A0A090N8F5_HUMAN Loading...

KIAA1862 protein

AlphaFold DB , UniProt , Accession A0A090N8F5, Species HUMAN (Homo sapiens, Human), Gene KIAA1862, Length 968 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
1M52.5Low57.8Low130 Ų130100.4 Ų100.464%0.6452%0.521SS*.  0-76.60-89.1-73.3-8700110.7E3 N4 Y5 L64M1-E3 PolarHBondContact O-N 3.44Å; M1-N4 WeakPolarHBondContact CA-OD1 2.91Å; M1-N4 PolarHBondContact N-OD1 2.74Å; M1-N4 WeakPolarHBondContact O-CB 3.17Å; M1-N4 PolarHBondContact O-N 2.82Å; M1-Y5 PolarHBondContact O-N 3.47Å; M1-Y5 VanDerWaalsContact O-N 3.11Å; M1-L64 HydrophobicContact CE-CD2 4.04Å; M1-L64 HydrophobicContact SD-CD2 3.91Å
2R53.9Low57.1Low158 Ų15897.3 Ų97.360%0.59653%0.533SS*.Hα-helixtrans-55.6-50.2177.1173.4176-69.9-76.61.5112N4 Y5 E6R2-N4 VanDerWaalsContact C-N 3.3Å; R2-N4 PolarHBondContact O-N 2.98Å; R2-Y5 WeakPolarHBondContact O-CB 3.31Å; R2-Y5 PolarHBondContact O-N 2.74Å; R2-Y5 VanDerWaalsContact O-N 3.11Å; R2-E6 WeakPolarHBondContact CD-OE1 3.5Å; R2-E6 VanDerWaalsContact CG-CD 3.45Å; R2-E6 HydrophobicContact CG-CG 4.5Å; R2-E6 WeakPolarHBondContact CG-OE1 2.86Å; R2-E6 IonicContact NH1-OE1 2.63Å; R2-E6 PolarHBondContact NH1-OE1 3.04Å; R2-E6 PolarHBondContact O-N 2.93Å
3E55.5Low56Low138 Ų13896 Ų9665%0.64553%0.529SS*.Hα-helixtrans-62.6-36179.7-59.1122.3155.500112.2M1 E6 T7M1-E3 PolarHBondContact O-N 3.44Å; E3-E6 PolarHBondContact O-N 3.14Å; E3-T7 VanDerWaalsContact O-CB 3.3Å; E3-T7 WeakPolarHBondContact O-CB 3.48Å; E3-T7 PolarHBondContact O-N 2.87Å; E3-T7 PolarHBondContact O-OG1 3.49Å
4N63.7Low55.3Low69 Ų6995.9 Ų95.937%0.36955%0.547SS..Hα-helixtrans-63.4-41.6174.9-50.963.9000111.6M1 R2 T7 L8M1-N4 WeakPolarHBondContact CA-OD1 2.91Å; M1-N4 PolarHBondContact N-OD1 2.74Å; M1-N4 WeakPolarHBondContact O-CB 3.17Å; M1-N4 PolarHBondContact O-N 2.82Å; R2-N4 VanDerWaalsContact C-N 3.3Å; R2-N4 PolarHBondContact O-N 2.98Å; N4-T7 PolarHBondContact O-N 2.99Å; N4-L8 WeakPolarHBondContact O-CG 3.48Å; N4-L8 PolarHBondContact O-N 3.11Å
5Y64.3Low55Low50 Ų50102.5 Ų102.520%0.19657%0.572CS.*Hα-helixtrans-65.4-46175.8179-84.4000111M1 R2 T7 L8 V9 L16 L17 L19M1-Y5 PolarHBondContact O-N 3.47Å; M1-Y5 VanDerWaalsContact O-N 3.11Å; R2-Y5 WeakPolarHBondContact O-CB 3.31Å; R2-Y5 PolarHBondContact O-N 2.74Å; R2-Y5 VanDerWaalsContact O-N 3.11Å; Y5-T7 VanDerWaalsContact C-N 3.27Å; Y5-T7 PolarHBondContact O-N 3.14Å; Y5-L8 PolarHBondContact O-N 3.47Å; Y5-V9 HydrophobicContact CD1-CG2 4.04Å; Y5-V9 HydrophobicContact CE1-CG2 3.62Å; Y5-V9 WeakPolarHBondContact O-CG2 3.49Å; Y5-V9 PolarHBondContact O-N 3.43Å; Y5-L16 HydrophobicContact CE2-CB 4.13Å; Y5-L16 PolarHBondContact OH-O 3.11Å; Y5-L17 PolarHBondContact OH-O 2.71Å; Y5-L19 HydrophobicContact CD1-CD1 3.91Å; Y5-L19 HydrophobicContact CD1-CD2 4.47Å; Y5-L19 HydrophobicContact CD1-CG 4.02Å; Y5-L19 HydrophobicContact CD2-CD1 4.46Å; Y5-L19 HydrophobicContact CD2-CD2 3.55Å; Y5-L19 HydrophobicContact CD2-CG 3.86Å; Y5-L19 HydrophobicContact CE1-CD1 4.44Å; Y5-L19 HydrophobicContact CE1-CG 4.22Å; Y5-L19 HydrophobicContact CE2-CD2 4.05Å; Y5-L19 HydrophobicContact CE2-CG 4.05Å; Y5-L19 HydrophobicContact CG-CD1 3.94Å; Y5-L19 HydrophobicContact CG-CD2 3.8Å; Y5-L19 HydrophobicContact CG-CG 3.85Å
6E62.9Low54.8Low87 Ų87100.6 Ų100.641%0.40756%0.56SS.*Hα-helixtrans-63.6-32.9176.6-71.6159.5-171.300111.4R2 E3 S10R2-E6 WeakPolarHBondContact CD-OE1 3.5Å; R2-E6 VanDerWaalsContact CG-CD 3.45Å; R2-E6 HydrophobicContact CG-CG 4.5Å; R2-E6 WeakPolarHBondContact CG-OE1 2.86Å; R2-E6 IonicContact NH1-OE1 2.63Å; R2-E6 PolarHBondContact NH1-OE1 3.04Å; R2-E6 PolarHBondContact O-N 2.93Å; E3-E6 PolarHBondContact O-N 3.14Å; E6-S10 WeakPolarHBondContact O-CB 3.32Å; E6-S10 PolarHBondContact O-N 2.95Å; E6-S10 PolarHBondContact O-OG 3.48Å
7T59.7Low54.6Low86 Ų86101.8 Ų101.853%0.52856%0.564SS.*Hα-helixtrans-67.2-45.3171.4-55.80000111.9E3 N4 Y5 S10 V11E3-T7 VanDerWaalsContact O-CB 3.3Å; E3-T7 WeakPolarHBondContact O-CB 3.48Å; E3-T7 PolarHBondContact O-N 2.87Å; E3-T7 PolarHBondContact O-OG1 3.49Å; N4-T7 PolarHBondContact O-N 2.99Å; Y5-T7 VanDerWaalsContact C-N 3.27Å; Y5-T7 PolarHBondContact O-N 3.14Å; T7-S10 CarbonylContact O-C 3.58Å; T7-S10 WeakPolarHBondContact O-CB 3.41Å; T7-S10 PolarHBondContact O-N 3.38Å; T7-S10 VanDerWaalsContact O-N 3.12Å; T7-V11 WeakPolarHBondContact O-CG2 3.45Å; T7-V11 PolarHBondContact O-N 2.86Å; T7-V11 VanDerWaalsContact O-N 3.1Å
8L53.9Low54.5Low101 Ų101100.4 Ų100.453%0.52956%0.56SS.*Hα-helixtrans-64.1-42.7177.3-73.2166.3000111.8N4 Y5 S10 V11 L16N4-L8 WeakPolarHBondContact O-CG 3.48Å; N4-L8 PolarHBondContact O-N 3.11Å; Y5-L8 PolarHBondContact O-N 3.47Å; L8-S10 VanDerWaalsContact C-N 3.27Å; L8-S10 PolarHBondContact O-N 2.96Å; L8-V11 PolarHBondContact O-N 3.39Å; L8-V11 VanDerWaalsContact O-N 3.13Å; L8-L16 HydrophobicContact CB-CD1 3.88Å
9V59.3Low54.2Low71 Ų7197.8 Ų97.843%0.4355%0.545SS..Hα-helixtrans-57.9-40.7170.6172.30000111.2Y5 V11 G12 L16Y5-V9 HydrophobicContact CD1-CG2 4.04Å; Y5-V9 HydrophobicContact CE1-CG2 3.62Å; Y5-V9 WeakPolarHBondContact O-CG2 3.49Å; Y5-V9 PolarHBondContact O-N 3.43Å; V9-V11 PolarHBondContact O-N 2.96Å; V9-G12 PolarHBondContact O-N 3.12Å; V9-L16 HydrophobicContact CG2-CB 4.34Å; V9-L16 HydrophobicContact CG2-CD1 3.82Å
10S54.9Low53.8Low103 Ų10397.4 Ų97.472%0.7255%0.549SS*.Hα-helixtrans-69.3-16.8178.2-56.70000114.3E6 T7 L8 G12E6-S10 WeakPolarHBondContact O-CB 3.32Å; E6-S10 PolarHBondContact O-N 2.95Å; E6-S10 PolarHBondContact O-OG 3.48Å; T7-S10 CarbonylContact O-C 3.58Å; T7-S10 WeakPolarHBondContact O-CB 3.41Å; T7-S10 PolarHBondContact O-N 3.38Å; T7-S10 VanDerWaalsContact O-N 3.12Å; L8-S10 VanDerWaalsContact C-N 3.27Å; L8-S10 PolarHBondContact O-N 2.96Å; S10-G12 VanDerWaalsContact C-N 3.28Å
11V55.6Low53.6Low111 Ų11195.8 Ų95.867%0.67355%0.548SS*.THydrogen-bonded Turntrans-82.9-4.7175.3171.30000112.2T7 L8 V9T7-V11 WeakPolarHBondContact O-CG2 3.45Å; T7-V11 PolarHBondContact O-N 2.86Å; T7-V11 VanDerWaalsContact O-N 3.1Å; L8-V11 PolarHBondContact O-N 3.39Å; L8-V11 VanDerWaalsContact O-N 3.13Å; V9-V11 PolarHBondContact O-N 2.96Å
12G49.6Very low53.4Low64 Ų6496.1 Ų96.166%0.6655%0.546SS*.THydrogen-bonded Turntrans86.815.1166.200000115.6V9 S10 A14V9-G12 PolarHBondContact O-N 3.12Å; S10-G12 VanDerWaalsContact C-N 3.28Å; G12-A14 PolarHBondContact O-N 2.94Å; G12-A14 VanDerWaalsContact O-N 3.15Å
13T42.8Very low52.8Low80 Ų8094.9 Ų94.949%0.49155%0.55SS.*  trans-69.3107.1164.552.50000109.3
14A45.1Very low51.7Low94 Ų9493.1 Ų93.178%0.77755%0.553SS**SBendtrans-59.8148.7173.300000111.3G12G12-A14 PolarHBondContact O-N 2.94Å; G12-A14 VanDerWaalsContact O-N 3.15Å
15E50.6Low50.5Low196 Ų19696 Ų9692%0.91658%0.575SS**  trans59.361.5177.9-56.3-16114400116.5
16L52.4Low49.1Very low72 Ų7298.8 Ų98.838%0.37760%0.602SS.*PPolyproline II helixtrans-85.6123.8154.1-69176.9000110.4Y5 L8 V9Y5-L16 HydrophobicContact CE2-CB 4.13Å; Y5-L16 PolarHBondContact OH-O 3.11Å; L8-L16 HydrophobicContact CB-CD1 3.88Å; V9-L16 HydrophobicContact CG2-CB 4.34Å; V9-L16 HydrophobicContact CG2-CD1 3.82Å
17L52Low47.8Very low120 Ų120103.3 Ų103.363%0.62862%0.624SS**PPolyproline II helixtrans-64.9137.5178.3-72172000111.1Y5 F22Y5-L17 PolarHBondContact OH-O 2.71Å; L17-F22 HydrophobicContact CB-CE2 4.43Å
18P53.2Low46.7Very low77 Ų77105 Ų10550%0.564%0.636SS.*PPolyproline II helixtrans-60.6143-174.325.6-35.2000112.2S20 A21P18-S20 PolarHBondContact O-N 3.06Å; P18-A21 WeakPolarHBondContact O-CB 3.38Å; P18-A21 PolarHBondContact O-N 2.98Å
19L47Very low45.5Very low51 Ų51103.6 Ų103.627%0.26765%0.646SS.*G310 helixtrans-52.5-20.8-176.7-73.1169.2000115.2Y5 A21 F22Y5-L19 HydrophobicContact CD1-CD1 3.91Å; Y5-L19 HydrophobicContact CD1-CD2 4.47Å; Y5-L19 HydrophobicContact CD1-CG 4.02Å; Y5-L19 HydrophobicContact CD2-CD1 4.46Å; Y5-L19 HydrophobicContact CD2-CD2 3.55Å; Y5-L19 HydrophobicContact CD2-CG 3.86Å; Y5-L19 HydrophobicContact CE1-CD1 4.44Å; Y5-L19 HydrophobicContact CE1-CG 4.22Å; Y5-L19 HydrophobicContact CE2-CD2 4.05Å; Y5-L19 HydrophobicContact CE2-CG 4.05Å; Y5-L19 HydrophobicContact CG-CD1 3.94Å; Y5-L19 HydrophobicContact CG-CD2 3.8Å; Y5-L19 HydrophobicContact CG-CG 3.85Å; L19-A21 PolarHBondContact O-N 2.87Å; L19-F22 PolarHBondContact O-N 3.31Å
20S46.2Very low44.1Very low90 Ų90111.4 Ų111.463%0.62967%0.668SS**G310 helixtrans-61.5-26172.246.50000113.8P18 F22P18-S20 PolarHBondContact O-N 3.06Å; S20-F22 PolarHBondContact O-N 3.49Å
21A51.4Low43Very low63 Ų63111 Ų11152%0.52167%0.67SS.*G310 helixtrans-67-17.3175.900000113.6P18 L19P18-A21 WeakPolarHBondContact O-CB 3.38Å; P18-A21 PolarHBondContact O-N 2.98Å; L19-A21 PolarHBondContact O-N 2.87Å
22F47.6Very low42Very low137 Ų137112.4 Ų112.460%0.60168%0.679SS**G310 helixtrans-110.40-173.1-60.4-80.5000114.1L17 L19 S20L17-F22 HydrophobicContact CB-CE2 4.43Å; L19-F22 PolarHBondContact O-N 3.31Å; S20-F22 PolarHBondContact O-N 3.49Å
23L40.3Very low41.2Very low132 Ų132113.2 Ų113.269%0.69169%0.687SS**  trans-12967.6-171.8-66.8177.5000112.6P25L23-P25 WeakPolarHBondContact O-CD 3.37Å
24S33Very low40.4Very low102 Ų102113.3 Ų113.371%0.71370%0.704SS**  trans-110.694170.4-690000111S26S24-S26 PolarHBondContact O-N 2.93Å; S24-S26 VanDerWaalsContact O-N 3.12Å
25P38.8Very low39.6Very low128 Ų128112.6 Ų112.683%0.83171%0.706SS**  trans-82.683177.433.5-34.4000111.3L23L23-P25 WeakPolarHBondContact O-CD 3.37Å
26S35.4Very low38.6Very low109 Ų109108.3 Ų108.376%0.76270%0.698SS**  trans-95.282169.761.40000110.6S24S24-S26 PolarHBondContact O-N 2.93Å; S24-S26 VanDerWaalsContact O-N 3.12Å
27E34Very low37.7Very low183 Ų183114.4 Ų114.486%0.85572%0.724SS**  trans-83.4123.9177.3-162.3-179.2168.300110.5G29E27-G29 PolarHBondContact O-N 3.25Å
28P37.1Very low36.9Very low120 Ų120113.4 Ų113.478%0.77973%0.733SS**  trans-79.190.2-17931.2-33.7000110.8R30P28-R30 PolarHBondContact O-N 3.03Å
29G28.9Very low35.9Very low73 Ų73117.5 Ų117.575%0.75375%0.751SS**  trans-57.5101.5176.900000112.8E27 A31E27-G29 PolarHBondContact O-N 3.25Å; G29-A31 PolarHBondContact O-N 3.4Å
30R29.8Very low35.6Very low235 Ų235124.3 Ų124.389%0.88778%0.781SS**  trans-71.790.7-179.4-175.6-173.1-116.8-120.11.1111P28 V32P28-R30 PolarHBondContact O-N 3.03Å; R30-V32 PolarHBondContact O-N 2.91Å
31A32.1Very low34.8Very low93 Ų93123.8 Ų123.877%0.76979%0.791SS**PPolyproline II helixtrans-59.1128.1168.900000110.6G29G29-A31 PolarHBondContact O-N 3.4Å
32V34.5Very low33.8Very low142 Ų142130 Ų13086%0.86181%0.809SS**PPolyproline II helixtrans-75.6134.4171.4172.30000108.6R30R30-V32 PolarHBondContact O-N 2.91Å
33G32.9Very low33.1Very low80 Ų80131.3 Ų131.383%0.82582%0.817SS**PPolyproline II helixtrans-71.5141.3-174.900000113.8
34G25.8Very low32.6Very low82 Ų82130.5 Ų130.585%0.84582%0.819SS**  trans-147.5122.7159.800000107.1
35G28.7Very low32.9Very low80 Ų80130.4 Ų130.483%0.82583%0.825SS**  trans-131.8154.5-175.400000111.9
36S29.1Very low32.4Very low106 Ų106127.7 Ų127.774%0.74182%0.82SS**  trans-167131.616461.20000112.4
37H33.3Very low32.3Very low199 Ų199129.3 Ų129.392%0.92183%0.83SS**  trans65.6165.1162.9-67.1-68.1000119.1
38A36.2Very low32Very low100 Ų100123.8 Ų123.883%0.82682%0.822SS**  trans-143.5165.6-161.100000110.5
39D31.7Very low31.5Very low162 Ų162125.3 Ų125.387%0.86682%0.824SS**  trans-148.4162152.6-157.71.2000108.8
40E41.1Very low31.8Very low194 Ų194127.6 Ų127.691%0.90783%0.825SS**  trans-86147-177.1-70.1-177.566.700112.9
41G29.9Very low32Very low80 Ų80126.1 Ų126.183%0.82583%0.828SS**  trans-164.4110.7177.800000112
42Q29.9Very low31.9Very low192 Ų192125 Ų12590%0.89783%0.825SS**  trans-58.6141.7-168.5-78.6154.2-120.400116.1
43E31.8Very low31.7Very low165 Ų165121.7 Ų121.777%0.77182%0.821SS**  trans-46.1143.3159.4-93.9-80.5121.400113.3
44P31.5Very low31.5Very low115 Ų115126.2 Ų126.275%0.74782%0.82SS**  -128.2131.7126.935.4-27.5000112.3G46P44-G46 PolarHBondContact O-N 3.14Å
45A38.2Very low31.9Very low101 Ų101127.4 Ų127.484%0.83581%0.813SS**  trans-58.2126.6-176.300000113.5
46G28.8Very low32.5Very low71 Ų71134.8 Ų134.873%0.73282%0.816SS**  trans-148.2112.4179.700000112.7P44 G48P44-G46 PolarHBondContact O-N 3.14Å; G46-G48 PolarHBondContact O-N 3.46Å
47C33.3Very low33.1Very low143 Ų143138 Ų13897%0.96682%0.819SS**  trans-28.3115178.5-165.60000116.2
48G26.6Very low33.5Very low66 Ų66134 Ų13468%0.6881%0.813SS**  trans-102.4109.4179.700000114.4G46G46-G48 PolarHBondContact O-N 3.46Å
49D26.6Very low34Very low153 Ų153136.2 Ų136.282%0.81881%0.811SS**  trans44.6132.4154.7-64.8-59.4000122.8
50P36.9Very low34.8Very low121 Ų121135.8 Ų135.879%0.78680%0.803SS**  trans-73.8129.2166.532-32.8000111.3G52P50-G52 PolarHBondContact O-N 3.41Å
51Q33.6Very low34.8Very low203 Ų203132.8 Ų132.895%0.94979%0.792SS**  trans-70.188.8-179.2-172.7171.576.300112.1G53Q51-G53 PolarHBondContact O-N 3.41Å
52G29.7Very low35.6Very low69 Ų69133 Ų13371%0.71178%0.778SS**PPolyproline II helixtrans-59.9129.8179.500000113.3P50P50-G52 PolarHBondContact O-N 3.41Å
53G29.5Very low36.5Very low74 Ų74125.8 Ų125.876%0.76375%0.751SS**PPolyproline II helixtrans-68.9135.1-175.600000114.2Q51Q51-G53 PolarHBondContact O-N 3.41Å
54Q30.1Very low37.4Very low175 Ų175121.2 Ų121.282%0.81873%0.732SS**PPolyproline II helixtrans-66.6123.9171.5-80.4-86.9-42.900111.6R56Q54-R56 PolarHBondContact O-N 3.12Å
55P34.2Very low38.3Very low107 Ų107119.3 Ų119.370%0.69572%0.718SS**  trans-72.7110.3171.729-32.4000110.5H57P55-H57 PolarHBondContact O-N 2.99Å
56R40.2Very low38.7Very low234 Ų234120.3 Ų120.388%0.88371%0.705SS**  trans-76.947.2-173.9-73.2-176159-158.5-3.4114.4Q54Q54-R56 PolarHBondContact O-N 3.12Å
57H40.9Very low39.6Very low175 Ų175122.7 Ų122.781%0.8170%0.701SS**  trans-134.559.6-170.8-54.5-58.5000113.9P55P55-H57 PolarHBondContact O-N 2.99Å
58S42.2Very low40.4Very low113 Ų113119.8 Ų119.879%0.7968%0.678SS**  trans-115.1114162.751.60000110.5
59L46.8Very low41.3Very low148 Ų148125.1 Ų125.178%0.77568%0.683SS**  trans-73.3124.7165.2-74.3170.9000108.1
60H47.8Very low42.3Very low152 Ų152125.6 Ų125.670%0.70468%0.68SS**  trans-58.3142.2178.2-113.3-73.6000110.7T62 A63H60-T62 PolarHBondContact O-N 3.05Å; H60-A63 WeakPolarHBondContact O-CB 3.36Å; H60-A63 PolarHBondContact O-N 3.41Å
61L42.5Very low42.8Very low131 Ų131122.5 Ų122.569%0.68666%0.656SS**Hα-helixtrans-48.6-32.7179.8-165.372.7000113A63 L64 V65L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 2.87Å; L61-L64 WeakPolarHBondContact O-CB 3.44Å; L61-L64 PolarHBondContact O-N 3.35Å; L61-V65 WeakPolarHBondContact O-CG2 3.28Å; L61-V65 PolarHBondContact O-N 3.14Å
62T46.3Very low43.4Very low86 Ų86116.1 Ų116.153%0.52863%0.632SS.*Hα-helixtrans-54-42.4174.6-28.90000113.5H60 V65 Q66H60-T62 PolarHBondContact O-N 3.05Å; T62-V65 PolarHBondContact O-N 2.92Å; T62-Q66 WeakPolarHBondContact O-CG 3.47Å; T62-Q66 PolarHBondContact O-N 3.05Å
63A48.8Very low44.2Very low40 Ų40120.8 Ų120.833%0.33164%0.636SS.*Hα-helixtrans-70.4-36179.600000111.7H60 L61 Q66 L67H60-A63 WeakPolarHBondContact O-CB 3.36Å; H60-A63 PolarHBondContact O-N 3.41Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 2.87Å; A63-Q66 PolarHBondContact O-N 2.93Å; A63-L67 WeakPolarHBondContact O-CB 3.4Å; A63-L67 PolarHBondContact O-N 3.4Å
64L50.1Low44.9Very low69 Ų69125 Ų12536%0.36163%0.633SS.*Hα-helixtrans-65.4-39.6172.3-104.4164.2000111.8M1 L61 V68M1-L64 HydrophobicContact CE-CD2 4.04Å; M1-L64 HydrophobicContact SD-CD2 3.91Å; L61-L64 WeakPolarHBondContact O-CB 3.44Å; L61-L64 PolarHBondContact O-N 3.35Å; L64-V68 WeakPolarHBondContact O-CG2 3.18Å; L64-V68 PolarHBondContact O-N 2.93Å; L64-V68 VanDerWaalsContact O-N 3.12Å
65V51Low45.5Very low75 Ų75122 Ų12246%0.45562%0.622SS.*Hα-helixtrans-68.2-35.8174.7172.20000111.8L61 T62 K69L61-V65 WeakPolarHBondContact O-CG2 3.28Å; L61-V65 PolarHBondContact O-N 3.14Å; T62-V65 PolarHBondContact O-N 2.92Å; V65-K69 WeakPolarHBondContact O-CB 3.41Å; V65-K69 WeakPolarHBondContact O-CG 3.36Å; V65-K69 PolarHBondContact O-N 2.8Å; V65-K69 VanDerWaalsContact O-N 3.08Å
66Q47.1Very low45.9Very low121 Ų121125 Ų12557%0.56562%0.624SS**Hα-helixtrans-65.6-48.5173.1-75.9169.2-3900111.4T62 A63 V68 K69 E70T62-Q66 WeakPolarHBondContact O-CG 3.47Å; T62-Q66 PolarHBondContact O-N 3.05Å; A63-Q66 PolarHBondContact O-N 2.93Å; Q66-V68 PolarHBondContact O-N 3.49Å; Q66-K69 CarbonylContact O-C 3.57Å; Q66-K69 PolarHBondContact O-N 3.48Å; Q66-E70 PolarHBondContact O-N 3.36Å
67L47.3Very low45.6Very low122 Ų122116.5 Ų116.564%0.63961%0.61SS**Hα-helixtrans-58.8-33.4177.6-172.669000113.1A63A63-L67 WeakPolarHBondContact O-CB 3.4Å; A63-L67 PolarHBondContact O-N 3.4Å
68V50.4Low45.2Very low81 Ų81115.3 Ų115.349%0.49161%0.605SS.*Hα-helixtrans-77.5-29.3174.8171.90000112.5L64 Q66L64-V68 WeakPolarHBondContact O-CG2 3.18Å; L64-V68 PolarHBondContact O-N 2.93Å; L64-V68 VanDerWaalsContact O-N 3.12Å; Q66-V68 PolarHBondContact O-N 3.49Å
69K46.2Very low45Very low179 Ų179116.7 Ų116.778%0.77861%0.608SS**Hα-helixtrans-80.2-18.4175.4-81-170.8169.9-167.60114.3V65 Q66V65-K69 WeakPolarHBondContact O-CB 3.41Å; V65-K69 WeakPolarHBondContact O-CG 3.36Å; V65-K69 PolarHBondContact O-N 2.8Å; V65-K69 VanDerWaalsContact O-N 3.08Å; Q66-K69 CarbonylContact O-C 3.57Å; Q66-K69 PolarHBondContact O-N 3.48Å
70E46.3Very low44.6Very low162 Ų162117.6 Ų117.676%0.75761%0.606SS**THydrogen-bonded Turntrans-100.617.8-178.2-156.3163.6-142.800112.8Q66 P72Q66-E70 PolarHBondContact O-N 3.36Å; E70-P72 VanDerWaalsContact O-CD 3.24Å; E70-P72 WeakPolarHBondContact O-CD 3.28Å
71I47.3Very low43.7Very low57 Ų57113.6 Ų113.629%0.29261%0.606SS.*SBendtrans-77110.8166.4-55.7-180000107.7L75I71-L75 HydrophobicContact CG2-CD1 3.88Å
72P46.9Very low43.6Very low69 Ų69112 Ų11245%0.44861%0.611SS.*  trans-69.5139.6-177.729.7-36.2000111.2E70 F74 L75E70-P72 VanDerWaalsContact O-CD 3.24Å; E70-P72 WeakPolarHBondContact O-CD 3.28Å; P72-F74 HydrophobicContact CB-CD1 3.82Å; P72-F74 HydrophobicContact CB-CE1 4Å; P72-F74 HydrophobicContact CG-CD1 3.72Å; P72-F74 HydrophobicContact CG-CE1 3.39Å; P72-F74 HydrophobicContact CG-CZ 4.31Å; P72-F74 PolarHBondContact O-N 2.92Å; P72-L75 PolarHBondContact O-N 3.38Å
73E46Very low42.9Very low167 Ų167116.7 Ų116.778%0.7863%0.629SS**G310 helixtrans-61.7-15.4-167.1-61.6173.6150.700114.4L75 F76E73-L75 PolarHBondContact O-N 2.86Å; E73-L75 VanDerWaalsContact O-N 3.1Å; E73-F76 PolarHBondContact O-N 3.38Å
74F44Very low42.2Very low161 Ų161121.8 Ų121.871%0.70665%0.651SS**G310 helixtrans-61.6-18.6178.781.5-105000114.3P72 F76P72-F74 HydrophobicContact CB-CD1 3.82Å; P72-F74 HydrophobicContact CB-CE1 4Å; P72-F74 HydrophobicContact CG-CD1 3.72Å; P72-F74 HydrophobicContact CG-CE1 3.39Å; P72-F74 HydrophobicContact CG-CZ 4.31Å; P72-F74 PolarHBondContact O-N 2.92Å; F74-F76 PolarHBondContact O-N 3.35Å
75L42.4Very low41.1Very low114 Ų114124.1 Ų124.160%0.59767%0.673SS**G310 helixtrans-73.8-15.4175.2-69.6174.6000113I71 P72 E73 G77I71-L75 HydrophobicContact CG2-CD1 3.88Å; P72-L75 PolarHBondContact O-N 3.38Å; E73-L75 PolarHBondContact O-N 2.86Å; E73-L75 VanDerWaalsContact O-N 3.1Å; L75-G77 PolarHBondContact O-N 3.1Å
76F42.7Very low40.7Very low168 Ų168126.2 Ų126.274%0.73769%0.688SS**SBendtrans-89.693.3167.3-60.7-73.3000109.1E73 F74E73-F76 PolarHBondContact O-N 3.38Å; F74-F76 PolarHBondContact O-N 3.35Å
