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Adenylate kinase 2, mitochondrial

Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP. Plays an important role in cellular energy homeostasis and in adenine nucleotide metabolism. Adenylate kinase activity is critical for regulation of the phosphate utilization and the AMP de novo biosynthesis pathways. Plays a key role in hematopoiesis.

AlphaFold DB (F8W1A4), UniProt , Accession A0A096NB51, Species PAPAN (Papio anubis, Olive baboon), Gene AK2, Length 232 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
1M45.9Very low44Very low242 Ų242133.5 Ų133.5100%1.19282%0.818SS**  0108.30-8516471.500107.4
2A42.8Very low44.1Very low96 Ų96134.8 Ų134.879%0.79380%0.799SS**  trans-71136.2171.700000108.6S4A2-S4 PolarHBondContact O-N 3.12Å
3P47.3Very low44.9Very low122 Ų122129.8 Ų129.879%0.79277%0.772SS**  trans-66.7123.4174.426.6-30.6000108.9V5P3-V5 PolarHBondContact O-N 3.21Å
4S43Very low46.9Very low116 Ų116130.6 Ų130.681%0.81176%0.761SS**  trans-63.4113.5171.748.30000109A2A2-S4 PolarHBondContact O-N 3.12Å
5V46.7Very low49.7Very low132 Ų132123.1 Ų123.180%0.872%0.723SS**PPolyproline II helixtrans-64124167.5-175.70000107.1P3 A7P3-V5 PolarHBondContact O-N 3.21Å; V5-A7 PolarHBondContact O-N 3.36Å
6P48.1Very low52.5Low114 Ų114115.4 Ų115.474%0.7468%0.677SS**PPolyproline II helixtrans-61.4129.3173.123.8-29.5000108.3A8P6-A8 PolarHBondContact O-N 3.3Å; P6-A8 VanDerWaalsContact O-N 3.12Å
7A45Very low55.1Low95 Ų95111.8 Ų111.879%0.78565%0.649SS**PPolyproline II helixtrans-52.7121.2172.700000108.1V5 E9V5-A7 PolarHBondContact O-N 3.36Å; A7-E9 PolarHBondContact O-N 3.43Å; A7-E9 VanDerWaalsContact O-N 3.17Å
8A41.8Very low57.4Low97 Ų97105.6 Ų105.680%0.80261%0.613SS**PPolyproline II helixtrans-54.4123.5174.600000108.1P6P6-A8 PolarHBondContact O-N 3.3Å; P6-A8 VanDerWaalsContact O-N 3.12Å
9E41.3Very low59.6Low170 Ų170100.1 Ų100.179%0.79458%0.581SS**PPolyproline II helixtrans-54.3141.3169-65.8-172.4168.300108.2A7 E11A7-E9 PolarHBondContact O-N 3.43Å; A7-E9 VanDerWaalsContact O-N 3.17Å; E9-E11 PolarHBondContact O-N 3.44Å
10P38.5Very low61.4Low88 Ų8895.1 Ų95.157%0.57155%0.552SS**PPolyproline II helixtrans-55.7120.1178.521.8-30.4000108.3Y12P10-Y12 HydrophobicContact CG-CE2 4Å; P10-Y12 WeakPolarHBondContact O-CD2 3.49Å; P10-Y12 WeakPolarHBondContact O-CE2 3.34Å; P10-Y12 PolarHBondContact O-N 2.8Å
11E43.2Very low63.1Low197 Ų19790.8 Ų90.892%0.92153%0.527SS*.  trans-66.387.6176.6-159.6173.3-15500106.9E9E9-E11 PolarHBondContact O-N 3.44Å
