Ų4060.3 Ų60.319%0.18733%0.325CS..EExtended strand (participates in β ladder)trans-94.3145.1171.9-61178.3140.100110G175 R178 R184 Y209 F218G175-E211 CarbonylContact O-C 3.51Å; G175-E211 WeakPolarHBondContact O-CA 3.28Å; R178-E211 HydrophobicContact CG-CB 4.21Å; R178-E211 IonicContact CZ-OE1 2.74Å; R178-E211 IonicContact CZ-OE2 3.2Å; R178-E211 IonicContact NE-OE1 2.65Å; R178-E211 PolarHBondContact NE-OE1 2.98Å; R178-E211 IonicContact NE-OE2 3.26Å; R178-E211 PolarHBondContact NE-OE2 2.92Å; R178-E211 IonicContact NH2-OE1 2.62Å; R178-E211 PolarHBondContact NH2-OE1 3.06Å; R178-E211 VanDerWaalsContact NH2-OE1 3.13Å; R178-E211 IonicContact NH2-OE2 2.72Å; R178-E211 PolarHBondContact NH2-OE2 3.13Å; R184-E211 IonicContact CZ-OE1 3.3Å; R184-E211 IonicContact NH1-OE1 3.39Å; R184-E211 PolarHBondContact NH1-OE1 3.4Å; R184-E211 IonicContact NH2-OE1 2.89Å; R184-E211 PolarHBondContact NH2-OE1 2.99Å; Y209-E211 HydrophobicContact CE1-CG 4.26Å; Y209-E211 WeakPolarHBondContact OH-CG 3.26Å; E211-F218 HydrophobicContact CB-CE1 4.36Å; E211-F218 WeakPolarHBondContact O-CE1 3.45Å
212S97.1Very high91.7Very high0 Ų061.1 Ų61.10%032%0.319CS..  trans-144.1162.5-178.672.70000113.1L174 G175 N176 Y177 R178 F218L174-S212 WeakPolarHBondContact CG-OG 3.28Å; G175-S212 PolarHBondContact O-N 2.82Å; N176-S212 CarbonylContact C-O 3.48Å; N176-S212 WeakPolarHBondContact CA-O 3.39Å; N176-S212 WeakPolarHBondContact CA-OG 3.32Å; N176-S212 PolarHBondContact OD1-O 2.88Å; N176-S212 PolarHBondContact OD1-OG 3.29Å; Y177-S212 PolarHBondContact N-O 3.39Å; R178-S212 WeakPolarHBondContact CB-O 3.42Å; R178-S212 PolarHBondContact N-O 2.84Å; S212-F218 WeakPolarHBondContact CA-O 3.44Å; S212-F218 WeakPolarHBondContact CB-O 3.48Å
213S96.7Very high92.8Very high1 Ų154.6 Ų54.61%0.00728%0.277CS..BIsolated β-bridgetrans-142.5114163.3168.40000109.1N176 D179 K215 N216 S217 F218N176-S213 WeakPolarHBondContact OD1-CA 3.28Å; D179-S213 WeakPolarHBondContact OD1-CB 3.41Å; D179-S213 PolarHBondContact OD1-OG 3.34Å; S213-K215 PolarHBondContact O-N 3.35Å; S213-K215 PolarHBondContact OG-N 2.91Å; S213-N216 VanDerWaalsContact CB-OD1 3.26Å; S213-N216 WeakPolarHBondContact CB-OD1 3.31Å; S213-N216 PolarHBondContact O-N 2.85Å; S213-N216 PolarHBondContact O-OD1 2.88Å; S213-N216 PolarHBondContact OG-OD1 3.26Å; S213-S217 CarbonylContact O-C 3.55Å; S213-S217 WeakPolarHBondContact O-CA 3.4Å; S213-S217 PolarHBondContact O-N 2.73Å; S213-F218 PolarHBondContact N-O 3.49Å; S213-F218 PolarHBondContact O-N 2.93Å; S213-F218 VanDerWaalsContact O-N 3.1Å
214M95.1Very high93.6Very high3 Ų353.9 Ų53.92%0.01525%0.25CC..THydrogen-bonded Turntrans-69.5-20.1176.7-62.6-55.4109.100112.7T58 L59 R62 F68 M146 N176 L220T58-M214 HydrophobicContact CG2-CB 3.65Å; T58-M214 HydrophobicContact CG2-CG 4.44Å; L59-M214 HydrophobicContact CB-CG 4.24Å; L59-M214 HydrophobicContact CB-SD 3.7Å; L59-M214 HydrophobicContact CD1-CE 4.12Å; L59-M214 HydrophobicContact CD1-SD 3.63Å; L59-M214 HydrophobicContact CG-SD 4.26Å; R62-M214 HydrophobicContact CB-SD 4.4Å; R62-M214 HydrophobicContact CG-SD 4.19Å; R62-M214 PolarHBondContact NE-O 2.93Å; R62-M214 PolarHBondContact NH2-O 3.08Å; F68-M214 WeakPolarHBondContact CD2-O 3.44Å; M146-M214 HydrophobicContact CE-CE 4.25Å; M146-M214 HydrophobicContact CE-CG 3.76Å; M146-M214 HydrophobicContact CE-SD 4.27Å; N176-M214 PolarHBondContact OD1-N 3.07Å; M214-L220 HydrophobicContact CE-CD2 3.9Å; M214-L220 HydrophobicContact CE-CG 4.47Å; M214-L220 HydrophobicContact SD-CD2 3.88Å
215K94.3Very high94.1Very high97 Ų9759 Ų5942%0.42227%0.268SS..THydrogen-bonded Turntrans-64.7-45.8175.6-173.7161.4178.9165.20111.7R62 F68 E70 S213R62-K215 PolarHBondContact NH2-O 3.18Å; F68-K215 HydrophobicContact CD1-CG 4.26Å; F68-K215 HydrophobicContact CD2-CB 4.43Å; F68-K215 HydrophobicContact CE1-CB 4.25Å; F68-K215 HydrophobicContact CE1-CD 4.17Å; F68-K215 HydrophobicContact CE1-CG 3.85Å; F68-K215 HydrophobicContact CE2-CB 4.03Å; F68-K215 HydrophobicContact CZ-CB 3.94Å; F68-K215 HydrophobicContact CZ-CD 4.24Å; F68-K215 HydrophobicContact CZ-CG 4Å; E70-K215 WeakPolarHBondContact OE1-CE 3.41Å; E70-K215 IonicContact OE1-NZ 3.27Å; E70-K215 PolarHBondContact OE1-NZ 2.88Å; S213-K215 PolarHBondContact O-N 3.35Å; S213-K215 PolarHBondContact OG-N 2.91Å
216N93.4Very high94.6Very high97 Ų9758.7 Ų58.752%0.51927%0.266SS..THydrogen-bonded Turntrans-1088.3-179.369.615.1000115.1S213 F218S213-N216 VanDerWaalsContact CB-OD1 3.26Å; S213-N216 WeakPolarHBondContact CB-OD1 3.31Å; S213-N216 PolarHBondContact O-N 2.85Å; S213-N216 PolarHBondContact O-OD1 2.88Å; S213-N216 PolarHBondContact OG-OD1 3.26Å; N216-F218 PolarHBondContact O-N 3.43Å; N216-F218 WeakPolarHBondContact OD1-CB 3.19Å; N216-F218 PolarHBondContact OD1-N 3.34Å
217S93.3Very high95.1Very high44 Ų4452.6 Ų52.631%0.30824%0.242SC..THydrogen-bonded Turntrans65.713-175.9-65.50000115.8R62 S213 L220R62-S217 PolarHBondContact NE-OG 3.45Å; R62-S217 PolarHBondContact NH1-OG 3.42Å; R62-S217 PolarHBondContact NH2-OG 2.96Å; S213-S217 CarbonylContact O-C 3.55Å; S213-S217 WeakPolarHBondContact O-CA 3.4Å; S213-S217 PolarHBondContact O-N 2.73Å; S217-L220 WeakPolarHBondContact O-CG 3.43Å; S217-L220 PolarHBondContact O-N 2.89Å
218F96.4Very high95.2Very high111 Ų11153.4 Ų53.449%0.48725%0.247SC..BIsolated β-bridgetrans-64.5144.6172.8-175.8-100.6000111.2R178 E211 S212 S213 N216 L220R178-F218 HydrophobicContact CB-CD1 4.5Å; R178-F218 HydrophobicContact CG-CD1 4.45Å; R178-F218 HydrophobicContact CG-CE1 4.35Å; E211-F218 HydrophobicContact CB-CE1 4.36Å; E211-F218 WeakPolarHBondContact O-CE1 3.45Å; S212-F218 WeakPolarHBondContact CA-O 3.44Å; S212-F218 WeakPolarHBondContact CB-O 3.48Å; S213-F218 PolarHBondContact N-O 3.49Å; S213-F218 PolarHBondContact O-N 2.93Å; S213-F218 VanDerWaalsContact O-N 3.1Å; N216-F218 PolarHBondContact O-N 3.43Å; N216-F218 WeakPolarHBondContact OD1-CB 3.19Å; N216-F218 PolarHBondContact OD1-N 3.34Å; F218-L220 VanDerWaalsContact C-N 3.3Å; F218-L220 PolarHBondContact O-N 3.33Å
219G94.9Very high95.2Very high10 Ų1050 Ų5010%0.10324%0.237CC..THydrogen-bonded Turntrans85.2-24.3-174.400000115K221 Y222 L223G219-K221 VanDerWaalsContact C-N 3.31Å; G219-K221 PolarHBondContact O-N 3.4Å; G219-Y222 WeakPolarHBondContact O-CA 3.42Å; G219-Y222 VanDerWaalsContact O-CB 3.31Å; G219-Y222 WeakPolarHBondContact O-CB 3.37Å; G219-Y222 PolarHBondContact O-N 3.37Å; G219-L223 PolarHBondContact O-N 3.29Å
220L94.7Very high95.1Very high33 Ų3348.7 Ų48.717%0.17323%0.231CC..Hα-helixtrans-60.7-37.2-179.3-62.7-178.2000113.1L59 R62 M214 S217 F218 Y222 L223 H224L59-L220 HydrophobicContact CD1-CD2 3.47Å; L59-L220 VanDerWaalsContact CD1-CD2 3.47Å; R62-L220 HydrophobicContact CB-CD1 3.83Å; R62-L220 HydrophobicContact CB-CD2 4.21Å; R62-L220 HydrophobicContact CG-CD1 4.25Å; M214-L220 HydrophobicContact CE-CD2 3.9Å; M214-L220 HydrophobicContact CE-CG 4.47Å; M214-L220 HydrophobicContact SD-CD2 3.88Å; S217-L220 WeakPolarHBondContact O-CG 3.43Å; S217-L220 PolarHBondContact O-N 2.89Å; F218-L220 VanDerWaalsContact C-N 3.3Å; F218-L220 PolarHBondContact O-N 3.33Å; L220-Y222 PolarHBondContact O-N 2.89Å; L220-L223 PolarHBondContact O-N 2.96Å; L220-H224 WeakPolarHBondContact O-CB 3.43Å; L220-H224 PolarHBondContact O-N 3.01Å
221K94.3Very high95Very high188 Ų18848.2 Ų48.282%0.81723%0.227SC*.Hα-helixtrans-64.9-24.6173.6-68.2-175.1179.4-179.70113.4G219G219-K221 VanDerWaalsContact C-N 3.31Å; G219-K221 PolarHBondContact O-N 3.4Å
222Y96.2Very high94.9Very high91 Ų9149.9 Ų49.936%0.35724%0.237SC..Hα-helixtrans-78.6-47.4171.8-177-81.3000110.1A210 G219 L220 H224 K225 F226A210-Y222 HydrophobicContact CB-CD1 3.51Å; A210-Y222 HydrophobicContact CB-CD2 4.33Å; A210-Y222 HydrophobicContact CB-CE1 3.57Å; A210-Y222 HydrophobicContact CB-CE2 4.36Å; A210-Y222 HydrophobicContact CB-CG 3.92Å; G219-Y222 WeakPolarHBondContact O-CA 3.42Å; G219-Y222 VanDerWaalsContact O-CB 3.31Å; G219-Y222 WeakPolarHBondContact O-CB 3.37Å; G219-Y222 PolarHBondContact O-N 3.37Å; L220-Y222 PolarHBondContact O-N 2.89Å; Y222-H224 VanDerWaalsContact C-N 3.31Å; Y222-H224 PolarHBondContact O-N 2.88Å; Y222-K225 CarbonylContact O-C 3.57Å; Y222-K225 WeakPolarHBondContact O-CA 3.35Å; Y222-K225 WeakPolarHBondContact O-CB 3.36Å; Y222-K225 PolarHBondContact O-N 2.86Å; Y222-F226 HydrophobicContact CE1-CB 4.47Å; Y222-F226 PolarHBondContact O-N 3.43Å
223L95.7Very high94.7Very high1 Ų152.9 Ų52.91%0.00525%0.251CS..Hα-helixtrans-60.9-39-179.7-171.365.9000112.4L59 L63 V144 C172 G219 L220 K225 F226 F227L59-L223 HydrophobicContact CD1-CD2 3.69Å; L59-L223 HydrophobicContact CD2-CD2 3.99Å; L59-L223 HydrophobicContact CG-CD2 4.33Å; L63-L223 HydrophobicContact CD1-CD2 4.3Å; L63-L223 HydrophobicContact CD2-CD2 4.23Å; V144-L223 HydrophobicContact CG1-CD1 4.43Å; V144-L223 HydrophobicContact CG2-CD1 3.86Å; C172-L223 HydrophobicContact CB-CD1 4.24Å; G219-L223 PolarHBondContact O-N 3.29Å; L220-L223 PolarHBondContact O-N 2.96Å; L223-K225 PolarHBondContact O-N 3.11Å; L223-F226 HydrophobicContact CD1-CB 4.41Å; L223-F226 HydrophobicContact CD1-CD1 4Å; L223-F226 WeakPolarHBondContact O-CB 3.46Å; L223-F226 PolarHBondContact O-N 3.42Å; L223-F227 HydrophobicContact CD1-CE1 3.95Å; L223-F227 HydrophobicContact CD2-CE1 4.41Å; L223-F227 HydrophobicContact CD2-CZ 4.18Å; L223-F227 HydrophobicContact CG-CE1 3.86Å; L223-F227 HydrophobicContact CG-CZ 3.95Å; L223-F227 PolarHBondContact O-N 3.08Å
224H93.6Very high94.5Very high73 Ų7353.7 Ų53.734%0.33826%0.256SS..Hα-helixtrans-60.2-30.9172-171.2-43.3000112.9W85 L220 Y222W85-H224 AromaticContact CD1-CE1 3.68Å; W85-H224 AromaticContact CD1-ND1 3.91Å; W85-H224 AromaticContact CD1-NE2 3.99Å; W85-H224 AromaticContact CE2-CE1 3.99Å; W85-H224 AromaticContact CE2-ND1 3.95Å; W85-H224 AromaticContact NE1-CE1 3.18Å; W85-H224 PolarHBondContact NE1-CE1 3.09Å; W85-H224 AromaticContact NE1-CG 3.74Å; W85-H224 AromaticContact NE1-ND1 3.08Å; W85-H224 PolarHBondContact NE1-ND1 2.62Å; W85-H224 AromaticContact NE1-NE2 3.89Å; W85-H224 PolarHBondContact NE1-O 2.95Å; L220-H224 WeakPolarHBondContact O-CB 3.43Å; L220-H224 PolarHBondContact O-N 3.01Å; Y222-H224 VanDerWaalsContact C-N 3.31Å; Y222-H224 PolarHBondContact O-N 2.88Å
225K94.4Very high94.4Very high137 Ų13755.4 Ų55.460%0.59626%0.264SS*.Hα-helixtrans-80.3-33.7171.8-71.9-175.2174.9-169.40112.1Y222 L223 F227 N228Y222-K225 CarbonylContact O-C 3.57Å; Y222-K225 WeakPolarHBondContact O-CA 3.35Å; Y222-K225 WeakPolarHBondContact O-CB 3.36Å; Y222-K225 PolarHBondContact O-N 2.86Å; L223-K225 PolarHBondContact O-N 3.11Å; K225-F227 VanDerWaalsContact C-N 3.26Å; K225-F227 PolarHBondContact O-N 3.34Å; K225-N228 VanDerWaalsContact O-CB 3.22Å; K225-N228 WeakPolarHBondContact O-CB 3.39Å; K225-N228 VanDerWaalsContact O-CG 3.26Å; K225-N228 PolarHBondContact O-N 2.65Å; K225-N228 VanDerWaalsContact O-N 3.13Å
226F95.9Very high94.3Very high6 Ų659.2 Ų59.23%0.02628%0.275CS..Hα-helixtrans-59.2-38.3175.3169.8-96.7000111.3P170 C172 R208 Y222 L223 N228 I229 P230P170-F226 HydrophobicContact CB-CE2 4.46Å; P170-F226 HydrophobicContact CB-CZ 4.23Å; C172-F226 HydrophobicContact CB-CD1 3.69Å; C172-F226 HydrophobicContact CB-CD2 3.83Å; C172-F226 HydrophobicContact CB-CE1 3.62Å; C172-F226 HydrophobicContact CB-CE2 3.76Å; C172-F226 HydrophobicContact CB-CG 3.8Å; C172-F226 HydrophobicContact CB-CZ 3.67Å; R208-F226 HydrophobicContact CB-CD2 4.35Å; Y222-F226 HydrophobicContact CE1-CB 4.47Å; Y222-F226 PolarHBondContact O-N 3.43Å; L223-F226 HydrophobicContact CD1-CB 4.41Å; L223-F226 HydrophobicContact CD1-CD1 4Å; L223-F226 WeakPolarHBondContact O-CB 3.46Å; L223-F226 PolarHBondContact O-N 3.42Å; F226-N228 PolarHBondContact O-N 3.24Å; F226-I229 HydrophobicContact CD2-CD1 4.1Å; F226-I229 HydrophobicContact CE2-CD1 4.36Å; F226-I229 WeakPolarHBondContact O-CB 3.14Å; F226-I229 PolarHBondContact O-N 3.5Å; F226-P230 WeakPolarHBondContact O-CD 3.33Å
227F95.6Very high94.2Very high3 Ų358.7 Ų58.71%0.01327%0.27CS..THydrogen-bonded Turntrans-57.3-17175.5-65.1-13.9000114.7I46 L63 I83 W85 L223 K225 I229 P230 F231I46-F227 HydrophobicContact CG1-CE1 4.33Å; I46-F227 HydrophobicContact CG2-CE1 4.18Å; L63-F227 HydrophobicContact CD1-CZ 4.33Å; L63-F227 HydrophobicContact CD2-CE2 4.04Å; L63-F227 HydrophobicContact CD2-CZ 4.1Å; I83-F227 HydrophobicContact CD1-CE2 4.33Å; W85-F227 AromaticContact CD1-CD2 3.8Å; W85-F227 HydrophobicContact CD2-CB 4.38Å; W85-F227 HydrophobicContact CG-CD2 4.38Å; W85-F227 HydrophobicContact CH2-CB 4.39Å; W85-F227 HydrophobicContact CZ2-CB 3.72Å; W85-F227 AromaticContact NE1-CD2 3.75Å; L223-F227 HydrophobicContact CD1-CE1 3.95Å; L223-F227 HydrophobicContact CD2-CE1 4.41Å; L223-F227 HydrophobicContact CD2-CZ 4.18Å; L223-F227 HydrophobicContact CG-CE1 3.86Å; L223-F227 HydrophobicContact CG-CZ 3.95Å; L223-F227 PolarHBondContact O-N 3.08Å; K225-F227 VanDerWaalsContact C-N 3.26Å; K225-F227 PolarHBondContact O-N 3.34Å; F227-I229 VanDerWaalsContact C-N 3.26Å; F227-I229 PolarHBondContact O-N 2.76Å; F227-P230 WeakPolarHBondContact O-CD 3.41Å; F227-P230 WeakPolarHBondContact O-CG 3.41Å; F227-F231 VanDerWaalsContact O-CB 3.29Å; F227-F231 WeakPolarHBondContact O-CB 3.49Å; F227-F231 PolarHBondContact O-N 2.84Å