77G33.9Very low39.7Very low57 Ų57130 Ų13059%0.58871%0.706SS**  trans-56.3139.9-177.200000113.2L75 V79L75-G77 PolarHBondContact O-N 3.1Å; G77-V79 PolarHBondContact O-N 2.88Å
78E33.8Very low39.1Very low149 Ų149129.7 Ų129.770%0.69671%0.714SS**  trans-62.886.7-178.3-169.9-166.8160.200111.7K80E78-K80 HydrophobicContact CG-CB 4.44Å; E78-K80 PolarHBondContact O-N 3.37Å; E78-K80 IonicContact OE1-NZ 2.67Å; E78-K80 PolarHBondContact OE1-NZ 3.44Å
79V37.1Very low37.9Very low142 Ų142135.5 Ų135.586%0.86174%0.736SS**  trans-7282.5170.9-178.30000108.4G77 G81G77-V79 PolarHBondContact O-N 2.88Å; V79-G81 PolarHBondContact O-N 3Å
80K38Very low37.2Very low168 Ų168132.4 Ų132.473%0.7374%0.737SS**  trans-74.659.6-179.5-154.9-174.4-159.188.50112E78 A82E78-K80 HydrophobicContact CG-CB 4.44Å; E78-K80 PolarHBondContact O-N 3.37Å; E78-K80 IonicContact OE1-NZ 2.67Å; E78-K80 PolarHBondContact OE1-NZ 3.44Å; K80-A82 PolarHBondContact O-N 3.21Å
81G30.4Very low36.4Very low68 Ų68135.7 Ų135.770%0.70174%0.742SS**  trans-71.8115.1170.800000110.2V79V79-G81 PolarHBondContact O-N 3Å
82A40.4Very low35.4Very low96 Ų96137 Ų13779%0.79377%0.77SS**  trans-82120173.300000110.3K80K80-A82 PolarHBondContact O-N 3.21Å
83M30.3Very low34.6Very low185 Ų185137.5 Ų137.591%0.91178%0.779SS**  trans-147.9126.4157-99.5-60.9173.800109.1
84D33.8Very low33.7Very low147 Ų147135 Ų13579%0.78678%0.78SS**  trans-90.5135.6176.9-55-87.7000110.7
85S27.7Very low33.3Very low118 Ų118134.7 Ų134.783%0.82579%0.786SS**  trans-176.6139.5131.2-80.50000111.3
86P42.4Very low32.7Very low119 Ų119137.2 Ų137.277%0.77380%0.799SS**  trans-99.3137.3170.635.7-28.8000111.5
87E26.6Very low32.1Very low201 Ų201132.3 Ų132.394%0.93980%0.797SS**  trans-115.5142.6156.6-70.6-164.2100.400109.6
88S34.6Very low31.7Very low116 Ų116139.2 Ų139.281%0.81181%0.813SS**  trans-122.4119.2-175.5-62.60000109.2
89E26.1Very low31.5Very low203 Ų203143.6 Ų143.695%0.94982%0.824SS**  trans-104.5139.5165.5-74.2-143.1100.200111.4
90S30.5Very low31Very low113 Ų113142 Ų14279%0.7983%0.825SS**  trans-109.3126.1-162.864.30000112.5G92S90-G92 PolarHBondContact O-N 3.27Å; S90-G92 VanDerWaalsContact O-N 3.08Å
91R28.8Very low30.3Very low232 Ų232139.4 Ų139.488%0.87583%0.828SS**  trans5.790.6146.4-174-171.2177.8-176.4-0.7115.5A93R91-A93 HydrophobicContact CG-CB 4.49Å; R91-A93 PolarHBondContact O-N 3.5Å
92G27.3Very low30.8Very low84 Ų84141.1 Ų141.187%0.86683%0.827SS**  trans-81.3101.9161.300000111S90S90-G92 PolarHBondContact O-N 3.27Å; S90-G92 VanDerWaalsContact O-N 3.08Å
93A29.7Very low30Very low79 Ų79145.1 Ų145.165%0.65383%0.829SS**  trans-145.299.1170.300000109.5R91R91-A93 HydrophobicContact CG-CB 4.49Å; R91-A93 PolarHBondContact O-N 3.5Å
94S27.9Very low29.8Very low114 Ų114140.6 Ų140.680%0.79782%0.821SS**  trans-91-178.4179.8-166.70000111.6
95L35Very low29.4Very low156 Ų156138.3 Ų138.382%0.81782%0.823SS**  trans74.387.6173.6-50.8-176.8000115.1
96D29.8Very low29.4Very low166 Ų166137.1 Ų137.189%0.88882%0.82SS**  58.5147.3106.2-156.522.9000119.1
97G29.8Very low28.5Very low66 Ų66143.5 Ų143.568%0.6883%0.829SS**  trans-152133-174.100000113.6
98E26.3Very low28.6Very low201 Ų201140.9 Ų140.994%0.93982%0.817SS**  trans-111.4145.2176.7-168.315282.300112
99R28.6Very low28.7Very low242 Ų242141.2 Ų141.291%0.91382%0.816SS**  trans-103.9126.1-177.3-73.6168.8157.4-108.33.9110.8
100A26.3Very low28.8Very low107 Ų107135.8 Ų135.888%0.88480%0.799SS**  trans-149.8155.7157.100000112
101S23.7Very low29.5Very low114 Ų114136.5 Ų136.580%0.79780%0.802SS**  trans-170.6153.4-172.6178.20000108.2
102P41.9Very low29.7Very low104 Ų104133.1 Ų133.168%0.67580%0.8SS**  cis-133.3-171.2-28.436.6-18.3000113.3
103E24Very low29.8Very low180 Ų180140.4 Ų140.484%0.84180%0.801SS**  trans82.5118139.7-152.3154.2138.200123
104A24.7Very low29.6Very low90 Ų90140 Ų14074%0.74480%0.804SS**  trans63.9122.9143.800000123.5
105A26.7Very low29.7Very low99 Ų99141.9 Ų141.982%0.81881%0.805SS**  141.4136.4106.800000117
106A26.1Very low29.4Very low94 Ų94142.3 Ų142.378%0.77781%0.807SS**  trans88.4110.2144.100000123.3
107R24.6Very low29.2Very low252 Ų252139.6 Ų139.695%0.95180%0.802SS**  trans90128.1133.3-76.1-178.5164.8173.4-4.8122.3
108E27.9Very low29.1Very low147 Ų147142.6 Ų142.669%0.68781%0.81SS**  trans-87.8169.7167.6-145.8-157.6-94.400110.8C110E108-C110 PolarHBondContact OE2-N 3.49Å; E108-C110 PolarHBondContact OE2-SG 2.95Å
109P36.7Very low29.3Very low123 Ų123140.9 Ų140.980%0.79981%0.807SS**  -142.9153.47936.4-18.8000117.2
110C29.3Very low29.8Very low88 Ų88134.9 Ų134.960%0.59580%0.799SS**  trans-76.5176.4176-61.70000115.1E108E108-C110 PolarHBondContact OE2-N 3.49Å; E108-C110 PolarHBondContact OE2-SG 2.95Å
111P45.2Very low29.9Very low129 Ų129137.3 Ų137.384%0.83880%0.798SS**  -141.4156.487.438.3-23.5000117.8
112L33.1Very low30Very low160 Ų160135 Ų13584%0.83879%0.792SS**  trans-28.9153.1166.4-51.7162.8000115.6
113R27.8Very low30Very low237 Ų237135.8 Ų135.889%0.89480%0.797SS**  171.8142.156.4-158.1170.1-171.7-103.22.6111.2
114G26.8Very low30.2Very low70 Ų70133.5 Ų133.572%0.72280%0.795SS**  trans-177.3140.7170.800000114
115L29.3Very low30.4Very low155 Ų155135 Ų13581%0.81280%0.8SS**  trans-70.1143.1-172.8-77.275.8000112.3
116L28.5Very low30.4Very low164 Ų164139.1 Ų139.186%0.85980%0.803SS**  71.198.255-84.5173.6000115.9
117S26.5Very low30.6Very low110 Ų110139.9 Ų139.977%0.76980%0.799SS**  trans-173.4129.913454.40000114.5
118C26.3Very low30.7Very low128 Ų128137.4 Ų137.487%0.86580%0.798SS**  trans55.1101.8148.2-53.30000122.2
119L30.6Very low30.8Very low165 Ų165138 Ų13886%0.86481%0.806SS**  trans-82.1174.9140.9-87.3161.1000109.5
120P40.5Very low30.3Very low117 Ų117136.4 Ų136.476%0.7680%0.802SS**  cis-135.3164.214.342.8-26.4000117.6
121D27.5Very low30.2Very low158 Ų158138.4 Ų138.485%0.84581%0.812SS**  trans-89.2166.9152.7-92.9-61.1000111.3
122G26.3Very low29.5Very low66 Ų66138 Ų13868%0.6881%0.807SS**  trans-74.7-160.2170.600000113.8
123P42.3Very low29.7Very low120 Ų120135.8 Ų135.878%0.77980%0.803SS**  cis-143.2170.433.742.3-23.6000117.9
124T27.1Very low29.7Very low131 Ų131130 Ų13080%0.80479%0.793SS**  trans4.7124.9135.5-42.40000119.3
125S28.7Very low29.5Very low121 Ų121133.7 Ų133.785%0.84680%0.797SS**  -163.4156.4127.236.20000110.8
126Q28.3Very low29.2Very low187 Ų187132 Ų13287%0.87480%0.798SS**  trans-114.5142.8-156.8-166.6172.3-0.500112.3
127P29.7Very low29.1Very low109 Ų109129.7 Ų129.771%0.70880%0.795SS**PPolyproline II helixtrans-88.3158.7-175.835.1-36.3000113.6
128H25.5Very low28.9Very low201 Ų201130.4 Ų130.493%0.93180%0.799SS**PPolyproline II helixtrans-95.1139.9159.1-99.9-90.2000111.6
129L30.3Very low28.9Very low160 Ų160129.9 Ų129.984%0.83880%0.797SS**PPolyproline II helixtrans-77163.5178.4-68.3166.2000111.6
130A27.2Very low28.8Very low88 Ų88128.4 Ų128.473%0.72780%0.8SS**  cis-167.3175-16.600000109.6
131T25.8Very low28.2Very low130 Ų130126.2 Ų126.280%0.79880%0.799SS**  trans-88.5170.1171.151.40000113.5
132T31.7Very low28.8Very low121 Ų121125 Ų12574%0.74280%0.8SS**  trans-37158.7153.643.10000114.2
133P38.1Very low29Very low114 Ų114128.8 Ų128.874%0.7481%0.81SS**  cis-152.8176.44743.1-21.2000121.4
134T26.4Very low28.3Very low114 Ų114126.5 Ų126.570%0.69981%0.808SS**  trans-15.2133.7155.6-27.30000119.6
135D23.2Very low28.5Very low149 Ų149128.2 Ų128.280%0.79781%0.812SS**  167.5136.5107.1-102.6-46.1000113.6
136S23.7Very low28.6Very low119 Ų119125.7 Ų125.783%0.83281%0.806SS**  trans172138.3143.135.10000114.8
137S24.5Very low28.8Very low115 Ų115122.8 Ų122.880%0.80480%0.8SS**  trans-67.5170.3169.7-40.30000112.5
138C23.6Very low28.9Very low126 Ų126126.2 Ų126.285%0.85181%0.807SS**  cis-159.4164.97.3-141.60000109.5
139S26.7Very low28.9Very low117 Ų117119.7 Ų119.782%0.81879%0.794SS**  trans-135.8143.7167.261.50000112.7
140S28.5Very low28.8Very low133 Ų133117.6 Ų117.693%0.9379%0.793SS**  trans-105.3139.3-175.3-52.80000111.4
141G27Very low30Very low71 Ų71118.4 Ų118.473%0.73279%0.791SS**  trans-161.5141.2174.300000111.7
142P39.9Very low30.5Very low134 Ų134119.3 Ų119.387%0.8779%0.79SS**  trans-93168.5-16636.4-37.4000115.8
143T29.8Very low31Very low144 Ų144118.4 Ų118.488%0.88379%0.786SS**  trans-75.1153.9-177.1-32.50000114.5
144G29.3Very low30.5Very low73 Ų73120 Ų12075%0.75379%0.787SS**  trans-163.2147.1166.800000112
145D30.7Very low30.7Very low166 Ų166123.9 Ų123.989%0.88879%0.794SS**  trans-101.6148-159.2-96.9-56.1000117.7
146G31Very low31Very low69 Ų69122.1 Ų122.171%0.71179%0.789SS**  trans79.7167.9142.200000120.4
147V31.3Very low31.3Very low125 Ų125120.5 Ų120.576%0.75878%0.782SS**  cis-164.3139.3-16.2105.90000111
148Q32.2Very low31.4Very low182 Ų182122.3 Ų122.385%0.8578%0.783SS**  trans56.3161.7164.2-62.3176.751.400119.3
149G26.4Very low32.2Very low64 Ų64124.8 Ų124.866%0.6678%0.78SS**  cis156.9148.7-13.800000115.2
150S28.6Very low33.2Very low116 Ų116125.3 Ų125.381%0.81178%0.78SS**  trans83.7166148.2-53.10000119.2
151P52.1Low33.1Very low105 Ų105129.5 Ų129.568%0.68278%0.776SS**  -145.3-158.1-96.332.4-5000117.2
152L34.9Very low34Very low148 Ų148131.2 Ų131.278%0.77577%0.774SS**  trans90.8162.3156.4-55.2-173.7000120.1
153P43.5Very low33.6Very low102 Ų102130.7 Ų130.766%0.66277%0.768SS**  cis-142.8150-37.636.1-18.1000118.4
154I28.3Very low33.5Very low147 Ų147133.6 Ų133.675%0.75476%0.763SS**  35.1126.8129-46.6167.8000122.4
155K29.1Very low33.7Very low196 Ų196136.7 Ų136.785%0.85276%0.756SS**  172162.9127.1-93.5168.481.2172.70111.7
156T30.7Very low33.6Very low113 Ų113136.5 Ų136.569%0.69375%0.75SS**  cis-177.5150.5-39.6-83.10000109.1
157A29.4Very low33.3Very low84 Ų84136.8 Ų136.869%0.69475%0.752SS**  trans71.7152.316500000118.7
158D26.8Very low34.3Very low154 Ų154137.5 Ų137.582%0.82476%0.759SS**  cis-157.9-177.8-19.6-122.1-60.5000114.9
159K40.2Very low34.1Very low178 Ų178132.6 Ų132.677%0.77476%0.758SS**  trans-89.8173.6-175.1-91.9168.6-177.5171.60114.6
160P48.1Very low34.1Very low127 Ų127134 Ų13483%0.82576%0.764SS**  -154.6-160.750.244.1-18.9000120.4
161W26.9Very low34.1Very low221 Ų221137.1 Ų137.184%0.83777%0.77SS**  trans-84.9-179.1-166-130.2-129.1000115.1
162P46Very low32.9Very low108 Ų108136.2 Ų136.270%0.70178%0.78SS**  -161.715362.342.7-18.9000123.5
163T29.5Very low32.5Very low122 Ų122133.3 Ų133.375%0.74879%0.786SS**  trans66.3162.6147.945.70000121.6
164R28.7Very low31.5Very low206 Ų206137.4 Ų137.478%0.77780%0.796SS**  cis-161.5155.910.4-146.1-165.9171.1-153.63.2115.2
165K32.4Very low32Very low138 Ų138134.7 Ų134.760%0.679%0.788SS**  trans62.1162.9155.2-82.6-153.3166.4-75.60122.2
166E28.8Very low31.8Very low162 Ų162131 Ų13176%0.75779%0.787SS**  cis150.8121-43.2176.3177.2-136.600114.9
167G25.5Very low32.9Very low74 Ų74131.1 Ų131.176%0.76379%0.79SS**  trans165.3147.6166.900000117.7
168P53.2Low33.2Very low140 Ų140132.2 Ų132.291%0.90979%0.79SS**  trans-142.1173.1-160.843.2-24.3000121.2
169G26.3Very low33Very low80 Ų80130.4 Ų130.483%0.82578%0.784SS**  trans116.1160.8153.600000118.4
170A27.4Very low32.1Very low94 Ų94129.8 Ų129.878%0.77778%0.784SS**  cis-171.2157.6-22.300000113.4
171L29.2Very low31.3Very low180 Ų180128.2 Ų128.294%0.94278%0.776SS**  trans70.8129.7157.2-64.6169000124.5
172G26.6Very low32.1Very low86 Ų86122.9 Ų122.989%0.88777%0.77SS**  119.9126.7129.100000121.6
173G25.8Very low31.2Very low88 Ų88123.3 Ų123.391%0.90778%0.775SS**  trans132.6126149.600000120.7
174E22.6Very low31.2Very low188 Ų188127 Ų12788%0.87978%0.776SS**  trans-131.1-176.9163.6-119.8-157.795.400107
175P38.5Very low31.3Very low89 Ų89126.7 Ų126.758%0.57877%0.774SS**  cis-135.8157.3-46.535.8-17.9000116.5
176S24.3Very low31Very low120 Ų120129.4 Ų129.484%0.83979%0.786SS**  trans64.7-169.6149.8-39.60000119.8
177P55.6Low31.1Very low115 Ų115126.1 Ų126.175%0.74778%0.781SS**  trans-121.8-165.8-137.439.1-14.9000113.9
178P35.3Very low31.2Very low107 Ų107130.1 Ų130.170%0.69578%0.779SS**  -164.4176.18541-17000120.2
179T21.4Very low30.1Very low115 Ų115134.1 Ų134.171%0.70678%0.776SS**  trans66114.3140.946.10000126.8
180H22Very low30.2Very low166 Ų166134 Ų13477%0.76978%0.775SS**  67.1112.1117.6-85.3-107.1000126.1
181S32Very low30.4Very low93 Ų93138.6 Ų138.665%0.6578%0.781SS**  53.3-169.9112.479.50000121.1
182P43Very low30.3Very low110 Ų110138.9 Ų138.971%0.71478%0.777SS**  cis-140168.6-12.240.7-23000117.8
183S26.3Very low30.6Very low116 Ų116146 Ų14681%0.81178%0.777SS**  trans170.1138.1135.540.90000110.9
184R29.8Very low30.9Very low200 Ų200145.1 Ų145.176%0.75577%0.768SS**  cis87.2118.624.7-165.1172.4176.964.9-16.7112.1
185R31.3Very low31.2Very low200 Ų200143.3 Ų143.376%0.75577%0.77SS**  cis-139.4-16922.4-114.7162.7-63.5-1592.6109.5
186K26.7Very low30.8Very low195 Ų195143.8 Ų143.885%0.84878%0.776SS**  cis-141.4-140.512.4-155.9177.4175.5-178.70110.5
187S31.1Very low31.1Very low93 Ų93147.2 Ų147.265%0.6578%0.778SS**  trans-168.1156.5-176.861.70000115.4
188H27.1Very low29.7Very low157 Ų157146.5 Ų146.573%0.72778%0.783SS**  trans175.1140.1141.4-96.532.1000108.7
189R30.1Very low29.4Very low224 Ų224145.4 Ų145.485%0.84579%0.791SS**  cis101.9115.743.6-178.6-160.9-86.2-90.84.2110.6
190G28.6Very low29.8Very low78 Ų78148 Ų14880%0.80480%0.798SS**  trans179.2142.716900000112.1
191Q32.1Very low30.2Very low191 Ų191145 Ų14589%0.89380%0.796SS**  trans-159.6115-178.8174.2-165.755.100110.4
192E25.8Very low30.7Very low185 Ų185145.8 Ų145.886%0.86480%0.799SS**  trans-153.4128.1161.6-97.1169.3131.700106.1
193R32.2Very low30.3Very low236 Ų236143.7 Ų143.789%0.89180%0.797SS**  84.366.260.6-167.6178.9-98.9-87.12.4113.8
194G33.8Very low31.1Very low69 Ų69146 Ų14671%0.71180%0.8SS**  trans52.2130.4137.300000122.7
195T27.3Very low31.9Very low151 Ų151139.1 Ų139.193%0.92678%0.783SS**  trans-156.1170.1139.919.20000110.8
196S29.9Very low32.5Very low99 Ų99135.1 Ų135.169%0.69278%0.783SS**  trans-74.6169.3-165.1-43.90000117.4
197E32Very low33.6Very low191 Ų191131.7 Ų131.789%0.89377%0.773SS**  trans63.4113.8148-74171.7111.800121.8
198A26.2Very low35.2Very low101 Ų101130.9 Ų130.984%0.83576%0.759SS**  trans-153129.8132.300000109.2
199G28.3Very low37.1Very low84 Ų84125.1 Ų125.187%0.86674%0.742SS**PPolyproline II helixtrans-85.7143.5-177.200000113.7
200I29.6Very low38.5Very low169 Ų169119.6 Ų119.687%0.86773%0.729SS**PPolyproline II helixtrans-94.4119.5172.4-51.9177000108.6
201S30.4Very low40.3Very low102 Ų102119.6 Ų119.671%0.71371%0.709SS**PPolyproline II helixtrans-79.2129.5-175.7-171.50000112.7
202P42.1Very low41.4Very low111 Ų111114.3 Ų114.372%0.72169%0.687SS**PPolyproline II helixtrans-92.7116.5-178.533.9-32.2000113.8
203G35.2Very low42.6Very low65 Ų65108.7 Ų108.767%0.6767%0.668SS**  trans49.682.1146.600000118.8S205G203-S205 PolarHBondContact O-N 3.26Å; G203-S205 VanDerWaalsContact O-N 3.14Å
204N43Very low43.8Very low165 Ų165102.7 Ų102.788%0.88265%0.653SS**  trans-66.1109.5168.9-69.7-17.8000111.6
205S46.4Very low44.7Very low56 Ų56106.4 Ų106.439%0.39265%0.65SS.*  trans-121.2150.5157.4800000109.7G203 L207 Q208 G209G203-S205 PolarHBondContact O-N 3.26Å; G203-S205 VanDerWaalsContact O-N 3.14Å; S205-L207 PolarHBondContact O-N 2.96Å; S205-Q208 PolarHBondContact O-N 3.22Å; S205-Q208 WeakPolarHBondContact OG-CB 3.39Å; S205-Q208 PolarHBondContact OG-N 3.48Å; S205-G209 PolarHBondContact O-N 2.92Å
206P45Very low45.9Very low115 Ų115106.5 Ų106.575%0.74764%0.64SS**Hα-helixtrans-57.9-36.8179.2-25.635.1000112.7G209 L210P206-G209 PolarHBondContact O-N 2.87Å; P206-L210 PolarHBondContact O-N 3.43Å
207L49.7Very low46.6Very low124 Ų124107.7 Ų107.765%0.64964%0.637SS**Hα-helixtrans-66.3-39174.9-65.7173.4000112.1S205 G209 L210 I211S205-L207 PolarHBondContact O-N 2.96Å; L207-G209 VanDerWaalsContact C-N 3.31Å; L207-G209 PolarHBondContact O-N 3.32Å; L207-L210 PolarHBondContact O-N 2.9Å; L207-I211 WeakPolarHBondContact O-CB 3.32Å; L207-I211 WeakPolarHBondContact O-CD1 3.47Å; L207-I211 WeakPolarHBondContact O-CG1 3.4Å; L207-I211 PolarHBondContact O-N 2.88Å
208Q63.5Low47.3Very low76 Ų76104.9 Ų104.936%0.35563%0.627SS.*Hα-helixtrans-67.4-34174.9-16959.862.300111.9S205 N212S205-Q208 PolarHBondContact O-N 3.22Å; S205-Q208 WeakPolarHBondContact OG-CB 3.39Å; S205-Q208 PolarHBondContact OG-N 3.48Å; Q208-N212 PolarHBondContact NE2-OD1 3.23Å; Q208-N212 WeakPolarHBondContact O-CB 3.49Å; Q208-N212 PolarHBondContact O-N 3.41Å; Q208-N212 PolarHBondContact O-OD1 3.44Å
209G66.8Low48Very low36 Ų36106.1 Ų106.137%0.37162%0.624SS.*Hα-helixtrans-59.4-53.9170.100000111.8S205 P206 L207 I211 N212 C213S205-G209 PolarHBondContact O-N 2.92Å; P206-G209 PolarHBondContact O-N 2.87Å; L207-G209 VanDerWaalsContact C-N 3.31Å; L207-G209 PolarHBondContact O-N 3.32Å; G209-I211 PolarHBondContact O-N 3.41Å; G209-N212 PolarHBondContact O-N 3.47Å; G209-N212 VanDerWaalsContact O-N 3.14Å; G209-C213 PolarHBondContact O-N 3.08Å; G209-C213 PolarHBondContact O-SG 3.24Å; G209-C213 VanDerWaalsContact O-SG 3.41Å
210L59.8Low48.5Very low107 Ų107108 Ų10856%0.5662%0.621SS**Hα-helixtrans-58.8-43176.6-72.2167.5000112.6P206 L207 N212 C213 L214P206-L210 PolarHBondContact O-N 3.43Å; L207-L210 PolarHBondContact O-N 2.9Å; L210-N212 VanDerWaalsContact C-N 3.32Å; L210-N212 PolarHBondContact O-N 3.39Å; L210-C213 PolarHBondContact O-N 2.73Å; L210-L214 WeakPolarHBondContact O-CB 3.36Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.32Å; L210-L214 PolarHBondContact O-N 3.18Å
211I66.1Low48.7Very low78 Ų78102 Ų10240%0.460%0.601SS.*Hα-helixtrans-64.2-36.1176.7-71163.7000111.5L207 G209 K215L207-I211 WeakPolarHBondContact O-CB 3.32Å; L207-I211 WeakPolarHBondContact O-CD1 3.47Å; L207-I211 WeakPolarHBondContact O-CG1 3.4Å; L207-I211 PolarHBondContact O-N 2.88Å; G209-I211 PolarHBondContact O-N 3.41Å; I211-K215 HydrophobicContact CG2-CD 4.45Å; I211-K215 WeakPolarHBondContact O-CB 3.34Å; I211-K215 VanDerWaalsContact O-CG 3.31Å; I211-K215 WeakPolarHBondContact O-CG 3.38Å; I211-K215 PolarHBondContact O-N 3.24Å; I211-K215 VanDerWaalsContact O-N 3.14Å
212N57Low48.9Very low80 Ų80103.3 Ų103.343%0.42861%0.607SS.*Hα-helixtrans-71.6-45.3175.7-73.30.1000111.3Q208 G209 L210 L214 K215 E216Q208-N212 PolarHBondContact NE2-OD1 3.23Å; Q208-N212 WeakPolarHBondContact O-CB 3.49Å; Q208-N212 PolarHBondContact O-N 3.41Å; Q208-N212 PolarHBondContact O-OD1 3.44Å; G209-N212 PolarHBondContact O-N 3.47Å; G209-N212 VanDerWaalsContact O-N 3.14Å; L210-N212 VanDerWaalsContact C-N 3.32Å; L210-N212 PolarHBondContact O-N 3.39Å; N212-L214 VanDerWaalsContact C-N 3.34Å; N212-L214 PolarHBondContact O-N 3.2Å; N212-K215 CarbonylContact O-C 3.57Å; N212-K215 WeakPolarHBondContact O-CA 3.2Å; N212-K215 WeakPolarHBondContact O-CB 3.25Å; N212-K215 PolarHBondContact O-N 2.81Å; N212-E216 PolarHBondContact O-N 3.48Å
213C50.5Low48.3Very low68 Ų68109.6 Ų109.646%0.45962%0.616SS.*Hα-helixtrans-60.1-42.2175.4-660000112.1G209 L210 K215 E216 I217G209-C213 PolarHBondContact O-N 3.08Å; G209-C213 PolarHBondContact O-SG 3.24Å; G209-C213 VanDerWaalsContact O-SG 3.41Å; L210-C213 PolarHBondContact O-N 2.73Å; C213-K215 VanDerWaalsContact C-N 3.25Å; C213-K215 PolarHBondContact O-N 2.89Å; C213-E216 PolarHBondContact O-N 3.02Å; C213-E216 VanDerWaalsContact O-N 3.12Å; C213-I217 WeakPolarHBondContact O-CD1 3.38Å; C213-I217 VanDerWaalsContact O-CG1 3.28Å; C213-I217 WeakPolarHBondContact O-CG1 3.36Å; C213-I217 PolarHBondContact O-N 3.46Å