12Y45.2Very low65.4Low149 Ų14979.6 Ų79.658%0.58447%0.474SS*.  trans-57137.4176-66.3-84.6000107.6P10 K14P10-Y12 HydrophobicContact CG-CE2 4Å; P10-Y12 WeakPolarHBondContact O-CD2 3.49Å; P10-Y12 WeakPolarHBondContact O-CE2 3.34Å; P10-Y12 PolarHBondContact O-N 2.8Å; Y12-K14 PolarHBondContact O-N 3.46Å
13P55.1Low67.8Low69 Ų6975.3 Ų75.345%0.44844%0.438SS..  trans-49133170.8-2029.2000107.9G15P13-G15 PolarHBondContact O-N 3.06Å
14K72.3Confident69.8Low142 Ų14270.3 Ų70.362%0.61741%0.406SS*.  trans-47.7110173.7-175.1172.8179.8174.20107.2Y12 T231Y12-K14 PolarHBondContact O-N 3.46Å; K14-T231 WeakPolarHBondContact CE-O 3.33Å; K14-T231 PolarHBondContact NZ-O 3.41Å
15G88.9Confident72.1Confident18 Ų1865.4 Ų65.419%0.18637%0.373CS..  trans-64.8173-176.500000111P13 N94P13-G15 PolarHBondContact O-N 3.06Å; G15-N94 CarbonylContact C-O 3.51Å; G15-N94 VanDerWaalsContact CA-O 3.22Å; G15-N94 WeakPolarHBondContact CA-O 3.42Å
16I94.8Very high74.3Confident0 Ų059.2 Ų59.20%034%0.336CS..  trans-137.1140.1-171.6-164.4164.8000112.7A18 F39 V41 N94 G95 F96 L97 D123 F227 T231I16-A18 HydrophobicContact CD1-CB 4.27Å; I16-A18 HydrophobicContact CG1-CB 4.12Å; I16-F39 HydrophobicContact CB-CD1 4.34Å; I16-F39 HydrophobicContact CB-CG 4.48Å; I16-F39 HydrophobicContact CG2-CB 3.8Å; I16-F39 HydrophobicContact CG2-CD1 4.13Å; I16-F39 HydrophobicContact CG2-CD2 4.19Å; I16-F39 HydrophobicContact CG2-CG 3.78Å; I16-V41 HydrophobicContact CG2-CG1 4.23Å; I16-V41 HydrophobicContact CG2-CG2 4.2Å; I16-V41 WeakPolarHBondContact O-CG1 3.45Å; I16-N94 PolarHBondContact N-O 3.41Å; I16-G95 CarbonylContact O-C 3.52Å; I16-G95 WeakPolarHBondContact O-CA 3.34Å; I16-F96 PolarHBondContact O-N 3.38Å; I16-F96 VanDerWaalsContact O-O 3.12Å; I16-L97 HydrophobicContact CG2-CD2 4.42Å; I16-D123 HydrophobicContact CG1-CB 4.14Å; I16-F227 HydrophobicContact CD1-CB 3.58Å; I16-F227 HydrophobicContact CD1-CD1 3.35Å; I16-F227 HydrophobicContact CD1-CD2 3.49Å; I16-F227 VanDerWaalsContact CD1-CD2 3.49Å; I16-F227 HydrophobicContact CD1-CE1 3.72Å; I16-F227 HydrophobicContact CD1-CE2 3.87Å; I16-F227 HydrophobicContact CD1-CG 3.2Å; I16-F227 HydrophobicContact CD1-CZ 3.97Å; I16-T231 HydrophobicContact CD1-CG2 4.26Å; I16-T231 HydrophobicContact CG1-CG2 4.37Å
17R96.6Very high76.4Confident54 Ų5454.8 Ų54.820%0.20431%0.311CS..EExtended strand (participates in β ladder)trans-110.1100.8169.3-64.5175.8-174.378-2.1108.3F96 E120 K121 L122 D123 S124R17-F96 WeakPolarHBondContact CA-O 3.46Å; R17-F96 HydrophobicContact CB-CD1 4.34Å; R17-F96 HydrophobicContact CB-CE1 3.88Å; R17-F96 HydrophobicContact CB-CE2 4.12Å; R17-F96 HydrophobicContact CB-CZ 3.75Å; R17-F96 HydrophobicContact CG-CD1 3.88Å; R17-F96 HydrophobicContact CG-CE1 3.58Å; R17-F96 HydrophobicContact CG-CZ 4.01Å; R17-E120 IonicContact CZ-OE1 2.78Å; R17-E120 VanDerWaalsContact