228N94.4Very high94.1Very high38 Ų3858.2 Ų58.220%0.20327%0.265CS..Hα-helixtrans-59.1-36.6167.9-65.2-2.7000112.4W85 Y87 K225 F226 L232W85-N228 VanDerWaalsContact CH2-OD1 3.31Å; W85-N228 WeakPolarHBondContact CH2-OD1 3.31Å; W85-N228 WeakPolarHBondContact CZ2-OD1 3.39Å; Y87-N228 HydrophobicContact CE2-CB 4.19Å; K225-N228 VanDerWaalsContact O-CB 3.22Å; K225-N228 WeakPolarHBondContact O-CB 3.39Å; K225-N228 VanDerWaalsContact O-CG 3.26Å; K225-N228 PolarHBondContact O-N 2.65Å; K225-N228 VanDerWaalsContact O-N 3.13Å; F226-N228 PolarHBondContact O-N 3.24Å; N228-L232 WeakPolarHBondContact O-CB 3.5Å; N228-L232 VanDerWaalsContact O-CG 3.23Å; N228-L232 WeakPolarHBondContact O-CG 3.02Å; N228-L232 PolarHBondContact O-N 3.43Å
229I94.3Very high93.9Very high39 Ų3957 Ų5720%0.226%0.263CS..Hα-helixtrans-66.8-56.5-175.8-57.6177.8000111.7P170 Y206 R208 F226 F227 F231 L232 Q233P170-I229 HydrophobicContact CB-CG2 3.77Å; P170-I229 HydrophobicContact CG-CG2 4.17Å; Y206-I229 HydrophobicContact CD2-CG2 3.85Å; R208-I229 HydrophobicContact CG-CD1 4.28Å; F226-I229 HydrophobicContact CD2-CD1 4.1Å; F226-I229 HydrophobicContact CE2-CD1 4.36Å; F226-I229 WeakPolarHBondContact O-CB 3.14Å; F226-I229 PolarHBondContact O-N 3.5Å; F227-I229 VanDerWaalsContact C-N 3.26Å; F227-I229 PolarHBondContact O-N 2.76Å; I229-F231 PolarHBondContact O-N 2.79Å; I229-L232 PolarHBondContact O-N 3.5Å; I229-Q233 WeakPolarHBondContact O-CG 3.48Å; I229-Q233 PolarHBondContact O-N 3.39Å
230P95.1Very high93.9Very high0 Ų060.9 Ų60.90%028%0.281CS..Hα-helixtrans-64.6-28.7175.628.7-36.4000112.5M44 I46 N141 P170 F226 F227 L234M44-P230 HydrophobicContact CE-CB 4.38Å; M44-P230 HydrophobicContact CE-CG 4.15Å; M44-P230 HydrophobicContact SD-CB 3.99Å; M44-P230 HydrophobicContact SD-CG 3.78Å; I46-P230 HydrophobicContact CD1-CB 4.22Å; I46-P230 HydrophobicContact CD1-CG 3.97Å; N141-P230 HydrophobicContact CB-CB 4.3Å; N141-P230 WeakPolarHBondContact O-CB 3.49Å; P170-P230 HydrophobicContact CG-CB 3.91Å; F226-P230 WeakPolarHBondContact O-CD 3.33Å; F227-P230 WeakPolarHBondContact O-CD 3.41Å; F227-P230 WeakPolarHBondContact O-CG 3.41Å; P230-L234 VanDerWaalsContact O-CB 3.28Å; P230-L234 WeakPolarHBondContact O-CB 3.23Å; P230-L234 PolarHBondContact O-N 2.99Å
231F94.3Very high93.9Very high0 Ų065.2 Ų65.20%030%0.295CS..Hα-helixtrans-63.3-52.5172.5177.2-110.5000112.1Y42 M44 W85 Y87 V94 F227 I229 Q233 L234 Q235Y42-F231 AromaticContact CD2-CE2 3.64Å; Y42-F231 HydrophobicContact CD2-CE2 3.64Å; Y42-F231 HydrophobicContact CD2-CZ 4.17Å; Y42-F231 HydrophobicContact CE2-CE2 4.13Å; Y42-F231 HydrophobicContact CE2-CZ 4.25Å; Y42-F231 AromaticContact CG-CE2 3.88Å; Y42-F231 HydrophobicContact CG-CE2 3.88Å; M44-F231 HydrophobicContact CE-CB 3.6Å; M44-F231 HydrophobicContact CE-CD2 4.42Å; W85-F231 HydrophobicContact CH2-CB 4.22Å; W85-F231 HydrophobicContact CH2-CG 4.48Å; W85-F231 HydrophobicContact CZ3-CB 3.96Å; W85-F231 HydrophobicContact CZ3-CD1 4.28Å; W85-F231 HydrophobicContact CZ3-CD2 4.38Å; W85-F231 AromaticContact CZ3-CG 3.92Å; W85-F231 HydrophobicContact CZ3-CG 3.92Å; Y87-F231 AromaticContact CD1-CD1 3.99Å; Y87-F231 HydrophobicContact CD1-CD1 3.99Å; Y87-F231 AromaticContact CD1-CE1 3.48Å; Y87-F231 HydrophobicContact CD1-CE1 3.48Å; Y87-F231 VanDerWaalsContact CD1-CE1 3.48Å; Y87-F231 HydrophobicContact CD1-CZ 4.47Å; Y87-F231 HydrophobicContact CD2-CD1 4.06Å; Y87-F231 HydrophobicContact CD2-CE1 4.35Å; Y87-F231 HydrophobicContact CE1-CD1 4.37Å; Y87-F231 HydrophobicContact CE1-CE1 4.03Å; Y87-F231 HydrophobicContact CE2-CD1 4.46Å; Y87-F231 AromaticContact CG-CD1 3.83Å; Y87-F231 HydrophobicContact CG-CD1 3.83Å; Y87-F231 AromaticContact CG-CE1 3.67Å; Y87-F231 HydrophobicContact CG-CE1 3.67Å; V94-F231 HydrophobicContact CG1-CD2 4.38Å; V94-F231 HydrophobicContact CG2-CD2 3.6Å; V94-F231 HydrophobicContact CG2-CE2 3.46Å; V94-F231 VanDerWaalsContact CG2-CE2 3.46Å; V94-F231 HydrophobicContact CG2-CZ 4.31Å; F227-F231 VanDerWaalsContact O-CB 3.29Å; F227-F231 WeakPolarHBondContact O-CB 3.49Å; F227-F231 PolarHBondContact O-N 2.84Å; I229-F231 PolarHBondContact O-N 2.79Å; F231-Q233 VanDerWaalsContact C-N 3.3Å; F231-Q233 PolarHBondContact O-N 2.9Å; F231-L234 PolarHBondContact O-N 2.98Å; F231-Q235 WeakPolarHBondContact O-CB 3.38Å; F231-Q235 PolarHBondContact O-N 2.89Å
232L92.9Very high93.8Very high75 Ų7561.6 Ų61.639%0.39328%0.281SS..Hα-helixtrans-67.1-31.8-178.6-70.3167.8000112.3Y87 N228 I229 R236Y87-L232 HydrophobicContact CE1-CD2 4.22Å; N228-L232 WeakPolarHBondContact O-CB 3.5Å; N228-L232 VanDerWaalsContact O-CG 3.23Å; N228-L232 WeakPolarHBondContact O-CG 3.02Å; N228-L232 PolarHBondContact O-N 3.43Å; I229-L232 PolarHBondContact O-N 3.5Å; L232-R236 WeakPolarHBondContact O-CB 3.32Å; L232-R236 PolarHBondContact O-N 2.92Å
233Q93.2Very high93.7Very high64 Ų6462.7 Ų62.730%0.29929%0.293SS..Hα-helixtrans-66.5-46.5171.2-73.4-173.5-112.500111.9H168 P170 I229 F231 R236 E237H168-Q233 PolarHBondContact O-NE2 2.8Å; P170-Q233 VanDerWaalsContact CG-OE1 3.27Å; I229-Q233 WeakPolarHBondContact O-CG 3.48Å; I229-Q233 PolarHBondContact O-N 3.39Å; F231-Q233 VanDerWaalsContact C-N 3.3Å; F231-Q233 PolarHBondContact O-N 2.9Å; Q233-R236 PolarHBondContact O-N 3.05Å; Q233-E237 PolarHBondContact O-N 2.96Å
234L93.1Very high93.8Very high18 Ų1868.5 Ų68.59%0.09432%0.32CS..Hα-helixtrans-62.4-42.1175.7172.461.8000112.3Y42 N43 M44 P230 F231 E237 T238Y42-L234 HydrophobicContact CD1-CD2 4.23Å; Y42-L234 HydrophobicContact CD1-CG 4.17Å; N43-L234 VanDerWaalsContact O-CD2 3.26Å; N43-L234 WeakPolarHBondContact O-CD2 3.49Å; M44-L234 HydrophobicContact CB-CD2 4.24Å; P230-L234 VanDerWaalsContact O-CB 3.28Å; P230-L234 WeakPolarHBondContact O-CB 3.23Å; P230-L234 PolarHBondContact O-N 2.99Å; F231-L234 PolarHBondContact O-N 2.98Å; L234-E237 PolarHBondContact O-N 3.18Å; L234-T238 WeakPolarHBondContact O-CB 3.42Å; L234-T238 PolarHBondContact O-N 2.73Å; L234-T238 PolarHBondContact O-OG1 3.42Å
235Q91.9Very high93.9Very high39 Ų3968.4 Ų68.418%0.18232%0.324CS..Hα-helixtrans-62.1-45176.7-176.9171.338.800111.1Y42 F231 T238 L239Y42-Q235 HydrophobicContact CE1-CB 4.36Å; Y42-Q235 HydrophobicContact CE1-CG 4.49Å; F231-Q235 WeakPolarHBondContact O-CB 3.38Å; F231-Q235 PolarHBondContact O-N 2.89Å; Q235-T238 PolarHBondContact O-N 2.77Å; Q235-L239 HydrophobicContact CG-CD1 4.18Å; Q235-L239 WeakPolarHBondContact O-CG 3.24Å; Q235-L239 PolarHBondContact O-N 2.92Å
236R92.2Very high94.1Very high177 Ų17765.9 Ų65.967%0.66832%0.317SS*.Hα-helixtrans-60.2-44.5173.5-179.5-176.7174.1-142.3-4.6112L232 Q233 L239 L240L232-R236 WeakPolarHBondContact O-CB 3.32Å; L232-R236 PolarHBondContact O-N 2.92Å; Q233-R236 PolarHBondContact O-N 3.05Å; R236-L239 PolarHBondContact O-N 3.43Å; R236-L240 HydrophobicContact CG-CD1 4Å; R236-L240 HydrophobicContact CG-CG 4.46Å; R236-L240 WeakPolarHBondContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CG 3.44Å; R236-L240 PolarHBondContact O-N 3.46Å
237E91.6Very high94.2Very high85 Ų8570.2 Ų70.240%0.39734%0.338SS..Hα-helixtrans-63.3-41.5179.2-166.5-158.4125.100111.8Q233 L234 L240 R241Q233-E237 PolarHBondContact O-N 2.96Å; L234-E237 PolarHBondContact O-N 3.18Å; E237-L240 PolarHBondContact O-N 3.38Å; E237-R241 WeakPolarHBondContact O-CB 3.45Å; E237-R241 PolarHBondContact O-N 3.14Å; E237-R241 IonicContact OE1-CZ 3.98Å; E237-R241 VanDerWaalsContact OE1-CZ 3.3Å; E237-R241 IonicContact OE1-NH1 3.2Å; E237-R241 PolarHBondContact OE1-NH1 2.64Å; E237-R241 IonicContact OE1-NH2 2.65Å; E237-R241 PolarHBondContact OE1-NH2 3.06Å
238T91.1Very high94.3Very high34 Ų3475.3 Ų75.321%0.20936%0.364CS..Hα-helixtrans-64.9-43.9177.8-58.70000111.2Y42 L234 Q235 R241 Q242Y42-T238 HydrophobicContact CE1-CG2 4.27Å; L234-T238 WeakPolarHBondContact O-CB 3.42Å; L234-T238 PolarHBondContact O-N 2.73Å; L234-T238 PolarHBondContact O-OG1 3.42Å; Q235-T238 PolarHBondContact O-N 2.77Å; T238-R241 PolarHBondContact O-N 3.24Å; T238-Q242 WeakPolarHBondContact O-CG 3.47Å; T238-Q242 PolarHBondContact O-N 2.95Å
239L93Very high94.4Very high86 Ų8677.7 Ų77.745%0.4538%0.377SS..Hα-helixtrans-65.1-40.4176.5-71.6168.1000112.2Q235 R236 Q242 L243Q235-L239 HydrophobicContact CG-CD1 4.18Å; Q235-L239 WeakPolarHBondContact O-CG 3.24Å; Q235-L239 PolarHBondContact O-N 2.92Å; R236-L239 PolarHBondContact O-N 3.43Å; L239-Q242 PolarHBondContact O-N 2.79Å; L239-L243 WeakPolarHBondContact O-CG 3.4Å; L239-L243 PolarHBondContact O-N 3.47Å
240L94.5Very high94.6Very high91 Ų9179.2 Ų79.248%0.47639%0.385SS..Hα-helixtrans-63.3-43.3175.6-73.6170.3000111.6R236 E237 Q242 L243 E244R236-L240 HydrophobicContact CG-CD1 4Å; R236-L240 HydrophobicContact CG-CG 4.46Å; R236-L240 WeakPolarHBondContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CG 3.44Å; R236-L240 PolarHBondContact O-N 3.46Å; E237-L240 PolarHBondContact O-N 3.38Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 PolarHBondContact O-N 3.06Å; L240-L243 PolarHBondContact O-N 2.83Å; L240-E244 WeakPolarHBondContact O-CB 3.34Å; L240-E244 PolarHBondContact O-N 3Å
241R93.9Very high94.8Very high124 Ų12482.6 Ų82.647%0.46840%0.403SS..Hα-helixtrans-64.8-31.2175.4-171.7174.5-67.1116.34.2112.8E237 T238 T245E237-R241 WeakPolarHBondContact O-CB 3.45Å; E237-R241 PolarHBondContact O-N 3.14Å; E237-R241 IonicContact OE1-CZ 3.98Å; E237-R241 VanDerWaalsContact OE1-CZ 3.3Å; E237-R241 IonicContact OE1-NH1 3.2Å; E237-R241 PolarHBondContact OE1-NH1 2.64Å; E237-R241 IonicContact OE1-NH2 2.65Å; E237-R241 PolarHBondContact OE1-NH2 3.06Å; T238-R241 PolarHBondContact O-N 3.24Å; R241-T245 WeakPolarHBondContact O-CB 3.4Å; R241-T245 PolarHBondContact O-N 3.34Å; R241-T245 PolarHBondContact O-OG1 2.81Å
242Q92.3Very high94.9Very high113 Ų11384.7 Ų84.753%0.52842%0.42SS..Hα-helixtrans-70.4-38.4173.4-76.5172.8-22.800112.2T238 L239 L240 N246T238-Q242 WeakPolarHBondContact O-CG 3.47Å; T238-Q242 PolarHBondContact O-N 2.95Å; L239-Q242 PolarHBondContact O-N 2.79Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 PolarHBondContact O-N 3.06Å; Q242-N246 VanDerWaalsContact O-CB 3.3Å; Q242-N246 WeakPolarHBondContact O-CB 3.32Å; Q242-N246 PolarHBondContact O-N 2.86Å
243L95.8Very high95.1Very high114 Ų11484.4 Ų84.460%0.59742%0.422SS*.Hα-helixtrans-68.2-41.1173.2-67.8170.2000111.9L239 L240 N246 Q247L239-L243 WeakPolarHBondContact O-CG 3.4Å; L239-L243 PolarHBondContact O-N 3.47Å; L240-L243 PolarHBondContact O-N 2.83Å; L243-N246 PolarHBondContact O-N 3.25Å; L243-Q247 PolarHBondContact O-N 3.37Å
244E97Very high95.3Very high123 Ų12386.3 Ų86.358%0.57543%0.434SS*.Hα-helixtrans-59.2-46.1172.5177.9-179.9-143.600111.6L240 Q247 L248L240-E244 WeakPolarHBondContact O-CB 3.34Å; L240-E244 PolarHBondContact O-N 3Å; E244-Q247 PolarHBondContact O-N 3.49Å; E244-L248 WeakPolarHBondContact O-CG 3.3Å; E244-L248 PolarHBondContact O-N 2.88Å; E244-L248 VanDerWaalsContact O-N 3.12Å
245T96.3Very high95.5Very high70 Ų7091.9 Ų91.943%0.42946%0.459SS..Hα-helixtrans-62.4-46.3174.8-51.90000110.9R241 Q247 L248 D249R241-T245 WeakPolarHBondContact O-CB 3.4Å; R241-T245 PolarHBondContact O-N 3.34Å; R241-T245 PolarHBondContact O-OG1 2.81Å; T245-Q247 VanDerWaalsContact C-N 3.29Å; T245-Q247 PolarHBondContact O-N 2.94Å; T245-L248 PolarHBondContact O-N 3.13Å; T245-L248 VanDerWaalsContact O-N 3.12Å; T245-D249 PolarHBondContact O-N 3.15Å
246N97.4Very high95.6Very high84 Ų8495.8 Ų95.845%0.44948%0.477SS..Hα-helixtrans-66.2-29.4-179.6179.5-136.8000113.2Q242 L243 I250Q242-N246 VanDerWaalsContact O-CB 3.3Å; Q242-N246 WeakPolarHBondContact O-CB 3.32Å; Q242-N246 PolarHBondContact O-N 2.86Å; L243-N246 PolarHBondContact O-N 3.25Å; N246-I250 WeakPolarHBondContact O-CD1 3.5Å; N246-I250 VanDerWaalsContact O-CG1 3.26Å; N246-I250 WeakPolarHBondContact O-CG1 3.3Å; N246-I250 PolarHBondContact O-N 3.01Å; N246-I250 VanDerWaalsContact O-N 3.08Å