214L56.9Low47.9Very low110 Ų110114.4 Ų114.458%0.57662%0.621SS**Hα-helixtrans-64.6-28.4174.9-71.9168.6000112.9L210 N212L210-L214 WeakPolarHBondContact O-CB 3.36Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.32Å; L210-L214 PolarHBondContact O-N 3.18Å; N212-L214 VanDerWaalsContact C-N 3.34Å; N212-L214 PolarHBondContact O-N 3.2Å
215K52.1Low47.4Very low147 Ų147112.5 Ų112.564%0.63962%0.618SS**Hα-helixtrans-77-24.7171.7-78.2176.8177.1-176.70114I211 N212 C213 L218I211-K215 HydrophobicContact CG2-CD 4.45Å; I211-K215 WeakPolarHBondContact O-CB 3.34Å; I211-K215 VanDerWaalsContact O-CG 3.31Å; I211-K215 WeakPolarHBondContact O-CG 3.38Å; I211-K215 PolarHBondContact O-N 3.24Å; I211-K215 VanDerWaalsContact O-N 3.14Å; N212-K215 CarbonylContact O-C 3.57Å; N212-K215 WeakPolarHBondContact O-CA 3.2Å; N212-K215 WeakPolarHBondContact O-CB 3.25Å; N212-K215 PolarHBondContact O-N 2.81Å; C213-K215 VanDerWaalsContact C-N 3.25Å; C213-K215 PolarHBondContact O-N 2.89Å; K215-L218 VanDerWaalsContact O-O 3.1Å
216E52.6Low46.5Very low153 Ų153118.3 Ų118.372%0.71564%0.639SS**Hα-helixtrans-83.2-27.3174.6-70.5-173.8154.300112.7N212 C213 L218N212-E216 PolarHBondContact O-N 3.48Å; C213-E216 PolarHBondContact O-N 3.02Å; C213-E216 VanDerWaalsContact O-N 3.12Å; E216-L218 VanDerWaalsContact C-N 3.31Å
217I46.2Very low45.6Very low123 Ų123119 Ų11963%0.63164%0.641SS**Hα-helixtrans-71.5-26.5176-67.1161.4000111.7C213C213-I217 WeakPolarHBondContact O-CD1 3.38Å; C213-I217 VanDerWaalsContact O-CG1 3.28Å; C213-I217 WeakPolarHBondContact O-CG1 3.36Å; C213-I217 PolarHBondContact O-N 3.46Å
218L46.2Very low44.4Very low132 Ų132118.2 Ų118.269%0.69165%0.646SS**SBendtrans-104115.1176.9-68.7174.9000111.2K215 E216K215-L218 VanDerWaalsContact O-O 3.1Å; E216-L218 VanDerWaalsContact C-N 3.31Å
219V40.8Very low43Very low127 Ų127120 Ų12077%0.7766%0.664SS**  trans81.795.2-178-170.20000114.7
220P39.4Very low40.9Very low123 Ų123123.8 Ų123.880%0.79968%0.684SS**  -97.4105.9123.7-19.834.1000111.4
221G33.3Very low39.3Very low43 Ų43127.9 Ų127.944%0.44370%0.698SS.*PPolyproline II helixtrans-71.8156.9163.200000110.8R223G221-R223 PolarHBondContact O-N 2.99Å; G221-R223 VanDerWaalsContact O-N 3.11Å
222P33.8Very low37.4Very low130 Ų130132.2 Ų132.284%0.84472%0.721SS**PPolyproline II helixtrans-60116.4-176.4-23.334000112.3
223R30.8Very low36.1Very low243 Ų243133.8 Ų133.892%0.91774%0.736SS**PPolyproline II helixtrans-90.5120.7167.4-71.1-169.4176.3-163.70.3109.1G221G221-R223 PolarHBondContact O-N 2.99Å; G221-R223 VanDerWaalsContact O-N 3.11Å
224H26.2Very low35.2Very low167 Ų167136.8 Ų136.877%0.77375%0.754SS**PPolyproline II helixtrans-69149.5172.1-80.4-103.7000111E226H224-E226 PolarHBondContact O-N 2.67Å
225P31.8Very low33.9Very low125 Ų125139.5 Ų139.581%0.81277%0.769SS**  trans-83.2112.2175.632-31.6000110.8
226E27.9Very low32.9Very low178 Ų178138 Ų13883%0.83277%0.774SS**  trans-110.1110.8168-69.2-155.9145.200112H224H224-E226 PolarHBondContact O-N 2.67Å
227T27.3Very low31.7Very low129 Ų129135.8 Ų135.879%0.79178%0.775SS**  trans51.290.2135.3-41.90000118.4
228S23.9Very low30.8Very low108 Ų108138 Ų13876%0.75579%0.788SS**PPolyproline II helixtrans-60.7133.3163.4-51.90000112
229P33.3Very low29.8Very low113 Ų113134.5 Ų134.573%0.73478%0.783SS**PPolyproline II helixtrans-76.4129.2173.130-33.3000111.8
230S23.4Very low29.3Very low115 Ų115135.8 Ų135.880%0.80479%0.791SS**PPolyproline II helixtrans-82.7122.1-174.6-44.60000113.1
231F26.2Very low28.6Very low194 Ų194134.7 Ų134.785%0.85179%0.787SS**  trans-137.4114.2162.3-73.4-75.8000111
232L26.2Very low28.5Very low168 Ų168143.2 Ų143.288%0.8881%0.806SS**  trans-123.8140.2168.2-71.7176.2000109.4
233P29.2Very low28.4Very low114 Ų114144.4 Ų144.474%0.7480%0.804SS**PPolyproline II helixtrans-73.8163.617431.7-34.7000112.2
234P31.6Very low28.2Very low130 Ų130139.2 Ų139.284%0.84480%0.8SS**PPolyproline II helixtrans-75.7154.3-166.529.2-36.4000115.7
235L29.1Very low28.3Very low167 Ų167141.6 Ų141.687%0.87480%0.802SS**PPolyproline II helixtrans-82.3140.1-179.3-112.3147.5000113.1
236P31.6Very low28.2Very low117 Ų117140.5 Ų140.576%0.7680%0.803SS**PPolyproline II helixtrans-79.1173.7160.833.2-34.4000112.5
237S27.1Very low28.3Very low105 Ų105138.1 Ų138.173%0.73480%0.796SS**  trans-99.5177.1-157.656.60000117
238L27.4Very low28.5Very low170 Ų170140 Ų14089%0.8980%0.801SS**  trans92.9134.2-179.6-7658.6000114.7
239G26.6Very low28.7Very low58 Ų58138 Ų13860%0.59880%0.797SS**  cis164.4151.2-8.600000112.7
240T28.5Very low29.1Very low154 Ų154139.4 Ų139.495%0.94581%0.806SS**  trans61.9151.1176.6400000116.7
241S25.4Very low29.2Very low101 Ų101137.3 Ų137.371%0.70680%0.803SS**  cis-157.2161-4.954.90000113.2
242R31.6Very low29.4Very low221 Ų221133.7 Ų133.783%0.83480%0.802SS**  trans66.9103.8148.8-83.7175.2147.9-940.4120.7
243L31.1Very low30.6Very low155 Ų155131.4 Ų131.481%0.81280%0.797SS**  trans-23.3143.5134.8-72151000116.2
244T27.3Very low31.1Very low135 Ų135131.5 Ų131.583%0.82880%0.797SS**  -150.7147.7125.2-69.60000108.6
245R27.7Very low30.8Very low217 Ų217136.6 Ų136.682%0.81980%0.8SS**  trans-126.4130.6-176175.6-170.7-175.9178.14.1109.5
246A29.4Very low30.7Very low101 Ų101132.7 Ų132.784%0.83579%0.791SS**  trans-146.7152.7163.100000108.8
247D31.1Very low30.6Very low128 Ų128133.5 Ų133.568%0.68479%0.794SS**  trans-121.7-171.6-169-135.6-54.4000110.4
248L31.2Very low31.1Very low169 Ų169138 Ų13889%0.88580%0.801SS**  trans76.3144179.3-42.2170.6000114.5
249G28.2Very low31.3Very low65 Ų65136.8 Ų136.867%0.6780%0.8SS**  cis173.1144.1-5.700000110
250P41.1Very low31.5Very low143 Ų143143.2 Ų143.293%0.92982%0.815SS**  trans-83.8148.9-167.432.7-36000114.6
251G26.1Very low31.4Very low72 Ų72140.1 Ų140.174%0.74281%0.805SS**  trans-158.1148.7172.900000112.5
252S28.8Very low31.5Very low118 Ų118142.2 Ų142.283%0.82581%0.813SS**  trans-155.2176.7-176.2-54.90000110.3
253P51.6Low31.6Very low120 Ų120136 Ų13678%0.77980%0.804SS**  -96.1-172-78.143-32.7000110.1
254P39.8Very low31.6Very low115 Ų115132.4 Ų132.475%0.74780%0.804SS**  -157.3168.180.841.4-21.6000117.3
255W26.7Very low31.8Very low238 Ų238132 Ų13290%0.90280%0.797SS**  149.9147.9127-165.6-88.7000111.3
256A26.6Very low32Very low84 Ų84126.1 Ų126.169%0.69479%0.787SS**  trans-115.6140.7-17600000112.5
257V30Very low32.5Very low135 Ų135127.8 Ų127.882%0.81879%0.79SS**  trans-123.6132.5169.2179.60000108.5
258K35.8Very low33.1Very low200 Ų200128.2 Ų128.287%0.8779%0.791SS**  trans-84.7138.2173.4-80.1-176170.4-172.60110.9
259T32.8Very low33.7Very low144 Ų144127.9 Ų127.988%0.88379%0.785SS**  trans-149.5145.6142.416.10000109
260E29.5Very low34.3Very low193 Ų193127.2 Ų127.290%0.90278%0.778SS**  trans-82.7150.5173-67.516363.600110.7
261A26.8Very low34.4Very low89 Ų89127 Ų12774%0.73677%0.768SS**  170125.6111.900000113.7
262V27.3Very low35.3Very low144 Ų144130.5 Ų130.587%0.87377%0.769SS**  trans65142141.6-178.60000119.9
263S35.4Very low35.8Very low92 Ų92131 Ų13164%0.64376%0.758SS**  trans-68.8140.9174.7-163.20000112.4D265S263-D265 PolarHBondContact OG-OD2 2.74Å
264G29.7Very low35.2Very low79 Ų79130.2 Ų130.281%0.81475%0.754SS**  trans-118.574.4178.300000112.1
265D31.9Very low35.3Very low127 Ų127132.6 Ų132.668%0.67976%0.76SS**  trans-79.3139.4-176.9-76.3-84.4000114.2S263S263-D265 PolarHBondContact OG-OD2 2.74Å
266C31.4Very low35.9Very low92 Ų92129.9 Ų129.962%0.62276%0.755SS**  trans35.1121152.2-60.30000120.2L268C266-L268 VanDerWaalsContact C-N 3.26Å; C266-L268 PolarHBondContact O-N 3.36Å
267P39.7Very low36.5Very low136 Ų136132 Ų13288%0.88375%0.75SS**THydrogen-bonded Turntrans-79.252.8-174.936.3-39.2000114.8
268L43.6Very low36.5Very low137 Ų137133.9 Ų133.972%0.71776%0.755SS**THydrogen-bonded Turntrans-121.4-1.8176-72175.5000114.5C266 G270C266-L268 VanDerWaalsContact C-N 3.26Å; C266-L268 PolarHBondContact O-N 3.36Å; L268-G270 PolarHBondContact O-N 3.35Å
269Q44.3Very low36.6Very low163 Ų163129.6 Ų129.676%0.76275%0.747SS**SBendtrans-69.8-30.1176.7-151.674.324.500113.3L271 L272Q269-L271 PolarHBondContact O-N 3.33Å; Q269-L272 PolarHBondContact O-N 2.98Å
270G40.8Very low36.5Very low50 Ų50132 Ų13252%0.51575%0.748SS.*G310 helixtrans-65.8-38-168.400000115.2L268 L272 H273L268-G270 PolarHBondContact O-N 3.35Å; G270-L272 VanDerWaalsContact C-N 3.26Å; G270-L272 PolarHBondContact O-N 3.36Å; G270-H273 PolarHBondContact O-N 3.08Å
271L43.3Very low36.5Very low139 Ų139127.7 Ų127.773%0.72875%0.746SS**G310 helixtrans-69.1-20.8-175.5-79.2167.1000113.9Q269Q269-L271 PolarHBondContact O-N 3.33Å
272L45.6Very low36.8Very low145 Ų145132.1 Ų132.176%0.75975%0.751SS**G310 helixtrans-88.5-9.2177.3-74.7168.3000113.7Q269 G270Q269-L272 PolarHBondContact O-N 2.98Å; G270-L272 VanDerWaalsContact C-N 3.26Å; G270-L272 PolarHBondContact O-N 3.36Å
273H38.2Very low36.7Very low128 Ų128131.8 Ų131.859%0.59375%0.745SS**THydrogen-bonded Turntrans-90.8-28.3175-156.3-59.9000112.7G270 L275 K276G270-H273 PolarHBondContact O-N 3.08Å; H273-L275 PolarHBondContact O-N 3.38Å; H273-K276 PolarHBondContact O-N 2.88Å
274C40.6Very low36.3Very low104 Ų104137.7 Ų137.770%0.70375%0.753SS**THydrogen-bonded Turntrans-72.9-4.4-176.5-640000115.3
275L40.9Very low36.2Very low165 Ų165141.5 Ų141.586%0.86475%0.749SS**THydrogen-bonded Turntrans-107.810.2177.4-77.2170.9000113.9H273H273-L275 PolarHBondContact O-N 3.38Å
276K39.2Very low36.6Very low181 Ų181141.4 Ų141.479%0.78776%0.756SS**SBendtrans-118.9-9.1-179.7-158.4172178.7-175.90114.9H273H273-K276 PolarHBondContact O-N 2.88Å
277E40.7Very low36.4Very low128 Ų128141.6 Ų141.660%0.59876%0.758SS**  trans-116.397.9-175.2-74.4-62.4152.900112.5
278L28.5Very low36.3Very low176 Ų176140.8 Ų140.892%0.92175%0.753SS**  trans-139.3101.1153.4-99177.3000107.9
279P38.3Very low35.5Very low110 Ų110140.5 Ų140.571%0.71476%0.762SS**PPolyproline II helixtrans-81.9143.2-176.231.5-34.7000112.4
280E31.4Very low34.6Very low193 Ų193136.3 Ų136.390%0.90276%0.763SS**PPolyproline II helixtrans-89.1129.2175.5-161.7162.9-151.100110.2
281A29.4Very low34.1Very low103 Ų103141.6 Ų141.685%0.85178%0.784SS**PPolyproline II helixtrans-82.4131.4-165.200000113.7
282Q32.7Very low33.3Very low182 Ų182138.5 Ų138.585%0.8579%0.786SS**PPolyproline II helixtrans-88155.9172.1-59.9178.2-0.600111.7
283D26Very low32.5Very low138 Ų138139.4 Ų139.474%0.73879%0.792SS**  trans-144113.1149.7-144.2-3.3000113.5
284R26.8Very low31.8Very low216 Ų216144.4 Ų144.482%0.81581%0.805SS**  trans52.5103.3153.2-69.2161.7-162.9-122.5-7.5122.7
285H26.7Very low31.1Very low159 Ų159150.8 Ų150.874%0.73682%0.815SS**  11.1154.7114.9-82.8-75.9000120.9
286P39.8Very low30.5Very low125 Ų125150 Ų15081%0.81281%0.811SS**  cis-137177.830.239.5-20.2000118.4
287S29Very low29.9Very low95 Ų95148.4 Ų148.466%0.66481%0.806SS**  trans-78.8168.4-177.7-32.10000113.8
288P36.9Very low29.2Very low120 Ų120148.7 Ų148.778%0.77981%0.807SS**  -156.616982.242.3-23.5000118.9
289S26.2Very low29.3Very low130 Ų130146.9 Ų146.991%0.90980%0.799SS**  trans68.1148150.4-157.70000120.8
290G25.9Very low29.6Very low75 Ų75147.2 Ų147.277%0.77380%0.801SS**  trans154.674.4168.800000116.6
291V29.7Very low29.8Very low161 Ų161141.9 Ų141.998%0.97680%0.798SS**  trans-84.2136.2166.5174.30000109.7
292G26.7Very low29.9Very low74 Ų74141 Ų14176%0.76379%0.791SS**  trans170.4135.1166.700000115.6
293N28.3Very low29.6Very low164 Ų164143 Ų14388%0.87779%0.79SS**  trans-132.1159.5171.2-138.8-40.1000108.6
294R24.1Very low30.2Very low233 Ų233143.9 Ų143.988%0.87979%0.788SS**  trans75.6120.6177.8-64.4-176.1162.7-159.6-3.1120.7
295R26.8Very low30.7Very low238 Ų238143.6 Ų143.690%0.89879%0.787SS**  19.5119.1123.9-69.4177167.4-113.42.4119.7
296L27.6Very low30.9Very low150 Ų150139.4 Ų139.479%0.78579%0.786SS**  -163.1142.3127.4-124.449.4000106.4
297Q26.7Very low30.6Very low146 Ų146139.5 Ų139.568%0.68279%0.79SS**  cis68.1126.245.9162.8176.362.700112.7
298E25.6Very low30.6Very low135 Ų135139 Ų13963%0.63180%0.8SS**  cis-164145.4-9.3-107.7-177.885.500111.1
299N31.1Very low30Very low138 Ų138137 Ų13774%0.73880%0.801SS**  trans56.6-171.6148.8-83.3-53.7000118.5
300P44.3Very low31Very low116 Ų116136.9 Ų136.975%0.75380%0.797SS**  cis-131.9162.6-34.825.9-5.9000116.2
301G34.6Very low31.2Very low82 Ų82136.5 Ų136.585%0.84579%0.794SS**  trans77.3171.9148.600000118.3
302A32.3Very low31.1Very low85 Ų85139 Ų13970%0.70279%0.787SS**  cis-153.7168.8-400000109.4
303W27.4Very low31.1Very low222 Ų222142.4 Ų142.484%0.84179%0.787SS**  -168141.961.2-90.4-34.5000114.3
304K37.2Very low31.1Very low157 Ų157141.5 Ų141.568%0.68378%0.781SS**  trans66150.3137.8-67-175.4-162.7-58.70120.4
305R37.3Very low31.2Very low210 Ų210136.2 Ų136.279%0.79278%0.775SS**  cis-168.4129.2-14.2171.4-150.5-66.5-95.413.7111.1
306G31.2Very low32.4Very low71 Ų71130 Ų13073%0.73277%0.765SS**  trans85.5158.7155.800000117.1
307S33.7Very low32.9Very low128 Ų128128.6 Ų128.690%0.89577%0.766SS**  cis-169.6128.5-10.747.90000113.5
308G28.8Very low33.8Very low83 Ų83126.5 Ų126.586%0.85677%0.765SS**  trans103.170.7143.600000122.3
309G24.9Very low33.7Very low79 Ų79128.7 Ų128.781%0.81478%0.775SS**  trans58.8-171.2150.900000119.3
310P47.9Very low34.4Very low127 Ų127127.2 Ų127.283%0.82577%0.772SS**  cis-113.9178-1740.6-29000112.8
311G29.6Very low33.5Very low68 Ų68128.8 Ų128.870%0.70178%0.775SS**  trans151.393.1168.700000116.9
312Y28.1Very low33.5Very low212 Ų212133.2 Ų133.283%0.83178%0.778SS**  trans-46.9131.5174.2-40.5-82.3000113
313L26.8Very low33.4Very low147 Ų147132.5 Ų132.577%0.7778%0.779SS**  94.3127.450.3-84.8175.1000115.1
314L28.3Very low33.4Very low144 Ų144126.9 Ų126.975%0.75478%0.78SS**  trans77.9104.3151.6-62.1166.8000122.3
315T24.7Very low32.8Very low122 Ų122123.4 Ų123.475%0.74879%0.788SS**  48.4179113.1-9.70000121.5
316P53.5Low32.3Very low107 Ų107116.5 Ų116.570%0.69578%0.782SS**  -109.3-174.3-121.644.6-27.7000113.8
317P37.5Very low32.1Very low122 Ų122120.6 Ų120.679%0.79279%0.787SS**  -149.9-177.789.238-18.1000114.9
318P46.1Very low31.8Very low101 Ų101122 Ų12266%0.65678%0.783SS**  trans-113.3163.5-177.740.8-32.3000115.8
319H22.9Very low31.7Very low182 Ų182122.4 Ų122.484%0.84377%0.773SS**  trans64.8165166.8-62.3-66.5000117.3
320P45.8Very low31.9Very low106 Ų106124.9 Ų124.969%0.68877%0.772SS**  cis-131.9-147.5-31.831.2-8.4000111.6
321D26Very low31Very low150 Ų150128.2 Ų128.280%0.80277%0.774SS**  trans98.6153145.6-78.2-29.4000123.6
322L34.5Very low30.9Very low174 Ų174132 Ų13291%0.91178%0.775SS**  trans-98.5141.4-173.5-70132.7000112.1
323G30.2Very low30.9Very low70 Ų70128.1 Ų128.172%0.72276%0.764SS**  trans-166.8113.616500000108.3
324A26.7Very low30.9Very low105 Ų105127.1 Ų127.187%0.86876%0.76SS**  cis73.996.726.100000113.9
325G25.5Very low30.9Very low83 Ų83124.9 Ų124.986%0.85676%0.756SS**  trans81.1148.5-175.600000113.1
326G25.8Very low31Very low65 Ų65128.8 Ų128.867%0.6776%0.757SS**  cis-159142.4-6.500000109.1
327L26.8Very low29.6Very low158 Ų158129.8 Ų129.883%0.82776%0.761SS**  75.9120.886.6-76.9176.5000114.6
328L27.9Very low29.1Very low156 Ų156130.5 Ų130.582%0.81775%0.754SS**  trans73.6146.8156.7-50.9159.1000116.6
329S26.3Very low28.1Very low93 Ų93130.6 Ų130.665%0.6576%0.757SS**  cis-164.7145.1-18.1-107.20000113
330V28.8Very low28.7Very low131 Ų131127.6 Ų127.679%0.79475%0.754SS**  trans36.2106.2142.9-170.20000119.9
331K30.4Very low28.6Very low197 Ų197128.4 Ų128.486%0.85776%0.759SS**  trans-163.8135.4147.1-117.9172.8174.9173.40107.8
332M25.8Very low28.6Very low147 Ų147124.3 Ų124.372%0.72475%0.752SS**  cis65.8131.634.5-132.5177.9178.300111.2
333E28.3Very low28.9Very low130 Ų130122.2 Ų122.261%0.60775%0.749SS**  cis-150.1154.820.4-179.170.9141.700112
334N27.5Very low28.8Very low126 Ų126123.6 Ų123.667%0.67475%0.754SS**  trans-41.6171.6173.7-34.4-47.6000118.5
335S28.5Very low28.6Very low97 Ų97123.6 Ų123.668%0.67875%0.747SS**  172.4157.412950.60000110.7
336W26.8Very low28.7Very low205 Ų205125.3 Ų125.378%0.77775%0.745SS**SBendcis-121.8160.17.5-74.472.5000109.4
337V24.7Very low29.1Very low128 Ų128130.4 Ų130.478%0.77675%0.751SS**SBendcis-147.1120.949.1170.50000112.4
338Q26.7Very low29.4Very low137 Ų137128.6 Ų128.664%0.6475%0.749SS**  trans64.3116.2151.7-56.3-73.222.400122.3
339S24.1Very low29.4Very low103 Ų103124.8 Ų124.872%0.7275%0.747SS**  trans84.2122.2134.7-580000122.9
340P36.8Very low29.4Very low119 Ų119132 Ų13277%0.77376%0.76SS**  trans-91.8-167.4158.341.1-35.4000110.9
341P42.6Very low29.6Very low123 Ų123133.9 Ų133.980%0.79976%0.76SS**  cis-110.6-168-10.737.8-20.1000111.3
342G25.6Very low29.5Very low64 Ų64130.1 Ų130.166%0.6676%0.756SS**  cis82.6152.323.900000112.9
343P41.6Very low29.7Very low129 Ų129130.3 Ų130.384%0.83876%0.759SS**  cis-134.5168.3-17.642-26.5000115
344A26.9Very low29.6Very low100 Ų100130 Ų13083%0.82677%0.771SS**  trans-169.3121.215500000108.4
345S24.1Very low29.9Very low105 Ų105130 Ų13073%0.73478%0.778SS**  cis73.777.113-177.80000116.9
346C25.9Very low29.7Very low119 Ų119130.9 Ų130.980%0.80478%0.784SS**  trans-173.5132.3135.4-96.50000106.9
347Q34.6Very low29.7Very low171 Ų171125.5 Ų125.580%0.79978%0.784SS**  cis64.6142.647.9-61.4-71.8-1.900113.3
348P34.5Very low29.8Very low121 Ų121126.4 Ų126.479%0.78679%0.79SS**  cis-124.1173.2-0.841-26.7000114.5
349G26.6Very low29.9Very low75 Ų75123.1 Ų123.177%0.77379%0.793SS**  trans-173.886.617300000113.2
350R26.6Very low30.2Very low244 Ų244124.6 Ų124.692%0.92179%0.792SS**  trans-64.2147.3-166.3-71.4176.6170.6-90.5-0.4114.9
351Q32.6Very low29.9Very low172 Ų172123.7 Ų123.780%0.80479%0.785SS**  trans-53.8164162.7-59170.3-36.700112.1
352P28Very low29.2Very low117 Ų117128.3 Ų128.376%0.7679%0.786SS**  -135.5140.3100.833.7-21.8000115.9
353L30.5Very low29.3Very low152 Ų152128.7 Ų128.780%0.79679%0.79SS**  trans9.3136.4135-55.6167000118.5
354S26.7Very low28.6Very low122 Ų122129.6 Ų129.685%0.85379%0.793SS**  trans-150.5155.2150.1-81.40000111.3
355P33.6Very low29Very low128 Ų128130.4 Ų130.483%0.83179%0.79SS**  trans-123178.8-146.341.9-29000115.6
356S23.7Very low29.1Very low114 Ų114134.3 Ų134.380%0.79780%0.797SS**  trans-73.9145.3171.8-51.10000113.6
357A27.6Very low29.5Very low93 Ų93134 Ų13477%0.76979%0.793SS**  trans54.1132.2142.400000122.7
358T26.7Very low29.1Very low147 Ų147131.4 Ų131.490%0.90279%0.794SS**  trans-155.4145.2130.7-71.10000108.2
359G28.4Very low28.7Very low68 Ų68137.3 Ų137.370%0.70180%0.8SS**  trans-84.3-166.9-178.200000114.5
360D30.8Very low28.8Very low134 Ų134136.8 Ų136.872%0.71780%0.796SS**  cis-127.8-150.83.8-158.821.6000108.6
361T29.4Very low29.4Very low99 Ų99131 Ų13161%0.60779%0.79SS**  cis-154.1142.518.3-31.80000113
362R29Very low29.2Very low220 Ų220131.1 Ų131.183%0.8379%0.79SS**  trans10.6124.4153.2-69.4170.7-88.2-134.8-10.4118.7
363G26.4Very low29.2Very low73 Ų73130.6 Ų130.675%0.75380%0.796SS**  trans-158.1-10.3177.300000123.2
364V28.6Very low29.3Very low148 Ų148132.2 Ų132.290%0.89780%0.799SS**  trans69.2145.5-179.7-1760000114.8
365P34.7Very low29.3Very low116 Ų116131.2 Ų131.275%0.75380%0.798SS**  trans-109.2161.1-167.140.2-33.1000115.8
366Q27.1Very low28.9Very low188 Ų188129.6 Ų129.688%0.87980%0.796SS**  trans-132.6119.5159.4-173.5175.6-2.300109.6
367P33.1Very low29.3Very low111 Ų111130.5 Ų130.572%0.72180%0.802SS**PPolyproline II helixtrans-91.6118.3-174.232.7-32.4000113.2