CZ-OE1 3.31Å; R17-E120 IonicContact NE-OE1 3.75Å; R17-E120 PolarHBondContact NE-OE1 3.06Å; R17-E120 IonicContact NH2-OE1 3.61Å; R17-E120 PolarHBondContact NH2-OE1 2.95Å; R17-K121 WeakPolarHBondContact CD-O 3.4Å; R17-L122 HydrophobicContact CB-CD1 4.33Å; R17-L122 WeakPolarHBondContact O-CD1 3.12Å; R17-D123 PolarHBondContact N-OD2 2.7Å; R17-D123 PolarHBondContact O-N 3.17Å; R17-S124 PolarHBondContact O-N 3.28Å
18A97.3Very high78.7Confident0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-134.3154.6-175.600000114.3I16 F96 L97 L98 S124 F227I16-A18 HydrophobicContact CD1-CB 4.27Å; I16-A18 HydrophobicContact CG1-CB 4.12Å; A18-F96 PolarHBondContact N-O 2.66Å; A18-L97 HydrophobicContact CB-CD2 3.86Å; A18-L97 WeakPolarHBondContact O-CA 3.36Å; A18-L98 PolarHBondContact O-N 3.02Å; A18-S124 CarbonylContact C-O 3.55Å; A18-S124 WeakPolarHBondContact CA-O 3.25Å; A18-S124 VanDerWaalsContact CB-O 3.27Å; A18-S124 WeakPolarHBondContact CB-O 3.41Å; A18-F227 HydrophobicContact CB-CE1 3.64Å; A18-F227 HydrophobicContact CB-CZ 3.64Å
19V97.8Very high80.8Confident0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-107.8136.7173.3169.60000109.2L21 L98 L111 L122 S124 V125 I126V19-L21 HydrophobicContact CG1-CD2 3.6Å; V19-L21 HydrophobicContact CG1-CG 3.79Å; V19-L98 HydrophobicContact CG2-CB 4.1Å; V19-L98 HydrophobicContact CG2-CD1 3.88Å; V19-L111 HydrophobicContact CG2-CD2 4.09Å; V19-L122 HydrophobicContact CB-CD2 4.42Å; V19-L122 HydrophobicContact CG2-CD1 4.05Å; V19-L122 HydrophobicContact CG2-CD2 3.71Å; V19-S124 PolarHBondContact N-O 2.72Å; V19-V125 HydrophobicContact CB-CB 4.49Å; V19-V125 HydrophobicContact CB-CG1 4.15Å; V19-V125 HydrophobicContact CB-CG2 4.08Å; V19-V125 HydrophobicContact CG1-CG1 4.13Å; V19-V125 WeakPolarHBondContact O-CA 3.38Å; V19-I126 PolarHBondContact O-N 3.08Å
20L97.1Very high83.1Confident0 Ų042 Ų420%023%0.228CC..EExtended strand (participates in β ladder)trans-105.5104.1171.9-51.9-178.6000109.3K28 A32 L97 L98 I126 F128 F227L20-K28 HydrophobicContact CB-CD 4.06Å; L20-K28 HydrophobicContact CB-CG 4.34Å; L20-K28 VanDerWaalsContact O-CD 3.25Å; L20-K28 WeakPolarHBondContact O-CD 3.45Å; L20-A32 HydrophobicContact CD1-CB 3.54Å; L20-L97 HydrophobicContact CD2-CD2 4.44Å; L20-L98 PolarHBondContact N-O 3.17Å; L20-I126 HydrophobicContact CD2-CB 4.06Å; L20-I126 HydrophobicContact CD2-CG1 4.39Å; L20-F128 HydrophobicContact CB-CE2 4.24Å; L20-F128 HydrophobicContact CD2-CE2 4.22Å; L20-F227 HydrophobicContact CD2-CZ 4.38Å