247Q97.9Very high95.7Very high98 Ų9892.1 Ų92.146%0.45847%0.47SS..Hα-helixtrans-67.1-46.3170.2-173.862.257.200110.9L243 E244 T245 D249 I250 D251L243-Q247 PolarHBondContact O-N 3.37Å; E244-Q247 PolarHBondContact O-N 3.49Å; T245-Q247 VanDerWaalsContact C-N 3.29Å; T245-Q247 PolarHBondContact O-N 2.94Å; Q247-D249 VanDerWaalsContact C-N 3.3Å; Q247-D249 PolarHBondContact O-N 3.17Å; Q247-I250 WeakPolarHBondContact O-CB 3.41Å; Q247-I250 PolarHBondContact O-N 3.44Å; Q247-I250 VanDerWaalsContact O-N 3.09Å; Q247-D251 PolarHBondContact NE2-OD1 2.82Å; Q247-D251 PolarHBondContact O-N 2.65Å
248L97.8Very high95.8Very high110 Ų11090.6 Ų90.658%0.57647%0.469SS*.Hα-helixtrans-62.6-35.8175.7-66.6172.3000112.5E244 T245 I250 D251 A252E244-L248 WeakPolarHBondContact O-CG 3.3Å; E244-L248 PolarHBondContact O-N 2.88Å; E244-L248 VanDerWaalsContact O-N 3.12Å; T245-L248 PolarHBondContact O-N 3.13Å; T245-L248 VanDerWaalsContact O-N 3.12Å; L248-I250 VanDerWaalsContact C-N 3.35Å; L248-D251 PolarHBondContact O-N 2.97Å; L248-A252 VanDerWaalsContact O-CB 3.25Å; L248-A252 WeakPolarHBondContact O-CB 2.95Å; L248-A252 PolarHBondContact O-N 3.4Å
249D97.8Very high95.8Very high88 Ų8892.8 Ų92.847%0.47148%0.482SS..Hα-helixtrans-62.3-42.1172.4-61.8-34.3000110.9T245 Q247 T253T245-D249 PolarHBondContact O-N 3.15Å; Q247-D249 VanDerWaalsContact C-N 3.3Å; Q247-D249 PolarHBondContact O-N 3.17Å; D249-T253 WeakPolarHBondContact O-CG2 3.35Å; D249-T253 PolarHBondContact O-N 3.32Å; D249-T253 PolarHBondContact O-OG1 3.12Å
250I97.9Very high95.5Very high70 Ų7093.2 Ų93.236%0.35948%0.482SS..Hα-helixtrans-63.5-52.7175.6-71.4162.3000110.2N246 Q247 L248 A252 T253 L254N246-I250 WeakPolarHBondContact O-CD1 3.5Å; N246-I250 VanDerWaalsContact O-CG1 3.26Å; N246-I250 WeakPolarHBondContact O-CG1 3.3Å; N246-I250 PolarHBondContact O-N 3.01Å; N246-I250 VanDerWaalsContact O-N 3.08Å; Q247-I250 WeakPolarHBondContact O-CB 3.41Å; Q247-I250 PolarHBondContact O-N 3.44Å; Q247-I250 VanDerWaalsContact O-N 3.09Å; L248-I250 VanDerWaalsContact C-N 3.35Å; I250-A252 VanDerWaalsContact C-N 3.3Å; I250-A252 PolarHBondContact O-N 2.87Å; I250-T253 PolarHBondContact O-N 3.43Å; I250-T253 VanDerWaalsContact O-N 3.1Å; I250-T253 PolarHBondContact O-OG1 2.8Å; I250-L254 HydrophobicContact CG2-CD1 4Å; I250-L254 HydrophobicContact CG2-CG 4.48Å; I250-L254 WeakPolarHBondContact O-CG 3.23Å; I250-L254 PolarHBondContact O-N 2.81Å
251D98.2Very high95.1Very high71 Ų7196.3 Ų96.338%0.3849%0.494SS..Hα-helixtrans-58.7-42.5-177.7-59.9-21000111.1Q247 L248 L254 E255Q247-D251 PolarHBondContact NE2-OD1 2.82Å; Q247-D251 PolarHBondContact O-N 2.65Å; L248-D251 PolarHBondContact O-N 2.97Å; D251-L254 PolarHBondContact O-N 3.28Å; D251-E255 PolarHBondContact O-N 2.84Å
252A97.9Very high94.6Very high44 Ų4498.3 Ų98.336%0.36451%0.508SS..Hα-helixtrans-64-42.4174.700000112.6L248 I250 L254 E255 E256L248-A252 VanDerWaalsContact O-CB 3.25Å; L248-A252 WeakPolarHBondContact O-CB 2.95Å; L248-A252 PolarHBondContact O-N 3.4Å; I250-A252 VanDerWaalsContact C-N 3.3Å; I250-A252 PolarHBondContact O-N 2.87Å; A252-L254 VanDerWaalsContact C-N 3.28Å; A252-L254 PolarHBondContact O-N 3.36Å; A252-E255 PolarHBondContact O-N 3.11Å; A252-E256 PolarHBondContact O-N 2.92Å
253T97.1Very high94.2Very high70 Ų7095.6 Ų95.643%0.42950%0.5SS..Hα-helixtrans-67.3-27175.456.30000113.4D249 I250 L257D249-T253 WeakPolarHBondContact O-CG2 3.35Å; D249-T253 PolarHBondContact O-N 3.32Å; D249-T253 PolarHBondContact O-OG1 3.12Å; I250-T253 PolarHBondContact O-N 3.43Å; I250-T253 VanDerWaalsContact O-N 3.1Å; I250-T253 PolarHBondContact O-OG1 2.8Å; T253-L257 WeakPolarHBondContact O-CB 3.49Å; T253-L257 WeakPolarHBondContact O-CD1 3.42Å; T253-L257 WeakPolarHBondContact O-CG 3.19Å; T253-L257 PolarHBondContact O-N 3.06Å
254L97Very high93.2Very high104 Ų10497 Ų9755%0.54550%0.504SS..Hα-helixtrans-71.1-38.9172.4-69.8170.7000111.6I250 D251 A252 L257 S258I250-L254 HydrophobicContact CG2-CD1 4Å; I250-L254 HydrophobicContact CG2-CG 4.48Å; I250-L254 WeakPolarHBondContact O-CG 3.23Å; I250-L254 PolarHBondContact O-N 2.81Å; D251-L254 PolarHBondContact O-N 3.28Å; A252-L254 VanDerWaalsContact C-N 3.28Å; A252-L254 PolarHBondContact O-N 3.36Å; L254-L257 PolarHBondContact O-N 2.76Å; L254-S258 PolarHBondContact O-N 2.77Å
255E96.4Very high92.3Very high134 Ų13497.5 Ų97.563%0.62651%0.51SS*.Hα-helixtrans-66.1-44.7172.7-172.2177-176.300111.8D251 A252 L257 S258 V259D251-E255 PolarHBondContact O-N 2.84Å; A252-E255 PolarHBondContact O-N 3.11Å; E255-L257 VanDerWaalsContact C-N 3.25Å; E255-L257 PolarHBondContact O-N 2.61Å; E255-S258 PolarHBondContact O-N 3.4Å; E255-S258 PolarHBondContact O-OG 3.35Å; E255-S258 VanDerWaalsContact O-OG 3.08Å; E255-V259 WeakPolarHBondContact O-CG2 3.21Å; E255-V259 PolarHBondContact O-N 2.55Å
256E95.3Very high91.5Very high122 Ų122100.3 Ų100.357%0.5752%0.518SS*.Hα-helixtrans-58.2-38173.5-75.4-174.5177.400112.1A252 Q260A252-E256 PolarHBondContact O-N 2.92Å; E256-Q260 WeakPolarHBondContact O-CB 3.37Å; E256-Q260 VanDerWaalsContact O-CG 3.22Å; E256-Q260 WeakPolarHBondContact O-CG 3.04Å; E256-Q260 PolarHBondContact O-N 2.68Å; E256-Q260 PolarHBondContact O-NE2 3.2Å
257L93.6Very high90.8Very high100 Ų100100 Ų10052%0.52452%0.517SS..Hα-helixtrans-75-36.1177.8-75.1170.8000113.1T253 L254 E255 Q260 Q261T253-L257 WeakPolarHBondContact O-CB 3.49Å; T253-L257 WeakPolarHBondContact O-CD1 3.42Å; T253-L257 WeakPolarHBondContact O-CG 3.19Å; T253-L257 PolarHBondContact O-N 3.06Å; L254-L257 PolarHBondContact O-N 2.76Å; E255-L257 VanDerWaalsContact C-N 3.25Å; E255-L257 PolarHBondContact O-N 2.61Å; L257-Q260 PolarHBondContact O-N 3.33Å; L257-Q261 WeakPolarHBondContact O-CB 3.42Å; L257-Q261 PolarHBondContact O-N 2.64Å
258S93.4Very high90.1Very high52 Ų52102.8 Ų102.836%0.36452%0.524SS..Hα-helixtrans-68.3-41.417565.30000111.4L254 E255 Q260 Q261 E262L254-S258 PolarHBondContact O-N 2.77Å; E255-S258 PolarHBondContact O-N 3.4Å; E255-S258 PolarHBondContact O-OG 3.35Å; E255-S258 VanDerWaalsContact O-OG 3.08Å; S258-Q260 VanDerWaalsContact C-N 3.33Å; S258-Q260 PolarHBondContact O-N 2.79Å; S258-Q261 PolarHBondContact O-N 3.24Å; S258-Q261 VanDerWaalsContact O-N 3.14Å; S258-E262 WeakPolarHBondContact O-CG 3.26Å; S258-E262 PolarHBondContact O-N 2.91Å
259V91.9Very high89.5Confident80 Ų80105.1 Ų105.149%0.48553%0.532SS..Hα-helixtrans-62.7-40.4173.8174.10000111.1E255 Q261 E262 T263E255-V259 WeakPolarHBondContact O-CG2 3.21Å; E255-V259 PolarHBondContact O-N 2.55Å; V259-Q261 PolarHBondContact O-N 2.89Å; V259-E262 PolarHBondContact O-N 3Å; V259-T263 PolarHBondContact O-N 3.44Å; V259-T263 PolarHBondContact O-OG1 3.08Å
260Q86.6Confident88.9Confident95 Ų95103.6 Ų103.644%0.44452%0.524SS..Hα-helixtrans-63.1-38.8172.5-77.7169.254.600112.5E256 L257 S258 E262 T263 Q266E256-Q260 WeakPolarHBondContact O-CB 3.37Å; E256-Q260 VanDerWaalsContact O-CG 3.22Å; E256-Q260 WeakPolarHBondContact O-CG 3.04Å; E256-Q260 PolarHBondContact O-N 2.68Å; E256-Q260 PolarHBondContact O-NE2 3.2Å; L257-Q260 PolarHBondContact O-N 3.33Å; S258-Q260 VanDerWaalsContact C-N 3.33Å; S258-Q260 PolarHBondContact O-N 2.79Å; Q260-E262 VanDerWaalsContact C-N 3.33Å; Q260-T263 WeakPolarHBondContact O-CB 3.42Å; Q260-T263 PolarHBondContact O-N 2.81Å; Q260-T263 VanDerWaalsContact O-N 3.12Å; Q260-Q266 WeakPolarHBondContact O-CB 3.47Å; Q260-Q266 WeakPolarHBondContact O-CG 3.15Å
261Q84.9Confident88.3Confident157 Ų157104.5 Ų104.573%0.73453%0.525SS*.Hα-helixtrans-67.7-31.8176.4-174175.43.200112.9L257 S258 V259 T263L257-Q261 WeakPolarHBondContact O-CB 3.42Å; L257-Q261 PolarHBondContact O-N 2.64Å; S258-Q261 PolarHBondContact O-N 3.24Å; S258-Q261 VanDerWaalsContact O-N 3.14Å; V259-Q261 PolarHBondContact O-N 2.89Å; Q261-T263 VanDerWaalsContact C-N 3.29Å
262E83.7Confident87.8Confident165 Ų165104.6 Ų104.677%0.77153%0.525SS*.Hα-helixtrans-77.7-13.1171.6-70.2177.3-170.200113.1S258 V259 Q260S258-E262 WeakPolarHBondContact O-CG 3.26Å; S258-E262 PolarHBondContact O-N 2.91Å; V259-E262 PolarHBondContact O-N 3Å; Q260-E262 VanDerWaalsContact C-N 3.33Å
263T84.7Confident87.3Confident57 Ų57108.8 Ų108.835%0.3554%0.537SS..SBendtrans-80.1139.3-179.6-58.20000111.3V259 Q260 Q261 D265 Q266V259-T263 PolarHBondContact O-N 3.44Å; V259-T263 PolarHBondContact O-OG1 3.08Å; Q260-T263 WeakPolarHBondContact O-CB 3.42Å; Q260-T263 PolarHBondContact O-N 2.81Å; Q260-T263 VanDerWaalsContact O-N 3.12Å; Q261-T263 VanDerWaalsContact C-N 3.29Å; T263-D265 HydrophobicContact CG2-CB 4.21Å; T263-D265 PolarHBondContact O-N 3.45Å; T263-Q266 PolarHBondContact O-N 3.08Å
264E74.6Confident86.7Confident144 Ų144111 Ų11167%0.67354%0.544SS*.G310 helixtrans-50.1-30.7177.6-81.5-178.5-168.700114.2Q266 N267 L270E264-Q266 VanDerWaalsContact C-N 3.26Å; E264-Q266 PolarHBondContact O-N 3.31Å; E264-N267 WeakPolarHBondContact O-CB 3.44Å; E264-N267 PolarHBondContact O-N 3.42Å; E264-L270 HydrophobicContact CB-CD2 3.59Å; E264-L270 HydrophobicContact CG-CD2 3.69Å
265D77.2Confident86.2Confident133 Ų133111 Ų11171%0.71154%0.543SS*.G310 helixtrans-64.1-20.8176.8-71.4-40.5000114.7T263T263-D265 HydrophobicContact CG2-CB 4.21Å; T263-D265 PolarHBondContact O-N 3.45Å
266Q79.3Confident85.8Confident128 Ų128109.2 Ų109.260%0.59853%0.534SS*.G310 helixtrans-99.1-4.7172.8-65.3-57.2-73.500113Q260 T263 E264 Y268Q260-Q266 WeakPolarHBondContact O-CB 3.47Å; Q260-Q266 WeakPolarHBondContact O-CG 3.15Å; T263-Q266 PolarHBondContact O-N 3.08Å; E264-Q266 VanDerWaalsContact C-N 3.26Å; E264-Q266 PolarHBondContact O-N 3.31Å; Q266-Y268 PolarHBondContact O-N 2.86Å; Q266-Y268 VanDerWaalsContact O-N 3.11Å
267N84.7Confident85.4Confident78 Ų78106.5 Ų106.542%0.41753%0.533SS..  trans-76.4100.9176.1-176.8-4.5000110.7E264 E269 L270 F271E264-N267 WeakPolarHBondContact O-CB 3.44Å; E264-N267 PolarHBondContact O-N 3.42Å; N267-E269 VanDerWaalsContact C-N 3.26Å; N267-E269 PolarHBondContact O-N 2.56Å; N267-E269 PolarHBondContact OD1-N 3.45Å; N267-E269 VanDerWaalsContact OD1-N 3.14Å; N267-L270 HydrophobicContact CB-CB 4.13Å; N267-L270 PolarHBondContact O-N 3.41Å; N267-L270 VanDerWaalsContact O-N 3.14Å; N267-F271 PolarHBondContact O-N 3.4Å
268Y83.3Confident84.9Confident157 Ų157110.6 Ų110.662%0.61654%0.541SS*.Hα-helixtrans-59.4-31.1-177.6-172.3-113.8000114Q266 F271 L272Q266-Y268 PolarHBondContact O-N 2.86Å; Q266-Y268 VanDerWaalsContact O-N 3.11Å; Y268-F271 HydrophobicContact CD2-CD1 4.14Å; Y268-F271 HydrophobicContact CE2-CD1 4.11Å; Y268-F271 HydrophobicContact CE2-CE1 4.48Å; Y268-F271 PolarHBondContact O-N 3.35Å; Y268-L272 HydrophobicContact CD1-CD1 3.94Å; Y268-L272 HydrophobicContact CD1-CG 4.36Å; Y268-L272 HydrophobicContact CE1-CD1 3.57Å; Y268-L272 HydrophobicContact CE1-CD2 4.44Å; Y268-L272 HydrophobicContact CE1-CG 4.03Å; Y268-L272 HydrophobicContact CE2-CG 4.45Å; Y268-L272 WeakPolarHBondContact O-CG 3.41Å; Y268-L272 PolarHBondContact O-N 2.92Å
269E84.9Confident84.2Confident158 Ų158111.5 Ų111.574%0.73855%0.548SS*.Hα-helixtrans-69.8-40.2177.1-63.9-167.1163.900111.7N267 L272 E273N267-E269 VanDerWaalsContact C-N 3.26Å; N267-E269 PolarHBondContact O-N 2.56Å; N267-E269 PolarHBondContact OD1-N 3.45Å; N267-E269 VanDerWaalsContact OD1-N 3.14Å; E269-L272 PolarHBondContact O-N 2.99Å; E269-E273 PolarHBondContact O-N 2.97Å
270L84.1Confident83.4Confident57 Ų57116 Ų11630%0.29856%0.556SS.*Hα-helixtrans-69.4-36.2175.1-17664.3000111.8E264 N267 E273 M274E264-L270 HydrophobicContact CB-CD2 3.59Å; E264-L270 HydrophobicContact CG-CD2 3.69Å; N267-L270 HydrophobicContact CB-CB 4.13Å; N267-L270 PolarHBondContact O-N 3.41Å; N267-L270 VanDerWaalsContact O-N 3.14Å; L270-E273 PolarHBondContact O-N 3.23Å; L270-M274 WeakPolarHBondContact O-CB 3.23Å; L270-M274 PolarHBondContact O-N 3.1Å
271F85.1Confident82.1Confident89 Ų89114.1 Ų114.139%0.3956%0.562SS.*Hα-helixtrans-60.9-42.7170.8173.2-95.7000112N267 Y268 M274 M275N267-F271 PolarHBondContact O-N 3.4Å; Y268-F271 HydrophobicContact CD2-CD1 4.14Å; Y268-F271 HydrophobicContact CE2-CD1 4.11Å; Y268-F271 HydrophobicContact CE2-CE1 4.48Å; Y268-F271 PolarHBondContact O-N 3.35Å; F271-M274 HydrophobicContact CD2-CE 4.36Å; F271-M274 PolarHBondContact O-N 2.89Å; F271-M275 HydrophobicContact CE1-CE 4.33Å; F271-M275 HydrophobicContact CE1-CG 4.03Å; F271-M275 HydrophobicContact CZ-CE 3.86Å; F271-M275 HydrophobicContact CZ-CG 4.05Å; F271-M275 WeakPolarHBondContact O-CB 3.35Å; F271-M275 PolarHBondContact O-N 3.45Å
272L88.9Confident80.8Confident73 Ų73114 Ų11438%0.38256%0.561SS.*Hα-helixtrans-64.2-43.6173.8-74.5176.1000111.8Y268 E269 M274 M275 E276Y268-L272 HydrophobicContact CD1-CD1 3.94Å; Y268-L272 HydrophobicContact CD1-CG 4.36Å; Y268-L272 HydrophobicContact CE1-CD1 3.57Å; Y268-L272 HydrophobicContact CE1-CD2 4.44Å; Y268-L272 HydrophobicContact CE1-CG 4.03Å; Y268-L272 HydrophobicContact CE2-CG 4.45Å; Y268-L272 WeakPolarHBondContact O-CG 3.41Å; Y268-L272 PolarHBondContact O-N 2.92Å; E269-L272 PolarHBondContact O-N 2.99Å; L272-M274 VanDerWaalsContact C-N 3.33Å; L272-M274 PolarHBondContact O-N 3.49Å; L272-M275 WeakPolarHBondContact O-CB 3.43Å; L272-M275 PolarHBondContact O-N 2.85Å; L272-E276 PolarHBondContact O-N 2.9Å