368S26.1Very low29.3Very low117 Ų117130.5 Ų130.582%0.81880%0.802SS**PPolyproline II helixtrans-88.8133.1162.154.70000110.8
369W27Very low30Very low245 Ų245129.7 Ų129.793%0.92880%0.803SS**PPolyproline II helixtrans-97.4131.5165.4-75.990.4000110.1
370G27.4Very low30.5Very low65 Ų65131 Ų13167%0.6780%0.801SS**  trans-98.9-147.9157.600000110
371P39.5Very low31.2Very low123 Ų123127.1 Ų127.180%0.79978%0.784SS**  cis-128.4175.6-641.1-26.7000113.8
372E28.8Very low32.2Very low173 Ų173127.9 Ų127.981%0.80879%0.791SS**  trans-56.7149.1170.4-82.177.3175.900114.7
373A27.7Very low33.1Very low107 Ų107123.6 Ų123.688%0.88478%0.784SS**  trans-118.9134.7145.300000108
374Q32.3Very low34.7Very low185 Ų185125.6 Ų125.686%0.86477%0.773SS**  trans-121.9155.2-166.2-171.3177.5-0.400112
375A26.4Very low36Very low101 Ų101121.3 Ų121.384%0.83575%0.754SS**  trans76.3153.7-178.600000115
376A25.2Very low37Very low94 Ų94120.4 Ų120.478%0.77774%0.742SS**  cis-135.3158.55.600000112.6A378A376-A378 PolarHBondContact O-N 2.93Å
377S32.1Very low38.7Very low134 Ų134116.3 Ų116.394%0.93772%0.723SS**  trans-75118.9169.1-58.10000110.5
378A28.5Very low40Very low93 Ų93114.2 Ų114.277%0.76972%0.715SS**  trans-141.4135.2165.100000108.8A376 S380A376-A378 PolarHBondContact O-N 2.93Å; A378-S380 PolarHBondContact O-N 2.95Å
379S42.5Very low41.2Very low130 Ų130113 Ų11391%0.90971%0.705SS**  trans-81.2112.2-179.1530000111.2
380S38.5Very low42.4Very low95 Ų95106.7 Ų106.766%0.66469%0.689SS**  trans-112.6148.9160.155.80000109.7A378A378-S380 PolarHBondContact O-N 2.95Å
381S45.1Very low43.6Very low53 Ų53111.1 Ų111.137%0.37169%0.69SS.*  trans-84.7153.3-175.376.60000112L383 E384S381-L383 PolarHBondContact O-N 2.98Å; S381-L383 VanDerWaalsContact O-N 3.12Å; S381-E384 WeakPolarHBondContact O-CB 3.21Å; S381-E384 PolarHBondContact O-N 3.2Å; S381-E384 PolarHBondContact OG-N 2.96Å
382P49.4Very low43.7Very low114 Ų114108 Ų10874%0.7468%0.68SS**Hα-helixtrans-58.2-24.8174.1-25.535.1000113.9L386P382-L386 PolarHBondContact O-N 2.93Å
383L48.8Very low44.3Very low130 Ų130105.4 Ų105.468%0.68167%0.671SS**Hα-helixtrans-71.6-30.7176.5-65.4173000112.5S381 L386 E387S381-L383 PolarHBondContact O-N 2.98Å; S381-L383 VanDerWaalsContact O-N 3.12Å; L383-L386 CarbonylContact O-C 3.59Å; L383-L386 WeakPolarHBondContact O-CB 3.47Å; L383-L386 PolarHBondContact O-N 2.87Å; L383-E387 PolarHBondContact O-N 2.91Å
384E60.1Low44.9Very low115 Ų115104.4 Ų104.454%0.53766%0.655SS.*Hα-helixtrans-77.5-35.1-175.3-154.1165.3-178.800111.3S381 L386 E387 A388S381-E384 WeakPolarHBondContact O-CB 3.21Å; S381-E384 PolarHBondContact O-N 3.2Å; S381-E384 PolarHBondContact OG-N 2.96Å; E384-L386 VanDerWaalsContact C-N 3.33Å; E384-E387 PolarHBondContact O-N 3.35Å; E384-A388 WeakPolarHBondContact O-CB 3.45Å; E384-A388 PolarHBondContact O-N 3.23Å
385A55.7Low45.3Very low58 Ų58102 Ų10248%0.47966%0.655SS.*Hα-helixtrans-63.6-38.8165.400000111.9A388 C389A385-A388 PolarHBondContact O-N 3.37Å; A385-C389 PolarHBondContact O-N 2.88Å; A385-C389 PolarHBondContact O-SG 3.23Å; A385-C389 VanDerWaalsContact O-SG 3.35Å
386L55.3Low45.6Very low97 Ų97104.6 Ų104.651%0.50866%0.655SS.*Hα-helixtrans-65.7-41.6175-108.5165.7000112.3P382 L383 E384 C389 L390P382-L386 PolarHBondContact O-N 2.93Å; L383-L386 CarbonylContact O-C 3.59Å; L383-L386 WeakPolarHBondContact O-CB 3.47Å; L383-L386 PolarHBondContact O-N 2.87Å; E384-L386 VanDerWaalsContact C-N 3.33Å; L386-C389 PolarHBondContact O-N 3.4Å; L386-L390 HydrophobicContact CD2-CD1 4.47Å; L386-L390 WeakPolarHBondContact O-CB 3.48Å; L386-L390 VanDerWaalsContact O-CG 3.32Å; L386-L390 WeakPolarHBondContact O-CG 3.44Å; L386-L390 PolarHBondContact O-N 3.44Å
387E63.3Low45.9Very low102 Ų102103.1 Ų103.148%0.47765%0.649SS.*Hα-helixtrans-64.5-40.4175.7-164.8-172.9139.100111.4L383 E384 L390 K391L383-E387 PolarHBondContact O-N 2.91Å; E384-E387 PolarHBondContact O-N 3.35Å; E387-L390 PolarHBondContact O-N 3.05Å; E387-K391 HydrophobicContact CG-CD 4.32Å; E387-K391 WeakPolarHBondContact O-CB 3.38Å; E387-K391 WeakPolarHBondContact O-CG 3.45Å; E387-K391 PolarHBondContact O-N 2.87Å; E387-K391 VanDerWaalsContact OE1-CE 3.26Å; E387-K391 WeakPolarHBondContact OE1-CE 3.44Å; E387-K391 IonicContact OE1-NZ 3.79Å; E387-K391 PolarHBondContact OE1-NZ 3.47Å
388A61.6Low45.8Very low67 Ų67102.6 Ų102.655%0.55465%0.646SS**Hα-helixtrans-61.7-43172.800000112.2E384 A385 G392E384-A388 WeakPolarHBondContact O-CB 3.45Å; E384-A388 PolarHBondContact O-N 3.23Å; A385-A388 PolarHBondContact O-N 3.37Å; A388-G392 PolarHBondContact O-N 2.95Å
389C49.7Very low45.9Very low91 Ų91104 Ų10462%0.61565%0.65SS**Hα-helixtrans-64.5-38.8174.7-720000112.9A385 L386 G392A385-C389 PolarHBondContact O-N 2.88Å; A385-C389 PolarHBondContact O-SG 3.23Å; A385-C389 VanDerWaalsContact O-SG 3.35Å; L386-C389 PolarHBondContact O-N 3.4Å; C389-G392 PolarHBondContact O-N 2.9Å
390L52.5Low46Very low113 Ų113103.7 Ų103.759%0.59265%0.645SS**Hα-helixtrans-74-34.2179.9-71.4168.3000112.7L386 E387 G392 I393L386-L390 HydrophobicContact CD2-CD1 4.47Å; L386-L390 WeakPolarHBondContact O-CB 3.48Å; L386-L390 VanDerWaalsContact O-CG 3.32Å; L386-L390 WeakPolarHBondContact O-CG 3.44Å; L386-L390 PolarHBondContact O-N 3.44Å; E387-L390 PolarHBondContact O-N 3.05Å; L390-G392 PolarHBondContact O-N 3.29Å; L390-I393 HydrophobicContact CD2-CD1 4.21Å; L390-I393 PolarHBondContact O-N 2.97Å
391K52.7Low45.5Very low159 Ų159104.6 Ų104.669%0.69165%0.651SS**Hα-helixtrans-65.8-16.2170.9-80171.7169.3168.40113.7E387 I393E387-K391 HydrophobicContact CG-CD 4.32Å; E387-K391 WeakPolarHBondContact O-CB 3.38Å; E387-K391 WeakPolarHBondContact O-CG 3.45Å; E387-K391 PolarHBondContact O-N 2.87Å; E387-K391 VanDerWaalsContact OE1-CE 3.26Å; E387-K391 WeakPolarHBondContact OE1-CE 3.44Å; E387-K391 IonicContact OE1-NZ 3.79Å; E387-K391 PolarHBondContact OE1-NZ 3.47Å; K391-I393 VanDerWaalsContact C-N 3.33Å
392G41.1Very low44.6Very low58 Ų58110.2 Ų110.260%0.59867%0.672SS**THydrogen-bonded Turntrans-80.7-2.4176.900000115.6A388 C389 L390 P394A388-G392 PolarHBondContact O-N 2.95Å; C389-G392 PolarHBondContact O-N 2.9Å; L390-G392 PolarHBondContact O-N 3.29Å; G392-P394 WeakPolarHBondContact O-CD 3.24Å
393I41.5Very low43.6Very low118 Ų118111.8 Ų111.861%0.60567%0.673SS**  trans-96.6110-175.7-53.3177.2000110.2L390 K391L390-I393 HydrophobicContact CD2-CD1 4.21Å; L390-I393 PolarHBondContact O-N 2.97Å; K391-I393 VanDerWaalsContact C-N 3.33Å
394P40.5Very low43Very low86 Ų86111 Ų11156%0.55868%0.676SS**  trans-72137.6173.929.5-33.8000110.9G392 N396G392-P394 WeakPolarHBondContact O-CD 3.24Å; P394-N396 PolarHBondContact O-N 2.98Å
395P40.7Very low42.2Very low133 Ų133110.7 Ų110.786%0.86468%0.683SS**  trans-73.492.9172.330.1-33.2000109.7G397P395-G397 PolarHBondContact O-N 2.98Å
396N32.8Very low40.5Very low157 Ų157114.8 Ų114.884%0.8470%0.703SS**  trans-67.999.9-176.8-94-12.4000112.6P394P394-N396 PolarHBondContact O-N 2.98Å
397G31.1Very low39Very low63 Ų63115 Ų11565%0.64971%0.712SS**  trans-99.9124.6157.700000111.1P395P395-G397 PolarHBondContact O-N 2.98Å
398S30.8Very low37.2Very low123 Ų123115.8 Ų115.886%0.8673%0.728SS**  trans56.8114.9157.2-560000120.3
399S31.2Very low35.6Very low122 Ų122117 Ų11785%0.85373%0.732SS**  trans-72.8161.4164.9-36.90000113.3
400P43Very low34.5Very low124 Ų124121 Ų12181%0.80574%0.742SS**  trans-130.6137.2147.135.7-23.8000115.8
401S28.8Very low33.2Very low114 Ų114121.4 Ų121.480%0.79775%0.745SS**  trans2.5121.1157.2-52.70000123.8
402Q27.3Very low32.5Very low171 Ų171119.7 Ų119.780%0.79975%0.75SS**  48.4119.5119.9-67.2-171.65.800123.6
403L27.9Very low31.8Very low147 Ų147124.3 Ų124.377%0.7776%0.756SS**  72.8162.4125.3-64.9177.1000120.9
404P35.6Very low31.7Very low114 Ų114124.6 Ų124.674%0.7477%0.765SS**  cis-128.2-125.3-21.829.2-3.6000114.1
405P42.3Very low31Very low107 Ų107123.7 Ų123.770%0.69577%0.771SS**  -133.9177.8-121.443-22.7000117.7
406T22Very low30.3Very low144 Ų144124.6 Ų124.688%0.88377%0.769SS**  trans155.5167.314338.50000110.5
407S23.7Very low30.2Very low101 Ų101121.5 Ų121.571%0.70676%0.76SS**  cis-177.8162.8-39.2-171.90000109.4
408C25Very low30Very low120 Ų120129.2 Ų129.281%0.81177%0.769SS**  trans67.4155.4178.5-72.50000115.7
409S28.2Very low29.9Very low92 Ų92127.5 Ų127.564%0.64376%0.757SS**  cis-156.7-171.6-16.456.10000107.8
410Q26.2Very low29.7Very low176 Ų176129.8 Ų129.882%0.82275%0.754SS**  cis-148.6-138.411.4-161.3120.8-31.200110.8
411N25.9Very low29Very low121 Ų121130.9 Ų130.965%0.64775%0.746SS**  trans-157.9157.5-177.2-157.9-7.7000109
412P36.1Very low29.7Very low123 Ų123130.7 Ų130.780%0.79974%0.743SS**  -148165.492.638.2-20.2000118.1
413Q28Very low29.6Very low155 Ų155128.3 Ų128.372%0.72473%0.731SS**  trans-57.9170.3166.4-77.1-74-61.100114.2
414P37.8Very low29.6Very low123 Ų123128.9 Ų128.980%0.79974%0.735SS**  cis-154.5-169.540.744.4-22.4000118.9
415G26.3Very low29.1Very low67 Ų67131.7 Ų131.769%0.69174%0.738SS**  trans143.577.1146.100000122.3
416D27Very low28.9Very low153 Ų153131 Ų13182%0.81873%0.733SS**  trans35.2119.4143.6-87.4-69.8000127.7
417S30.2Very low29.2Very low92 Ų92132.2 Ų132.264%0.64373%0.729SS**  69119.6113.4-67.40000126.9
418R26.5Very low29.2Very low225 Ų225137.4 Ų137.485%0.84973%0.733SS**  trans78.2129.2131-79.9-170.9176.3-130.7-0.7123.8
419S29.4Very low29.3Very low87 Ų87136.5 Ų136.561%0.60873%0.728SS**  trans71.5148.8135.4-68.70000119.8
420Q26Very low29.3Very low169 Ų169139.4 Ų139.479%0.7973%0.731SS**  cis-159.5153.4-17.1-126177.486.900111.7
421K28.3Very low29.3Very low147 Ų147135.4 Ų135.464%0.63972%0.722SS**  trans-23.5147.9142.1170.6179.5-172.4-174.10114.3E423K421-E423 WeakPolarHBondContact CE-OE1 3.3Å; K421-E423 WeakPolarHBondContact CE-OE2 3.4Å; K421-E423 IonicContact NZ-OE1 3.22Å; K421-E423 PolarHBondContact NZ-OE1 3Å; K421-E423 IonicContact NZ-OE2 2.59Å
422P43.6Very low29.5Very low111 Ų111137 Ų13772%0.72173%0.726SS**  cis-142.5-157.635.548-28.9000114.2
423E26.2Very low29Very low120 Ų120139.6 Ų139.656%0.56173%0.727SS**  cis-152163.8-37.9-13475.2130.300110.1K421K421-E423 WeakPolarHBondContact CE-OE1 3.3Å; K421-E423 WeakPolarHBondContact CE-OE2 3.4Å; K421-E423 IonicContact NZ-OE1 3.22Å; K421-E423 PolarHBondContact NZ-OE1 3Å; K421-E423 IonicContact NZ-OE2 2.59Å
424L27.8Very low29Very low160 Ų160136.2 Ų136.284%0.83873%0.726SS**  trans56.9147.5146.2-75.1169.2000125.6
425Q25.5Very low28.6Very low173 Ų173135.9 Ų135.981%0.80872%0.721SS**  trans-68.6-175.3162.1-55.9-178.4-14.400111.9
426P38Very low28.8Very low91 Ų91143.8 Ų143.859%0.59173%0.731SS**  cis-143.3-173.19.428.7-1.5000117.1
427H28.4Very low28.7Very low171 Ų171144.6 Ų144.679%0.79273%0.729SS**  trans141.1111.9133.4-73.3-63.8000117.8
428R23.8Very low29Very low209 Ų209146.2 Ų146.279%0.78974%0.738SS**  29.8102.9127.1-173.6-179.5-77.9179.9-4.3120.6
429S25.6Very low29Very low101 Ų101140.9 Ų140.971%0.70673%0.73SS**  66.2169.1126-50.30000122.2
430H28.2Very low29.4Very low153 Ų153143.5 Ų143.571%0.70874%0.736SS**  trans51.1113.3153.369.50.3000118.8
431S28Very low29.9Very low92 Ų92141.5 Ų141.564%0.64374%0.738SS**  83.6170.997.384.20000112
432E29.5Very low30Very low154 Ų154142.4 Ų142.472%0.7275%0.749SS**  cis-143.3133.3-2-137.6131.378.700105.3
433E26.2Very low29.3Very low179 Ų179140.1 Ų140.184%0.83675%0.746SS**  76.8155.7102.9-164.4171.7134.600116.1
434A26.9Very low29.6Very low83 Ų83142.1 Ų142.169%0.68676%0.759SS**  trans70.8151166.200000116.5
435T29.5Very low29.8Very low116 Ų116142.1 Ų142.171%0.71276%0.755SS**  cis-149.2149.90.8-26.40000109.5
436R31.3Very low29.8Very low234 Ų234138.8 Ų138.888%0.88375%0.751SS**  trans145.3107.1138.6-78150.2-163173.86114.2
437E24.6Very low29.3Very low169 Ų169139.8 Ų139.879%0.7976%0.758SS**  trans-50.6163.5141.8-91.9-169.512800112.2
438P35.7Very low29.3Very low126 Ų126137.8 Ų137.882%0.81876%0.758SS**  cis-145.8-166.342.542.6-21000118
439V27.3Very low29.6Very low114 Ų114138 Ų13869%0.69176%0.759SS**  trans-75.1152.8-167.3172.20000115.6
440L37.8Very low29.6Very low142 Ų142139.1 Ų139.174%0.74376%0.757SS**  trans-5153.1160.9-58.2169.8000120.8
441P35.7Very low29.5Very low127 Ų127134.7 Ų134.783%0.82575%0.752SS**  -129.2168.3122.538.7-32.5000115.5
442L30.8Very low30.2Very low166 Ų166136.4 Ų136.487%0.86976%0.762SS**  trans-93.5155.1177.1-9960.7000113.2
443G28.7Very low30.2Very low63 Ų63135.3 Ų135.365%0.64977%0.771SS**  trans176.3114.9162.100000111
444L33.5Very low30.2Very low161 Ų161138 Ų13884%0.84377%0.774SS**  74.9131.669.6-69.9176.7000112.9
445Q30.2Very low30.9Very low160 Ų160138.7 Ų138.775%0.74877%0.771SS**  cis-165.1158.55.2-160.6175.359.200113.1
446S26.2Very low30.8Very low103 Ų103141.4 Ų141.472%0.7278%0.78SS**  trans68.8153.8160.178.40000118.1
447C27.3Very low30.5Very low112 Ų112134.3 Ų134.376%0.75777%0.771SS**  cis-129.8143.2-0.1-74.40000108.4
448V29.1Very low31.1Very low129 Ų129132.1 Ų132.178%0.78277%0.772SS**  79.3126.156.81750000114.7
449R28.9Very low30.7Very low213 Ų213137.9 Ų137.980%0.80478%0.777SS**  trans70146.3176-69.4-94.5-167.1167.64.1115.7
450D26.8Very low30.7Very low126 Ų126135.9 Ų135.967%0.67478%0.78SS**  cis-149.4171.4-7.4-140.5-19.5000111.6
451G25.7Very low30.4Very low59 Ų59136 Ų13661%0.60879%0.786SS**  trans-105.4-146.617000000113.1
452P43.6Very low30.3Very low129 Ų129135 Ų13584%0.83878%0.78SS**  -135.6162.7-5838.9-27.5000112.8
453S28.1Very low30Very low131 Ų131132.7 Ų132.792%0.91677%0.773SS**  trans-154.4148.9156.959.40000113.9
454R26.3Very low29.9Very low236 Ų236133.9 Ų133.989%0.89177%0.771SS**  trans-142.8175.2-171.4-170.8-163.7165.8-169.5-2.7106.5
455P41.1Very low29.4Very low96 Ų96136 Ų13662%0.62377%0.774SS**  -103.8-170.3-68.437.7-24.5000111.3
456L27.3Very low29.3Very low174 Ų174133.6 Ų133.691%0.91178%0.775SS**  -156160123.6-108.2154.8000111.5
457A26.6Very low29.3Very low84 Ų84133.6 Ų133.669%0.69478%0.775SS**  trans-99.6-176.2178.600000109
458P36.1Very low29.1Very low123 Ų123134.1 Ų134.180%0.79978%0.78SS**  cis-144.3-170.325.342.6-21000117.1
459R28.4Very low29Very low248 Ų248132.5 Ų132.594%0.93677%0.774SS**  trans-53.1147.6159.9-75.1168.5148.6-111.21.6112
460G26.6Very low29Very low72 Ų72128.3 Ų128.374%0.74278%0.777SS**  trans159.994.515400000116
461T30.9Very low29.3Very low143 Ų143126.5 Ų126.588%0.87777%0.771SS**  trans-63.7141.8145.124.80000108
462P35Very low29.7Very low108 Ų108130.8 Ų130.870%0.70178%0.78SS**  -154.9-174.27539.5-17.6000116.9
463T23.2Very low29.1Very low116 Ų116134.5 Ų134.571%0.71278%0.778SS**  trans53.7109149.749.30000121.8
464S26Very low29.3Very low89 Ų89134.2 Ų134.262%0.62277%0.766SS**  73148.1111.9-49.30000123
465F24.5Very low30Very low206 Ų206130.4 Ų130.490%0.90476%0.762SS**  trans82.1133.2158.2-60.1-62.2000120.2
466S28.5Very low30Very low108 Ų108131.7 Ų131.776%0.75576%0.764SS**  trans-62.2158.4176.2-30.90000113.6
467S25.3Very low30.2Very low104 Ų104132.9 Ų132.973%0.72776%0.762SS**  176.6145.8104.6-730000112.9
468S23.8Very low30.3Very low123 Ų123132.4 Ų132.486%0.8677%0.766SS**  trans62.9158.3158.4-49.50000117
469S26.2Very low30.2Very low95 Ų95132.3 Ų132.366%0.66477%0.767SS**  cis-152.5159.38.5-164.60000110.8
470S28.9Very low31Very low124 Ų124126.1 Ų126.187%0.86776%0.759SS**  trans-155.487.6148.6-169.70000109.2
471T33.9Very low31.3Very low89 Ų89129.6 Ų129.655%0.54677%0.766SS.*  trans-78154171.845.40000111.4
472D33.8Very low31.1Very low148 Ų148126.3 Ų126.379%0.79176%0.76SS**  trans-139.8162.4138.5-144.4-17.7000109.6
473W31.3Very low31.1Very low208 Ų208128.7 Ų128.779%0.78877%0.767SS**  trans-88.7-175.2-164.7-44.293.4000111.2
474D31.3Very low31.5Very low125 Ų125132.7 Ų132.767%0.66878%0.778SS**  cis-159.9149.918.5-162.917.5000106.7
475L40.4Very low31.8Very low156 Ų156131.9 Ų131.982%0.81778%0.784SS**  -173.6143.781.4-87.4164.2000111.4
476D41.3Very low32.1Very low122 Ų122131.2 Ų131.265%0.65278%0.783SS**  trans-74.3176.8169-74.5-54.9000112.8
477F31.7Very low32.5Very low199 Ų199134.8 Ų134.887%0.87379%0.788SS**  cis-147.2162.518.5-79.4-84.5000112
478G28.7Very low33.4Very low75 Ų75135.7 Ų135.777%0.77379%0.791SS**  trans127.784.8142.900000118.2
479S34.3Very low33.8Very low120 Ų120133.2 Ų133.284%0.83979%0.785SS**  trans-93.9149.5151.4-75.80000109.9
480P46.2Very low34.2Very low118 Ų118139 Ų13977%0.76680%0.798SS**  -145.5147.9104.837.8-23.7000116.4
481V31.4Very low34.3Very low145 Ų145136.8 Ų136.888%0.87979%0.794SS**  trans31.9122.5134.3-173.40000119.2
482G28.4Very low34.1Very low74 Ų74137.9 Ų137.976%0.76381%0.806SS**  trans-175.4107.2159.100000115.3
483N34.9Very low34.5Very low158 Ų158136.7 Ų136.785%0.84581%0.806SS**  trans-86.9127.6166.6-74.3-68.7000110.5
484Q30.4Very low35Very low200 Ų200133.1 Ų133.194%0.93581%0.81SS**  174.7149.8123.6-96.1177.6108.300110.1
485G33.4Very low35.5Very low72 Ų72130.4 Ų130.474%0.74281%0.811SS**  trans-107.4159.4-175.100000114.1
486Q29.8Very low35.8Very low192 Ų192128.7 Ų128.790%0.89781%0.813SS**  trans-142.9140.8151.7-75.3-158.5-6.300110.7
487H37.3Very low35.6Very low183 Ų183126.8 Ų126.885%0.84781%0.808SS**  trans-97.5158146.8-60.7-80000106.9
488P44.1Very low36.2Very low124 Ų124122.9 Ų122.981%0.80580%0.803SS**  cis-138.616717.441.2-24.1000117.1
489G32.1Very low37Very low70 Ų70124.8 Ų124.872%0.72280%0.795SS**  trans87101.613100000119.8
490K34.4Very low37.9Very low218 Ų218123.1 Ų123.195%0.94877%0.774SS**  -157.5153.1128.2-105.9153.6-173.5176.20109.7
491G30.4Very low38.6Very low76 Ų76119.5 Ų119.578%0.78476%0.758SS**PPolyproline II helixtrans-78.1145.1-165.900000114.3
492S30.4Very low39.7Very low112 Ų112117.7 Ų117.778%0.78374%0.743SS**PPolyproline II helixtrans-67.2145.1162.3-49.20000110.3
493P41.6Very low41Very low123 Ų123119 Ų11980%0.79973%0.729SS**PPolyproline II helixtrans-66.9135.3169.928.8-33.5000110.2
494P42.1Very low41.7Very low133 Ų133115.4 Ų115.486%0.86471%0.71SS**PPolyproline II helixtrans-78.6143.3172.332.4-33.3000110.7
495G42Very low42.5Very low68 Ų68110 Ų11070%0.70169%0.693SS**  trans118.161165.400000117.1
496S46.1Very low43.3Very low121 Ų121112.6 Ų112.685%0.84669%0.689SS**  trans-136.232.6162.256.80000112.8
497S38.7Very low44.3Very low81 Ų81110.5 Ų110.557%0.56668%0.677SS**  trans-77134.2169.4-65.90000110.1L499 Q500S497-L499 PolarHBondContact O-N 2.95Å; S497-Q500 WeakPolarHBondContact O-CB 3.44Å; S497-Q500 PolarHBondContact O-N 3.12Å
498P44.5Very low44.8Very low118 Ų118109.8 Ų109.877%0.76667%0.674SS**THydrogen-bonded Turntrans-63.4-15.3-17724.4-34.1000114.2Q500 G501P498-Q500 VanDerWaalsContact C-N 3.26Å; P498-Q500 PolarHBondContact O-N 2.94Å; P498-G501 PolarHBondContact O-N 3.4Å
499L44.4Very low44.8Very low114 Ų114108.9 Ų108.960%0.59766%0.662SS**Hα-helixtrans-62.9-30.2171.8-59.1177.7000112.8S497 G501 L502 E503S497-L499 PolarHBondContact O-N 2.95Å; L499-G501 PolarHBondContact O-N 2.96Å; L499-L502 HydrophobicContact CD2-CD1 4.49Å; L499-L502 PolarHBondContact O-N 3.02Å; L499-L502 VanDerWaalsContact O-N 3.14Å; L499-E503 PolarHBondContact O-N 3.12Å
500Q52.6Low45Very low86 Ų86111 Ų11140%0.40266%0.662SS.*Hα-helixtrans-65.7-27.7-177.1-168.663.788.600112.7S497 P498 E503 N504S497-Q500 WeakPolarHBondContact O-CB 3.44Å; S497-Q500 PolarHBondContact O-N 3.12Å; P498-Q500 VanDerWaalsContact C-N 3.26Å; P498-Q500 PolarHBondContact O-N 2.94Å; Q500-E503 PolarHBondContact NE2-OE2 2.87Å; Q500-N504 PolarHBondContact O-N 2.87Å