21L95.7Very high85.7Confident5 Ų538 Ų383%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-94.3147.7174.3-63.7-175000110.9V19 V125 I126 E127 F128 T194 L197 Y201V19-L21 HydrophobicContact CG1-CD2 3.6Å; V19-L21 HydrophobicContact CG1-CG 3.79Å; L21-V125 HydrophobicContact CD1-CG1 3.49Å; L21-V125 VanDerWaalsContact CD1-CG1 3.49Å; L21-V125 HydrophobicContact CG-CG1 3.68Å; L21-I126 PolarHBondContact N-O 3.07Å; L21-E127 CarbonylContact O-C 3.49Å; L21-E127 WeakPolarHBondContact O-CA 3.23Å; L21-F128 WeakPolarHBondContact O-CD2 3.46Å; L21-F128 PolarHBondContact O-N 3.27Å; L21-T194 HydrophobicContact CD2-CG2 4.47Å; L21-L197 HydrophobicContact CD1-CB 4.05Å; L21-L197 HydrophobicContact CD2-CD1 4.27Å; L21-Y201 HydrophobicContact CD1-CD2 3.87Å; L21-Y201 HydrophobicContact CD1-CE2 4.08Å
22G94.4Very high88.1Confident8 Ų828.6 Ų28.68%0.08216%0.158CC..  trans157.8159.917500000111.7K28 Y190G22-K28 PolarHBondContact O-NZ 3.38Å; G22-Y190 WeakPolarHBondContact CA-OH 3.4Å; G22-Y190 WeakPolarHBondContact O-CE2 3.34Å
23P93.4Very high90.3Very high5 Ų523.9 Ų23.93%0.03215%0.145CC..  trans-67.9164.1-179.227.7-33.2000111.8G25 A26 K28 F128 I130 L135 L187 Y190P23-G25 PolarHBondContact O-N 3.3Å; P23-A26 HydrophobicContact CG-CB 4.04Å; P23-A26 VanDerWaalsContact O-CB 3.26Å; P23-A26 WeakPolarHBondContact O-CB 3.15Å; P23-A26 PolarHBondContact O-N 2.93Å; P23-K28 PolarHBondContact O-NZ 3.09Å; P23-F128 WeakPolarHBondContact CD-O 3.3Å; P23-I130 HydrophobicContact CG-CG2 3.86Å; P23-L135 HydrophobicContact CB-CD1 3.6Å; P23-L135 HydrophobicContact CG-CD1 3.45Å; P23-L135 VanDerWaalsContact CG-CD1 3.45Å; P23-L135 HydrophobicContact CG-CD2 4.37Å; P23-L187 HydrophobicContact CB-CD2 3.77Å; P23-Y190 HydrophobicContact CB-CD1 3.84Å; P23-Y190 HydrophobicContact CB-CD2 4.41Å; P23-Y190 HydrophobicContact CB-CE1 3.93Å; P23-Y190 HydrophobicContact CB-CE2 4.5Å; P23-Y190 HydrophobicContact CB-CG 4.1Å; P23-Y190 HydrophobicContact CG-CE1 4.24Å
24P90.2Very high92.1Very high18 Ų1824.6 Ų24.612%0.11714%0.139CC..THydrogen-bonded Turntrans-55.9130.4170.1-20.831.5000110.8L135 I139 L183 R186P24-L135 WeakPolarHBondContact O-CD2 3.43Å; P24-I139 HydrophobicContact CB-CD1 4.1Å; P24-L183 HydrophobicContact CB-CD1 4.11Å; P24-R186 HydrophobicContact CG-CB 3.87Å
25G90.8Very high93.1Very high12 Ų1217.9 Ų17.912%0.12411%0.11CC..THydrogen-bonded Turntrans90.1-2.3179.400000114.4P23 G27 L135 R138P23-G25 PolarHBondContact O-N 3.3Å; G25-G27 PolarHBondContact O-N 3.15Å; G25-G27 VanDerWaalsContact O-N 3.16Å; G25-L135 VanDerWaalsContact C-CD2 3.49Å; G25-R138 VanDerWaalsContact O-CD 3.27Å; G25-R138 WeakPolarHBondContact O-CD 3.35Å