273E87.9Confident79.2Confident131 Ų131111.9 Ų111.961%0.61256%0.56SS**Hα-helixtrans-61.5-41.3175.4-176.2169.7-157.800111.7E269 L270 E276 A277E269-E273 PolarHBondContact O-N 2.97Å; L270-E273 PolarHBondContact O-N 3.23Å; E273-E276 PolarHBondContact O-N 3.48Å; E273-A277 WeakPolarHBondContact O-CB 3.38Å; E273-A277 PolarHBondContact O-N 3.3Å
274M84.5Confident77.8Confident116 Ų116114.2 Ų114.257%0.57158%0.579SS**Hα-helixtrans-64.7-40.6174.8176.1168.148.500112.5L270 F271 L272 R278L270-M274 WeakPolarHBondContact O-CB 3.23Å; L270-M274 PolarHBondContact O-N 3.1Å; F271-M274 HydrophobicContact CD2-CE 4.36Å; F271-M274 PolarHBondContact O-N 2.89Å; L272-M274 VanDerWaalsContact C-N 3.33Å; L272-M274 PolarHBondContact O-N 3.49Å; M274-R278 WeakPolarHBondContact O-CB 3.39Å; M274-R278 PolarHBondContact O-N 3.43Å
275M85.6Confident76.8Confident106 Ų106113.2 Ų113.252%0.52259%0.585SS.*Hα-helixtrans-59.4-46.1171.3-92.6-74.3-156.300111.6F271 L272 R278 S279F271-M275 HydrophobicContact CE1-CE 4.33Å; F271-M275 HydrophobicContact CE1-CG 4.03Å; F271-M275 HydrophobicContact CZ-CE 3.86Å; F271-M275 HydrophobicContact CZ-CG 4.05Å; F271-M275 WeakPolarHBondContact O-CB 3.35Å; F271-M275 PolarHBondContact O-N 3.45Å; L272-M275 WeakPolarHBondContact O-CB 3.43Å; L272-M275 PolarHBondContact O-N 2.85Å; M275-R278 PolarHBondContact O-N 3.12Å; M275-S279 PolarHBondContact O-N 2.97Å
276E88.8Confident75.3Confident96 Ų96114.1 Ų114.145%0.44959%0.589SS.*Hα-helixtrans-69-41.1178.8-77.6-159.9-153.600113.1L272 E273 R278 S279 R280L272-E276 PolarHBondContact O-N 2.9Å; E273-E276 PolarHBondContact O-N 3.48Å; E276-R278 PolarHBondContact O-N 3.43Å; E276-S279 PolarHBondContact O-N 3.16Å; E276-S279 PolarHBondContact O-OG 3.33Å; E276-S279 VanDerWaalsContact O-OG 3.13Å; E276-R280 WeakPolarHBondContact O-CB 3.4Å; E276-R280 WeakPolarHBondContact O-CG 3.2Å; E276-R280 PolarHBondContact O-N 3.47Å; E276-R280 IonicContact OE2-CZ 2.65Å; E276-R280 IonicContact OE2-NE 3.48Å; E276-R280 IonicContact OE2-NH2 2.67Å; E276-R280 PolarHBondContact OE2-NH2 3.33Å
277A85.1Confident73.6Confident65 Ų65114 Ų11454%0.53760%0.596SS.*Hα-helixtrans-58.6-39.7173.900000110.9E273 G281E273-A277 WeakPolarHBondContact O-CB 3.38Å; E273-A277 PolarHBondContact O-N 3.3Å; A277-G281 PolarHBondContact O-N 3.11Å; A277-G281 VanDerWaalsContact O-N 3.15Å
278R83.5Confident71.2Confident185 Ų185116.4 Ų116.470%0.69861%0.614SS**Hα-helixtrans-70.2-40.2176.4-168.5174.5-175.3173.30.6113M274 M275 E276 G281M274-R278 WeakPolarHBondContact O-CB 3.39Å; M274-R278 PolarHBondContact O-N 3.43Å; M275-R278 PolarHBondContact O-N 3.12Å; E276-R278 PolarHBondContact O-N 3.43Å; R278-G281 PolarHBondContact O-N 3.34Å
279S80Confident69Low72 Ų72116.7 Ų116.750%0.50363%0.627SS.*Hα-helixtrans-72.1-43.9179.871.80000112.3M275 E276 G281 H282M275-S279 PolarHBondContact O-N 2.97Å; E276-S279 PolarHBondContact O-N 3.16Å; E276-S279 PolarHBondContact O-OG 3.33Å; E276-S279 VanDerWaalsContact O-OG 3.13Å; S279-G281 PolarHBondContact O-N 3.39Å; S279-H282 PolarHBondContact O-N 3.32Å
280R73.7Confident66.7Low173 Ų173112.4 Ų112.465%0.65362%0.624SS**Hα-helixtrans-60-29.4171.8-64.5177.7-154.1174.38.8111.8E276 H282E276-R280 WeakPolarHBondContact O-CB 3.4Å; E276-R280 WeakPolarHBondContact O-CG 3.2Å; E276-R280 PolarHBondContact O-N 3.47Å; E276-R280 IonicContact OE2-CZ 2.65Å; E276-R280 IonicContact OE2-NE 3.48Å; E276-R280 IonicContact OE2-NH2 2.67Å; E276-R280 PolarHBondContact OE2-NH2 3.33Å; R280-H282 PolarHBondContact O-N 3.04Å
281G60.5Low64.4Low56 Ų56119.4 Ų119.458%0.57766%0.655SS**THydrogen-bonded Turntrans-70-3.5174.400000116A277 R278 S279A277-G281 PolarHBondContact O-N 3.11Å; A277-G281 VanDerWaalsContact O-N 3.15Å; R278-G281 PolarHBondContact O-N 3.34Å; S279-G281 PolarHBondContact O-N 3.39Å
282H56.3Low62.2Low155 Ų155120.5 Ų120.572%0.71868%0.675SS**THydrogen-bonded Turntrans-1221.7-174.9-77.4-0000115.8S279 R280 S284S279-H282 PolarHBondContact O-N 3.32Å; R280-H282 PolarHBondContact O-N 3.04Å; H282-S284 PolarHBondContact O-N 3.23Å
283T49.9Very low60.3Low121 Ų121122.9 Ų122.974%0.74269%0.694SS**  trans-91.289.917256.50000112
284S56.8Low57.7Low106 Ų106121.4 Ų121.474%0.74170%0.698SS**  trans-73.5169.1-178.674.80000115.1H282H282-S284 PolarHBondContact O-N 3.23Å
285P52.6Low55.5Low123 Ų123121.7 Ų121.780%0.79971%0.712SS**  -149.6135.210436.8-19.6000118.4
286L46.4Very low53.1Low152 Ų152119.9 Ų119.980%0.79672%0.72SS**  trans43.3144.1132.4-149.170.3000124.1
287T43Very low50.7Low124 Ų124120.6 Ų120.676%0.76174%0.736SS**  trans79.7142.8168.379.70000115.7
288T35.3Very low48.3Very low129 Ų129126.5 Ų126.579%0.79175%0.752SS**  cis-132.3-179.4854.90000112.9
289N36.4Very low46.2Very low164 Ų164122.9 Ų122.988%0.87776%0.756SS**  trans-35.2153.5169.2-53.9-17.6000115.8
290G36.4Very low44.8Very low67 Ų67124.6 Ų124.669%0.69177%0.765SS**  cis144.1153.60.600000112.9
291Q36.4Very low42.8Very low204 Ų204123.4 Ų123.495%0.95377%0.77SS**  trans69.9128172.6-59.7-177.4-61.100119.7
292S39.2Very low41.8Very low113 Ų113126.9 Ų126.979%0.7978%0.779SS**  trans-73164165.1-25.90000111.8
293P47.6Very low41.7Very low123 Ų123125 Ų12580%0.79978%0.781SS**  -134161.571.815.59.1000113.2
294S34.2Very low41.7Very low100 Ų100124.4 Ų124.470%0.69978%0.779SS**  cis79.5106.248.8166.70000117.2
295S37.8Very low40.4Very low122 Ų122124.2 Ų124.285%0.85378%0.778SS**  trans77.8143.5138.5-52.10000122.4
296G34.5Very low39.3Very low67 Ų67123.9 Ų123.969%0.69178%0.779SS**  trans105.186.5164.500000114.7
297S39Very low38.7Very low112 Ų112123 Ų12378%0.78378%0.779SS**  68.3124.366.486.80000115.9
298Q35.7Very low38.3Very low188 Ų188121.3 Ų121.388%0.87977%0.773SS**  176.7147.9129-84.8-87.2-17.900109.4
299S37.8Very low38.1Very low110 Ų110122 Ų12277%0.76978%0.777SS**  trans-103.4-152-175.6-37.10000110.2
300P51Low37.8Very low107 Ų107117.5 Ų117.570%0.69577%0.77SS**  cis-147.8-175.415.645-23.4000119.2
301I32Very low37.7Very low149 Ų149119.8 Ų119.876%0.76478%0.775SS**  trans76.897.6153.5-76.5158.7000119
302V40.2Very low37.4Very low128 Ų128114.7 Ų114.778%0.77676%0.762SS**  58.3152.978.6-75.60000118.5
303P53.7Low37.2Very low116 Ų116114.8 Ų114.875%0.75376%0.762SS**  cis-129.1-152.8-21.238.7-19.1000111.1
304P49.9Very low37Very low109 Ų109115.2 Ų115.271%0.70877%0.765SS**  cis-117.6164.5-22.738.3-23000113.1
305S28.8Very low36.7Very low101 Ų101114.1 Ų114.171%0.70677%0.769SS**  -177.3165.174.7-60.80000112.8
306S30.5Very low36.6Very low117 Ų117115.1 Ų115.182%0.81877%0.771SS**  trans50.195.9160.555.80000119.1
307T33.1Very low36.8Very low132 Ų132117.8 Ų117.881%0.8178%0.776SS**  trans-72141.8159.848.50000111.3
308S34.2Very low36.4Very low89 Ų89118.8 Ų118.862%0.62277%0.768SS**  cis110.6120.511.473.20000114.6
309T31.8Very low36.5Very low144 Ų144114.5 Ų114.588%0.88376%0.757SS**  trans61.5155.4155.254.70000119.2
310G30.2Very low36.4Very low70 Ų70115.3 Ų115.372%0.72276%0.76SS**  cis157.7171.3-5.300000113.7
311S33.3Very low35.6Very low115 Ų115116.4 Ų116.480%0.80476%0.755SS**  trans-54.3159.9170.5-1630000112.2
312S32.2Very low36.1Very low96 Ų96113.4 Ų113.467%0.67175%0.745SS**  cis-165.1175.736.8-54.20000115
313S34.5Very low35.5Very low115 Ų115113.6 Ų113.680%0.80474%0.741SS**  trans95.5149.2141.2-61.40000120.6
314P43.5Very low34.2Very low133 Ų133112.5 Ų112.586%0.86474%0.737SS**  trans-102.6169.7-167.440.8-36.6000115.2
315G28.1Very low33.3Very low76 Ų76113.4 Ų113.478%0.78474%0.74SS**  trans-156.6153171.100000112.4
316T35Very low33.5Very low143 Ų143113.9 Ų113.988%0.87774%0.743SS**  trans-81.2153.4-171.4360000114.5
317P38.3Very low33.5Very low124 Ų124114 Ų11481%0.80575%0.745SS**  trans-102.7126.4-170.136.4-32.1000115.4
318Q30.2Very low33.4Very low132 Ų132113.7 Ų113.762%0.61774%0.742SS**  trans-155.5173.1152.8-121-152.3-25.100111.8F376Q318-F376 PolarHBondContact NE2-O 3.48Å; Q318-F376 VanDerWaalsContact NE2-O 3.12Å
319P39.3Very low33.4Very low98 Ų98115.4 Ų115.464%0.63675%0.749SS**  -120.7159.2-111.440.5-27.6000116.2
320P35.7Very low33.5Very low128 Ų128113.9 Ų113.983%0.83174%0.744SS**  trans-88.4150.7177.534.5-34.9000114.6
321Q32.6Very low34.2Very low130 Ų130116.4 Ų116.461%0.60775%0.748SS**  trans-129.2161.1163.8-74.2-141.7-62.500111.1
322P42.5Very low34Very low85 Ų85118.5 Ų118.555%0.55275%0.745SS**  trans-123.4158.7-142.541.2-31.8000117.5
323L28.6Very low34.7Very low132 Ų132119.8 Ų119.869%0.69175%0.751SS**  trans149.3151.7159-84.2156.7000108
324S26.5Very low34.6Very low94 Ų94118.8 Ų118.866%0.65774%0.744SS**  cis-158.1-175.26.9-138.60000111.9
325T30.4Very low34.1Very low127 Ų127118 Ų11878%0.77974%0.741SS**  trans80.8137.2-175.4770000115
326S32.8Very low34.3Very low111 Ų111118.2 Ų118.278%0.77673%0.731SS**  cis82.2125.325.4790000114.9
327S30.1Very low34Very low121 Ų121120.2 Ų120.285%0.84673%0.728SS**  cis-138.6-15122.957.80000115
328T31.7Very low33.6Very low124 Ų124119.4 Ų119.476%0.76173%0.725SS**  trans-143.6118.8-143.3-60.10000117.7
329V34.4Very low34Very low126 Ų126118.8 Ų118.876%0.76473%0.733SS**  trans54.5139.7134.2-175.10000123.9
330S33.1Very low33.6Very low112 Ų112120.6 Ų120.678%0.78374%0.742SS**  trans76.3156.3159.1-83.60000119
331P45.4Very low34Very low122 Ų122120.3 Ų120.379%0.79274%0.74SS**  cis-144.2-154.842.145.6-24.3000118.6
332E29.6Very low34.1Very low159 Ų159118.3 Ų118.374%0.74375%0.745SS**  trans-56.6169.3-172-66.8166.472.200120.9
333P46.1Very low34.2Very low124 Ų124119.5 Ų119.581%0.80575%0.753SS**  trans-99.2155.8141.238.1-29.5000113.4
334S33.1Very low34.3Very low94 Ų94120.3 Ų120.366%0.65776%0.758SS**  trans-145177.1-166.4-43.80000115.8
335S33.3Very low34.5Very low115 Ų115121.1 Ų121.180%0.80476%0.759SS**  trans98.2143.9169.8-48.30000116.1
336S31.6Very low34.6Very low82 Ų82123.8 Ų123.857%0.57376%0.763SS**  cis-173.6150.8-10.443.50000108.2
337F29.1Very low34.7Very low185 Ų185127 Ų12781%0.81177%0.765SS**  -168.7155.757-85.5-78.8000114
338S30.3Very low35.4Very low106 Ų106126.4 Ų126.474%0.74176%0.759SS**  trans43.2131.3141.5-52.80000125
339P38.2Very low35.4Very low119 Ų119129 Ų12977%0.77376%0.762SS**  trans-111-172.8162.639.8-30.2000114.7
340V30.7Very low35.3Very low137 Ų137126.5 Ų126.583%0.8376%0.755SS**  trans81.7137.7173.7-177.50000113.4
341P43.9Very low36.3Very low121 Ų121127.2 Ų127.279%0.78676%0.756SS**  cis-125.8177.628.943.2-29.2000118.7
342A34.2Very low37.3Very low88 Ų88126.7 Ų126.773%0.72775%0.753SS**  trans-97.9178.4168.700000111.6
343P45.8Very low38.6Very low111 Ų111124.9 Ų124.972%0.72176%0.755SS**  -150.816982.941.2-23.9000117.4
344D30.8Very low38.1Very low149 Ų149122.8 Ų122.880%0.79775%0.748SS**  trans60.9154.2153.4-92.9-70.2000119.7
345V30.6Very low37.9Very low111 Ų111125.1 Ų125.167%0.67376%0.759SS**  cis-140.314722.9-178.80000112.8
346Q30.9Very low37.8Very low182 Ų182124.3 Ų124.385%0.8576%0.759SS**  trans67.1108.4157.2-79.9160.9-4.500123.4
347Q35.7Very low37.6Very low178 Ų178125.9 Ų125.983%0.83277%0.77SS**  trans-73.8174.6144.3-120.6-172.926.100111.2
348P44.6Very low38.3Very low109 Ų109123 Ų12371%0.70877%0.77SS**  cis-136.3-161.746.742.6-22000112.8
349H32Very low38.3Very low179 Ų179122.8 Ų122.883%0.82977%0.774SS**  cis-149.1-171.25.3-150.18.7000112.4
350A32.3Very low38Very low74 Ų74125.1 Ų125.161%0.61278%0.779SS**  trans-157.7-157.2-163.300000112.9
351P55Low38.5Very low126 Ų126124.9 Ų124.982%0.81878%0.781SS**  -130.5-125.8-7741.4-21.6000115.7
352P66.6Low37.8Very low111 Ų111124.1 Ų124.172%0.72179%0.785SS**  trans-137.1-154.8-138.245.2-20.3000115.9
353P55.5Low37.6Very low122 Ų122124.8 Ų124.879%0.79279%0.79SS**  trans-141.4175.7133.437.5-23.4000113.5
354A36.4Very low37Very low80 Ų80126.2 Ų126.266%0.66180%0.797SS**  cis-174.2172-32.200000110.5
355T28.8Very low37.6Very low143 Ų143124.4 Ų124.488%0.87779%0.793SS**  trans69.8146.8165.165.60000120.1
356A30.4Very low37.8Very low97 Ų97125.4 Ų125.480%0.80280%0.802SS**  cis-165.5164.2-21.400000111.2
357S28.2Very low37.9Very low115 Ų115124.5 Ų124.580%0.80480%0.797SS**  trans-119.3164.9178.5-49.30000112.1
358P44.5Very low38Very low125 Ų125124.8 Ų124.881%0.81280%0.796SS**  -158.5157.7101.839.6-20.5000120
359A28.3Very low37.5Very low101 Ų101127.7 Ų127.784%0.83579%0.793SS**  trans70.5158.4142.900000124.1
360L32.8Very low37.5Very low168 Ų168124.3 Ų124.388%0.8879%0.789SS**  trans-123.2169.3-177.6-69.1168.2000111.3
361P40.9Very low38.1Very low133 Ų133128.6 Ų128.686%0.86480%0.8SS**  -143-178.7100.137.1-20.6000115.8