501G62.1Low45.3Very low41 Ų41106 Ų10642%0.42365%0.65SS.*Hα-helixtrans-68.7-44.8173.200000112.2P498 L499 E503 N504 C505P498-G501 PolarHBondContact O-N 3.4Å; L499-G501 PolarHBondContact O-N 2.96Å; G501-E503 VanDerWaalsContact C-N 3.33Å; G501-E503 PolarHBondContact O-N 3.45Å; G501-N504 PolarHBondContact O-N 3.35Å; G501-N504 VanDerWaalsContact O-N 3.07Å; G501-C505 PolarHBondContact O-N 3.35Å; G501-C505 PolarHBondContact O-SG 3.33Å
502L54.5Low45.4Very low108 Ų108108 Ų10857%0.56565%0.649SS**Hα-helixtrans-61.7-40.2175.7-72.2165.8000111.9L499 N504 C505 L506L499-L502 HydrophobicContact CD2-CD1 4.49Å; L499-L502 PolarHBondContact O-N 3.02Å; L499-L502 VanDerWaalsContact O-N 3.14Å; L502-N504 PolarHBondContact O-N 3.26Å; L502-C505 PolarHBondContact O-N 2.94Å; L502-L506 WeakPolarHBondContact O-CB 3.35Å; L502-L506 WeakPolarHBondContact O-CG 3.36Å; L502-L506 PolarHBondContact O-N 3.42Å
503E55.5Low45.3Very low101 Ų101108.2 Ų108.247%0.47265%0.645SS.*Hα-helixtrans-65.4-18.2175-70.5-179.9167.700114.2L499 Q500 G501 K507L499-E503 PolarHBondContact O-N 3.12Å; Q500-E503 PolarHBondContact NE2-OE2 2.87Å; G501-E503 VanDerWaalsContact C-N 3.33Å; G501-E503 PolarHBondContact O-N 3.45Å; E503-K507 VanDerWaalsContact O-CD 3.25Å; E503-K507 WeakPolarHBondContact O-CD 3.44Å; E503-K507 VanDerWaalsContact O-CE 3.23Å; E503-K507 WeakPolarHBondContact O-CE 3.43Å; E503-K507 VanDerWaalsContact O-CG 3.28Å; E503-K507 WeakPolarHBondContact O-CG 3.34Å
504N49.2Very low44.8Very low82 Ų82110.2 Ų110.244%0.43965%0.648SS.*Hα-helixtrans-92-43.1172.4-73.9-8.8000111.3Q500 G501 L502 L506 K507 E508Q500-N504 PolarHBondContact O-N 2.87Å; G501-N504 PolarHBondContact O-N 3.35Å; G501-N504 VanDerWaalsContact O-N 3.07Å; L502-N504 PolarHBondContact O-N 3.26Å; N504-L506 PolarHBondContact O-N 3.45Å; N504-K507 WeakPolarHBondContact O-CB 3.46Å; N504-K507 PolarHBondContact O-N 3.01Å; N504-E508 PolarHBondContact O-N 3.47Å
505C47.6Very low44.1Very low86 Ų86114.6 Ų114.658%0.58165%0.648SS**Hα-helixtrans-58.2-33173.4-65.10000112.7G501 L502 K507G501-C505 PolarHBondContact O-N 3.35Å; G501-C505 PolarHBondContact O-SG 3.33Å; L502-C505 PolarHBondContact O-N 2.94Å; C505-K507 VanDerWaalsContact C-N 3.33Å
506L50.1Low43.4Very low127 Ų127116.5 Ų116.567%0.66565%0.648SS**THydrogen-bonded Turntrans-75.2-15.4173.9-72.8169.3000114.3L502 N504 I509L502-L506 WeakPolarHBondContact O-CB 3.35Å; L502-L506 WeakPolarHBondContact O-CG 3.36Å; L502-L506 PolarHBondContact O-N 3.42Å; N504-L506 PolarHBondContact O-N 3.45Å; L506-I509 HydrophobicContact CD2-CD1 4.21Å
507K50.4Low42.5Very low149 Ų149115.5 Ų115.565%0.64865%0.647SS**THydrogen-bonded Turntrans-89.8-21175.2-73.1169.4-168.71560113.3E503 N504 C505 I509E503-K507 VanDerWaalsContact O-CD 3.25Å; E503-K507 WeakPolarHBondContact O-CD 3.44Å; E503-K507 VanDerWaalsContact O-CE 3.23Å; E503-K507 WeakPolarHBondContact O-CE 3.43Å; E503-K507 VanDerWaalsContact O-CG 3.28Å; E503-K507 WeakPolarHBondContact O-CG 3.34Å; N504-K507 WeakPolarHBondContact O-CB 3.46Å; N504-K507 PolarHBondContact O-N 3.01Å; C505-K507 VanDerWaalsContact C-N 3.33Å; K507-I509 VanDerWaalsContact C-N 3.33Å
508E48.5Very low41.8Very low168 Ų168122.7 Ų122.779%0.78566%0.662SS**SBendtrans-88.32.4179.3-66-168.7159.900113.6N504 P510N504-E508 PolarHBondContact O-N 3.47Å; E508-P510 VanDerWaalsContact O-CD 3.25Å; E508-P510 WeakPolarHBondContact O-CD 3.48Å
509I43.3Very low41.1Very low105 Ų105121.8 Ų121.854%0.53866%0.656SS.*SBendtrans-79112.8169.8-54.8176.3000108.9L506 K507 V511L506-I509 HydrophobicContact CD2-CD1 4.21Å; K507-I509 VanDerWaalsContact C-N 3.33Å; I509-V511 PolarHBondContact O-N 2.89Å; I509-V511 VanDerWaalsContact O-N 3.14Å
510P36.8Very low40.2Very low114 Ų114122.2 Ų122.274%0.7467%0.667SS**  trans-73.3108.918029.6-34000110.9E508 P512E508-P510 VanDerWaalsContact O-CD 3.25Å; E508-P510 WeakPolarHBondContact O-CD 3.48Å; P510-P512 WeakPolarHBondContact O-CD 3.25Å
511V40.2Very low38.8Very low114 Ų114124 Ų12469%0.69169%0.689SS**  trans-72.2121.7170.7178.80000109.5I509 V513I509-V511 PolarHBondContact O-N 2.89Å; I509-V511 VanDerWaalsContact O-N 3.14Å; V511-V513 PolarHBondContact O-N 3.32Å
512P32.2Very low37.1Very low118 Ų118127.5 Ų127.577%0.76671%0.707SS**  trans-70.897.2173.428.4-33.2000110.2P510 L514P510-P512 WeakPolarHBondContact O-CD 3.25Å; P512-L514 PolarHBondContact O-N 2.87Å
513V29.5Very low35.7Very low115 Ų115126.9 Ų126.970%0.69772%0.717SS**  trans-71.294.4178.7-178.90000110.5V511 R515V511-V513 PolarHBondContact O-N 3.32Å; V513-R515 HydrophobicContact CG1-CG 4.43Å; V513-R515 PolarHBondContact O-N 2.91Å
514L30.7Very low34.2Very low165 Ų165127.4 Ų127.486%0.86474%0.739SS**  trans-64.2101.4159.6-74.1173.5000108.6P512 P516P512-L514 PolarHBondContact O-N 2.87Å; L514-P516 WeakPolarHBondContact O-CD 3.34Å
515R27.8Very low33.3Very low225 Ų225128.7 Ų128.785%0.84975%0.746SS**  trans-64.3123.4179.3-75-177.7171.1177.8-2.3110.9V513 A517V513-R515 HydrophobicContact CG1-CG 4.43Å; V513-R515 PolarHBondContact O-N 2.91Å; R515-A517 PolarHBondContact O-N 3.38Å; R515-A517 VanDerWaalsContact O-N 3.12Å
516P26.5Very low32.4Very low108 Ų108134.4 Ų134.470%0.70176%0.755SS**  trans-71.5105.2167.1-1430000109.5L514 W518L514-P516 WeakPolarHBondContact O-CD 3.34Å; P516-W518 PolarHBondContact O-N 3.06Å
517A26.5Very low31.4Very low100 Ų100131.7 Ų131.783%0.82676%0.758SS**  trans-73106.1166.700000108.7R515R515-A517 PolarHBondContact O-N 3.38Å; R515-A517 VanDerWaalsContact O-N 3.12Å
518W24.1Very low31Very low232 Ų232130.1 Ų130.188%0.87976%0.763SS**PPolyproline II helixtrans-69.1159.9177-97.967.7000111.9P516P516-W518 PolarHBondContact O-N 3.06Å
519P30.2Very low30.1Very low100 Ų100132.3 Ų132.365%0.64976%0.764SS**PPolyproline II helixtrans-86.4168.2-132.631.9-38000115.7
520C26.2Very low29.4Very low122 Ų122138.3 Ų138.382%0.82478%0.78SS**PPolyproline II helixtrans-57.9140.3177.8-167.80000112.7
521S23.7Very low28.9Very low124 Ų124137 Ų13787%0.86778%0.778SS**  trans-15299.5161.5-78.20000109.8
522S25.1Very low28.6Very low114 Ų114139.6 Ų139.680%0.79778%0.783SS**  trans-123.7121.2157.5-173.40000107.4
523A26.3Very low28.7Very low95 Ų95139.2 Ų139.279%0.78578%0.78SS**  trans-83.2127.4-176.100000110.7D525A523-D525 PolarHBondContact O-N 3.28Å
524A24.3Very low28.6Very low112 Ų112143.8 Ų143.893%0.92679%0.785SS**  trans-84.781.1162.800000109.4
525D29.2Very low28.9Very low109 Ų109141.5 Ų141.558%0.58377%0.774SS**  trans-81.6133.6165.4-169.524.9000109.8A523A523-D525 PolarHBondContact O-N 3.28Å
526R29.5Very low29Very low207 Ų207142.4 Ų142.478%0.78178%0.777SS**  trans57.4116.6171.5-34.8-174-163.6-107.8-26.9118.6
527G28.8Very low29.2Very low69 Ų69142.6 Ų142.671%0.71178%0.777SS**  -96178109.500000110
528P42.4Very low29.4Very low116 Ų116142.6 Ų142.675%0.75378%0.777SS**  cis-133.9169.4-5.839.1-23.3000114.1
529R28.6Very low29.7Very low214 Ų214138 Ų13881%0.80877%0.769SS**  163.4137.4120-93.1-166.8-69.9-132.84113.8
530R28.2Very low29.8Very low231 Ų231140.1 Ų140.187%0.87277%0.768SS**  trans60.7142.8156.5-96.2-169.9-97.5-102.15.5116.9
531A27.9Very low30Very low86 Ų86142 Ų14271%0.71177%0.765SS**  cis-148.9175.5-0.400000111.1
532E33.2Very low30.3Very low170 Ų170139.7 Ų139.779%0.79476%0.761SS**  trans-42.6156.4150.1-99.2-175.195.700112.8
533P34.6Very low30.6Very low109 Ų109140.3 Ų140.371%0.70877%0.765SS**  cis-149.1160.249.741.4-22000119.9
534R27.8Very low31Very low212 Ų212140.1 Ų140.180%0.876%0.763SS**  trans59.8144.7142.7-75.3-176.3172.7-139.5-3.5121.9
535N35.8Very low31.4Very low116 Ų116140.6 Ų140.662%0.6276%0.757SS**  trans-58.1143.5167.359.5-56.7000114.1
536W30.7Very low31.8Very low245 Ų245145 Ų14593%0.92877%0.771SS**  trans-135.8158.9141.5-83.5102.1000109.7
537T30.7Very low32Very low112 Ų112140.3 Ų140.369%0.68777%0.767SS**  trans-111.9169.6-162.447.40000113.1
538A30.5Very low32.4Very low100 Ų100141.1 Ų141.183%0.82676%0.762SS**  trans72147.3165.900000115.7
539D30.1Very low32.2Very low136 Ų136141 Ų14173%0.72776%0.761SS**  cis-169.8-178.8-15.7179.421.9000106.2
540K32Very low32.9Very low144 Ų144137.4 Ų137.463%0.62676%0.757SS**  trans74.7117.9163.3-66.4-68.595.5-161.30119.5
541E31.3Very low33.5Very low162 Ų162132.2 Ų132.276%0.75774%0.743SS**  trans47.1116.1136.7-104.764.9-131.100120.5
542G30.1Very low34.1Very low75 Ų75132.6 Ų132.677%0.77374%0.739SS**  trans-179.1102.8163.300000112.8A544G542-A544 PolarHBondContact O-N 3.35Å
543S30.9Very low34.6Very low127 Ų127129.8 Ų129.889%0.88873%0.729SS**  trans-71109.5179.544.80000112
544A33.5Very low35.1Very low90 Ų90129.9 Ų129.974%0.74472%0.72SS**PPolyproline II helixtrans-74143.2175.500000111.9G542G542-A544 PolarHBondContact O-N 3.35Å
545P34.4Very low35.7Very low122 Ų122123.1 Ų123.179%0.79271%0.705SS**PPolyproline II helixtrans-68.6150.8176.129.2-34.9000111.9
546K36.6Very low36Very low203 Ų203120.8 Ų120.888%0.88370%0.702SS**PPolyproline II helixtrans-59.1132.4179.4-72.91721761720111.1
547P35Very low36.7Very low107 Ų107115.3 Ų115.370%0.69569%0.69SS**PPolyproline II helixtrans-68.9147.517429.5-34.7000111.4
548S36.5Very low37.3Very low87 Ų87119.1 Ų119.161%0.60869%0.692SS**PPolyproline II helixtrans-66.3149.8-178.8-53.60000112.5L550 H551S548-L550 PolarHBondContact O-N 3.32Å; S548-H551 PolarHBondContact O-N 3.38Å
549P38.2Very low38Very low113 Ų113117.4 Ų117.473%0.73468%0.684SS**THydrogen-bonded Turntrans-56.6-20.6-171.1-28.936.1000116.8H551 C552P549-H551 VanDerWaalsContact C-N 3.29Å; P549-H551 PolarHBondContact O-N 3.33Å; P549-C552 PolarHBondContact O-N 2.91Å
550L42.4Very low38.7Very low139 Ų139117.8 Ų117.873%0.72869%0.685SS**Hα-helixtrans-65.9-27.3-179.3-59.5177.2000113.4S548 C552 L553 E554S548-L550 PolarHBondContact O-N 3.32Å; L550-C552 PolarHBondContact O-N 3.08Å; L550-L553 WeakPolarHBondContact O-CB 3.46Å; L550-L553 PolarHBondContact O-N 3.21Å; L550-L553 VanDerWaalsContact O-N 3.14Å; L550-E554 PolarHBondContact O-N 3.35Å
551H41.9Very low38.9Very low122 Ų122118 Ų11857%0.56569%0.692SS**Hα-helixtrans-69.2-22-178.1-157.2-65.1000112.9S548 P549 S555S548-H551 PolarHBondContact O-N 3.38Å; P549-H551 VanDerWaalsContact C-N 3.29Å; P549-H551 PolarHBondContact O-N 3.33Å; H551-S555 PolarHBondContact O-N 3.01Å; H551-S555 PolarHBondContact O-OG 3.4Å
552C40.6Very low39.1Very low93 Ų93116.6 Ų116.663%0.62870%0.697SS**Hα-helixtrans-72-34.4173.6-61.10000111.9P549 L550 S555 A556P549-C552 PolarHBondContact O-N 2.91Å; L550-C552 PolarHBondContact O-N 3.08Å; C552-S555 PolarHBondContact O-N 2.72Å; C552-A556 PolarHBondContact O-N 3.1Å; C552-A556 VanDerWaalsContact O-N 3.08Å
553L43.4Very low39.4Very low112 Ų112119.2 Ų119.259%0.58670%0.697SS**Hα-helixtrans-69.7-43.9-177.7-171.268.8000111.8L550 S555 A556 L557L550-L553 WeakPolarHBondContact O-CB 3.46Å; L550-L553 PolarHBondContact O-N 3.21Å; L550-L553 VanDerWaalsContact O-N 3.14Å; L553-S555 PolarHBondContact O-N 3.27Å; L553-A556 PolarHBondContact O-N 3.11Å; L553-L557 PolarHBondContact O-N 3.47Å
554E43.8Very low39.2Very low111 Ų111124.6 Ų124.652%0.51970%0.698SS.*Hα-helixtrans-64.8-30.4175.8-158.4-165.8133.900112.3L550 R558L550-E554 PolarHBondContact O-N 3.35Å; E554-R558 IonicContact OE1-CZ 2.74Å; E554-R558 IonicContact OE1-NH2 2.61Å; E554-R558 PolarHBondContact OE1-NH2 3.23Å
555S42.3Very low39.7Very low69 Ų69124.9 Ų124.948%0.48369%0.693SS.*Hα-helixtrans-70.5-42.3175.4-53.60000111.6H551 C552 L553 R558H551-S555 PolarHBondContact O-N 3.01Å; H551-S555 PolarHBondContact O-OG 3.4Å; C552-S555 PolarHBondContact O-N 2.72Å; L553-S555 PolarHBondContact O-N 3.27Å; S555-R558 PolarHBondContact O-N 3.48Å
556A41.7Very low39.3Very low68 Ų68125.2 Ų125.256%0.56269%0.687SS**Hα-helixtrans-66.6-39.5-179.600000113.1C552 L553 R558C552-A556 PolarHBondContact O-N 3.1Å; C552-A556 VanDerWaalsContact O-N 3.08Å; L553-A556 PolarHBondContact O-N 3.11Å; A556-R558 PolarHBondContact O-N 3.11Å
557L44.5Very low38.9Very low130 Ų130123.8 Ų123.868%0.68168%0.676SS**Hα-helixtrans-72.5-14.4-179.6-70.6171.5000113.9L553 G559L553-L557 PolarHBondContact O-N 3.47Å; L557-G559 PolarHBondContact O-N 2.89Å
558R44.8Very low38.4Very low191 Ų191126.7 Ų126.772%0.72168%0.678SS**THydrogen-bonded Turntrans-78.6-0.8-175.6-155.8171.5-80-110.87.2114E554 S555 A556E554-R558 IonicContact OE1-CZ 2.74Å; E554-R558 IonicContact OE1-NH2 2.61Å; E554-R558 PolarHBondContact OE1-NH2 3.23Å; S555-R558 PolarHBondContact O-N 3.48Å; A556-R558 PolarHBondContact O-N 3.11Å
559G44.3Very low37.9Very low65 Ų65126.2 Ų126.267%0.6768%0.679SS**THydrogen-bonded Turntrans-105-8.3-17300000117.8L557L557-G559 PolarHBondContact O-N 2.89Å
560I44.2Very low37.3Very low143 Ų143126.7 Ų126.773%0.73368%0.684SS**SBendtrans-115.147.7-167.2-36.3-178.5000113.4
561L36.8Very low36.4Very low150 Ų150126.9 Ų126.979%0.78569%0.691SS**SBendtrans-140.5119.6160.1-76.6179.9000110.2V563L561-V563 PolarHBondContact O-N 2.93Å
562P35.7Very low35.6Very low132 Ų132124.7 Ų124.786%0.85770%0.701SS**  trans-73.495.5177.329.2-33.5000111R564P562-R564 PolarHBondContact O-N 2.89Å; P562-R564 VanDerWaalsContact O-N 3.16Å
563V35.5Very low34.8Very low129 Ų129123.8 Ų123.878%0.78271%0.707SS**  trans-69.4106.7174.4178.40000110.4L561L561-V563 PolarHBondContact O-N 2.93Å
564R28.3Very low34.2Very low240 Ų240124.4 Ų124.491%0.90672%0.718SS**  trans-138.6149146-77.6-156.8169.21630.8112.6P562P562-R564 PolarHBondContact O-N 2.89Å; P562-R564 VanDerWaalsContact O-N 3.16Å
565P42.3Very low33.6Very low97 Ų97123.9 Ų123.963%0.6373%0.727SS**  trans-133.6-158.5-15234.5-11000113.7
566L26.9Very low33Very low128 Ų128126.2 Ų126.267%0.6774%0.74SS**  trans80.6144.6169.6-44.4-175000113.9
567R27.8Very low32.5Very low174 Ų174128.3 Ų128.366%0.65775%0.751SS**  cis-166.7164.4-8.5-104.6178.7-145.6-740.3105.7
568F25.6Very low31.9Very low167 Ų167127.9 Ų127.973%0.73276%0.756SS**  cis-160.5133.2-6.3-121.4-9.4000105.7
569A25.1Very low31Very low77 Ų77124 Ų12464%0.63676%0.758SS**  97.8157.588.200000115.8
570C24.7Very low30.8Very low124 Ų124127.1 Ų127.184%0.83877%0.767SS**  trans80.8139.4170.1-58.80000118.3
571V25.2Very low29.8Very low142 Ų142124.2 Ų124.286%0.86177%0.771SS**  cis-159.1152.7-15.2116.80000109.4
572G25.1Very low29.3Very low76 Ų76122.6 Ų122.678%0.78477%0.773SS**  trans105.8125.4158.900000117
573G22.9Very low28.8Very low74 Ų74121.5 Ų121.576%0.76377%0.768SS**  trans-104.7-154.9158.200000110.2
574P30.2Very low28.4Very low126 Ų126120 Ų12082%0.81876%0.764SS**  cis-1181776.541.3-29.9000114.1
575S31.4Very low28.4Very low99 Ų99113.1 Ų113.169%0.69275%0.752SS**  trans-78.5144.8169.6174.80000112.3
576P30.8Very low27.5Very low119 Ų119117.2 Ų117.277%0.77376%0.76SS**  trans-116.4115.4147.133.9-22.3000111.5
577S31.5Very low27.5Very low111 Ų111116.9 Ų116.978%0.77677%0.769SS**  trans-104.1130.7156.4-580000108.5
578P30.9Very low27.3Very low122 Ų122111.9 Ų111.979%0.79277%0.771SS**  -140.7157.2126.437.8-26.2000114.3
579S25.3Very low27.5Very low108 Ų108108.6 Ų108.676%0.75577%0.769SS**  trans-74.9-165.7163.2-21.40000110.6
580P41.3Very low27.8Very low132 Ų132113.7 Ų113.786%0.85778%0.78SS**  cis-120.2170.6-47.234.9-21000110.8
581G23.5Very low28.1Very low81 Ų81111 Ų11184%0.83577%0.773SS**  trans-164.7135.4174.200000114.3
582S25.8Very low28.5Very low117 Ų117113.4 Ų113.482%0.81878%0.775SS**  trans-106.4159.1179.8-57.40000112.4
583S25.8Very low29Very low109 Ų109116.3 Ų116.376%0.76277%0.773SS**  trans86.6145.2149-56.10000120.5
584S26Very low29.7Very low98 Ų98118.1 Ų118.169%0.68577%0.771SS**  trans64.1109.6159.340.50000119.2
585S27.9Very low29.6Very low94 Ų94120.8 Ų120.866%0.65776%0.764SS**  38.2140.4109.5-40.40000118.5
586F24.3Very low29.7Very low183 Ų183121.7 Ų121.780%0.80377%0.768SS**  cis-156.2173.241.1-70.8-90.1000111.5
587S26.4Very low29.6Very low121 Ų121123.6 Ų123.685%0.84677%0.767SS**  trans41.3120.6153.6-550000119.2
588G24.5Very low29.8Very low69 Ų69124.2 Ų124.271%0.71177%0.768SS**  cis128.4175.511.600000110.9
589S28.5Very low29.8Very low99 Ų99126.3 Ų126.369%0.69277%0.767SS**  trans73.7145.7-177116.10000116.7
590E30.9Very low30Very low183 Ų183128.6 Ų128.686%0.85577%0.77SS**  trans28.8125148.2-59.6137.4157.200119.1
591G32.4Very low29.6Very low67 Ų67133.3 Ų133.369%0.69177%0.771SS**  cis171.8-161.23.600000111.9
592E32.4Very low30.2Very low194 Ų194138 Ų13891%0.90777%0.769SS**  trans5596.4163.2-69.8168.29300118.5
593D35.5Very low31Very low137 Ų137138.3 Ų138.373%0.73377%0.768SS**  trans-54.3144141.3-159.717.4000108.4R595D593-R595 PolarHBondContact OD1-N 3.2Å
594P38.9Very low31.1Very low112 Ų112140.4 Ų140.473%0.72777%0.769SS**  -141.1128.186.133.9-17.5000115.7
595R28.5Very low31.8Very low181 Ų181141.2 Ų141.268%0.68377%0.772SS**  trans-28.7121.3143.2175.3-164.3-64.1-168.2-1.2112.4D593D593-R595 PolarHBondContact OD1-N 3.2Å
596P31.7Very low31.9Very low119 Ų119143.9 Ų143.977%0.77377%0.774SS**  trans-80117.2157.930.9-30000110
597E29.3Very low32Very low158 Ų158141.5 Ų141.574%0.73877%0.766SS**  trans-78.3138.7163.7-91.3-166.4144.200111.1
598P36Very low32.1Very low124 Ų124145 Ų14581%0.80576%0.761SS**  trans-112.184.3-177.139.1-30.2000113.5
599E30.4Very low32.3Very low166 Ų166146.4 Ų146.478%0.77675%0.751SS**  trans-115124.9174.9-85.9-80.3148.600113.5
600L29.6Very low32.4Very low156 Ų156151.9 Ų151.982%0.81776%0.757SS**  trans54.1100.9143.3-132.562.9000122.1
601W33.8Very low32.3Very low231 Ų231150.9 Ų150.988%0.87576%0.757SS**  trans-56153.5154.2-51.146.6000110.5
602K34.5Very low33Very low181 Ų181153 Ų15379%0.78776%0.759SS**  cis-167.2179.239.9-64.4175.2-177.51740108.7
603P43Very low32.7Very low123 Ų123148.7 Ų148.780%0.79975%0.749SS**  cis-125.1174.6-20.824.6-2.4000113.8
604L29.6Very low32.2Very low152 Ų152147 Ų14780%0.79675%0.747SS**  trans-78.7159.3167.5-131.677.7000111.6
605P40.7Very low31.7Very low115 Ų115151 Ų15175%0.74775%0.753SS**  -136.2132.778.438.6-24.3000113.7
606Q28.4Very low32.4Very low150 Ų150147.8 Ų147.870%0.70176%0.756SS**  74.411097.5-171.7-165-40.500114.9
607E26Very low33Very low133 Ų133148 Ų14862%0.62176%0.757SS**  -175.8121.7116.9-16782.4165.100110.3
608R29.2Very low33.2Very low196 Ų196147 Ų14774%0.7476%0.761SS**  trans17.4149.8136.7-36.6179.281.4143.66.7119.7
609D29.5Very low33.3Very low97 Ų97146.1 Ų146.152%0.51976%0.756SS.*  cis-168.9167.83.2-133.5-64.3000109.1
610R30.3Very low33.1Very low214 Ų214146.5 Ų146.581%0.80876%0.762SS**  trans58.7102160.1-52.8-59.4149.5113.73.3122.7
611L28.6Very low33.3Very low163 Ų163144 Ų14485%0.85376%0.758SS**  trans-38.3174.4132-69.7171000115.9
612P47.4Very low33.4Very low112 Ų112138.8 Ų138.873%0.72775%0.754SS**  cis-139.8-169.9-20.830.3-7000114.8
613S26Very low33.2Very low102 Ų102135.8 Ų135.871%0.71375%0.754SS**  128.3117.7119.4-154.40000119.8
614C24.1Very low33.2Very low102 Ų102136 Ų13669%0.68976%0.755SS**  trans58.3104.7138-68.80000124.7
615K28.8Very low33Very low197 Ų197132.7 Ų132.786%0.85776%0.758SS**  79.7156.9120.4-73.6178.4177.7177.70120.5
616P43.6Very low32.2Very low113 Ų113130.3 Ų130.373%0.73476%0.755SS**  trans-108.5-176.2-16144.8-36.4000113.5
617P44.3Very low32.4Very low123 Ų123130 Ų13080%0.79976%0.763SS**  -146.2170.189.439.4-22.8000116.6
618V33.1Very low33.4Very low136 Ų136129 Ų12982%0.82477%0.768SS**  trans-90.6143.9169.11660000108.9
619P39.3Very low33.3Very low106 Ų106124.7 Ų124.769%0.68877%0.774SS**  -159.3169.4112.143.6-24.7000119.3