26A93.8Very high93.3Very high2 Ų217.6 Ų17.62%0.01711%0.106CC..SBendtrans-68.5-10.7179.200000114.7P23 F128 I130 L135P23-A26 HydrophobicContact CG-CB 4.04Å; P23-A26 VanDerWaalsContact O-CB 3.26Å; P23-A26 WeakPolarHBondContact O-CB 3.15Å; P23-A26 PolarHBondContact O-N 2.93Å; A26-F128 HydrophobicContact CB-CB 3.75Å; A26-F128 HydrophobicContact CB-CG 4.5Å; A26-F128 WeakPolarHBondContact O-CD1 3.44Å; A26-I130 HydrophobicContact CB-CG2 3.81Å; A26-L135 HydrophobicContact CB-CD2 4.47Å
27G91.6Very high93.2Very high21 Ų2125.1 Ų25.122%0.21614%0.141CC..SBendtrans1027.9177.800000115.6G25 G29 T30 Q31G25-G27 PolarHBondContact O-N 3.15Å; G25-G27 VanDerWaalsContact O-N 3.16Å; G27-G29 PolarHBondContact O-N 3.35Å; G27-T30 WeakPolarHBondContact O-CB 3.44Å; G27-T30 PolarHBondContact O-N 3.29Å; G27-Q31 PolarHBondContact O-N 3.35Å; G27-Q31 VanDerWaalsContact O-N 3.16Å
28K92.5Very high93Very high22 Ų2226 Ų2610%0.09615%0.149CC..Hα-helixtrans-51.1-52.2176.5-63.9-173.3-62.4-68.30113L20 G22 P23 T30 Q31 A32 D99 F128L20-K28 HydrophobicContact CB-CD 4.06Å; L20-K28 HydrophobicContact CB-CG 4.34Å; L20-K28 VanDerWaalsContact O-CD 3.25Å; L20-K28 WeakPolarHBondContact O-CD 3.45Å; G22-K28 PolarHBondContact O-NZ 3.38Å; P23-K28 PolarHBondContact O-NZ 3.09Å; K28-T30 PolarHBondContact O-N 3.27Å; K28-T30 VanDerWaalsContact O-N 3.14Å; K28-Q31 PolarHBondContact O-N 3.43Å; K28-A32 WeakPolarHBondContact O-CB 3.43Å; K28-A32 PolarHBondContact O-N 3Å; K28-D99 WeakPolarHBondContact CB-OD1 3.22Å; K28-D99 WeakPolarHBondContact CD-OD1 3.47Å; K28-D99 WeakPolarHBondContact CE-OD1 3.32Å; K28-F128 HydrophobicContact CG-CD1 4.41Å; K28-F128 HydrophobicContact CG-CD2 3.92Å; K28-F128 HydrophobicContact CG-CE1 4.49Å; K28-F128 HydrophobicContact CG-CE2 4.04Å; K28-F128 HydrophobicContact CG-CG 4.13Å; K28-F128 HydrophobicContact CG-CZ 4.32Å
29G87Confident92.7Very high24 Ų2427 Ų2725%0.24715%0.154CC..Hα-helixtrans-65.2-15.5179.100000114.9G27 P33G27-G29 PolarHBondContact O-N 3.35Å; G29-P33 VanDerWaalsContact O-CD 3.23Å; G29-P33 WeakPolarHBondContact O-CD 3.24Å
30T89.4Confident92.5Very high48 Ų4829.8 Ų29.829%0.29417%0.173SC..Hα-helixtrans-81.9-37.7171.6-55.70000111.1G27 K28 P216G27-T30 WeakPolarHBondContact O-CB 3.44Å; G27-T30 PolarHBondContact O-N 3.29Å; K28-T30 PolarHBondContact O-N 3.27Å; K28-T30 VanDerWaalsContact O-N 3.14Å; T30-P216 HydrophobicContact CG2-CB 4.45Å
31Q93.4Very high92.4Very high4 Ų430.3 Ų30.32%0.01918%0.176CC..Hα-helixtrans-87.2-38.5-176.7-59.3-58.6-16.200113.1G27 K28 R34 L35 F128 P216 V219 F220 I223G27-Q31 PolarHBondContact O-N 3.35Å; G27-Q31 VanDerWaalsContact O-N 3.16Å; K28-Q31 PolarHBondContact O-N 3.43Å; Q31-R34 WeakPolarHBondContact O-CB 3.35Å; Q31-R34 PolarHBondContact O-N 3.48Å; Q31-R34 VanDerWaalsContact O-N 3.13Å; Q31-L35 HydrophobicContact CB-CD1 4.07Å; Q31-L35 WeakPolarHBondContact O-CG 3.39Å; Q31-L35 PolarHBondContact O-N 2.9Å; Q31-F128 HydrophobicContact CB-CE1 4.25Å; Q31-F128 HydrophobicContact CB-CZ 3.97Å; Q31-F128 HydrophobicContact CG-CE1 3.72Å; Q31-F128 HydrophobicContact CG-CZ 3.92Å; Q31-P216 PolarHBondContact NE2-O 3.15Å; Q31-V219 HydrophobicContact CG-CG1 3.88Å; Q31-F220 VanDerWaalsContact OE1-CD2 3.32Å; Q31-I223 HydrophobicContact CB-CD1 4.09Å; Q31-I223 HydrophobicContact CG-CD1 4.05Å