362A30.5Very low37.1Very low105 Ų105129.9 Ų129.987%0.86880%0.799SS**  trans-98165.2-156.200000118.5
363A29Very low35.5Very low102 Ų102128.9 Ų128.984%0.84379%0.794SS**  trans-160173.8158.300000112.2
364V33.2Very low35Very low141 Ų141133.1 Ų133.186%0.85579%0.794SS**  trans-124.8149.9-161.4179.40000112.8
365P43.2Very low34.9Very low110 Ų110136.3 Ų136.371%0.71480%0.799SS**  trans-99.5160-17038-36.9000117.2
366P35.9Very low35.2Very low132 Ų132138.5 Ų138.586%0.85780%0.797SS**  trans-96.7176.4174.638.5-35.2000114.8
367Q33.3Very low35.1Very low163 Ų163136.4 Ų136.476%0.76279%0.785SS**  trans-128.3152.3-168.2-60-172.48.700116.3
368K36.1Very low35.2Very low184 Ų184137.2 Ų137.280%0.879%0.785SS**  trans32.7133141.8-60.9173179.6176.40120.7
369R35.5Very low34.6Very low170 Ų170137 Ų13764%0.64279%0.787SS**  -169.3169.8110-109.7178.4165.5-150.7-6.5114.8
370S31.4Very low35.4Very low108 Ų108138.2 Ų138.276%0.75579%0.786SS**  trans-121.3163.7-174.7-175.60000111.7
371I44.3Very low35.1Very low165 Ų165134.6 Ų134.685%0.84678%0.781SS**  trans-129.590.2-168.6-51172.6000110.9
372I35.1Very low34.5Very low153 Ų153133.1 Ų133.179%0.78577%0.774SS**  trans-145.2115.6165-52.5178.3000109.6
373S31.9Very low34.3Very low89 Ų89136.6 Ų136.662%0.62277%0.772SS**  trans162.1120153.1-78.90000110.8
374R44.5Very low34.7Very low211 Ų211137.6 Ų137.680%0.79677%0.77SS**  trans171111.5142.7-95.1157.9-163.6-166.65.5111
375L34.5Very low34.6Very low147 Ų147135.5 Ų135.577%0.7776%0.761SS**  trans-138.7134.3159.8-94.4169.7000106.1
376F35.2Very low34.9Very low189 Ų189135.8 Ų135.883%0.82976%0.763SS**  trans62.2152.5179.5-55.6-78.4000118Q318Q318-F376 PolarHBondContact NE2-O 3.48Å; Q318-F376 VanDerWaalsContact NE2-O 3.12Å
377G28.3Very low35.5Very low53 Ų53135.7 Ų135.755%0.54676%0.762SS.*  trans122.8134.8-176.300000112.7
378T31.6Very low35.5Very low133 Ų133135.7 Ų135.782%0.81676%0.762SS**  trans-127.4135.5-158.253.20000116.3
379S31.6Very low36.1Very low120 Ų120131.9 Ų131.984%0.83976%0.756SS**  trans61.6161.5145.5-67.20000121.5
380P44.8Very low35.9Very low126 Ų126130.2 Ų130.282%0.81876%0.76SS**  trans-132.1172.8-150.943.7-28.5000117.7
381A25.5Very low35.8Very low93 Ų93129 Ų12977%0.76976%0.757SS**  trans-164.1159.9157.500000109.9
382S29.2Very low35.1Very low102 Ų102125.8 Ų125.871%0.71376%0.755SS**  cis-167.1149.3-28.4-89.70000109.7
383E25.8Very low35Very low178 Ų178123.6 Ų123.683%0.83276%0.76SS**  trans64.9162163-121.9135178.200117.4
384P38.8Very low34.9Very low123 Ų123124.6 Ų124.680%0.79977%0.773SS**  cis-124.5168.39.341.9-25.9000119.6
385S29.3Very low34.3Very low97 Ų97119 Ų11968%0.67877%0.772SS**  trans-96178.817271.10000111.3
386P50.6Low34.6Very low115 Ų115117.9 Ų117.975%0.74777%0.774SS**  -145.7-159.56243.7-22.6000112.3
387P47.3Very low35.1Very low130 Ų130113.9 Ų113.984%0.84477%0.767SS**  cis-127.5-171.8-5.742-23.9000116.2
388Q33.8Very low35Very low163 Ų163120.6 Ų120.676%0.76278%0.783SS**  trans-101.4-174-164.3-136.8-159.8-18.300113.7
389P48.7Very low35.4Very low104 Ų104119.8 Ų119.868%0.67578%0.78SS**  cis-125.3-163.846.944.4-28.5000113
390D30.7Very low35.4Very low135 Ų135123.1 Ų123.172%0.72278%0.783SS**  cis-159.4174.67.5-146.2-20.9000113.8
391A29.7Very low34.8Very low84 Ų84121.2 Ų121.269%0.69478%0.778SS**  trans50.6119145.100000125.3
392A29.5Very low35.3Very low97 Ų97122.3 Ų122.380%0.80278%0.78SS**  trans91.171.5130.700000124.1
393A32.9Very low35.9Very low107 Ų107122.7 Ų122.788%0.88479%0.789SS**  44.2119.7124.600000124.8
394A30.5Very low36.6Very low109 Ų109122.7 Ų122.790%0.90179%0.786SS**  trans-177.1165134.200000112.2
395A30.9Very low36.9Very low93 Ų93121.4 Ų121.477%0.76978%0.776SS**  trans-163.6178.4-179.200000111.5
396P41Very low37.5Very low124 Ų124125.1 Ų125.181%0.80578%0.783SS**  cis-121-126.7-30.723.71.5000111.8
397P45.5Very low37.4Very low106 Ų106122.9 Ų122.969%0.68877%0.77SS**  -122.5166.2-103.340.3-25.5000116.7
398H27.8Very low37.6Very low193 Ų193122.7 Ų122.789%0.89477%0.766SS**  trans-156.4159.8153.1-103.8-78000110.5
399P38.7Very low38.5Very low116 Ų116121.8 Ų121.875%0.75376%0.762SS**  trans-95.8156.6-161.436.6-36.1000116.4
400E31.3Very low38.9Very low190 Ų190121.9 Ų121.989%0.88876%0.757SS**  trans-76.1143.7164-67.4177.7138.600109.8
401A33.3Very low39.8Very low86 Ų86124 Ų12471%0.71176%0.76SS**  cis106.192.528.700000113
402S36.5Very low41.2Very low117 Ų117125.8 Ų125.882%0.81876%0.761SS**  trans33.2105153.2590000119
403A41.4Very low42.1Very low110 Ų110126.4 Ų126.491%0.90976%0.758SS**  trans-72.6173.8161.300000112.2
404K40.7Very low42.6Very low177 Ų177128.8 Ų128.877%0.7776%0.756SS**  trans-127.3111.5-167-179.8-176.3177-173.50111.4
405V44.3Very low43.4Very low96 Ų96131 Ų13158%0.58275%0.752SS**  trans-46.5131179.2177.60000112.2D410V405-D410 HydrophobicContact CG1-CB 3.87Å; V405-D410 WeakPolarHBondContact CG1-OD2 3.29Å; V405-D410 WeakPolarHBondContact CG2-OD2 3.14Å
406Q41.6Very low44.3Very low176 Ų176131.4 Ų131.482%0.82275%0.749SS**  trans-146.226.1179.8-85.3-173.893.200114.1
407S49.9Very low44.5Very low68 Ų68132.5 Ų132.548%0.47675%0.748SS.*SBendtrans-153.8175.3167-151.40000113.1E409S407-E409 WeakPolarHBondContact CB-OE2 3.3Å; S407-E409 PolarHBondContact OG-OE2 3.45Å
408V51.2Low44.4Very low125 Ų125134.1 Ų134.176%0.75875%0.75SS**SBendtrans-84.8-23.9-179.21790000112.1D410V408-D410 PolarHBondContact O-N 2.86Å
409E52.6Low45.1Very low145 Ų145133.8 Ų133.868%0.67875%0.749SS**G310 helixtrans-66.4-20.5176.2-58.285.8171.600113S407 F411S407-E409 WeakPolarHBondContact CB-OE2 3.3Å; S407-E409 PolarHBondContact OG-OE2 3.45Å; E409-F411 PolarHBondContact O-N 3.36Å
410D57Low45.7Very low106 Ų106133.3 Ų133.357%0.56775%0.749SS**G310 helixtrans-71.411.9179.6-128.2-3.5000113.3V405 V408V405-D410 HydrophobicContact CG1-CB 3.87Å; V405-D410 WeakPolarHBondContact CG1-OD2 3.29Å; V405-D410 WeakPolarHBondContact CG2-OD2 3.14Å; V408-D410 PolarHBondContact O-N 2.86Å
411F48.5Very low46.7Very low179 Ų179133.6 Ų133.679%0.78575%0.747SS**G310 helixtrans-113-0-175.3-121.7-86.8000114.5E409E409-F411 PolarHBondContact O-N 3.36Å
412V59.3Low47.2Very low121 Ų121137.2 Ų137.273%0.73375%0.754SS**SBendtrans-94.6116.5170.5-177.30000108.6
413P49.9Very low47.4Very low111 Ų111140.4 Ų140.472%0.72176%0.756SS**PPolyproline II helixtrans-68.3133.5172.3-16.631000110.6D415P413-D415 PolarHBondContact O-N 3.46Å
414D43.3Very low47Very low157 Ų157142.3 Ų142.384%0.8475%0.751SS**PPolyproline II helixtrans-60130.6170.7-86.1-48.6000111.1S416D414-S416 PolarHBondContact O-N 2.91Å
415D47.5Very low46.7Very low156 Ų156138.8 Ų138.883%0.83475%0.748SS**SBendtrans-76.188.8-167.3-132.9-23.6000112P413P413-D415 PolarHBondContact O-N 3.46Å
416S49.2Very low46.2Very low101 Ų101138.6 Ų138.671%0.70676%0.757SS**  trans-133.547.2175.757.40000112.2D414 D418D414-S416 PolarHBondContact O-N 2.91Å; S416-D418 PolarHBondContact O-N 3.06Å; S416-D418 VanDerWaalsContact O-N 3.12Å
417L44.8Very low46.6Very low147 Ų147135.9 Ų135.977%0.7775%0.754SS**  trans-76.394171.5-70.3176.1000110.7H419L417-H419 PolarHBondContact O-N 3.42Å
418D43.4Very low45.7Very low139 Ų139141 Ų14174%0.74377%0.771SS**  trans-52.9119.5174.2-87.6-43.7000111.7S416 S420S416-D418 PolarHBondContact O-N 3.06Å; S416-D418 VanDerWaalsContact O-N 3.12Å; D418-S420 PolarHBondContact O-N 3.48Å
419H41.9Very low44.6Very low186 Ų186143.2 Ų143.286%0.86177%0.77SS**G310 helixtrans-6610.3179.8-71.5-69.3000115.3L417 F421L417-H419 PolarHBondContact O-N 3.42Å; H419-F421 PolarHBondContact O-N 3.35Å
420S53Low43.6Very low107 Ų107141.9 Ų141.975%0.74877%0.768SS**G310 helixtrans-73.1-7-178.166.10000115.2D418D418-S420 PolarHBondContact O-N 3.48Å
421F50.8Low42.4Very low195 Ų195145.5 Ų145.586%0.85578%0.778SS**G310 helixtrans-86.3-8.9-173-166.1-106.3000115.4H419H419-F421 PolarHBondContact O-N 3.35Å
422L45.3Very low41.5Very low163 Ų163140.3 Ų140.385%0.85378%0.776SS**SBendtrans-118.213.5-169-80.7172000116
423E39.9Very low40.4Very low183 Ų183144.6 Ų144.686%0.85579%0.785SS**  trans-144.184-177.4-161.1164.5-133.700113.7
424D32.9Very low39.6Very low151 Ų151148 Ų14881%0.80779%0.791SS**  -168.1155.5113.8-163.518.3000113
425S34.7Very low39.2Very low102 Ų102148.8 Ų148.871%0.71379%0.789SS**  trans-45.1140.7-177.2-45.40000118.4
426A33.7Very low38.3Very low93 Ų93148 Ų14877%0.76979%0.79SS**  trans-84.4-179.6152.700000110.5
427P50.2Low37.5Very low118 Ų118152.4 Ų152.477%0.76680%0.797SS**  cis-131.8164.7-13.939.2-25000114
428Q30.5Very low36.7Very low175 Ų175151 Ų15182%0.81880%0.798SS**  trans-163.8123.8146.6-119.9-168.5-136.600119
429K29.1Very low35.9Very low172 Ų172155.4 Ų155.475%0.74880%0.804SS**  trans49.5113.1132.6-80.7-178.6175.9167.90123.9
430D29.7Very low35.7Very low117 Ų117152 Ų15263%0.62680%0.797SS**  93132.4103.6-160.420.2000121.4
431K32.4Very low34.6Very low182 Ų182153.5 Ų153.579%0.79180%0.796SS**  trans72.1135.4169.2-47.6-179.8-179.579.70119.4
432G30.6Very low34Very low71 Ų71148.8 Ų148.873%0.73279%0.787SS**  cis154.2147.1-18.900000117.5
433K36Very low33.5Very low211 Ų211149.9 Ų149.992%0.91779%0.788SS**  trans77.3148167.4-62.9177.4-179.1175.50116.2
434Q32Very low33.3Very low183 Ų183146.8 Ų146.886%0.85579%0.786SS**  cis-127.3-165.738.7-59.6-173.5-6.400117.2
435Q34.9Very low33.5Very low173 Ų173147.2 Ų147.281%0.80879%0.789SS**  trans-82.1171.3-157.5-66.7156.8-60.200114.3
436T30Very low33.6Very low139 Ų139145.7 Ų145.785%0.85379%0.789SS**  cis-157.4167.240-44.50000114.3
437K32.6Very low33.8Very low193 Ų193150.3 Ų150.384%0.83980%0.795SS**  trans-77.8162.5-174.4-67.6-174.2173-174.80114.1
438C26.9Very low33.6Very low119 Ų119148.8 Ų148.880%0.80479%0.792SS**  -168.8146.964.8-100.10000116.8
439R27.7Very low34.2Very low231 Ų231146.4 Ų146.487%0.87279%0.792SS**  trans61.9131.4162.9-87.4-177.6167.3167.5-4.9118.6
440V35.8Very low34.8Very low115 Ų115141.9 Ų141.970%0.69779%0.794SS**  cis76.5122.422.8-1710000111.6
441D31.1Very low35.3Very low138 Ų138140 Ų14074%0.73880%0.802SS**  cis-131.4162.131.4-66.8-87.9000116.9
442S38.8Very low35.9Very low96 Ų96137.5 Ų137.567%0.67180%0.797SS**  trans12.2157.9143.6-55.30000123.3
443E34.2Very low37.1Very low186 Ų186140.2 Ų140.287%0.86980%0.802SS**  cis-162.9174.911.9-133.4155.8-170.700113.1
444S35.3Very low37.3Very low117 Ų117138.3 Ų138.382%0.81880%0.799SS**  trans78100.6162.6-158.50000121.1
445D36.2Very low37.8Very low160 Ų160135.3 Ų135.386%0.85679%0.793SS**  trans-13.5154.5146.2-164.719.2000121.1
446G36.8Very low38.2Very low70 Ų70130.4 Ų130.472%0.72278%0.782SS**  trans141.585.2171.800000115.1
447E38.6Very low38.9Very low191 Ų191127.2 Ų127.289%0.89378%0.777SS**  trans-73.1153.9-179.3-80.1-158.1132.200115.8
448A45.5Very low39.2Very low85 Ų85127.6 Ų127.670%0.70278%0.778SS**  trans-116.1160.9154.300000108.3
449P44.7Very low39.9Very low125 Ų125130.2 Ų130.281%0.81278%0.779SS**  -153.3172.3112.337.8-21.1000116.4
450G40.4Very low40.5Very low77 Ų77126.3 Ų126.379%0.79478%0.776SS**  trans93.853.9131.700000119.9
451G40.3Very low40.8Very low78 Ų78128.6 Ų128.680%0.80478%0.784SS**  trans-71.8134.4163.300000112.6
452N44.5Very low41.4Very low129 Ų129129.5 Ų129.569%0.6979%0.788SS**  trans-68.9124.5-171.4-162-0.1000112.5M454N452-M454 VanDerWaalsContact C-N 3.26Å; N452-M454 PolarHBondContact O-N 3.49Å
453P56.4Low41.8Very low129 Ų129130.6 Ų130.684%0.83879%0.786SS**THydrogen-bonded Turntrans-76.4-1.5-171.430.6-38.3000115.5
454M40.8Very low42.5Very low170 Ų170127.4 Ų127.484%0.83778%0.781SS**THydrogen-bonded Turntrans-103.631.8-171.3-152.5161.372.200114N452N452-M454 VanDerWaalsContact C-N 3.26Å; N452-M454 PolarHBondContact O-N 3.49Å
455V42.2Very low42.9Very low121 Ų121128.8 Ų128.873%0.73378%0.78SS**  trans-120.294.6169.9-175.30000108.9G457V455-G457 PolarHBondContact O-N 2.83Å
456A44Very low43.2Very low70 Ų70127.9 Ų127.958%0.57978%0.775SS**  trans-71.1111.3167.800000108.7F458A456-F458 HydrophobicContact CB-CE2 4.39Å; A456-F458 HydrophobicContact CB-CZ 4.42Å; A456-F458 VanDerWaalsContact O-CD2 3.26Å; A456-F458 WeakPolarHBondContact O-CD2 3.08Å; A456-F458 PolarHBondContact O-N 2.63Å; A456-F458 VanDerWaalsContact O-N 3.1Å
457G43.3Very low43.4Very low72 Ų72133.5 Ų133.574%0.74278%0.779SS**  trans-66.5107.1167.400000108.8V455 Q459V455-G457 PolarHBondContact O-N 2.83Å; G457-Q459 PolarHBondContact O-N 2.91Å
458F39.8Very low43.2Very low200 Ų200132.2 Ų132.288%0.87778%0.775SS**  trans-68121.5-178.4-74.7-83.2000110.4A456A456-F458 HydrophobicContact CB-CE2 4.39Å; A456-F458 HydrophobicContact CB-CZ 4.42Å; A456-F458 VanDerWaalsContact O-CD2 3.26Å; A456-F458 WeakPolarHBondContact O-CD2 3.08Å; A456-F458 PolarHBondContact O-N 2.63Å; A456-F458 VanDerWaalsContact O-N 3.1Å