620L26.2Very low33.2Very low174 Ų174123.7 Ų123.791%0.91179%0.788SS**  trans81.6143158-53-169.5000121.5
621S32.2Very low33.2Very low105 Ų105119.4 Ų119.473%0.73479%0.79SS**  trans-108.8169.3171.358.60000110.8
622P36.1Very low33.2Very low120 Ų120117.1 Ų117.178%0.77979%0.788SS**  -152.6172.89539.8-21.7000116.7
623C30.8Very low32.3Very low118 Ų118115.6 Ų115.680%0.79779%0.793SS**  trans-84.9177.3165.6-35.70000110.5
624P42.6Very low32.4Very low127 Ų127114.5 Ų114.583%0.82580%0.798SS**  -156.7174.953.942.9-21000119.7
625G25.1Very low32.7Very low83 Ų83115.6 Ų115.686%0.85681%0.806SS**  trans85.7152.4153.100000118.5
626G25.8Very low33.5Very low65 Ų65112.5 Ų112.567%0.6781%0.806SS**  cis168122.3-12.300000115.4
627T31.1Very low32.7Very low144 Ų144110.7 Ų110.788%0.88381%0.808SS**  trans60.6167.8159.357.20000119.7
628P46.5Very low32.1Very low111 Ų111113.9 Ų113.972%0.72181%0.812SS**  -136.9168.4-51.639.2-24.8000115.5
629A28.7Very low32.2Very low106 Ų106114.8 Ų114.888%0.87681%0.813SS**  trans64.3144.7157.700000119.5
630G26.4Very low32.5Very low77 Ų77113.8 Ų113.879%0.79481%0.806SS**  cis164131-10.900000113.6
631S29.9Very low32.7Very low124 Ų124116 Ų11687%0.86780%0.802SS**  trans-159.9160.4163.1-157.80000110.7
632S29.9Very low32.6Very low115 Ų115121.4 Ų121.480%0.80481%0.806SS**  trans-53.4147.1-178.2-47.90000112.9
633G28.9Very low32.2Very low80 Ų80119.7 Ų119.783%0.82579%0.794SS**  cis96124.919.700000110.7
634G28Very low32.2Very low79 Ų79122.4 Ų122.481%0.81480%0.795SS**  cis-166160.9-3.600000112
635S29.7Very low32.4Very low124 Ų124121.4 Ų121.487%0.86779%0.788SS**  trans-74161.6-173-57.30000113.9
636P44.9Very low32.7Very low132 Ų132129.4 Ų129.486%0.85779%0.793SS**  trans-81.4165-165.833.4-37000114.8
637G27.3Very low32.9Very low75 Ų75136.6 Ų136.677%0.77380%0.801SS**  trans-122.8159.7166.700000111.3
638E32.7Very low32.7Very low190 Ų190135 Ų13589%0.88879%0.794SS**  trans-95.3130.6-163-56.5174125.200114.5
639D34.6Very low31.9Very low156 Ų156135.3 Ų135.383%0.83480%0.8SS**  trans58.5-176.1160-131.727.9000115.3
640P46.1Very low31.9Very low84 Ų84133.4 Ų133.455%0.54579%0.79SS.*  cis-132.5-179.8-7.729.1-5.5000116.6
641R28.8Very low32.3Very low221 Ų221138.7 Ų138.783%0.83480%0.799SS**  trans103.6125.5146.5-52.9-178.2-160.4-109.5-1.3120.2
642R30Very low32.2Very low218 Ų218136.4 Ų136.482%0.82380%0.795SS**  42.4123.7129.6-92.6-165.8160.2-104.110.9121.9
643T29.5Very low32.2Very low84 Ų84136.1 Ų136.152%0.51580%0.8SS.*  88133.6117-61.40000120.7
644E29.4Very low32.1Very low175 Ų175135.9 Ų135.982%0.81880%0.797SS**  trans68.2171.6158.2-81.7168.1-179.800118.7
645P47Very low32.3Very low106 Ų106138.6 Ų138.669%0.68880%0.798SS**  cis-133.2177.7-4837.1-23.7000112
646R31.6Very low32.3Very low251 Ų251137.4 Ų137.495%0.94780%0.795SS**  trans-161.6175.2142.9-114.6162.3-138.6-151.73.8115.6
647Y29.7Very low31.3Very low217 Ų217140.7 Ų140.785%0.85180%0.799SS**  trans-138.6176.7-157.5-135.3-97.3000109.7
648C26.6Very low31.3Very low109 Ų109144 Ų14474%0.73680%0.8SS**  trans74.7159165.2-63.20000118.6
649S30.9Very low32Very low119 Ų119139.6 Ų139.683%0.83279%0.787SS**  cis176.4147.3-36.9-94.60000109.5
650G28.7Very low31.3Very low65 Ų65137.7 Ų137.767%0.6779%0.785SS**  trans133.4107.2172.100000111.4
651L34.3Very low31.2Very low188 Ų188138.8 Ų138.898%0.98479%0.792SS**  70.9128.572.4-66171.8000112.8
652G27.6Very low31Very low77 Ų77134.3 Ų134.379%0.79479%0.789SS**  cis-163.1-172.33.200000113.3
653A30.9Very low30.8Very low109 Ų109128.1 Ų128.190%0.90178%0.779SS**  trans-117.7166.8-169.900000113.9
654G26.7Very low30.8Very low74 Ų74131.6 Ų131.676%0.76379%0.79SS**  trans-161.1147.4172.100000111.1
655T30.7Very low30.8Very low137 Ų137129.9 Ų129.984%0.8479%0.785SS**  trans-134.3141.6-159.151.90000116
656A30.9Very low30Very low98 Ų98131.1 Ų131.181%0.8178%0.782SS**  trans-0.4145.3156.200000122.4
657Q24.2Very low29.7Very low201 Ų201127 Ų12794%0.93977%0.771SS**  trans-156.8161132.3-114.417213.900113.1
658D25.8Very low29.5Very low146 Ų146126.6 Ų126.678%0.78177%0.768SS**  trans-116.5-162.6-176-154.732.6000107.5
659P47.3Very low30.1Very low97 Ų97126.1 Ų126.163%0.6376%0.763SS**  cis-143.7174.1-2.343.8-24.6000119.2
660C20.7Very low29.9Very low116 Ų116131 Ų13178%0.78476%0.764SS**  trans70.8168.4143.5-960000120.2
661P43.5Very low29.6Very low107 Ų107134.1 Ų134.170%0.69577%0.769SS**  cis-137.5174.2-0.640.4-22.5000118.1
662V24.7Very low29.3Very low126 Ų126130.6 Ų130.676%0.76476%0.76SS**  trans82.6123.1134.6145.10000123.7
663S27Very low29.3Very low89 Ų89136 Ų13662%0.62277%0.765SS**  trans67152.8145.3-70.80000120.9
664Q29.6Very low29.4Very low157 Ų157135.5 Ų135.573%0.73476%0.76SS**  cis-149150.7-5.2-115.4161.558.900107.7
665L29.3Very low29.5Very low138 Ų138136.3 Ų136.372%0.72376%0.755SS**  48.7117.985.2-144.778.1000111.7
666E28.3Very low29.4Very low132 Ų132140.1 Ų140.162%0.61775%0.754SS**  cis-159.2-155-1.8-128.6-171.1114.800107.8
667K26.2Very low29.6Very low165 Ų165139.2 Ų139.272%0.71775%0.754SS**  cis-15316810.1-153.6135.1-174.694.50112.1
668R26.2Very low29.9Very low209 Ų209137.3 Ų137.379%0.78975%0.749SS**  trans-68-177.8157.6-112.9175.2173.2158.1-2.4111.1
669P38.2Very low30.2Very low99 Ų99138.3 Ų138.364%0.64375%0.749SS**  cis-143154.30.125.5-0.7000119.1
670R26.1Very low29.4Very low222 Ų222140.3 Ų140.384%0.83875%0.754SS**  trans60.2164137-62.1175.1-172.1-126.510.1122
671V23.5Very low29.7Very low129 Ų129138.4 Ų138.478%0.78275%0.754SS**  trans110.9134.1144-174.10000118.1
672S27.7Very low29.1Very low114 Ų114141.3 Ų141.380%0.79776%0.758SS**  trans92.1139.3158.8-86.10000121.3
673E27.3Very low29.2Very low191 Ų191139.2 Ų139.289%0.89376%0.762SS**  trans-86.5174.4-173-65.5156.977.500113.5
674A32.6Very low29.5Very low98 Ų98144.7 Ų144.781%0.8177%0.769SS**  trans-57.7139175.300000114
675S28.9Very low30Very low92 Ų92143.2 Ų143.264%0.64377%0.773SS**  trans-160.7133.7154-990000112.9
676R28.2Very low30.3Very low217 Ų217146.6 Ų146.682%0.81978%0.776SS**  trans61.6111.4143.9-56.4157.9-157.8-1050117.2
677G35.7Very low30.4Very low79 Ų79147.3 Ų147.381%0.81479%0.789SS**  trans-70.3151.7135.900000110
678L30.2Very low30.4Very low160 Ų160143.7 Ų143.784%0.83879%0.79SS**  trans-152.7146.8164.2-112174.5000108.8
679E33.4Very low30.5Very low168 Ų168137.8 Ų137.879%0.78579%0.786SS**  trans-74.1156.2167-52.4-176.5129.300110.7
680L29Very low30.1Very low138 Ų138142.8 Ų142.872%0.72380%0.797SS**  -170153.2112.6-134.466.3000111.5
681G27Very low30.3Very low77 Ų77137.4 Ų137.479%0.79479%0.79SS**  trans-171.446.1-177.200000115.2
682H32.1Very low30.6Very low168 Ų168139.7 Ų139.778%0.77879%0.791SS**  trans-66.2146.1-178.8-59.1-65.8000113.4
683G26.9Very low30.6Very low81 Ų81142.7 Ų142.784%0.83579%0.793SS**  trans-163.269-178.500000116.3
684R32.1Very low30.8Very low204 Ų204143.6 Ų143.677%0.7779%0.788SS**  trans-107.3136.9150.9-106.4-170.5179.9-77.53.6107.2
685P41.9Very low30.6Very low127 Ų127145.9 Ų145.983%0.82579%0.786SS**  -136.8-14788.336.3-20.6000113.8
686R34.6Very low30.9Very low209 Ų209149.1 Ų149.179%0.78980%0.795SS**  trans-119.7-180-170.8-70174.4166.6-110.18.2111.2
687V29.9Very low31.8Very low146 Ų146144 Ų14489%0.88579%0.79SS**  trans81.2136.9168.1-171.70000112.3
688A26.5Very low31.4Very low90 Ų90149.2 Ų149.274%0.74479%0.793SS**  cis-147.6-169.75.100000108.9
689A27.9Very low31.1Very low85 Ų85144.7 Ų144.770%0.70279%0.785SS**  cis174.9145.9-41.500000108.6
690K30.9Very low31.8Very low203 Ų203142.8 Ų142.888%0.88379%0.787SS**  trans65.3155.7178-60176.7170.7175.60114.6
691T29.7Very low32.6Very low110 Ų110141 Ų14168%0.67578%0.784SS**  cis-139.3161.415.234.90000113.2
692H31Very low32.5Very low177 Ų177146.2 Ų146.282%0.81979%0.788SS**  trans23.5144.7144.2-52.4110.1000121.3
693E27.2Very low32.8Very low177 Ų177146 Ų14683%0.82779%0.791SS**  cis-136.4149.814.8-66.6-177109.600109.3
694R30.6Very low33.4Very low209 Ų209148 Ų14879%0.78979%0.79SS**  cis83.793.743-160-146.6-176.1-1701.5115.2
695L29.2Very low33.5Very low147 Ų147143.5 Ų143.577%0.7779%0.789SS**  -173.5166.3112.4-96.8171.7000114.4
696L36.1Very low32.8Very low159 Ų159147 Ų14783%0.83280%0.795SS**  trans-110.4-169.8-168.9-82168.8000110.8
697P47Very low32.6Very low109 Ų109142.2 Ų142.271%0.70879%0.793SS**  cis-123.9-1640.838.3-16.9000112.5
698Q26.3Very low34.2Very low190 Ų190140.8 Ų140.889%0.88879%0.787SS**  cis-134.6-176.47.8-57.2-179.9-6.800109.2
699G24.3Very low34.8Very low64 Ų64142.1 Ų142.166%0.6679%0.788SS**  cis-176.8155.3-5.600000111.3
700P47.5Very low35.4Very low128 Ų128143.2 Ų143.283%0.83179%0.788SS**  trans-94.1-177.9178.341.6-37.8000112
701P45.4Very low35.2Very low102 Ų102142.2 Ų142.266%0.66279%0.787SS**  cis-143.5177.915.545.1-26.2000118.9
702E25.9Very low35.4Very low186 Ų186144.6 Ų144.687%0.86979%0.794SS**  trans61.5157141.9-78.3170.7107.400125.6
703L38.6Very low36.2Very low163 Ų163141.4 Ų141.485%0.85379%0.789SS**  trans-101.1175.8175.1-73.8163000108.6
704P40Very low37Very low124 Ų124138.5 Ų138.581%0.80579%0.786SS**  cis-147.3-153.127.844.8-21.7000116.3
705S33.4Very low38.2Very low109 Ų109134 Ų13476%0.76278%0.784SS**  trans-69.8154.2-167.8-380000118.6
706E26.9Very low38Very low200 Ų200136.3 Ų136.394%0.93579%0.79SS**  trans-145.5171.6132-107.4-170.4113.500110
707S30.1Very low37.8Very low109 Ų109132.9 Ų132.976%0.76279%0.785SS**  trans-118.6-160.8-150.5-46.70000115.4
708P63.9Low37.5Very low115 Ų115132.8 Ų132.875%0.74779%0.793SS**  -117-167.5-126.936.9-14.9000114.5
709P38.3Very low38.1Very low119 Ų119129.1 Ų129.177%0.77379%0.786SS**  -142.7-166.5108.545.4-31.1000112.5
710P40.8Very low38.9Very low107 Ų107131.1 Ų131.170%0.69579%0.787SS**  -129.8-176.2-96.237.1-16.2000116.3
711E27.5Very low38.7Very low183 Ų183131.5 Ų131.586%0.85579%0.787SS**  trans65.264.8160-80.3163.597.300120.3
712L32.9Very low38.2Very low159 Ų159133.9 Ų133.983%0.83279%0.794SS**  -35.4178118.7-64.7170.4000115.4
713P48Very low38.6Very low111 Ų111129.5 Ų129.572%0.72178%0.781SS**  cis-131-151.8-11.628.2-2.3000110.6
714P44.1Very low38.8Very low116 Ų116127 Ų12775%0.75378%0.784SS**  cis-123169.6-2116.67.8000114.9
715P56.5Low38.6Very low114 Ų114125.3 Ų125.374%0.7478%0.775SS**  trans-98.2158167.138.3-32.2000112.8
716E25.5Very low38.5Very low195 Ų195125.1 Ų125.191%0.91177%0.774SS**  trans-167.9165.4144.9-119.3179129.600115.5
717A30.9Very low39.2Very low87 Ų87123.7 Ų123.772%0.71977%0.772SS**  trans55.8121.516100000121
718A40.7Very low39.7Very low107 Ų107126 Ų12688%0.88477%0.771SS**  trans-86.6126.1157.700000110.7
719P39.1Very low38.8Very low113 Ų113125.3 Ų125.373%0.73477%0.766SS**  trans-146.6-179.7134.639.4-24.4000112.4
720P40.8Very low39.5Very low106 Ų106124 Ų12469%0.68876%0.757SS**  cis-117166.1-10.239.3-28.1000113.5L722P720-L722 PolarHBondContact O-N 3.39Å
721V44.3Very low40Very low137 Ų137123.2 Ų123.283%0.8375%0.753SS**PPolyproline II helixtrans-64.2125.6154.4173.70000107.7
722L34.3Very low41.4Very low152 Ų152121 Ų12180%0.79674%0.742SS**PPolyproline II helixtrans-61.9131.1172.6-68.9177000109.3P720P720-L722 PolarHBondContact O-N 3.39Å
723P33.8Very low42.6Very low94 Ų94118 Ų11861%0.6173%0.734SS**PPolyproline II helixtrans-69.8138.7-168.328.2-35.8000111.8S725P723-S725 WeakPolarHBondContact CB-OG 3.36Å; P723-S725 WeakPolarHBondContact CG-OG 3.45Å; P723-S725 PolarHBondContact O-N 3.04Å
724A42.4Very low43.2Very low110 Ų110114.2 Ų114.291%0.90972%0.715SS**  trans-73.663.9169.700000110.6
725S35.6Very low44.8Very low88 Ų88115 Ų11562%0.61571%0.706SS**  trans-135.154.3-170.667.20000113.1P723P723-S725 WeakPolarHBondContact CB-OG 3.36Å; P723-S725 WeakPolarHBondContact CG-OG 3.45Å; P723-S725 PolarHBondContact O-N 3.04Å
726S32Very low46Very low106 Ų106112.8 Ų112.874%0.74169%0.692SS**  trans-145.362.5143.4-160.30000110.5Q728S726-Q728 PolarHBondContact O-N 3.2Å
727L42Very low48.8Very low169 Ų169108.5 Ų108.589%0.88568%0.675SS**  trans-67.383.1147.5-80.8173.8000106.5P729L727-P729 VanDerWaalsContact O-N 3.14Å
728Q39.3Very low51.4Low159 Ų159109.9 Ų109.974%0.74367%0.667SS**PPolyproline II helixtrans-52.5119.2175.3-170176.717.700107.5S726 P730S726-Q728 PolarHBondContact O-N 3.2Å; Q728-P730 VanDerWaalsContact O-N 3.16Å
729P46.6Very low53.8Low100 Ų100111 Ų11165%0.64965%0.653SS**PPolyproline II helixtrans-59.6125.8-177.123.5-32.7000107.6L727 C731L727-P729 VanDerWaalsContact O-N 3.14Å; P729-C731 PolarHBondContact O-N 3.15Å
730P52.3Low56.3Low91 Ų91111.6 Ų111.659%0.59165%0.646SS**PPolyproline II helixtrans-56.9116.9-171.521.1-32.7000108.4Q728 H732Q728-P730 VanDerWaalsContact O-N 3.16Å; P730-H732 PolarHBondContact O-CE1 3.39Å; P730-H732 PolarHBondContact O-N 3.19Å; P730-H732 PolarHBondContact O-ND1 3.13Å
731C51.8Low58.9Low90 Ų90111.9 Ų111.961%0.60864%0.642SS**  trans-62.4110.3-164.349.20000110.2P729 C733 G734P729-C731 PolarHBondContact O-N 3.15Å; C731-C733 PolarHBondContact O-N 3.39Å; C731-G734 PolarHBondContact O-N 3.44Å
732H55.7Low61.2Low136 Ų136110.9 Ų110.963%0.6363%0.628SS**THydrogen-bonded Turntrans-66.3-15.8-167.6-78.550.4000113P730 G734 P736P730-H732 PolarHBondContact O-CE1 3.39Å; P730-H732 PolarHBondContact O-N 3.19Å; P730-H732 PolarHBondContact O-ND1 3.13Å; H732-G734 VanDerWaalsContact C-N 3.31Å; H732-G734 PolarHBondContact O-N 3.27Å; H732-P736 WeakPolarHBondContact O-CD 3.46Å
733C59.5Low64Low97 Ų97106.9 Ų106.966%0.65561%0.612SS**THydrogen-bonded Turntrans-67.1-21.8170.252.90000114.7C731 P736C731-C733 PolarHBondContact O-N 3.39Å; C733-P736 WeakPolarHBondContact O-CD 3.4Å; C733-P736 WeakPolarHBondContact O-CG 3.32Å
734G59.1Low67Low31 Ų31107.9 Ų107.932%0.3261%0.612SS.*Hα-helixtrans-72.6-32.6177.600000113.6C731 H732 Q738C731-G734 PolarHBondContact O-N 3.44Å; H732-G734 VanDerWaalsContact C-N 3.31Å; H732-G734 PolarHBondContact O-N 3.27Å; G734-Q738 VanDerWaalsContact O-CB 3.32Å; G734-Q738 WeakPolarHBondContact O-CB 3.49Å; G734-Q738 PolarHBondContact O-N 3.37Å
735K78.1Confident69.6Low132 Ų132104.4 Ų104.457%0.57459%0.587SS**Hα-helixtrans-63.7-48.1-177.1-66.8-174178.5179.90114.7Q738 Q739K735-Q738 PolarHBondContact O-N 2.96Å; K735-Q739 WeakPolarHBondContact O-CB 3.48Å; K735-Q739 PolarHBondContact O-N 3.1Å
736P82.4Confident72.5Confident69 Ų69103.2 Ų103.245%0.44858%0.582SS.*Hα-helixtrans-63.2-45177.623.5-33.2000111.8H732 C733 Q738 Q739 E740H732-P736 WeakPolarHBondContact O-CD 3.46Å; C733-P736 WeakPolarHBondContact O-CD 3.4Å; C733-P736 WeakPolarHBondContact O-CG 3.32Å; P736-Q738 VanDerWaalsContact C-N 3.34Å; P736-Q738 PolarHBondContact O-N 2.87Å; P736-Q739 WeakPolarHBondContact O-CB 3.46Å; P736-Q739 PolarHBondContact O-N 3.21Å; P736-Q739 VanDerWaalsContact O-N 3.12Å; P736-E740 PolarHBondContact O-N 2.98Å
737L83.3Confident75.6Confident104 Ų104100.2 Ų100.255%0.54556%0.564SS.*Hα-helixtrans-60.1-43.1177.4-175.969.3000111.8Q739 E740 L741L737-Q739 VanDerWaalsContact C-N 3.34Å; L737-E740 PolarHBondContact O-N 3.01Å; L737-L741 HydrophobicContact CG-CD1 4.32Å; L737-L741 VanDerWaalsContact O-CG 3.32Å; L737-L741 WeakPolarHBondContact O-CG 3.37Å; L737-L741 PolarHBondContact O-N 2.9Å
738Q86.3Confident78.2Confident116 Ų11696.7 Ų96.754%0.54255%0.545SS..Hα-helixtrans-66.7-36176.6-171.9172.1-0.900112G734 K735 P736 L741 H742G734-Q738 VanDerWaalsContact O-CB 3.32Å; G734-Q738 WeakPolarHBondContact O-CB 3.49Å; G734-Q738 PolarHBondContact O-N 3.37Å; K735-Q738 PolarHBondContact O-N 2.96Å; P736-Q738 VanDerWaalsContact C-N 3.34Å; P736-Q738 PolarHBondContact O-N 2.87Å; Q738-L741 PolarHBondContact O-N 3.39Å; Q738-H742 PolarHBondContact O-CD2 2.71Å; Q738-H742 PolarHBondContact O-N 2.84Å
739Q91.8Very high80.9Confident130 Ų13091.4 Ų91.461%0.60753%0.529SS*.Hα-helixtrans-67.4-38174.5-174.861.735.100112.2K735 P736 L737 H742 S743K735-Q739 WeakPolarHBondContact O-CB 3.48Å; K735-Q739 PolarHBondContact O-N 3.1Å; P736-Q739 WeakPolarHBondContact O-CB 3.46Å; P736-Q739 PolarHBondContact O-N 3.21Å; P736-Q739 VanDerWaalsContact O-N 3.12Å; L737-Q739 VanDerWaalsContact C-N 3.34Å; Q739-H742 PolarHBondContact O-N 2.99Å; Q739-S743 PolarHBondContact O-N 2.83Å; Q739-S743 PolarHBondContact O-OG 3.45Å
740E91.6Very high83.3Confident126 Ų12691.3 Ų91.359%0.58952%0.52SS*.Hα-helixtrans-67.8-40173.8-73.9-179.916800112.1P736 L737 H742 S743 L744P736-E740 PolarHBondContact O-N 2.98Å; L737-E740 PolarHBondContact O-N 3.01Å; E740-H742 VanDerWaalsContact C-N 3.32Å; E740-H742 PolarHBondContact O-N 2.92Å; E740-S743 WeakPolarHBondContact CA-OG 3.33Å; E740-S743 PolarHBondContact O-N 3.34Å; E740-S743 PolarHBondContact O-OG 2.82Å; E740-S743 VanDerWaalsContact O-OG 3.1Å; E740-L744 WeakPolarHBondContact O-CB 3.27Å; E740-L744 PolarHBondContact O-N 3.23Å
741L94.3Very high85.4Confident112 Ų11293.8 Ų93.859%0.58652%0.521SS*.Hα-helixtrans-65-36.2173.1-70.4170.9000111.9L737 Q738 G745L737-L741 HydrophobicContact CG-CD1 4.32Å; L737-L741 VanDerWaalsContact O-CG 3.32Å; L737-L741 WeakPolarHBondContact O-CG 3.37Å; L737-L741 PolarHBondContact O-N 2.9Å; Q738-L741 PolarHBondContact O-N 3.39Å; L741-G745 PolarHBondContact O-N 3.01Å
742H93.1Very high87.6Confident117 Ų11794.3 Ų94.354%0.54252%0.517SS..Hα-helixtrans-70.7-39.3173-79.9-60.4000113.1Q738 Q739 E740 G745 A746Q738-H742 PolarHBondContact O-CD2 2.71Å; Q738-H742 PolarHBondContact O-N 2.84Å; Q739-H742 PolarHBondContact O-N 2.99Å; E740-H742 VanDerWaalsContact C-N 3.32Å; E740-H742 PolarHBondContact O-N 2.92Å; H742-G745 PolarHBondContact O-N 3.29Å; H742-A746 WeakPolarHBondContact O-CB 3.19Å; H742-A746 PolarHBondContact O-N 2.61Å
743S93.4Very high89.6Confident67 Ų6793 Ų9347%0.46952%0.515SS..Hα-helixtrans-71.7-39.2178.168.20000112.2Q739 E740 A746 A747Q739-S743 PolarHBondContact O-N 2.83Å; Q739-S743 PolarHBondContact O-OG 3.45Å; E740-S743 WeakPolarHBondContact CA-OG 3.33Å; E740-S743 PolarHBondContact O-N 3.34Å; E740-S743 PolarHBondContact O-OG 2.82Å; E740-S743 VanDerWaalsContact O-OG 3.1Å; S743-A746 PolarHBondContact O-N 2.83Å; S743-A747 WeakPolarHBondContact O-CB 3.41Å; S743-A747 PolarHBondContact O-N 2.81Å
744L97.1Very high91.4Very high116 Ų11696.3 Ų96.361%0.60751%0.514SS*.Hα-helixtrans-65.7-40.7172.5-171.4151.8000111.1E740 A747 L748E740-L744 WeakPolarHBondContact O-CB 3.27Å; E740-L744 PolarHBondContact O-N 3.23Å; L744-A747 PolarHBondContact O-N 2.99Å; L744-L748 WeakPolarHBondContact O-CB 3.3Å; L744-L748 PolarHBondContact O-N 3.44Å
745G97.3Very high93.3Very high36 Ų3699.6 Ų99.637%0.37152%0.523SS..Hα-helixtrans-60.6-43.8172.800000113L741 H742 L748 A749L741-G745 PolarHBondContact O-N 3.01Å; H742-G745 PolarHBondContact O-N 3.29Å; G745-L748 PolarHBondContact O-N 2.91Å; G745-A749 WeakPolarHBondContact O-CB 3.47Å; G745-A749 PolarHBondContact O-N 2.94Å
746A95.8Very high94.2Very high63 Ų6395.9 Ų95.952%0.52152%0.517SS..Hα-helixtrans-65.4-44.4175.300000112.3H742 S743 L748 A749 E750H742-A746 WeakPolarHBondContact O-CB 3.19Å; H742-A746 PolarHBondContact O-N 2.61Å; S743-A746 PolarHBondContact O-N 2.83Å; A746-L748 VanDerWaalsContact C-N 3.3Å; A746-L748 PolarHBondContact O-N 3.34Å; A746-A749 PolarHBondContact O-N 3.1Å; A746-E750 PolarHBondContact O-N 3.38Å
747A96.3Very high94.9Very high43 Ų4397.3 Ų97.336%0.35553%0.525SS..Hα-helixtrans-66.2-30.6177.300000112.9S743 L744 K751S743-A747 WeakPolarHBondContact O-CB 3.41Å; S743-A747 PolarHBondContact O-N 2.81Å; L744-A747 PolarHBondContact O-N 2.99Å; A747-K751 VanDerWaalsContact O-CG 3.25Å; A747-K751 WeakPolarHBondContact O-CG 3.49Å; A747-K751 PolarHBondContact O-N 2.81Å