459Q41.1Very low42.6Very low175 Ų175134.3 Ų134.382%0.81878%0.782SS**  trans-88.3126-179.8-168.8130.156.600108.1G457 D461G457-Q459 PolarHBondContact O-N 2.91Å; Q459-D461 PolarHBondContact O-N 3.25Å
460D40.6Very low41.9Very low149 Ų149133.8 Ų133.880%0.79778%0.781SS**  trans-66100.3174.3-78.4-55.9000110L462D460-L462 VanDerWaalsContact C-N 3.33Å; D460-L462 PolarHBondContact O-N 3.23Å
461D43.1Very low41.8Very low162 Ų162140.2 Ų140.287%0.86678%0.781SS**  trans-69.490.3168.3-91.6-31000109.2Q459 D463Q459-D461 PolarHBondContact O-N 3.25Å; D461-D463 PolarHBondContact O-N 2.98Å
462L43.6Very low41.3Very low158 Ų158142.2 Ų142.283%0.82778%0.78SS**  trans-64.7114.6176.4-68.1172.5000111D460D460-L462 VanDerWaalsContact C-N 3.33Å; D460-L462 PolarHBondContact O-N 3.23Å
463D46.5Very low40.6Very low119 Ų119143.2 Ų143.264%0.63678%0.783SS**  trans-59.3121.1176.7-168.4-7.6000110.8D461 D465 D466D461-D463 PolarHBondContact O-N 2.98Å; D463-D465 PolarHBondContact O-N 3.18Å; D463-D466 PolarHBondContact O-N 3.27Å
464P49.6Very low39.3Very low118 Ų118145 Ų14577%0.76678%0.784SS**THydrogen-bonded Turntrans-64.4-9.5-171.122.7-35000116
465D42.4Very low38.7Very low146 Ų146140.7 Ų140.778%0.78178%0.775SS**THydrogen-bonded Turntrans-87.7-6.7179.3-90.7-40.9000115.3D463 K467D463-D465 PolarHBondContact O-N 3.18Å; D465-K467 PolarHBondContact O-N 3.07Å
466D43.9Very low38.2Very low142 Ų142140.9 Ų140.976%0.75978%0.777SS**  trans-77.853180-162.319.6000114.1D463D463-D466 PolarHBondContact O-N 3.27Å
467K41.1Very low37.5Very low187 Ų187143.8 Ų143.881%0.81378%0.779SS**  trans-112.368.9176.1-99.9178179.3163.20111.8D465 P469D465-K467 PolarHBondContact O-N 3.07Å; K467-P469 VanDerWaalsContact O-CD 3.3Å; K467-P469 WeakPolarHBondContact O-CD 3.44Å
468M33.4Very low36.9Very low165 Ų165149.7 Ų149.781%0.81378%0.779SS**  trans-63.8120.6164.3-65.5-150.380.200110.8S470M468-S470 PolarHBondContact O-N 3.33Å
469P33.3Very low36.7Very low128 Ų128146.7 Ų146.783%0.83178%0.777SS**  trans-75.498.5177.829.7-33.5000110.6K467K467-P469 VanDerWaalsContact O-CD 3.3Å; K467-P469 WeakPolarHBondContact O-CD 3.44Å
470S30.6Very low36.4Very low114 Ų114144.1 Ų144.180%0.79778%0.775SS**PPolyproline II helixtrans-68.7131.7175.855.40000111.6M468M468-S470 PolarHBondContact O-N 3.33Å
471R37.5Very low35.9Very low212 Ų212141.6 Ų141.680%0.877%0.769SS**PPolyproline II helixtrans-69.5124.2-176.1171.4-176.5173179.4-2.2111.1M473R471-M473 PolarHBondContact O-N 3.13Å
472P29.8Very low35.4Very low120 Ų120142.2 Ų142.278%0.77976%0.764SS**PPolyproline II helixtrans-75.7123.7174.529.6-33.3000111.7
473M28.8Very low34.7Very low151 Ų151141.1 Ų141.174%0.74476%0.759SS**  trans-145.3126.9152.7-84.7-158.671.800110R471R471-M473 PolarHBondContact O-N 3.13Å
474L30.3Very low34.1Very low165 Ų165142.4 Ų142.486%0.86476%0.764SS**  trans165.1110.8145.9-89.7166.9000105.7
475A28.5Very low33Very low80 Ų80142.4 Ų142.466%0.66176%0.762SS**  82157.896.100000112
476T30.6Very low32.3Very low125 Ų125144 Ų14477%0.76777%0.77SS**  cis-147.6178.911.3-35.70000108.9
477E30.3Very low31.6Very low131 Ų131142.8 Ų142.861%0.61277%0.772SS**  127.1150.7103.2-119.1-163.3151.200108.7
478R30Very low31.1Very low196 Ų196138.5 Ų138.574%0.7477%0.766SS**  cis-137.8157.71.8-82-177.217493.613.1110.7
479V35.4Very low31Very low138 Ų138138.4 Ų138.484%0.83676%0.763SS**  trans-116.2141.8158.7-175.90000109.3
480P35.2Very low30.9Very low120 Ų120140.3 Ų140.378%0.77976%0.761SS**  trans-108.985.9166.235.8-25.5000112.4
481S30.4Very low31.1Very low96 Ų96143.2 Ų143.267%0.67176%0.762SS**  trans25.3131.114856.10000122
482K32.2Very low30.8Very low176 Ų176142 Ų14277%0.76577%0.765SS**  178.6133.1102.6-95163.3-175.1179.90115.2
483N29.5Very low30.9Very low135 Ų135144 Ų14472%0.72276%0.764SS**  trans67.5147.6140.4-56.5-1.3000121.8
484I32.4Very low31Very low146 Ų146142.8 Ų142.875%0.74976%0.757SS**  trans64.6104.8155.3-67.1157000114.9
485T27.7Very low30.9Very low118 Ų118143 Ų14372%0.72475%0.751SS**  73.112058.869.30000116.2
486L28Very low31Very low180 Ų180144.4 Ų144.494%0.94275%0.751SS**  trans85.8163.6162.8-60.5175.7000119
487S28.3Very low31.1Very low116 Ų116147 Ų14781%0.81175%0.752SS**  trans-99.9-173.1-157.9-166.20000112.6
488S30.6Very low31Very low96 Ų96146.8 Ų146.867%0.67176%0.755SS**  trans72.9159.5-177-81.80000114.5
489E31Very low31.3Very low164 Ų164142.3 Ų142.377%0.76675%0.754SS**  cis-139.8-143.45.2-148.4116.179.500112
490E32.4Very low30.9Very low167 Ų167144.6 Ų144.678%0.7875%0.752SS**  trans-115.5173.6-159.3-60.9166.6130.400115.4
491E33.9Very low30.5Very low175 Ų175145 Ų14582%0.81875%0.752SS**  trans63.5127.9162.9-69.4175.7178.700120.1
492E31.3Very low30.4Very low186 Ų186146 Ų14687%0.86975%0.754SS**  64.1129.886.6-63.8-163.116600116
493E31.5Very low30.1Very low163 Ų163144.2 Ų144.276%0.76275%0.752SS**  cis-121.9-113.7-2.4-150.2-83.791.900111.6K495E493-K495 VanDerWaalsContact CD-N 3.32Å; E493-K495 PolarHBondContact OE1-N 3.41Å; E493-K495 VanDerWaalsContact OE1-N 3.16Å; E493-K495 PolarHBondContact OE2-N 3.02Å
494E30.6Very low30.3Very low125 Ų125145.5 Ų145.558%0.58476%0.756SS**  cis-136.7126.8-3.4179.7-96.3-38.300110.3
495K28.4Very low30.9Very low170 Ų170143.7 Ų143.774%0.73975%0.753SS**  -164.1130.4129.1-118.2170.9-175.3153.30119.5E493E493-K495 VanDerWaalsContact CD-N 3.32Å; E493-K495 PolarHBondContact OE1-N 3.41Å; E493-K495 VanDerWaalsContact OE1-N 3.16Å; E493-K495 PolarHBondContact OE2-N 3.02Å
496V32.2Very low31Very low109 Ų109145 Ų14566%0.66176%0.756SS**  trans-89153.4-170.3-164.40000114.8
497K32Very low31.2Very low181 Ų181145.2 Ų145.279%0.78775%0.752SS**  trans118.6138.7151.7-65.4179.2-173.9-174.40115.3
498D28.9Very low31.3Very low126 Ų126146.7 Ų146.767%0.67475%0.751SS**  cis-151.6140.310-132.5-46.9000115.7
499S34.4Very low31.7Very low102 Ų102147.5 Ų147.571%0.71375%0.751SS**  trans57.5126.5144.6-720000126.1
500K27Very low31.7Very low186 Ų186145.9 Ų145.981%0.80975%0.748SS**  trans93101.3136.7-146.2167.5-175.51770118.9
501V27.3Very low31.9Very low127 Ų127142 Ų14277%0.7775%0.745SS**  80.1129.280.91500000112.9
502V28Very low31.9Very low117 Ų117141.1 Ų141.171%0.70974%0.741SS**  cis-167.7170.217.880.60000115.8
503L26.9Very low32Very low140 Ų140139.4 Ų139.473%0.73373%0.732SS**  trans66.1134.2156.2-68.2173.9000123.9
504M33.3Very low31.9Very low162 Ų162137.9 Ų137.980%0.79873%0.725SS**  trans-98.3156.8136.6-52.9-86.774.800107.5
505P45.3Very low32Very low108 Ų108139.3 Ų139.370%0.70173%0.729SS**  -143.7152.780.837.2-17.8000113.7
506D29.6Very low32.1Very low144 Ų144140 Ų14077%0.7773%0.732SS**  73.8156.389.1-56.3-65.6000117.9
507E33.3Very low31.9Very low186 Ų186146.1 Ų146.187%0.86974%0.743SS**  trans71.7142.9159.1-73.4172.9-175.400120.1
508D29.8Very low32Very low147 Ų147142.3 Ų142.379%0.78674%0.74SS**  cis-169-175.5-16.1-163.510.5000111.9
509V38.5Very low32.2Very low112 Ų112141.3 Ų141.368%0.67974%0.742SS**  trans101.6129.9153.2-170.10000120.6
510D30.6Very low32.4Very low130 Ų130146.6 Ų146.670%0.69575%0.747SS**  trans2.2133168.3-73.4-78.8000121.7
511A36.9Very low32.5Very low86 Ų86144.5 Ų144.571%0.71175%0.745SS**  82.3155.65300000114
512Q33.5Very low32.7Very low157 Ų157143.2 Ų143.273%0.73474%0.741SS**  cis-135.8-163.316.4-57.3166.53.700108.7
513H33.8Very low32.8Very low149 Ų149145.9 Ų145.969%0.6975%0.75SS**  cis-162.41494.2-151.1-50.8000110.4
514E29.4Very low32.9Very low131 Ų131148.6 Ų148.661%0.61276%0.757SS**  trans68.4147.2167.2-57.7-140.3104.700119.1
515K31.9Very low33.2Very low155 Ų155145.9 Ų145.967%0.67475%0.751SS**  cis-151.4127.73-128.5155.1-179.4144.90111.3
516K31.1Very low32.4Very low185 Ų185149.2 Ų149.280%0.80476%0.757SS**  trans11.2140.9155.2-58.5169.1-175.1172.40119.9
517R29.2Very low32.4Very low237 Ų237147.4 Ų147.489%0.89476%0.756SS**  cis-165.7152-1.4-125-179.9-179176.1-1.5113.1
518S32.4Very low32.2Very low102 Ų102147.1 Ų147.171%0.71376%0.755SS**  trans-25.7150.8161.6-154.90000118.6
519S34.8Very low32.3Very low104 Ų104145.9 Ų145.973%0.72775%0.752SS**  cis67.7149.241-770000116
520R38.1Very low31.9Very low213 Ų213148.2 Ų148.280%0.80476%0.759SS**  cis-177.2147.2-17.3-179.2176.6-169.3176.64.4109
521N29.1Very low31.9Very low143 Ų143149.7 Ų149.777%0.76577%0.766SS**  trans65.3163.8170.8-69.82.5000116.9
522S30.8Very low31.5Very low100 Ų100152.3 Ų152.370%0.69977%0.773SS**  cis-162.4171.2-1.928.80000112.7
523L30.4Very low31.5Very low172 Ų172154.3 Ų154.390%0.90178%0.78SS**  trans121.7155151.9-62177.2000118.9
524K29.2Very low31.4Very low198 Ų198151.3 Ų151.386%0.86178%0.78SS**  trans-102.4-172.8-179.6-86.1-176.3174.3-179.20110
525P39.6Very low31.6Very low105 Ų105151.4 Ų151.468%0.68279%0.79SS**  cis-140.1171.26.539.1-18000119.4
526Q28.3Very low31.6Very low178 Ų178150.5 Ų150.583%0.83279%0.792SS**  trans34.3152.6140.2-64.5-176.8-70.100126.7
527S30.4Very low32.5Very low106 Ų106147 Ų14774%0.74179%0.788SS**  trans60.4125.2149.350.10000119.2
528E29.1Very low32.6Very low180 Ų180144.6 Ų144.684%0.84179%0.785SS**  cis95.6141.435.8-160.8-171.7-163.300113.8
529V30.8Very low33.6Very low120 Ų120144.5 Ų144.573%0.72778%0.782SS**  trans67.7111.6175.4-146.90000117.6
530I30.4Very low34.5Very low162 Ų162144.4 Ų144.483%0.83178%0.779SS**  -175.4147.1107.6-91.8171.8000111.4
531L30.1Very low34.1Very low160 Ų160140.6 Ų140.684%0.83877%0.774SS**  trans-92.3141.8-175.7-172.184.2000112.1
532T30Very low34.1Very low141 Ų141140.3 Ų140.387%0.86577%0.773SS**  trans-165.8178.3144.67.50000112
533K33.1Very low34.2Very low200 Ų200143.3 Ų143.387%0.8778%0.78SS**  trans-146.2152.9-146.7179-176.5175.6-175.30113.7
534A31.8Very low35.1Very low85 Ų85140.5 Ų140.570%0.70277%0.772SS**  trans73.5158172.300000115.6
535T32.4Very low35.2Very low133 Ų133135.3 Ų135.382%0.81677%0.766SS**  cis-148161.316.3-37.30000113
536D32.1Very low34.9Very low136 Ų136142 Ų14273%0.72778%0.778SS**  trans-55.2177.9159.7-109.6-83.8000113.6
537P49.4Very low35Very low111 Ų111139 Ų13972%0.72178%0.776SS**  cis-142.6146.1627.6-2.6000120.6
538K31.6Very low35Very low188 Ų188136.9 Ų136.982%0.81777%0.772SS**  61.9-164.1126.7-132.7-167.2178.8176.60119.8
539P54.8Low35.2Very low100 Ų100133.9 Ų133.965%0.64977%0.77SS**  -125.4-151.8-123.649.7-30.9000113
540P53.6Low35.2Very low102 Ų102134.6 Ų134.666%0.66277%0.766SS**  cis-139.8-172-6.435.9-12.3000117.4
541D29.8Very low35.4Very low133 Ų133136.5 Ų136.571%0.71176%0.762SS**  111.2133.6124.2-104.818000124.6
542N28.9Very low35.4Very low137 Ų137135.7 Ų135.773%0.73376%0.759SS**  trans85.3155.1148.5-71.1-53.2000124.6
543L32.3Very low35.5Very low162 Ų162134.4 Ų134.485%0.84876%0.756SS**  trans-111.2-159.2-166.4-56.3168.8000109.6
544P49.9Very low35.5Very low114 Ų114130.1 Ų130.174%0.7475%0.751SS**  cis-141.3-179.5-7.743.4-25.4000117.5
545A31.3Very low35.7Very low89 Ų89131.8 Ų131.874%0.73676%0.758SS**  trans65.9154.7154.600000118.1
546R33.3Very low35.7Very low245 Ų245135 Ų13593%0.92576%0.76SS**  cis-169.9179.7-5.6-106173.4176.7174.6-1.5105.2
547S30.8Very low35.6Very low115 Ų115136.9 Ų136.980%0.80477%0.77SS**  cis177.7154.3-20.8177.90000105.4
548G28.9Very low34.6Very low62 Ų62136.5 Ų136.564%0.63977%0.77SS**  cis172.3-170.41.600000109.6
549S33.5Very low34.5Very low117 Ų117133.6 Ų133.682%0.81877%0.768SS**  trans67.8149.2-175.1-97.70000115.9
550E31.5Very low33.3Very low135 Ų135133.4 Ų133.463%0.63177%0.774SS**  cis-155166.50.8-146.1179.5-132.800112.5
551R34.2Very low32.4Very low201 Ų201136.2 Ų136.276%0.75878%0.783SS**  trans76.196.5159.8-61.2176.1-152.917411.9122.1
552N30.2Very low33.3Very low143 Ų143135.4 Ų135.477%0.76579%0.785SS**  66.2119.9116.4-616000123.6
553S32.4Very low33.4Very low114 Ų114133.2 Ų133.280%0.79779%0.786SS**  trans57140.2136.261.40000121.2
554S32.7Very low33.4Very low111 Ų111129.7 Ų129.778%0.77678%0.78SS**  cis-157.9144.9-951.10000108.1
555S36.2Very low32.7Very low120 Ų120130.9 Ų130.984%0.83979%0.785SS**  179.2166.884.845.50000109.3
556K31.5Very low32.6Very low200 Ų200131.1 Ų131.187%0.8779%0.787SS**  trans-110135.6-177.5-66.9-178.3178.2-178.50111.9
557L31Very low32.4Very low176 Ų176124.2 Ų124.292%0.92178%0.783SS**  -170130.7124.7-104.1162.4000111.4
558S28Very low32.4Very low103 Ų103125.2 Ų125.272%0.7278%0.784SS**  trans-172.4156.7-174.146.90000108.7
559T29.2Very low33.2Very low127 Ų127127.9 Ų127.978%0.77979%0.79SS**  cis-165.5144.6-15.9-90.10000108.6
560A30.9Very low32.8Very low95 Ų95126.4 Ų126.479%0.78579%0.785SS**  trans59.9152.3156.100000124.5
561L33.5Very low32.7Very low161 Ų161124.8 Ų124.884%0.84379%0.794SS**  trans-47.8171.8149.9-74.6162.4000113.6
562P49.2Very low32.4Very low116 Ų116119.2 Ų119.275%0.75379%0.791SS**  cis-151.9-176.935.544.4-22.4000120
563A31.1Very low32.3Very low91 Ų91121.9 Ų121.975%0.75280%0.799SS**  trans13.3157.3145.400000123.3
564A32.5Very low32.2Very low88 Ų88120.8 Ų120.873%0.72780%0.797SS**  cis-177.7176.5-18.700000111.2
565V35Very low33.2Very low139 Ų139120.5 Ų120.584%0.84279%0.793SS**  trans86.7110.8158.8-169.90000120.6
566A29.9Very low33Very low95 Ų95123.5 Ų123.579%0.78579%0.79SS**  trans37.1127.3144.100000124.7
567A28.4Very low33.1Very low100 Ų100119.9 Ų119.983%0.82679%0.785SS**  -171.5152.8117.700000112.7
568T30.1Very low33Very low136 Ų136118.5 Ų118.583%0.83479%0.785SS**  trans-96.6176.3163.540.30000109.6
569P46.3Very low33.5Very low117 Ų117119 Ų11976%0.7679%0.788SS**  cis-144.2-167.417.144.5-23.7000117.2
570A25.1Very low33.8Very low87 Ų87122 Ų12272%0.71979%0.793SS**  trans70.6115142.300000123.3
571A28.9Very low34.1Very low100 Ų100121.5 Ų121.583%0.82678%0.784SS**  75.5136.6121.400000124
572A28.9Very low34.1Very low84 Ų84123.6 Ų123.669%0.69479%0.786SS**  trans83.8108.5137.400000122.5
573Q28.3Very low33.2Very low200 Ų200121.8 Ų121.894%0.93579%0.789SS**  trans81.2156.7136.5-61.6-176.734.200120.9
574A29.2Very low33.3Very low91 Ų91126.2 Ų126.275%0.75279%0.793SS**  trans-117.4-149-175.700000107.9
575P54.4Low33.2Very low105 Ų105125.4 Ų125.468%0.68279%0.787SS**  cis-134.4178.4-16.338.4-20.4000114.5
576K31.3Very low33.2Very low182 Ų182125.3 Ų125.379%0.79178%0.781SS**  trans162.9104.3132.1-90.6166.5-176.3177.80112.2
577T34.8Very low33.2Very low124 Ų124129.4 Ų129.476%0.76178%0.781SS**  80.7124.385.757.60000117
578T27.1Very low33.1Very low148 Ų148132.7 Ų132.791%0.90878%0.779SS**  trans-164.5142.6145.9-75.10000107.4
579S39.7Very low32.8Very low114 Ų114134.7 Ų134.780%0.79778%0.776SS**  trans-158.7145.5-176.252.20000114.2
580Q35.3Very low31.7Very low189 Ų189135.5 Ų135.588%0.88378%0.779SS**  trans-158.1156.4172.6-75.5-166.410.600110.8
581S37.4Very low31.8Very low84 Ų84138.2 Ų138.259%0.58779%0.786SS**  cis-171.8166.5-26.262.40000111.5
582K32.8Very low31.9Very low206 Ų206141.3 Ų141.390%0.89678%0.781SS**  trans72.1130.8173.8-51.6174.5-177.3177.20115
583G30.8Very low31.7Very low78 Ų78144.9 Ų144.980%0.80478%0.783SS**  cis-159.6-163-400000108.8
584H33.2Very low31.9Very low184 Ų184144.6 Ų144.685%0.85278%0.782SS**  cis-157.5-165.3-2.4-166.6-106000109
585A31.2Very low31.7Very low71 Ų71148.6 Ų148.659%0.58778%0.782SS**  trans-133.1174.6177.100000111.2
586L34.3Very low30.8Very low137 Ų137147.7 Ų147.772%0.71778%0.776SS**  -170.4145.656.6-91.1156.2000113
587K29Very low30.6Very low181 Ų181147.3 Ų147.379%0.78778%0.777SS**  trans68.9152.2156.5-64.9170.6-179.8174.90117
588Q26.7Very low30.2Very low168 Ų168147.9 Ų147.979%0.78577%0.771SS**  cis-155.6148.85.1-137.1-179.6-13.800114.2
589K24.7Very low30.7Very low179 Ų179146.7 Ų146.778%0.77877%0.769SS**  trans67102.8141.9-136.3-178.1-178-169.60122.9
590V23.5Very low30.2Very low134 Ų134147.9 Ų147.981%0.81277%0.767SS**  trans53.397.5132.3-172.50000119.8
591V27.4Very low29.8Very low143 Ų143143.6 Ų143.687%0.86776%0.758SS**  trans-169.5139.6146.9128.30000106.2
592K28.9Very low29.6Very low166 Ų166146.3 Ų146.372%0.72277%0.765SS**  cis-143-171-14.3-174.5173176.9-63.40106.8
593E26.4Very low29.7Very low159 Ų159145 Ų14574%0.74376%0.762SS**  trans-52.1149.2172.8-65.2149.7111.300115.6
594E32.5Very low29.6Very low193 Ų193150.8 Ų150.890%0.90277%0.768SS**  trans-95.1135.1174.7-61.1170.4117.200111.8
595K24.3Very low29.8Very low176 Ų176144.9 Ų144.977%0.76576%0.757SS**  trans-177.6163.8159.7-137.6-147.2175-146.10110.3
596P34.8Very low30.8Very low86 Ų86146.7 Ų146.756%0.55876%0.763SS**  cis-94-169.7-48.229-9.1000109.3
597E28.3Very low30.7Very low173 Ų173148 Ų14881%0.80877%0.769SS**  cis69.916126.3-60.3-148.4128.700116.9
598E25.7Very low30.8Very low136 Ų136142.6 Ų142.664%0.63676%0.759SS**  trans65143.7177.8-62.6137.8-158.200115.6
599S37.9Very low31.6Very low124 Ų124140.6 Ų140.687%0.86776%0.758SS**  cis54.977.1-6.9-72.60000118.3
600D28.1Very low32.2Very low139 Ų139140.6 Ų140.674%0.74376%0.761SS**  trans-163.6161.6149.3-120.5-18.6000108.6
601S28.2Very low32.7Very low99 Ų99142 Ų14269%0.69276%0.761SS**  cis-148.8178.2-7.2-1500000111.9
602D32.3Very low33.5Very low140 Ų140142.7 Ų142.775%0.74976%0.759SS**  trans-76.2-179.2167.3-122.7-54.5000112.2
603Q35.4Very low33.7Very low178 Ų178138.6 Ų138.683%0.83275%0.751SS**  trans-2.1126.7161.6-59.9175.56.500119.9
604E29.6Very low34.3Very low200 Ų200139.9 Ų139.994%0.93575%0.754SS**  trans-136132.5137.1-139.5-177-179.900110.3
605G37Very low34.8Very low60 Ų60136.9 Ų136.962%0.61975%0.749SS**  trans-112.4-160.8159.100000108.8
606P52.5Low35.7Very low110 Ų110136.2 Ų136.271%0.71475%0.75SS**  cis-126.5-160.7-4.832-9.6000111.1
607I32.3Very low36Very low163 Ų163138.4 Ų138.484%0.83676%0.757SS**  trans71.5133.9164.7-51.8154.5000113.6
608A31.3Very low37.1Very low69 Ų69137.4 Ų137.457%0.5776%0.758SS**  cis-144.7145.2-6.300000107.1
609T41.7Very low38.3Very low126 Ų126135.4 Ų135.477%0.77376%0.757SS**  51.7125.187.9-34.20000115.1
610Q37.6Very low38.2Very low178 Ų178136.7 Ų136.783%0.83275%0.753SS**  trans83.7127.8-174.8-53.9166.399.100112.8
611M34.7Very low38.8Very low165 Ų165139.1 Ų139.181%0.81376%0.758SS**  cis-135.614414.4-65176.261.800113.9
612L43.4Very low39.2Very low157 Ų157143 Ų14382%0.82277%0.765SS**  trans13.9144.4133.6-63165.7000118.9
613S33.8Very low39.4Very low80 Ų80141.6 Ų141.656%0.55977%0.766SS**  cis-175.3175.810.636.80000111.6
614F39.6Very low39.7Very low186 Ų186142.6 Ų142.682%0.81677%0.771SS**  trans78.7123.9175.4-57.1-75.2000114.6
615V42.3Very low39.9Very low130 Ų130142 Ų14279%0.78877%0.768SS**  cis66.9109.315.9-165.40000111.8
616M43.4Very low39.7Very low162 Ų162143.9 Ų143.980%0.79877%0.771SS**  cis-142.5177.147.5-78.1-170.476.600111.8
617D41.2Very low38.8Very low132 Ų132145.8 Ų145.871%0.70678%0.776SS**  cis-177.2154.6-27.7-170.524.7000106.4
618D51.6Low39Very low152 Ų152143.2 Ų143.281%0.81377%0.772SS**  trans-149.3108.2-167-170.929.1000114.8
619P51.6Low39Very low94 Ų94147.8 Ų147.861%0.6178%0.782SS**  trans-123.5143.1164.736.2-23.3000112.6
620D34.3Very low38.7Very low150 Ų150150.8 Ų150.880%0.80278%0.784SS**  cis-141.5147.75.3-88.1-48.1000111.9
621F40.6Very low38.6Very low191 Ų191151 Ų15184%0.83878%0.782SS**  trans-14190.5163.7-173.7-88.8000108.8
622E37.7Very low38.6Very low181 Ų181151.6 Ų151.685%0.84678%0.78SS**  trans-76.8157.7177.8-75.5-137.811200113
623S36.8Very low38.1Very low109 Ų109150.3 Ų150.376%0.76277%0.772SS**  trans-109165-152.2-62.70000115.4
624E41Very low37.7Very low199 Ų199153.1 Ų153.193%0.9378%0.78SS**  trans-74.2147.1161.5-61.2-171.9131.200111.7
625E32.8Very low37.2Very low187 Ų187152.2 Ų152.287%0.87478%0.779SS**  trans-150.9135.5165.3-173.7171.1-139.600109.5
626S34.1Very low36.7Very low100 Ų100154 Ų15470%0.69978%0.776SS**  cis-156.1155.2-17-116.90000109.4
627D34Very low36.7Very low151 Ų151152.5 Ų152.581%0.80778%0.778SS**  trans-132.6126.5155.7-175.63.3000109.2
628S35.8Very low36.3Very low108 Ų108152 Ų15276%0.75577%0.774SS**  trans-151.6134.6175.664.60000113.8
629Q32.2Very low35.3Very low166 Ų166156.6 Ų156.678%0.77678%0.78SS**  trans-133.1139.5171-64.9-174.2-8.100110.3
630K35.1Very low34.5Very low189 Ų189160.3 Ų160.382%0.82279%0.79SS**  trans176.3126.1130.7-93.6143.8-159.4156.50115.6
631K34Very low34.3Very low182 Ų182160.1 Ų160.179%0.79179%0.789SS**  trans67.1122.6133.5-71.4-177.7172.7179.60123.4
632K35.1Very low34Very low177 Ų177157.7 Ų157.777%0.7778%0.784SS**  71.2152.5125.5-74.5-157.3165.1-1460120.1
633M32.4Very low33.8Very low130 Ų130154 Ų15464%0.6478%0.778SS**  cis-168-176.9-11.7176.3163.5150.600109.5
634D26.7Very low33.4Very low139 Ų139158.3 Ų158.374%0.74379%0.786SS**  trans84.5161.1174.9-54.8-10.4000117
635E28.7Very low33.1Very low167 Ų167156.4 Ų156.478%0.7878%0.781SS**  -148.2174-64.1-168.7152.6132.100109.2
636F31.1Very low32.9Very low168 Ų168151.7 Ų151.774%0.73777%0.768SS**  trans-66164.6-171.8-78.7-90.8000116I638F636-I638 HydrophobicContact CD1-CG1 3.89Å; F636-I638 HydrophobicContact CE1-CG1 4.38Å; F636-I638 HydrophobicContact CG-CG1 4.45Å
637P44.6Very low33Very low130 Ų130154 Ų15484%0.84477%0.773SS**  -128.8146.510037.2-32.1000114.8
638I31.6Very low32.9Very low121 Ų121154 Ų15462%0.62177%0.773SS**  trans-87.2147174.1-65.2163.5000110.1F636 E640F636-I638 HydrophobicContact CD1-CG1 3.89Å; F636-I638 HydrophobicContact CE1-CG1 4.38Å; F636-I638 HydrophobicContact CG-CG1 4.45Å; I638-E640 HydrophobicContact CG2-CG 4.08Å
639R32.1Very low32.8Very low249 Ų249155 Ų15594%0.9477%0.77SS**  trans-139.7149.6151.3-78.5-162.2168.1-178.5-4.1110.9
640E33.9Very low32.9Very low172 Ų172152.2 Ų152.280%0.80476%0.764SS**  trans-110.6-164.1-166.8-61.9167.2113.600111.6I638I638-E640 HydrophobicContact CG2-CG 4.08Å
641D30Very low32.9Very low146 Ų146148.5 Ų148.578%0.78176%0.762SS**  trans76.3132.6-179.6-65.4-6.6000117.1
642L33.4Very low32.8Very low140 Ų140148.5 Ų148.573%0.73377%0.77SS**  cis-159.8157.3-6-119.3172.6000112.4
643S34.1Very low32.6Very low105 Ų105144.2 Ų144.273%0.73477%0.768SS**  trans56.2105.6155.9600000120.4
644E29.6Very low32.5Very low199 Ų199147.1 Ų147.193%0.9378%0.777SS**  trans-107.5168.4137-126.9-178.4-170.400109.5
645I33Very low33.7Very low159 Ų159145.6 Ų145.682%0.81577%0.774SS**  trans-104.9113.8-173.3167.6171.6000111.8
646S29.8Very low34Very low88 Ų88143.3 Ų143.362%0.61577%0.774SS**  trans47.3109.2146.8-161.10000119.5
647D35.2Very low34.2Very low148 Ų148144.2 Ų144.279%0.79178%0.78SS**  55.3137.9128.5-48.4-63.3000120
648D33.5Very low34.1Very low150 Ų150142.9 Ų142.980%0.80277%0.772SS**  cis-157.5157.65-167.7-156.8000112.4
649D32.8Very low33.9Very low130 Ų130142.5 Ų142.570%0.69578%0.775SS**  trans36.2150.6162.5-144.1-154.2000126.1
650T34.5Very low33.7Very low107 Ų107141.3 Ų141.366%0.65677%0.771SS**  trans7869.3162.767.70000122.4
651S34.3Very low33.3Very low112 Ų112137.6 Ų137.678%0.78376%0.764SS**  trans48.5101134.465.90000122.1
652L32.3Very low33.1Very low181 Ų181137 Ų13795%0.94877%0.765SS**  trans32.2132.4141-64.1172.7000122.7
653A30.3Very low32.7Very low88 Ų88136.3 Ų136.373%0.72777%0.767SS**  trans-76.9158.7170.300000112.8
654K31.4Very low32.5Very low190 Ų190139.4 Ų139.483%0.82677%0.769SS**  cis72.1155.826.9-157.6-171.1-180-175.80112.7
655P50.6Low32.6Very low107 Ų107135 Ų13570%0.69576%0.76SS**  cis-109.8-158.8-17.46.620.8000111.7
656P36.4Very low32.5Very low120 Ų120136.6 Ų136.678%0.77976%0.762SS**  cis-129.1167-3.622.12.8000117.6
657Q33.7Very low32.7Very low186 Ų186141.6 Ų141.687%0.86977%0.772SS**  trans-111.4174151.3-79-165.9-1.700107.3
658P43.5Very low32.9Very low102 Ų102141.9 Ų141.966%0.66277%0.773SS**  cis-155.6-16029.740.5-14.5000118.3
659V28.4Very low32.9Very low113 Ų113143.5 Ų143.569%0.68577%0.773SS**  trans77.5112.6150.8-68.10000124.3
660R27.5Very low33.1Very low225 Ų225143.5 Ų143.585%0.84977%0.773SS**  83.4110.8118.8-75.3-178.4-178.6-177.11.4123.4
661S24Very low33.4Very low94 Ų94146.5 Ų146.566%0.65779%0.785SS**  72.6110112.181.20000123
662T26Very low33.8Very low132 Ų132146 Ų14681%0.8178%0.782SS**  80.2150126.1-41.50000120.5
663V26.3Very low34.6Very low127 Ų127142.8 Ų142.877%0.7777%0.765SS**  trans102.7122.3160.9-1690000116.8
664H30.2Very low35.8Very low170 Ų170146 Ų14679%0.78777%0.769SS**  trans-59.4159.8172.5-55-101.7000112.5
665S30Very low36.4Very low106 Ų106145.6 Ų145.674%0.74177%0.768SS**  172.9144.481.344.50000115.6
666F30.8Very low36.3Very low192 Ų192143.2 Ų143.284%0.84276%0.763SS**  trans25111.2144.8-69.3-87.1000120.6
667K34.3Very low36.8Very low193 Ų193144.4 Ų144.484%0.83976%0.762SS**  -177.4123.693.3-102.8175.5-178.3175.40115.9
668L40.1Very low37.2Very low155 Ų155139.2 Ų139.281%0.81276%0.759SS**  30.7105.8124.4-166.793.9000118.8
669K33.2Very low36.8Very low184 Ų184142.2 Ų142.280%0.877%0.768SS**  trans179.7120.8132.6-109.2178.9178.4-166.20113.9
670N38Very low37.1Very low129 Ų129145.9 Ų145.969%0.6978%0.778SS**  167.895115.2-87.8-6.6000110.9S672N670-S672 PolarHBondContact O-N 3.32Å
671D40.3Very low37.5Very low170 Ų170144.3 Ų144.391%0.90978%0.78SS**THydrogen-bonded Turntrans-74.476.6163.5-66.1-96.4000108.7
672S41.6Very low38Very low103 Ų103146 Ų14672%0.7279%0.787SS**THydrogen-bonded Turntrans-146.2-3.7-174.2-520000114.4N670N670-S672 PolarHBondContact O-N 3.32Å
673D49.3Very low38.2Very low113 Ų113143 Ų14360%0.60478%0.783SS**  trans-126.5101.6168.9-178.613000108.9F675 G676D673-F675 PolarHBondContact OD1-N 3.36Å; D673-G676 WeakPolarHBondContact OD1-CA 3.42Å; D673-G676 PolarHBondContact OD1-N 2.91Å
674L55.7Low38.9Very low155 Ų155142.6 Ų142.681%0.81278%0.782SS**SBendtrans-104.2-3-179.4-172.554.9000112.2