748L97Very high95.6Very high96 Ų9695 Ų9550%0.50352%0.521SS..Hα-helixtrans-71.2-45171.8-179.560.6000111.3L744 G745 A746 E750 K751 L752L744-L748 WeakPolarHBondContact O-CB 3.3Å; L744-L748 PolarHBondContact O-N 3.44Å; G745-L748 PolarHBondContact O-N 2.91Å; A746-L748 VanDerWaalsContact C-N 3.3Å; A746-L748 PolarHBondContact O-N 3.34Å; L748-E750 PolarHBondContact O-N 2.67Å; L748-K751 PolarHBondContact O-N 2.79Å; L748-L752 HydrophobicContact CD1-CD1 4.44Å; L748-L752 HydrophobicContact CD1-CG 4.46Å; L748-L752 HydrophobicContact CG-CD1 4.19Å; L748-L752 WeakPolarHBondContact O-CG 3.24Å; L748-L752 PolarHBondContact O-N 3.39Å
749A96.4Very high96.1Very high47 Ų4794.4 Ų94.439%0.38852%0.521SS..Hα-helixtrans-58.4-46.9175.500000111.6G745 A746 K751 L752 D753G745-A749 WeakPolarHBondContact O-CB 3.47Å; G745-A749 PolarHBondContact O-N 2.94Å; A746-A749 PolarHBondContact O-N 3.1Å; A749-K751 VanDerWaalsContact C-N 3.3Å; A749-K751 PolarHBondContact O-N 3.12Å; A749-L752 PolarHBondContact O-N 2.69Å; A749-L752 VanDerWaalsContact O-N 3.08Å; A749-D753 PolarHBondContact O-N 2.92Å
750E97.1Very high96.4Very high99 Ų9991.1 Ų91.146%0.46352%0.516SS..Hα-helixtrans-60.4-37.9177.1-162.3-155.2142.500112.3A746 L748 R754A746-E750 PolarHBondContact O-N 3.38Å; L748-E750 PolarHBondContact O-N 2.67Å; E750-R754 WeakPolarHBondContact O-CB 3.48Å; E750-R754 WeakPolarHBondContact O-CG 3.32Å; E750-R754 PolarHBondContact O-N 3.15Å; E750-R754 IonicContact OE1-CZ 3.72Å; E750-R754 IonicContact OE1-NE 3.13Å; E750-R754 PolarHBondContact OE1-NE 3.23Å; E750-R754 IonicContact OE1-NH2 2.74Å; E750-R754 PolarHBondContact OE1-NH2 3.08Å
751K97Very high96.7Very high142 Ų14286.8 Ų86.862%0.61751%0.505SS*.Hα-helixtrans-67.2-38.1174.5-74.9172.1-171-62.40112.3A747 L748 A749 L755A747-K751 VanDerWaalsContact O-CG 3.25Å; A747-K751 WeakPolarHBondContact O-CG 3.49Å; A747-K751 PolarHBondContact O-N 2.81Å; L748-K751 PolarHBondContact O-N 2.79Å; A749-K751 VanDerWaalsContact C-N 3.3Å; A749-K751 PolarHBondContact O-N 3.12Å; K751-L755 WeakPolarHBondContact O-CB 3.48Å; K751-L755 PolarHBondContact O-N 3.04Å
752L97.6Very high96.9Very high101 Ų10185.9 Ų85.953%0.52950%0.5SS..Hα-helixtrans-68.9-41.8176.3-69.1170.7000111.6L748 A749 L755 A756L748-L752 HydrophobicContact CD1-CD1 4.44Å; L748-L752 HydrophobicContact CD1-CG 4.46Å; L748-L752 HydrophobicContact CG-CD1 4.19Å; L748-L752 WeakPolarHBondContact O-CG 3.24Å; L748-L752 PolarHBondContact O-N 3.39Å; A749-L752 PolarHBondContact O-N 2.69Å; A749-L752 VanDerWaalsContact O-N 3.08Å; L752-L755 PolarHBondContact O-N 2.99Å; L752-A756 WeakPolarHBondContact O-CB 3.44Å; L752-A756 PolarHBondContact O-N 2.83Å
753D97.8Very high97.1Very high110 Ų11083.1 Ų83.159%0.58850%0.498SS*.Hα-helixtrans-65.1-41.2175.6-76.6-15.4000112A749 L755 A756 T757A749-D753 PolarHBondContact O-N 2.92Å; D753-L755 VanDerWaalsContact C-N 3.34Å; D753-L755 PolarHBondContact O-N 3.32Å; D753-A756 PolarHBondContact O-N 3.48Å; D753-T757 WeakPolarHBondContact O-CB 3.3Å; D753-T757 PolarHBondContact O-N 2.92Å; D753-T757 PolarHBondContact O-OG1 3.47Å
754R96.8Very high97.3Very high165 Ų16585.8 Ų85.862%0.62350%0.503SS*.Hα-helixtrans-60.3-42.2171.9-75.2170.6-179.8-95.46.1111.8E750 T757 A758E750-R754 WeakPolarHBondContact O-CB 3.48Å; E750-R754 WeakPolarHBondContact O-CG 3.32Å; E750-R754 PolarHBondContact O-N 3.15Å; E750-R754 IonicContact OE1-CZ 3.72Å; E750-R754 IonicContact OE1-NE 3.13Å; E750-R754 PolarHBondContact OE1-NE 3.23Å; E750-R754 IonicContact OE1-NH2 2.74Å; E750-R754 PolarHBondContact OE1-NH2 3.08Å; R754-T757 PolarHBondContact O-N 3.37Å; R754-A758 PolarHBondContact O-N 3.27Å
755L98.3Very high97.3Very high100 Ų10086.2 Ų86.252%0.52450%0.502SS..Hα-helixtrans-68.7-43.5178.4-170.2154.6000111.4K751 L752 D753 T757 A758 L759K751-L755 WeakPolarHBondContact O-CB 3.48Å; K751-L755 PolarHBondContact O-N 3.04Å; L752-L755 PolarHBondContact O-N 2.99Å; D753-L755 VanDerWaalsContact C-N 3.34Å; D753-L755 PolarHBondContact O-N 3.32Å; L755-T757 VanDerWaalsContact C-N 3.31Å; L755-T757 PolarHBondContact O-N 2.96Å; L755-A758 PolarHBondContact O-N 2.99Å; L755-L759 HydrophobicContact CD2-CD1 3.59Å; L755-L759 HydrophobicContact CD2-CG 4.03Å; L755-L759 WeakPolarHBondContact O-CG 3.42Å; L755-L759 PolarHBondContact O-N 2.92Å
756A97.3Very high97.3Very high54 Ų5488.6 Ų88.645%0.44651%0.509SS..Hα-helixtrans-60.7-40.8174.400000111.7L752 D753 L759 A760L752-A756 WeakPolarHBondContact O-CB 3.44Å; L752-A756 PolarHBondContact O-N 2.83Å; D753-A756 PolarHBondContact O-N 3.48Å; A756-L759 PolarHBondContact O-N 3.02Å; A756-A760 WeakPolarHBondContact O-CB 3.4Å; A756-A760 PolarHBondContact O-N 3.39Å
757T97.3Very high97.3Very high99 Ų9987.7 Ų87.761%0.60750%0.501SS*.Hα-helixtrans-63.5-43174.7-56.30000111.6D753 R754 L755 A760 G761D753-T757 WeakPolarHBondContact O-CB 3.3Å; D753-T757 PolarHBondContact O-N 2.92Å; D753-T757 PolarHBondContact O-OG1 3.47Å; R754-T757 PolarHBondContact O-N 3.37Å; L755-T757 VanDerWaalsContact C-N 3.31Å; L755-T757 PolarHBondContact O-N 2.96Å; T757-A760 PolarHBondContact O-N 3.01Å; T757-G761 PolarHBondContact O-N 3.28Å
758A97.7Very high97.2Very high57 Ų5788.4 Ų88.447%0.47150%0.501SS..Hα-helixtrans-64.4-42.417600000112.3R754 L755 G761 L762R754-A758 PolarHBondContact O-N 3.27Å; L755-A758 PolarHBondContact O-N 2.99Å; A758-G761 PolarHBondContact O-N 3.2Å; A758-L762 WeakPolarHBondContact O-CG 3Å; A758-L762 PolarHBondContact O-N 2.91Å
759L97.9Very high97.1Very high103 Ų10388.9 Ų88.954%0.53950%0.502SS..Hα-helixtrans-64.6-37.9174.5-71-179.5000112.4L755 A756 L762 A763L755-L759 HydrophobicContact CD2-CD1 3.59Å; L755-L759 HydrophobicContact CD2-CG 4.03Å; L755-L759 WeakPolarHBondContact O-CG 3.42Å; L755-L759 PolarHBondContact O-N 2.92Å; A756-L759 PolarHBondContact O-N 3.02Å; L759-L762 PolarHBondContact O-N 2.59Å; L759-A763 VanDerWaalsContact O-CB 3.3Å; L759-A763 WeakPolarHBondContact O-CB 3.38Å; L759-A763 PolarHBondContact O-N 3.12Å
760A97.7Very high97Very high61 Ų6195.3 Ų95.350%0.50452%0.517SS..Hα-helixtrans-64.8-39.7173.900000112.1A756 T757 A763 Q764A756-A760 WeakPolarHBondContact O-CB 3.4Å; A756-A760 PolarHBondContact O-N 3.39Å; T757-A760 PolarHBondContact O-N 3.01Å; A760-A763 PolarHBondContact O-N 3.08Å; A760-Q764 PolarHBondContact O-N 3.44Å
761G97.6Very high96.7Very high34 Ų3494 Ų9435%0.35152%0.516SS..Hα-helixtrans-59.7-52.9171.900000112.2T757 A758 A763 Q764 E765T757-G761 PolarHBondContact O-N 3.28Å; A758-G761 PolarHBondContact O-N 3.2Å; G761-A763 VanDerWaalsContact C-N 3.31Å; G761-A763 PolarHBondContact O-N 3.41Å; G761-Q764 WeakPolarHBondContact O-CB 3.05Å; G761-Q764 PolarHBondContact O-N 3.47Å; G761-E765 PolarHBondContact O-N 3.4Å
762L97.9Very high96.5Very high93 Ų9393 Ų9349%0.48751%0.513SS..Hα-helixtrans-60.3-37.9177.1-71.2169.2000112.5A758 L759 Q764 E765 V766A758-L762 WeakPolarHBondContact O-CG 3Å; A758-L762 PolarHBondContact O-N 2.91Å; L759-L762 PolarHBondContact O-N 2.59Å; L762-Q764 VanDerWaalsContact C-N 3.32Å; L762-Q764 PolarHBondContact O-N 3.32Å; L762-E765 PolarHBondContact O-N 3.29Å; L762-V766 WeakPolarHBondContact O-CB 3.41Å; L762-V766 WeakPolarHBondContact O-CG2 3.39Å; L762-V766 PolarHBondContact O-N 3.37Å
763A97.4Very high96.2Very high60 Ų6092.5 Ų92.550%0.49651%0.514SS..Hα-helixtrans-63.5-38.2174.600000112L759 A760 G761 A767L759-A763 VanDerWaalsContact O-CB 3.3Å; L759-A763 WeakPolarHBondContact O-CB 3.38Å; L759-A763 PolarHBondContact O-N 3.12Å; A760-A763 PolarHBondContact O-N 3.08Å; G761-A763 VanDerWaalsContact C-N 3.31Å; G761-A763 PolarHBondContact O-N 3.41Å; A763-A767 VanDerWaalsContact O-CB 3.25Å; A763-A767 WeakPolarHBondContact O-CB 3.24Å; A763-A767 PolarHBondContact O-N 3.14Å
764Q97.4Very high95.7Very high123 Ų12391.2 Ų91.258%0.57551%0.507SS*.Hα-helixtrans-71.4-36175.6-175.965.50.200112.4A760 G761 L762 A767 T768A760-Q764 PolarHBondContact O-N 3.44Å; G761-Q764 WeakPolarHBondContact O-CB 3.05Å; G761-Q764 PolarHBondContact O-N 3.47Å; L762-Q764 VanDerWaalsContact C-N 3.32Å; L762-Q764 PolarHBondContact O-N 3.32Å; Q764-A767 PolarHBondContact O-N 3.37Å; Q764-T768 WeakPolarHBondContact O-CB 3.48Å; Q764-T768 WeakPolarHBondContact O-CG2 3.4Å; Q764-T768 PolarHBondContact O-N 2.93Å; Q764-T768 PolarHBondContact O-OG1 3.47Å
765E97.2Very high94.9Very high124 Ų12492.9 Ų92.958%0.57951%0.513SS*.Hα-helixtrans-64.7-46.9171.4-72.4179.6-175.400111.5G761 L762 A767 T768 M769G761-E765 PolarHBondContact O-N 3.4Å; L762-E765 PolarHBondContact O-N 3.29Å; E765-A767 VanDerWaalsContact C-N 3.32Å; E765-A767 PolarHBondContact O-N 3.22Å; E765-T768 WeakPolarHBondContact CA-OG1 3.26Å; E765-T768 PolarHBondContact O-N 2.99Å; E765-T768 PolarHBondContact O-OG1 3.16Å; E765-M769 VanDerWaalsContact O-CB 3.24Å; E765-M769 WeakPolarHBondContact O-CB 3.42Å; E765-M769 PolarHBondContact O-N 3Å
766V97.5Very high94.2Very high87 Ų8795 Ų9553%0.52753%0.525SS..Hα-helixtrans-62.7-39.2174.81710000111.2L762 M769 R770L762-V766 WeakPolarHBondContact O-CB 3.41Å; L762-V766 WeakPolarHBondContact O-CG2 3.39Å; L762-V766 PolarHBondContact O-N 3.37Å; V766-M769 HydrophobicContact CG2-CE 4.44Å; V766-R770 WeakPolarHBondContact O-CB 3.38Å; V766-R770 PolarHBondContact O-N 3.48Å
767A95.6Very high93.1Very high43 Ų4395.6 Ų95.636%0.35554%0.536SS..Hα-helixtrans-64.2-47.817500000112.1A763 Q764 E765 R770 T771A763-A767 VanDerWaalsContact O-CB 3.25Å; A763-A767 WeakPolarHBondContact O-CB 3.24Å; A763-A767 PolarHBondContact O-N 3.14Å; Q764-A767 PolarHBondContact O-N 3.37Å; E765-A767 VanDerWaalsContact C-N 3.32Å; E765-A767 PolarHBondContact O-N 3.22Å; A767-R770 WeakPolarHBondContact O-CB 3.43Å; A767-R770 PolarHBondContact O-N 3.42Å; A767-T771 WeakPolarHBondContact O-CG2 3.43Å; A767-T771 PolarHBondContact O-N 3.37Å
768T93.9Very high91.6Very high58 Ų58100.2 Ų100.236%0.35654%0.542SS..Hα-helixtrans-66.1-44.8179.150.50000111.4Q764 E765 R770 T771 Q772Q764-T768 WeakPolarHBondContact O-CB 3.48Å; Q764-T768 WeakPolarHBondContact O-CG2 3.4Å; Q764-T768 PolarHBondContact O-N 2.93Å; Q764-T768 PolarHBondContact O-OG1 3.47Å; E765-T768 WeakPolarHBondContact CA-OG1 3.26Å; E765-T768 PolarHBondContact O-N 2.99Å; E765-T768 PolarHBondContact O-OG1 3.16Å; T768-R770 VanDerWaalsContact C-N 3.32Å; T768-R770 PolarHBondContact O-N 2.76Å; T768-T771 WeakPolarHBondContact O-CA 3.37Å; T768-T771 PolarHBondContact O-N 3.18Å; T768-T771 PolarHBondContact O-OG1 2.76Å; T768-Q772 PolarHBondContact O-N 2.63Å
769M96.3Very high89.6Confident106 Ų106108 Ų10852%0.52256%0.559SS.*Hα-helixtrans-55.7-44.5170.8179.1171.756.400111.5E765 V766 T771 Q772 V773E765-M769 VanDerWaalsContact O-CB 3.24Å; E765-M769 WeakPolarHBondContact O-CB 3.42Å; E765-M769 PolarHBondContact O-N 3Å; V766-M769 HydrophobicContact CG2-CE 4.44Å; M769-T771 VanDerWaalsContact C-N 3.31Å; M769-T771 PolarHBondContact O-N 2.91Å; M769-Q772 WeakPolarHBondContact O-CB 3.37Å; M769-Q772 PolarHBondContact O-N 3.42Å; M769-Q772 VanDerWaalsContact O-N 3.1Å; M769-V773 HydrophobicContact CG-CG2 4.39Å; M769-V773 WeakPolarHBondContact O-CG2 3.48Å; M769-V773 PolarHBondContact O-N 3.46Å
770R93.3Very high87.6Confident183 Ų183109 Ų10969%0.69157%0.572SS**Hα-helixtrans-61.5-35.9174.5-171.9179.5-176.2-167.62.6112V766 A767 T768 N774V766-R770 WeakPolarHBondContact O-CB 3.38Å; V766-R770 PolarHBondContact O-N 3.48Å; A767-R770 WeakPolarHBondContact O-CB 3.43Å; A767-R770 PolarHBondContact O-N 3.42Å; T768-R770 VanDerWaalsContact C-N 3.32Å; T768-R770 PolarHBondContact O-N 2.76Å; R770-N774 VanDerWaalsContact O-CB 3.27Å; R770-N774 WeakPolarHBondContact O-CB 3.25Å; R770-N774 VanDerWaalsContact O-CG 3.26Å; R770-N774 PolarHBondContact O-N 3.29Å; R770-N774 PolarHBondContact O-ND2 3.06Å
771T92.1Very high85.6Confident72 Ų72115.3 Ų115.344%0.44259%0.591SS.*Hα-helixtrans-69.5-35.8172.169.70000113A767 T768 M769 N774 R775A767-T771 WeakPolarHBondContact O-CG2 3.43Å; A767-T771 PolarHBondContact O-N 3.37Å; T768-T771 WeakPolarHBondContact O-CA 3.37Å; T768-T771 PolarHBondContact O-N 3.18Å; T768-T771 PolarHBondContact O-OG1 2.76Å; M769-T771 VanDerWaalsContact C-N 3.31Å; M769-T771 PolarHBondContact O-N 2.91Å; T771-N774 PolarHBondContact O-N 3.14Å; T771-R775 VanDerWaalsContact O-CG 3.3Å; T771-R775 WeakPolarHBondContact O-CG 3.25Å; T771-R775 PolarHBondContact O-N 3.14Å
772Q91.4Very high83.3Confident120 Ų120116.2 Ų116.256%0.56160%0.6SS**Hα-helixtrans-66.5-48.7174.8-67.4178.5300111.3T768 M769 N774 R775 L776T768-Q772 PolarHBondContact O-N 2.63Å; M769-Q772 WeakPolarHBondContact O-CB 3.37Å; M769-Q772 PolarHBondContact O-N 3.42Å; M769-Q772 VanDerWaalsContact O-N 3.1Å; Q772-N774 VanDerWaalsContact C-N 3.29Å; Q772-N774 PolarHBondContact O-N 3.25Å; Q772-R775 WeakPolarHBondContact O-CA 3.33Å; Q772-R775 WeakPolarHBondContact O-CB 3.23Å; Q772-R775 PolarHBondContact O-N 3.03Å; Q772-L776 WeakPolarHBondContact O-CG 3.28Å; Q772-L776 PolarHBondContact O-N 3.26Å
773V92.3Very high81Confident91 Ų91118.1 Ų118.155%0.55262%0.618SS**Hα-helixtrans-58.7-41.2174.4173.10000110.9M769 R775 L776 G777M769-V773 HydrophobicContact CG-CG2 4.39Å; M769-V773 WeakPolarHBondContact O-CG2 3.48Å; M769-V773 PolarHBondContact O-N 3.46Å; V773-R775 PolarHBondContact O-N 3.43Å; V773-L776 PolarHBondContact O-N 3.22Å; V773-G777 PolarHBondContact O-N 2.96Å
774N86.6Confident78.4Confident82 Ų82118 Ų11844%0.43962%0.622SS.*Hα-helixtrans-63.4-38.2173-81.8-42.5000112.9R770 T771 Q772 R778R770-N774 VanDerWaalsContact O-CB 3.27Å; R770-N774 WeakPolarHBondContact O-CB 3.25Å; R770-N774 VanDerWaalsContact O-CG 3.26Å; R770-N774 PolarHBondContact O-N 3.29Å; R770-N774 PolarHBondContact O-ND2 3.06Å; T771-N774 PolarHBondContact O-N 3.14Å; Q772-N774 VanDerWaalsContact C-N 3.29Å; Q772-N774 PolarHBondContact O-N 3.25Å; N774-R778 VanDerWaalsContact O-CB 3.24Å; N774-R778 WeakPolarHBondContact O-CB 3.48Å; N774-R778 WeakPolarHBondContact O-CG 3.47Å; N774-R778 PolarHBondContact O-N 3.37Å
775R80.7Confident76Confident200 Ų200118.4 Ų118.476%0.75564%0.636SS**Hα-helixtrans-67.1-33.7174.4-74.4172.7-176.7-148.82.7112.5T771 Q772 V773T771-R775 VanDerWaalsContact O-CG 3.3Å; T771-R775 WeakPolarHBondContact O-CG 3.25Å; T771-R775 PolarHBondContact O-N 3.14Å; Q772-R775 WeakPolarHBondContact O-CA 3.33Å; Q772-R775 WeakPolarHBondContact O-CB 3.23Å; Q772-R775 PolarHBondContact O-N 3.03Å; V773-R775 PolarHBondContact O-N 3.43Å
776L82.9Confident73.5Confident146 Ų146121.2 Ų121.276%0.76465%0.651SS**Hα-helixtrans-76.6-40.2176.5-66.5169.6000112.2Q772 V773Q772-L776 WeakPolarHBondContact O-CG 3.28Å; Q772-L776 PolarHBondContact O-N 3.26Å; V773-L776 PolarHBondContact O-N 3.22Å
777G74.9Confident70.7Confident66 Ų66120.6 Ų120.668%0.6866%0.662SS**Hα-helixtrans-70.9-29.5175.400000113.4V773 R779V773-G777 PolarHBondContact O-N 2.96Å; G777-R779 VanDerWaalsContact C-N 3.3Å; G777-R779 PolarHBondContact O-N 3.22Å
778R65.7Low68Low195 Ų195127.6 Ų127.674%0.73669%0.688SS**SBendtrans-72.583.2164.2-69-85.7-166.2-86.6-1.9109.1N774N774-R778 VanDerWaalsContact O-CB 3.24Å; N774-R778 WeakPolarHBondContact O-CB 3.48Å; N774-R778 WeakPolarHBondContact O-CG 3.47Å; N774-R778 PolarHBondContact O-N 3.37Å
779R55.3Low65.3Low221 Ų221128.4 Ų128.483%0.83470%0.7SS**  trans-45.1136.3159.3-85.3-167.3176-141.70.3108.2G777 Q781G777-R779 VanDerWaalsContact C-N 3.3Å; G777-R779 PolarHBondContact O-N 3.22Å; R779-Q781 PolarHBondContact O-N 2.94Å
780P55.3Low62.5Low124 Ų124128.6 Ų128.681%0.80571%0.712SS**  trans-56.7118.117523.9-32.8000108G782P780-G782 VanDerWaalsContact C-N 3.35Å; P780-G782 PolarHBondContact O-N 3.47Å
781Q56Low59.7Low194 Ų194129.4 Ų129.491%0.90772%0.715SS**  trans-61.6105.7165.7-94.6175.8-34.100105.7R779R779-Q781 PolarHBondContact O-N 2.94Å
782G48.6Very low56.8Low52 Ų52133.8 Ų133.854%0.53673%0.732SS.*  trans-53.4149.217600000109.5P780 G784P780-G782 VanDerWaalsContact C-N 3.35Å; P780-G782 PolarHBondContact O-N 3.47Å; G782-G784 PolarHBondContact O-N 3.43Å
783P49.8Very low54.1Low133 Ų133137.4 Ų137.486%0.86474%0.741SS**  trans-50.7115.7-174.320.7-33000109.6
784G43.9Very low51.5Low57 Ų57139.1 Ų139.159%0.58875%0.752SS**PPolyproline II helixtrans-55.8146.2179.900000109.7G782 M786G782-G784 PolarHBondContact O-N 3.43Å; G784-M786 PolarHBondContact O-N 3.04Å
785P46.3Very low49.1Very low132 Ų132142.4 Ų142.486%0.85777%0.769SS**PPolyproline II helixtrans-53.9121-177.323.3-33.6000109G787P785-G787 PolarHBondContact O-N 2.97Å; P785-G787 VanDerWaalsContact O-N 3.08Å
786M44.3Very low47.3Very low184 Ų184138.5 Ų138.591%0.90677%0.769SS**PPolyproline II helixtrans-51.6120.6-176.7-90.4-173.9161.300109.7G784 Q788G784-M786 PolarHBondContact O-N 3.04Å; M786-Q788 PolarHBondContact O-N 2.74Å; M786-Q788 VanDerWaalsContact O-N 3.15Å
787G38.7Very low45Very low74 Ų74143.7 Ų143.776%0.76378%0.778SS**PPolyproline II helixtrans-55.2121.1161.700000107.5P785 A789P785-G787 PolarHBondContact O-N 2.97Å; P785-G787 VanDerWaalsContact O-N 3.08Å; G787-A789 PolarHBondContact O-N 2.97Å
788Q39.9Very low43Very low190 Ų190143.8 Ų143.889%0.88878%0.78SS**PPolyproline II helixtrans-57.1127.3-171.1-69.7-178.4-5.200110.1M786M786-Q788 PolarHBondContact O-N 2.74Å; M786-Q788 VanDerWaalsContact O-N 3.15Å
789A36.3Very low41.9Very low75 Ų75140.5 Ų140.562%0.6278%0.784SS**PPolyproline II helixtrans-58.9142174.600000110G787 W791G787-A789 PolarHBondContact O-N 2.97Å; A789-W791 VanDerWaalsContact O-CD1 3.29Å; A789-W791 PolarHBondContact O-N 3Å
790S39.2Very low40.9Very low109 Ų109140.8 Ų140.876%0.76279%0.785SS**  trans-62.7104.6177.3-177.80000110.8
791W33Very low39.9Very low201 Ų201147 Ų14776%0.76179%0.792SS**  trans-92.796.4171.1-79.338.9000108.8A789 W793A789-W791 VanDerWaalsContact O-CD1 3.29Å; A789-W791 PolarHBondContact O-N 3Å; W791-W793 VanDerWaalsContact C-N 3.34Å; W791-W793 AromaticContact CE3-NE1 3.86Å; W791-W793 PolarHBondContact O-N 3.41Å
792M32.2Very low38.8Very low163 Ų163142.1 Ų142.180%0.80379%0.786SS**  trans-68.884.4177.4-71.7174.555.400111.7T794M792-T794 PolarHBondContact O-N 3.07Å
793W33.4Very low38.1Very low197 Ų197149 Ų14975%0.74680%0.803SS**  trans-80.296168.6-80.6104.4000111.3W791 L795W791-W793 VanDerWaalsContact C-N 3.34Å; W791-W793 AromaticContact CE3-NE1 3.86Å; W791-W793 PolarHBondContact O-N 3.41Å; W793-L795 PolarHBondContact O-N 3.35Å
794T38.2Very low37.3Very low126 Ų126146 Ų14677%0.77380%0.797SS**  trans-64.6113.9163.446.80000110.1M792M792-T794 PolarHBondContact O-N 3.07Å
795L36.2Very low37.5Very low151 Ų151149.9 Ų149.979%0.79181%0.811SS**  trans-115.1136.7172.8-82.1167.5000111.2W793 R797W793-L795 PolarHBondContact O-N 3.35Å; L795-R797 PolarHBondContact O-N 2.9Å
796P44.2Very low36.9Very low118 Ų118147.2 Ų147.277%0.76681%0.808SS**  trans-84.2114-172.331.7-34.5000114.1G798P796-G798 PolarHBondContact O-N 3.24Å
797R33.2Very low36.5Very low255 Ų255147.7 Ų147.796%0.96281%0.808SS**  trans32.476.5138.1-152.1-179.1-132.4-138.24.6120.1L795L795-R797 PolarHBondContact O-N 2.9Å
798G33.2Very low36.4Very low69 Ų69155.1 Ų155.171%0.71181%0.813SS**  trans89.9-175.8147.700000117.5P796P796-G798 PolarHBondContact O-N 3.24Å
799P42.8Very low36.2Very low126 Ų126154.3 Ų154.382%0.81881%0.809SS**  cis-108.1-179.611.241-34.4000115.6
800R34.7Very low36.5Very low227 Ų227158.5 Ų158.586%0.85782%0.82SS**  trans-70.5148.1176.5-72.6168.7-84.7-97.8-1113.3
801W34.8Very low37.1Very low253 Ų253158.8 Ų158.896%0.95882%0.819SS**  trans-134161.8140.3-80.9104000110.1