675F44.7Very low38.9Very low181 Ų181143.8 Ų143.879%0.79479%0.785SS**SBendtrans-131.5-8.1-172.7-72.5-74.4000114.9D673 L677D673-F675 PolarHBondContact OD1-N 3.36Å; F675-L677 PolarHBondContact O-N 3.17Å
676G47.9Very low38.7Very low58 Ų58147.3 Ų147.360%0.59879%0.79SS**  trans73.124.7166.400000115.1D673 G678D673-G676 WeakPolarHBondContact OD1-CA 3.42Å; D673-G676 PolarHBondContact OD1-N 2.91Å; G676-G678 PolarHBondContact O-N 3.38Å
677L46.9Very low38.6Very low145 Ų145143.1 Ų143.176%0.75978%0.784SS**  trans-98.683.1-179.2-62.2-177.7000110.8F675 L679F675-L677 PolarHBondContact O-N 3.17Å; L677-L679 PolarHBondContact O-N 3.07Å
678G42.3Very low38.4Very low77 Ų77137.8 Ų137.879%0.79477%0.772SS**  trans-72.5104.1174.600000112G676G676-G678 PolarHBondContact O-N 3.38Å
679L35.5Very low38Very low165 Ų165138.9 Ų138.986%0.86477%0.773SS**  trans-123.1116.3165.4-70.6172000108.9L677L677-L679 PolarHBondContact O-N 3.07Å
680E34.3Very low37.9Very low189 Ų189136.8 Ų136.888%0.88377%0.765SS**  trans-82.5136.7162.2-78.5-160.912800109.5
681E36.4Very low37.5Very low193 Ų193135.1 Ų135.190%0.90276%0.756SS**  trans-139141.4159.4-158.2178.7164.800109.7G683E681-G683 PolarHBondContact O-N 2.98Å
682T33.6Very low37.1Very low129 Ų129134 Ų13479%0.79174%0.744SS**  trans-105.447.9-147.548.60000116.2
683G30.5Very low36.6Very low70 Ų70136.4 Ų136.472%0.72274%0.743SS**  trans67.4-160.1165.400000115.9E681E681-G683 PolarHBondContact O-N 2.98Å
684P40.8Very low36.4Very low118 Ų118136 Ų13677%0.76675%0.747SS**  cis-131.8159.2-4.440.7-25.3000116.5
685K30.1Very low35.1Very low194 Ų194133.4 Ų133.484%0.84374%0.741SS**  trans33.9128.4150.2-59175.7179175.50121.8
686E27.2Very low34.3Very low181 Ų181134 Ų13485%0.84674%0.744SS**  -17114096.7-100.9-175.3-163.700111
687S29Very low33.4Very low103 Ų103137.6 Ų137.672%0.7275%0.745SS**  73.2129.7102.4-157.90000115.1
688S29.7Very low32.6Very low82 Ų82138.2 Ų138.257%0.57374%0.741SS**  cis-168.8169.3-6.135.40000112
689E31Very low32Very low178 Ų178142.3 Ų142.383%0.83274%0.737SS**  trans67.2141152.7-77.4159.4131.700119.8
690E31.1Very low31.7Very low139 Ų139142.8 Ų142.865%0.6573%0.732SS**  cis-166.5143.7-2.5-157.2-101-168.200107.3K692E690-K692 IonicContact OE1-NZ 2.7Å; E690-K692 PolarHBondContact OE1-NZ 3.46Å; E690-K692 WeakPolarHBondContact OE2-CD 3.44Å; E690-K692 VanDerWaalsContact OE2-CE 3.3Å; E690-K692 WeakPolarHBondContact OE2-CE 3.5Å; E690-K692 IonicContact OE2-NZ 3.54Å; E690-K692 PolarHBondContact OE2-NZ 3.36Å
691D31Very low31.5Very low94 Ų94142.5 Ų142.550%0.50373%0.728SS.*  cis-143.5-78.8-4.6161.326.3000109.5H693D691-H693 IonicContact OD1-CD2 2.74Å; D691-H693 IonicContact OD2-CD2 3.8Å
692K30.9Very low31.2Very low148 Ų148142.7 Ų142.764%0.64373%0.726SS**  cis-136.8158.9-26.7-150133.9-143.172.40114.4E690E690-K692 IonicContact OE1-NZ 2.7Å; E690-K692 PolarHBondContact OE1-NZ 3.46Å; E690-K692 WeakPolarHBondContact OE2-CD 3.44Å; E690-K692 VanDerWaalsContact OE2-CE 3.3Å; E690-K692 WeakPolarHBondContact OE2-CE 3.5Å; E690-K692 IonicContact OE2-NZ 3.54Å; E690-K692 PolarHBondContact OE2-NZ 3.36Å
693H31.3Very low31Very low153 Ų153146.1 Ų146.171%0.70873%0.73SS**  trans-113.8177.7-156.1-98.5-41.8000113.9D691D691-H693 IonicContact OD1-CD2 2.74Å; D691-H693 IonicContact OD2-CD2 3.8Å
694P44.8Very low31Very low104 Ų104152.2 Ų152.268%0.67574%0.737SS**  cis-139.3177.4-1.835.4-14.1000117.5
695S28.6Very low30.5Very low100 Ų100151.6 Ų151.670%0.69974%0.735SS**  trans41.9127.9142.464.90000123.2
696K27.7Very low30.5Very low195 Ų195148.9 Ų148.985%0.84872%0.723SS**  96.6128.851.9-111-180-177.81700116.3
697E29.2Very low30.7Very low132 Ų132148.1 Ų148.162%0.61772%0.72SS**  trans88.7143.5140.4-108.5-155.9120.100123.9
698K29.5Very low30.7Very low159 Ų159150.5 Ų150.569%0.69172%0.719SS**  trans76.3153.2152.8-68.5154.7174.2132.70119.7
699K30.4Very low30.9Very low163 Ų163153.9 Ų153.971%0.70973%0.726SS**  cis-173.6135.2-31.3-155.2160.3-174.8164.50112
700K29.6Very low31Very low174 Ų174152.3 Ų152.376%0.75772%0.719SS**  trans68.6141.8152.5-88.9177.3177.6177.10123.2
701K29.8Very low31.3Very low183 Ų183152.5 Ų152.580%0.79672%0.717SS**  trans81.8100.9137.8-82.5-173.8169-173.50124.2
702K29.7Very low31.4Very low198 Ų198152.6 Ų152.686%0.86173%0.726SS**  51.3111.6101.2-173-178.2179.6173.80123
703K29.7Very low31.5Very low201 Ų201152.1 Ų152.187%0.87473%0.727SS**  trans-171.4149.9139.9-99.7-178.8175-178.40108.2
704K29.8Very low31.6Very low198 Ų198152.2 Ų152.286%0.86173%0.726SS**  cis77.3136.544.1-165.6-177.9-179.1-173.10113.4
705S29.8Very low31Very low104 Ų104154.8 Ų154.873%0.72773%0.726SS**  cis-104.2-145.211.847.90000114.8
706K31.7Very low31.3Very low138 Ų138159 Ų15960%0.673%0.732SS**  cis-153.7142.69-175.6-171.5166-79.30108E708K706-E708 IonicContact NZ-OE2 2.71Å; K706-E708 PolarHBondContact NZ-OE2 3.47Å
707E29.7Very low31.5Very low165 Ų165153.7 Ų153.777%0.77172%0.72SS**  62.6132.671.5-118.1162-149.700114.2
708E30.2Very low31.7Very low152 Ų152157 Ų15771%0.7173%0.732SS**  cis-118.7169.517.3-74.6139.5100.700111.7K706K706-E708 IonicContact NZ-OE2 2.71Å; K706-E708 PolarHBondContact NZ-OE2 3.47Å
709E33Very low31.9Very low153 Ų153157.7 Ų157.772%0.71574%0.737SS**  56.3140.563.6-81.4-150.5117.700116.1K711E709-K711 IonicContact OE1-NZ 3.52Å; E709-K711 PolarHBondContact OE1-NZ 2.73Å
710E33.5Very low31.9Very low146 Ų146159 Ų15968%0.68274%0.743SS**  cis-136.3163.315.5-98.2-151.5100.800116.7
711K37.5Very low32Very low142 Ų142159.4 Ų159.462%0.61775%0.745SS**  trans-6.5159.1145.3-36.8-177.8-173.471.40118.4E709E709-K711 IonicContact OE1-NZ 3.52Å; E709-K711 PolarHBondContact OE1-NZ 2.73Å
712S34.1Very low32.1Very low97 Ų97155.8 Ų155.868%0.67874%0.743SS**  cis-172.2146.936.8740000118.1
713M31.4Very low32.1Very low137 Ų137155 Ų15568%0.67574%0.739SS**  trans69120133.8-71.1-173.2-146.200127.3
714K33Very low32.2Very low155 Ų155152.6 Ų152.667%0.67473%0.731SS**  74.6154.6125.3-65.3171.4-174.5161.10118.6
715K34Very low32.3Very low159 Ų159151.1 Ų151.169%0.69173%0.725SS**  cis-167.9145.1-0.6-120.4172.1-177.3177.30111.8
716K33.2Very low32.3Very low187 Ų187153.4 Ų153.481%0.81372%0.724SS**  trans59.5163.6143.8-76.8-169173.7-172.70120.6
717S33.2Very low32.3Very low85 Ų85154 Ų15459%0.59473%0.733SS**  cis-177.9149.4-28.959.70000114.1
718K34Very low32.3Very low201 Ų201149 Ų14987%0.87473%0.727SS**  trans65.5163.2154.5-71.9-175.6176.5-173.10118.5
719H32Very low32.4Very low174 Ų174150.3 Ų150.381%0.80673%0.73SS**  cis178.3169.5-30.9-171.264.4000109.8
720K32Very low32.3Very low191 Ų191148.7 Ų148.783%0.8373%0.727SS**  trans76.9154.1160-165.1-176.1179.7-174.20117.8
721K31.1Very low32.3Very low181 Ų181148 Ų14879%0.78772%0.723SS**  cis-176.2147.9-40.1177.2173.7174.2176.70110.2
722S32.5Very low31.9Very low108 Ų108147.7 Ų147.776%0.75572%0.722SS**  trans69165.9164.464.80000117.7
723K29.9Very low31.8Very low180 Ų180150.5 Ų150.578%0.78372%0.722SS**  cis-149.5178.315.5-163.9167.8173.2-173.60113.5
724E31.2Very low31.8Very low151 Ų151151.6 Ų151.671%0.70672%0.723SS**  trans-76.1156.8-170.5-45.2121109.900118.4
725K31.5Very low31.8Very low168 Ų168152.9 Ų152.973%0.7373%0.728SS**  164.1142.3121.9-87.7-163.9165.9-98.70111.2
726E30.7Very low31.7Very low152 Ų152153.6 Ų153.671%0.7173%0.732SS**  62.9134.766.4-99.2177.9-177.700113.7
727D30.8Very low31.7Very low149 Ų149152.9 Ų152.980%0.79773%0.728SS**  cis-162.1159.69.8-17316.9000112.6
728G28.9Very low31.7Very low62 Ų62159 Ų15964%0.63974%0.738SS**  trans66.5174.1156.400000121.9
729K32.6Very low31.6Very low179 Ų179155.1 Ų155.178%0.77874%0.736SS**  cis-175.4142.8-33.3-137.3-179.6172.5-102.30111.8
730D31.1Very low31.7Very low119 Ų119155.9 Ų155.964%0.63674%0.737SS**  trans55.7162.7152.7-64.7-25.5000119.7
731E32.8Very low32Very low132 Ų132155 Ų15562%0.61774%0.736SS**  cis-158.1156.1-15.5-121-159.5161.200114.3
732K30.3Very low32.3Very low134 Ų134155.7 Ų155.758%0.58374%0.74SS**  trans55.9128.7141.6-78.2-179.3-173131.50125.2
733K31.8Very low32.5Very low157 Ų157157.4 Ų157.468%0.68374%0.74SS**  104.7122.4119-84.2170.4179.31610123.4
734K31.8Very low33.2Very low160 Ų160157.7 Ų157.770%0.69674%0.744SS**  89.8117.9128.2-78.5176176.2178.80123
735K32.5Very low33.9Very low181 Ų181157.5 Ų157.579%0.78775%0.747SS**  trans66.4147.6137.6-64-176.5174.8-176.80116.8
736K32Very low34.4Very low175 Ų175155.7 Ų155.776%0.76175%0.745SS**  cis-165.8141.215.3-143.9-178.6179.5-176.80111.8
737K34Very low35.1Very low171 Ų171156.6 Ų156.674%0.74375%0.749SS**  trans54.7128.8147.6-84.8-169.8173.7-1710123.6
738R32.3Very low35.8Very low214 Ų214156.1 Ų156.181%0.80875%0.746SS**  97.8123.5129.5-90.7-174165.4-179.3-6.8121.1
739S31.2Very low36.6Very low119 Ų119161.7 Ų161.783%0.83276%0.755SS**  trans62.3153.7160.641.60000116.4
740K34.8Very low37.4Very low190 Ų190157.2 Ų157.283%0.82675%0.751SS**  cis-140.5175.38.2-160.4173.2175.6-179.70110
741E37.8Very low38Very low173 Ų173160.1 Ų160.181%0.80876%0.759SS**  trans-64.8167.1176.1-62.3155.999.200114.4
742K38.5Very low38.6Very low196 Ų196161.1 Ų161.185%0.85277%0.768SS**  trans87.3101.1176.3-57-175.4176.2-171.20116.1
743N36.1Very low38.8Very low144 Ų144158.5 Ų158.577%0.7778%0.778SS**  177.8105.8123.7-91.14.5000109
744E43.8Very low38.8Very low186 Ų186154.9 Ų154.987%0.86979%0.786SS**SBendtrans-143.222.5178.1-155.5174.9-160.300111.7
745I47.7Very low38.7Very low147 Ų147151.4 Ų151.475%0.75480%0.795SS**SBendtrans-121.7-33.2-177.8-68.5174.6000111.3E747I745-E747 PolarHBondContact O-N 2.91Å
746D40.4Very low38.6Very low129 Ų129146.9 Ų146.969%0.6980%0.8SS**Hα-helixtrans-72.1-23.4-175.2-112.519.5000115
747E45.7Very low38.5Very low172 Ų172142.6 Ų142.680%0.80481%0.805SS**Hα-helixtrans-84.6-15.2-177.3-71.1-166.7139.800114I745I745-E747 PolarHBondContact O-N 2.91Å
748L45.1Very low38.4Very low139 Ų139139.2 Ų139.273%0.72881%0.809SS**Hα-helixtrans-80.2-28.9-178.5-81.7168.2000113.4
749E47.3Very low38.3Very low179 Ų179134 Ų13484%0.83681%0.806SS**Hα-helixtrans-81.2-21.3-179.9-159159-128.300112.3
750A47.6Very low38.4Very low84 Ų84136.5 Ų136.569%0.69481%0.806SS**THydrogen-bonded Turntrans-79.1-15.2179.900000115
751F44.7Very low38.3Very low180 Ų180132.3 Ų132.379%0.78980%0.801SS**THydrogen-bonded Turntrans-90.6-10-169.9-168.6-106.3000115.2
752L45.8Very low38.2Very low154 Ų154133.5 Ų133.581%0.80680%0.803SS**SBendtrans-124.225.8-173.6-66.6175.7000114.1G754L752-G754 PolarHBondContact O-N 3.13Å
753G33.8Very low38.6Very low78 Ų78129.9 Ų129.980%0.80480%0.8SS**  trans-70.2126.3-175.200000115.1
754G32.2Very low38.4Very low82 Ų82134.6 Ų134.685%0.84581%0.807SS**  trans143113.1162.900000114.6L752L752-G754 PolarHBondContact O-N 3.13Å
755G30.3Very low37.7Very low86 Ų86129.6 Ų129.689%0.88781%0.805SS**  cis172.1165.5-6.300000112.9
756G28.6Very low37Very low87 Ų87126.3 Ų126.390%0.89781%0.808SS**  trans-163.9131.8172.700000108.6
757G30.3Very low36.6Very low84 Ų84123.2 Ų123.287%0.86681%0.806SS**  trans-121.6139.7-165.200000114.7
758A32.1Very low36Very low100 Ų100121.8 Ų121.883%0.82680%0.804SS**  trans-165145.2153.700000112.4
759S31.2Very low35.5Very low105 Ų105124.3 Ų124.373%0.73481%0.805SS**  trans73.4126.8147.6-138.60000121.8
760M32.8Very low35.2Very low172 Ų172122.2 Ų122.285%0.84780%0.796SS**  trans63.7155.3152.3-60.2-76.6-148.600119.3
761S32.1Very low35Very low102 Ų102125.7 Ų125.771%0.71380%0.798SS**  cis-163.8160.3-28.454.30000110.8
762K36.2Very low34.5Very low197 Ų197128 Ų12886%0.85782%0.817SS**  trans-69.3150173.9-80.2176.3175.9172.90111.5
763P47.4Very low34Very low121 Ų121126.8 Ų126.879%0.78682%0.818SS**  -128.9172.667.913.410.7000113.6
764R31.9Very low34Very low242 Ų242129.3 Ų129.391%0.91382%0.819SS**  cis110.7110.18.4-168.1-165.5-176-160.71.5114.2
765G29.5Very low34.1Very low81 Ų81131.9 Ų131.984%0.83582%0.817SS**  trans104.9147.2165.500000114.2
766G31.3Very low34.3Very low79 Ų79134.6 Ų134.681%0.81481%0.813SS**  cis147.8122.1-11.100000113.7
767G32.1Very low34.7Very low63 Ų63137.6 Ų137.665%0.64981%0.808SS**  trans72171.6179.500000114.6
768D33.1Very low35Very low143 Ų143141.2 Ų141.277%0.76580%0.804SS**  cis-171153.6-18.5-108.4-35.4000109
769Y34.7Very low35.2Very low191 Ų191144.1 Ų144.175%0.74980%0.802SS**  trans65157153.3-83.6-122.9000118
770E41.6Very low35.5Very low135 Ų135147.2 Ų147.263%0.63181%0.807SS**  cis-152.8-170.5-17.5-141.6173.4-169.200109.6
771E42.7Very low35.7Very low157 Ų157145.1 Ų145.173%0.73480%0.804SS**  trans3.9135.6153.5-74.4-179.9175.800119.1
772L35.8Very low36Very low230 Ų230149 Ų149100%1.20481%0.812SS**  cis-163.8043.2-126.5157.4000112.4

Retrieved 772 of 772 residues in 133.6 ms (Link to these results)