802A32.9Very low37.1Very low93 Ų93156.9 Ų156.977%0.76981%0.813SS**  trans-104.3178.8-155.900000115.2
803H33.6Very low37.4Very low196 Ų196160.5 Ų160.591%0.90782%0.818SS**  trans-58.3148.4-178.1-62-92.7000114.5
804G31.3Very low37.4Very low70 Ų70158.6 Ų158.672%0.72281%0.81SS**  trans-167102.6164.400000111.8G806G804-G806 PolarHBondContact O-N 3.22Å
805P48.7Very low37.4Very low138 Ų138161.5 Ų161.590%0.89682%0.815SS**  trans-78.4117.7176.230.4-31.8000110.5
806G33.9Very low37.3Very low77 Ų77163.1 Ų163.179%0.79482%0.816SS**  trans-133.690.2-172.400000114.2G804 R808G804-G806 PolarHBondContact O-N 3.22Å; G806-R808 PolarHBondContact O-N 3.12Å
807H37.1Very low37Very low193 Ų193160.5 Ų160.589%0.89481%0.811SS**  trans-70.9117.5165.1-118.1-83000109.7
808R36.6Very low37.6Very low230 Ų230154.7 Ų154.787%0.86881%0.806SS**  trans-169.8132.4149.6-102.4147.2-160.2-101.12.5113.1G806G806-R808 PolarHBondContact O-N 3.12Å
809H35.2Very low37.9Very low173 Ų173157.9 Ų157.980%0.80181%0.812SS**  trans-2.1149.7169.1-50-72.7000123
810L43Very low37.8Very low163 Ų163163 Ų16385%0.85382%0.815SS**PPolyproline II helixtrans-63.3145.8168.7-60.278.3000112.5
811P51.3Low38.2Very low115 Ų115158.1 Ų158.175%0.74781%0.812SS**PPolyproline II helixtrans-85135.4145.433.5-28.9000110.8
812Y32.8Very low38.4Very low161 Ų161155.1 Ų155.163%0.63181%0.806SS**PPolyproline II helixtrans-78.8126.1176.8170.1-88.9000111.1R814Y812-R814 HydrophobicContact CD1-CB 4.26Å; Y812-R814 HydrophobicContact CE1-CB 3.61Å; Y812-R814 HydrophobicContact CE2-CB 4.27Å; Y812-R814 PolarHBondContact OH-NE 3.12Å; Y812-R814 PolarHBondContact OH-NH1 3.25Å; Y812-R814 PolarHBondContact OH-NH2 3.34Å; Y812-R814 VanDerWaalsContact OH-NH2 3.12Å
813W38Very low38.8Very low240 Ų240157 Ų15791%0.90981%0.81SS**  trans-127.6125.3161.4-92125000112.2
814R34.5Very low39.1Very low156 Ų156157 Ų15759%0.58981%0.807SS**  trans-133.7101.3-171.9-171.2-96.5-68.7-83.48.3110.3Y812Y812-R814 HydrophobicContact CD1-CB 4.26Å; Y812-R814 HydrophobicContact CE1-CB 3.61Å; Y812-R814 HydrophobicContact CE2-CB 4.27Å; Y812-R814 PolarHBondContact OH-NE 3.12Å; Y812-R814 PolarHBondContact OH-NH1 3.25Å; Y812-R814 PolarHBondContact OH-NH2 3.34Å; Y812-R814 VanDerWaalsContact OH-NH2 3.12Å
815Q37.9Very low39.4Very low188 Ų188161.7 Ų161.788%0.87981%0.814SS**  trans-125.5144.1159-72.7-140.628.100109.8
816K34.2Very low38.9Very low184 Ų184163.2 Ų163.280%0.881%0.814SS**PPolyproline II helixtrans-101.7122.9-175.4-71.8177.9172.8-179.60110.1
817G37.8Very low38.9Very low64 Ų64171.2 Ų171.266%0.6682%0.821SS**PPolyproline II helixtrans-76.9141.9156.600000110.5T819G817-T819 PolarHBondContact O-N 3.41Å
818P44.8Very low38.7Very low133 Ų133165 Ų16586%0.86481%0.809SS**PPolyproline II helixtrans-73.5121.7-177.128.3-34000112.2
819T39.1Very low38.5Very low136 Ų136163.5 Ų163.583%0.83481%0.811SS**PPolyproline II helixtrans-77.2122.8175-42.10000110.4G817G817-T819 PolarHBondContact O-N 3.41Å
820R40.8Very low38.4Very low234 Ų234158.7 Ų158.788%0.88381%0.809SS**PPolyproline II helixtrans-66.6138.4171.1-76.3-170.8174.3-155.5-0.2110.4
821P44.1Very low37.9Very low123 Ų123160.8 Ų160.880%0.79982%0.815SS**PPolyproline II helixtrans-74.3141.4-176.329.7-34.8000112.4
822K39.5Very low36.9Very low191 Ų191160.6 Ų160.683%0.8382%0.816SS**PPolyproline II helixtrans-84.1135.1158.2-67.6-177.5177.6-177.10108.4K824K822-K824 PolarHBondContact O-N 3.24Å
823P41.1Very low36.7Very low132 Ų132158.1 Ų158.186%0.85782%0.821SS**PPolyproline II helixtrans-65.2130.6168.228.3-32.8000109.4
824K40Very low36.4Very low195 Ų195157.5 Ų157.585%0.84882%0.818SS**  trans-106137.8166.9-83.8-172.4172.2-174.60109.1K822K822-K824 PolarHBondContact O-N 3.24Å
825I36.8Very low36.1Very low169 Ų169154.9 Ų154.987%0.86783%0.83SS**  trans-64.1135.3171.3-61.9161.1000108.5
826L38.4Very low35.8Very low171 Ų171149.5 Ų149.590%0.89583%0.825SS**  trans-112.1132.2165.7-87.7167.9000109.5
827R33.6Very low35.6Very low245 Ų245148.2 Ų148.293%0.92583%0.827SS**  trans-123.3132.1171176.3-151.7-77.7-119.76.2106.4
828G32.2Very low35.3Very low63 Ų63153.1 Ų153.165%0.64984%0.837SS**  trans159.9141.6166.700000114.2
829Q32.7Very low34.6Very low197 Ų197155.6 Ų155.692%0.92184%0.837SS**  trans50.4122.9165-77.2159.5-67.400118.3
830G33.7Very low34.1Very low73 Ų73152.4 Ų152.475%0.75383%0.831SS**  cis99.189.3-1.800000113.4
831E32.2Very low33.7Very low207 Ų207149 Ų14997%0.96783%0.83SS**  trans-144.8154171.2-126.7162.7-14200109
832S30.2Very low33.1Very low111 Ų111148 Ų14878%0.77683%0.826SS**  trans-125.9134.8-168.4172.90000111.6
833C29.4Very low32.5Very low109 Ų109150.7 Ų150.774%0.73683%0.831SS**  trans-174.8150.6136.9-103.10000113.7
834R31.2Very low31.9Very low227 Ų227147.6 Ų147.686%0.85782%0.823SS**  trans42.9111.1146.8-54.4-67.3-164.1-140.2-3.2117.9
835A28.4Very low31.5Very low101 Ų101145 Ų14584%0.83582%0.824SS**  81.9143.566.600000114.5
836G31.4Very low31.3Very low75 Ų75141.2 Ų141.277%0.77382%0.818SS**  trans127.4111.2-17900000111.4
837D31Very low30.9Very low157 Ų157144.5 Ų144.584%0.8482%0.818SS**  trans-57.6152157.5-56.8-91.4000109.9
838L31.3Very low30.7Very low166 Ų166145 Ų14587%0.86982%0.82SS**  -167.9155.8107.4-102.7168.7000112.8
839Q29.8Very low30.6Very low185 Ų185146.3 Ų146.386%0.86483%0.825SS**  trans-74152.6170.9-58.3166.31.600110.4
840G28.6Very low30.2Very low69 Ų69145.1 Ų145.171%0.71181%0.812SS**  trans118.5141.7131.300000119
841L32Very low30.7Very low162 Ų162147.4 Ų147.485%0.84881%0.813SS**  trans64.281.3141.5-55.6178.2000118.4
842S30.4Very low30.8Very low104 Ų104143.4 Ų143.473%0.72780%0.798SS**  22132.698.6-47.50000118.9
843R28.4Very low32Very low246 Ų246142 Ų14293%0.92879%0.786SS**  trans76.5141172.5-54.3169.2161.1-175.2-5.3114.3
844G28.6Very low32.9Very low68 Ų68142.1 Ų142.170%0.70179%0.786SS**  cis144.6-139.64.800000110.4
845T31.1Very low32.9Very low141 Ų141138.3 Ų138.387%0.86578%0.782SS**  trans98.2157159.1-45.30000117.9
846A32.4Very low33Very low88 Ų88137.6 Ų137.673%0.72778%0.776SS**  trans66.4111.7-179.200000115.8
847R30.3Very low33.5Very low241 Ų241139.7 Ų139.791%0.90978%0.776SS**  cis76120.923.4-58-171.2178.9-107.49.1118
848R29.8Very low34Very low255 Ų255137.9 Ų137.996%0.96277%0.773SS**  trans-136.5167.8140.4-92-167.1171.7-161.6-1.7110.1
849A28.6Very low33.9Very low90 Ų90134.7 Ų134.774%0.74477%0.771SS**  trans-66.6160-173.200000113.8
850R25.7Very low33.7Very low172 Ų172134.7 Ų134.765%0.64977%0.771SS**  cis73.1131.835.7-135.1-161.9177.41680.9113.7L852R850-L852 PolarHBondContact NE-O 3.42Å; R850-L852 PolarHBondContact NH2-O 3.48Å
851P44.3Very low34.5Very low121 Ų121136.9 Ų136.979%0.78677%0.772SS**  -130.6167.586.27.416.5000114
852L32.8Very low34.7Very low123 Ų123135.4 Ų135.464%0.64477%0.773SS**  cis-149-142.4-25.7-123.9176000112.3R850R850-L852 PolarHBondContact NE-O 3.42Å; R850-L852 PolarHBondContact NH2-O 3.48Å
853P55.3Low34.4Very low83 Ų83134.1 Ų134.154%0.53978%0.775SS.*  trans-109.4-165.9-159.248.9-36.6000112.5
854P49.5Very low34.4Very low111 Ų111130.1 Ų130.172%0.72177%0.772SS**  cis-141.7-174.712.548.6-29.9000115.2
855D31.8Very low34.5Very low146 Ų146134.6 Ų134.678%0.78177%0.774SS**  cis-156.1177.2-17.6-127.9-52.2000114
856A30Very low34.6Very low86 Ų86132.8 Ų132.871%0.71177%0.766SS**  trans70152.6144.900000123.1
857P40.7Very low34.6Very low119 Ų119133.4 Ų133.477%0.77377%0.765SS**  trans-126.5-149.8-173.447-29.9000111.5
858P42.3Very low34.3Very low119 Ų119127.3 Ų127.377%0.77376%0.759SS**  cis-120.8176.4-38.237.6-23.6000112.4
859A28.4Very low34.6Very low100 Ų100121 Ų12183%0.82675%0.754SS**  trans178.8159.314400000112.5
860E26.1Very low34.8Very low185 Ų185125.2 Ų125.286%0.86476%0.758SS**  trans-91.8-155161.8-60.1-173.294.700111.2
861P45.9Very low34.9Very low114 Ų114125.4 Ų125.474%0.7477%0.767SS**  -99.4-155.8-129.543.5-25000111.1
862P36.6Very low34.2Very low132 Ų132125.9 Ų125.986%0.85776%0.762SS**  cis-107.8-157.3-27.139.6-26000109.4
863G24.6Very low34Very low76 Ų76127.3 Ų127.378%0.78477%0.77SS**  trans174.8120.3168.200000115.7
864L27.8Very low32.6Very low162 Ų162129.3 Ų129.385%0.84879%0.785SS**  trans-80.2144.9169.6-71.4162.1000111.1
865H30Very low31.6Very low163 Ų163129.3 Ų129.376%0.75579%0.788SS**  trans61.9131.9150.8-84.8-99.5000121.9
866C33.5Very low31.3Very low102 Ų102128.7 Ų128.769%0.68979%0.79SS**  trans47.1135.8137.6-54.80000119.8
867S32Very low31.7Very low101 Ų101129.8 Ų129.871%0.70679%0.79SS**  -171165.155.2-56.30000112.7
868S24.8Very low31Very low113 Ų113129.3 Ų129.379%0.7979%0.789SS**  trans-149.2152.2153.359.20000110.8
869S35.8Very low30.2Very low123 Ų123128.6 Ų128.686%0.8679%0.786SS**  trans67.9100.6-177.5-60.50000116.7
870Q33.5Very low30.1Very low178 Ų178132.4 Ų132.483%0.83279%0.786SS**  trans-138.4146.3160.5-72.1-16931.200110.5
871Q27.7Very low30.1Very low176 Ų176128.2 Ų128.282%0.82278%0.784SS**  trans-153.5135.5169.8-79.8-161.8-47.600108.7
872L28.3Very low29.2Very low132 Ų132127.1 Ų127.169%0.69178%0.784SS**  cis-148.6132.7-11.8-89.3169.7000110.6
873L30.3Very low29.8Very low153 Ų153126.5 Ų126.580%0.80178%0.78SS**  trans46.4119.6141.4-54.9175.2000122
874S26Very low30.4Very low124 Ų124129 Ų12987%0.86778%0.783SS**  trans-166169138.8-870000112.3
875S27.3Very low30.3Very low112 Ų112124.7 Ų124.778%0.78377%0.77SS**  trans-144.2167.1-162-49.40000110.7
876T25.9Very low30.1Very low132 Ų132125.7 Ų125.781%0.8178%0.775SS**  cis-122.8-75.215.932.70000117.6
877P38.3Very low30.4Very low109 Ų109125.9 Ų125.971%0.70878%0.775SS**  trans-130.5169.5-131.438.1-20.5000118.1
878S25.3Very low30.1Very low110 Ų110128.4 Ų128.477%0.76978%0.78SS**  trans84.1136.3147.2-1380000116.9
879C25.3Very low30.3Very low104 Ų104130.6 Ų130.670%0.70378%0.781SS**  cis-167.6179.2-19.7-1160000109
880H27.1Very low30Very low179 Ų179127.9 Ų127.983%0.82977%0.767SS**  trans-35.5141.8167.8-47.2-89.8000116.5
881A27.1Very low29.8Very low98 Ų98127.6 Ų127.681%0.8177%0.765SS**  -163.9152112.600000112.3
882A26.8Very low30.1Very low90 Ų90126.2 Ų126.274%0.74477%0.769SS**  trans-91.2178.6162.600000109.3
883P49.3Very low30.1Very low119 Ų119123.3 Ų123.377%0.77377%0.771SS**  trans-81.8176.1-155.237.7-40.2000114.2
884P35.8Very low30Very low130 Ų130119.3 Ų119.384%0.84477%0.766SS**  -133.5179.997.539.5-30.5000114.3
885A25.6Very low30.3Very low71 Ų71121.9 Ų121.959%0.58776%0.764SS**  trans-95.7159.5-166.700000115.1
886H26.1Very low30.5Very low183 Ų183124.8 Ų124.885%0.84777%0.765SS**  trans66.9176.4157.3-54-42.5000115.9
887P39.3Very low30.6Very low107 Ų107123.3 Ų123.370%0.69576%0.761SS**  cis-126.5168.3-817.47.6000115.7
888L27.4Very low30.6Very low154 Ų154124.2 Ų124.281%0.80677%0.766SS**  trans36.5151137.8-58.1169.3000123.5
889L29.1Very low30.9Very low158 Ų158126.5 Ų126.583%0.82777%0.769SS**  trans96.6143.5133.7-125.275.8000120.9
890A27.9Very low31.4Very low67 Ų67126.2 Ų126.255%0.55477%0.766SS**  trans70.4112.5146.400000121.4
891H29.6Very low31.7Very low172 Ų172124 Ų12480%0.79677%0.768SS**  5.7130.1122.9-27.7-68.9000115.6
892T33.6Very low31.9Very low146 Ų146127.2 Ų127.290%0.89677%0.77SS**  -176.3169.470.640.50000109.2
893G29.6Very low32.4Very low72 Ų72129.4 Ų129.474%0.74277%0.774SS**  cis163.5152.7-2.400000110.7
894G27.7Very low31.8Very low68 Ų68129.7 Ų129.770%0.70178%0.776SS**  trans85.4147.1-175.400000113.8
895H31.8Very low31.4Very low178 Ų178128 Ų12882%0.82477%0.773SS**  cis-148.7144.83.5-93.3-78.3000112.9
896Q31.8Very low31.6Very low173 Ų173128.6 Ų128.681%0.80878%0.778SS**  trans62.5138.1164.1-52.3-48.685.700120.9
897S28.5Very low31.9Very low102 Ų102127.9 Ų127.971%0.71378%0.779SS**  trans-92.7152.8179.4-44.60000112.8
898P37.1Very low31.9Very low127 Ų127128 Ų12883%0.82578%0.78SS**  trans-81.6127.1162.132.6-30.8000110.8
899L33Very low31.9Very low159 Ų159128.7 Ų128.783%0.83278%0.784SS**  trans-140.6167.2174.4-90.6179.8000109.4
900P35.9Very low31.9Very low98 Ų98130.1 Ų130.164%0.63679%0.786SS**  trans-83.7165.6-132.630.2-35.4000115.8
901P33.6Very low31.9Very low133 Ų133130.4 Ų130.486%0.86480%0.796SS**  trans-64.3134.2176.127.4-35.7000112.1
902L30.3Very low31.8Very low165 Ų165127.4 Ų127.486%0.86480%0.801SS**  trans-126.2152.3174.6-94.1164.5000110.7
903V36.8Very low31.6Very low136 Ų136125.9 Ų125.982%0.82480%0.796SS**  trans-77135.1-172-179.30000111.5
904P37Very low32Very low125 Ų125128.2 Ų128.281%0.81280%0.798SS**  trans-89.1134.4165.69.97.6000111.5
905A28.3Very low32.7Very low93 Ų93131 Ų13177%0.76980%0.804SS**  trans-119132.2171.700000111.7
906A29.6Very low32.5Very low85 Ų85127.5 Ų127.570%0.70281%0.806SS**  trans55.6114.2150.800000121.9
907L31.4Very low32.3Very low167 Ų167124.4 Ų124.487%0.87481%0.81SS**  trans72.6167.9138-59.4173.2000118.9
908P40.1Very low32.2Very low109 Ų109125.2 Ų125.271%0.70882%0.815SS**  cis-126.4167.1-11.139-25.6000114.9
909L27.1Very low31.9Very low169 Ų169123.9 Ų123.989%0.88582%0.815SS**  trans-168.5171.7130.6-109.6159.7000112.4
910Q28.8Very low31.8Very low188 Ų188124.2 Ų124.288%0.87982%0.818SS**  trans-119.9155.8-161-60.2160.83.300112.1
911G28.1Very low31.6Very low74 Ų74123.2 Ų123.276%0.76382%0.818SS**  trans177.6118.9167.300000116.7
912A27Very low31.4Very low109 Ų109124 Ų12490%0.90181%0.814SS**  trans66.6134.8162.500000120.4
913S29.7Very low31.5Very low113 Ų113122.2 Ų122.279%0.7981%0.81SS**  trans-106.8172.3171.5-40.10000111.1
914P38.4Very low31.8Very low121 Ų121120.4 Ų120.479%0.78680%0.801SS**  -131.2-166.9125.844.2-35.2000110.7
915P41.6Very low31.4Very low127 Ų127120.6 Ų120.683%0.82580%0.801SS**  -113.3166.2-103.627.6-7.4000114.4
916A28.3Very low31.4Very low105 Ų105122 Ų12287%0.86881%0.805SS**  trans-91.6154.1-179.800000113.6
917A27Very low31.2Very low107 Ų107120.9 Ų120.988%0.88480%0.801SS**  trans-135.4136.5152.700000107.7
918S28.1Very low31.1Very low119 Ų119119.8 Ų119.883%0.83280%0.801SS**  trans-120.1141.3-16253.90000113.5
919A29.8Very low30.7Very low99 Ų99118.7 Ų118.782%0.81880%0.802SS**  trans-159.481161.900000113.1
920D30.8Very low31.6Very low167 Ų167115.7 Ų115.789%0.89379%0.792SS**  trans53.3165.6135.3-105.7-53.2000126.3
921A32.3Very low31.6Very low77 Ų77114.6 Ų114.664%0.63679%0.792SS**  trans75.197.4158.800000122
922D29.8Very low31.6Very low148 Ų148114.7 Ų114.779%0.79179%0.793SS**  57.694.7119.7-60.1-31.6000123.2
923V31.3Very low31.9Very low128 Ų128117.4 Ų117.478%0.77679%0.791SS**  22.7144.392.7142.20000117.8
924P44.1Very low32.6Very low98 Ų98117.2 Ų117.264%0.63679%0.787SS**  cis-147.6171.7-4.439.2-17.8000119.7
925T28.3Very low32.1Very low130 Ų130120 Ų12080%0.79879%0.79SS**  trans57.5147140.553.10000125
926S28.5Very low31.5Very low122 Ų122124.5 Ų124.585%0.85379%0.79SS**  trans77.7139.1155.4-151.20000116.4
927G25.5Very low32Very low61 Ų61124.6 Ų124.663%0.62978%0.782SS**  cis158.8-177.8-3.500000111.6
928V29.6Very low32Very low144 Ų144128.8 Ų128.887%0.87378%0.78SS**  trans71.1128.1168.7-174.30000116.9
929A31.6Very low32.2Very low87 Ų87131.7 Ų131.772%0.71978%0.78SS**  trans-109.3165.2157.700000108
930P44.4Very low32.6Very low105 Ų105132.1 Ų132.168%0.68278%0.775SS**  -159.2-174.47844-23.4000117.2
931D30Very low32.5Very low165 Ų165129 Ų12988%0.88277%0.767SS**  trans58.6144.2146.9-75.2-53.2000123.7
932G27.8Very low32.3Very low76 Ų76130.6 Ų130.678%0.78477%0.773SS**  trans155.891.1166.500000117.2
933I32.7Very low32.4Very low166 Ų166130.7 Ų130.785%0.85177%0.773SS**  trans-128162.7158.410.9174.3000107.2
934P45Very low32.5Very low110 Ų110132.7 Ų132.771%0.71478%0.778SS**  cis-133-169.3143-26000114.1
935E28.3Very low31.7Very low180 Ų180131.8 Ų131.884%0.84179%0.787SS**  -175.1155.3129.3-100.1-77.276.300112.6
936R29.3Very low31.8Very low221 Ų221128.6 Ų128.683%0.83478%0.78SS**  trans-128.2176.2165.1-120-171.6175.6-175.1-0.9105.6
937P38.3Very low31.9Very low106 Ų106129.2 Ų129.269%0.68878%0.778SS**  cis-134.8-160.15.538.4-16.9000113
938K27.1Very low32.3Very low195 Ų195134.6 Ų134.685%0.84879%0.787SS**  143.4112116-159.4152.6-174173.40114.9
939E31.3Very low32.3Very low180 Ų180138.7 Ų138.784%0.84179%0.787SS**  trans-71.7167.3161-79.3172.8117.700110.7
940P39.8Very low32.4Very low109 Ų109138.2 Ų138.271%0.70878%0.783SS**  cis-158.6175.640.345.4-23.6000121.5
941S27.1Very low31.7Very low102 Ų102140.1 Ų140.171%0.71379%0.786SS**  trans77.8158.313873.90000122.7
942S29.6Very low31.7Very low110 Ų110139 Ų13977%0.76978%0.775SS**  trans73.5155.6165.576.70000117.8
943L31.5Very low31.6Very low150 Ų150143 Ų14379%0.78577%0.774SS**  cis-177.5159.2-47.3-112.5169.3000107.2
944L34Very low31.4Very low169 Ų169143 Ų14389%0.88577%0.77SS**  trans65.3158.1-176.6-72.468.1000114.4
945G26.3Very low30.7Very low80 Ų80143.5 Ų143.583%0.82577%0.766SS**  cis154107.6-9.800000114
946G30.5Very low31Very low63 Ų63145.6 Ų145.665%0.64977%0.767SS**  trans154.1130.3179.800000108.7
947V31.1Very low30.9Very low135 Ų135139.1 Ų139.182%0.81877%0.768SS**  cis63117.635.5-163.20000109.3
948Q32.8Very low30.4Very low173 Ų173137.5 Ų137.581%0.80877%0.771SS**  cis-147.4170.442.7-158.3147.1-67.600116
949R31Very low30.6Very low231 Ų231137.4 Ų137.487%0.87277%0.773SS**  trans-44169.7155.8-57.9165.6160.7175.7-11.4112.3
950A31.8Very low30.7Very low77 Ų77136.8 Ų136.864%0.63677%0.77SS**  cis-170.9169.635.900000115.4
951L31.6Very low30.4Very low145 Ų145143 Ų14376%0.75978%0.779SS**  trans56.7123.1148.5-90.282000118.9
952Q28.1Very low30.8Very low140 Ų140144.3 Ų144.365%0.65478%0.779SS**  85.3101.584.1-151.298.763.200109.2
953E27.1Very low31.4Very low162 Ų162145 Ų14576%0.75778%0.78SS**  61.687.471-174.2-168.5-14300111.8
954E28.6Very low31.6Very low165 Ų165148.5 Ų148.577%0.77178%0.783SS**  -157.3119.9128.3-103.3-173.5-178.800105.4
955L29.5Very low31.5Very low120 Ų120152.1 Ų152.163%0.62879%0.785SS**  90.7156.178.9-170.663.8000110.4
956W33.6Very low31.7Very low225 Ų225152 Ų15285%0.85278%0.784SS**  trans67.4121.8-172.1-35.498.7000112.8
957G27.6Very low31.7Very low84 Ų84152.9 Ų152.987%0.86679%0.785SS**  cis120.71006.500000109.9
958G27.8Very low31.9Very low72 Ų72159 Ų15974%0.74280%0.804SS**  trans164.6100.3-17700000114.2
959E31.2Very low31.8Very low193 Ų193158.4 Ų158.490%0.90280%0.804SS**  trans21.4110.6148.6-62.7171.6108.900121.1
960H34.2Very low31.8Very low167 Ų167154.5 Ų154.577%0.77380%0.801SS**  26.6118.3123.9-121-70.8000119.4
961R32.8Very low31.8Very low239 Ų239158.8 Ų158.890%0.90281%0.81SS**  trans-153.6135.8136.4-83.4-140.9169.2-148.2-7.4113.1
962D35.6Very low31.9Very low131 Ų131159.6 Ų159.670%0.70181%0.813SS**  trans-75.9139.6165.4-61.5-60.9000111.7
963P43.6Very low32.1Very low123 Ų123160.9 Ų160.980%0.79982%0.823SS**  trans-91.790153.833.4-26.9000109.7W965P963-W965 PolarHBondContact O-N 3.03Å
964R35.3Very low32.4Very low225 Ų225160.8 Ų160.885%0.84983%0.827SS**  trans-73.7103.9176.5-176.5-166.6-59.5-158.50.5111.1
965W31.5Very low32.7Very low244 Ų244160.5 Ų160.592%0.92483%0.831SS**  trans-140.2117.5159.6-81.1106.3000111.4P963P963-W965 PolarHBondContact O-N 3.03Å
966G29.3Very low32.9Very low77 Ų77163.6 Ų163.679%0.79485%0.847SS**  trans-140.9115.8165.500000107.1
967A30.9Very low32.9Very low82 Ų82158.5 Ų158.568%0.67885%0.846SS**  trans-13686.1-179.500000108.9
968H34.8Very low33.4Very low265 Ų265165.3 Ų165.3100%1.22785%0.845SS**  trans-165.10152.1-109-61.2000110.4

Retrieved 968 of 968 residues in 105 ms (Link to these results)