32A93.9Very high92.4Very high0 Ų030.7 Ų30.70%018%0.179CC..Hα-helixtrans-58.8-43.6-170.700000113.7L20 K28 R34 L35 A36 H43L20-A32 HydrophobicContact CD1-CB 3.54Å; K28-A32 WeakPolarHBondContact O-CB 3.43Å; K28-A32 PolarHBondContact O-N 3Å; A32-R34 PolarHBondContact O-N 3.31Å; A32-L35 PolarHBondContact O-N 3.24Å; A32-A36 VanDerWaalsContact O-CB 3.27Å; A32-A36 WeakPolarHBondContact O-CB 3.33Å; A32-A36 PolarHBondContact O-N 3.14Å; A32-H43 VanDerWaalsContact CB-NE2 3.3Å; A32-H43 WeakPolarHBondContact CB-NE2 3.44Å
33P90.9Very high92.3Very high50 Ų5033.1 Ų33.133%0.32519%0.188SC..Hα-helixtrans-64.3-40.6175.7-22.935.4000112.8G29 L35 A36 E37G29-P33 VanDerWaalsContact O-CD 3.23Å; G29-P33 WeakPolarHBondContact O-CD 3.24Å; P33-L35 VanDerWaalsContact C-N 3.33Å; P33-L35 PolarHBondContact O-N 3.23Å; P33-A36 PolarHBondContact O-N 3.44Å; P33-E37 PolarHBondContact O-N 2.81Å
34R91.8Very high92.4Very high84 Ų8433.2 Ų33.232%0.31719%0.188SC..Hα-helixtrans-63-41.2177.1-64.5174.764.4171.32.7111.4Q31 A32 N38 D217 F220Q31-R34 WeakPolarHBondContact O-CB 3.35Å; Q31-R34 PolarHBondContact O-N 3.48Å; Q31-R34 VanDerWaalsContact O-N 3.13Å; A32-R34 PolarHBondContact O-N 3.31Å; R34-N38 WeakPolarHBondContact O-CB 3.46Å; R34-N38 PolarHBondContact O-N 3.19Å; R34-D217 IonicContact CZ-OD1 3.46Å; R34-D217 IonicContact NH1-OD1 3.39Å; R34-D217 PolarHBondContact NH1-OD1 3.02Å; R34-D217 IonicContact NH2-OD1 3.3Å; R34-D217 PolarHBondContact NH2-OD1 3.22Å; R34-F220 HydrophobicContact CB-CD2 4.01Å; R34-F220 HydrophobicContact CB-CE2 3.51Å; R34-F220 HydrophobicContact CB-CZ 4.23Å
35L94.1Very high92.5Very high0 Ų032.9 Ų32.90%019%0.187CC..Hα-helixtrans-69.7-41.6177.6-67.8164.9000111Q31 A32 P33 E37 N38 F39 L97 F220 I223 L224 F227Q31-L35 HydrophobicContact CB-CD1 4.07Å; Q31-L35 WeakPolarHBondContact O-CG 3.39Å; Q31-L35 PolarHBondContact O-N 2.9Å; A32-L35 PolarHBondContact O-N 3.24Å; P33-L35 VanDerWaalsContact C-N 3.33Å; P33-L35 PolarHBondContact O-N 3.23Å; L35-E37 VanDerWaalsContact C-N 3.31Å; L35-E37 PolarHBondContact O-N 3.06Å; L35-N38 PolarHBondContact O-N 2.79Å; L35-F39 HydrophobicContact CD2-CE2 4.2Å; L35-F39 WeakPolarHBondContact O-CD2 3.36Å; L35-F39 PolarHBondContact O-N 2.83Å; L35-L97 HydrophobicContact CB-CD1 3.44Å; L35-L97 VanDerWaalsContact CB-CD1 3.44Å; L35-F220 HydrophobicContact CD2-CD2 3.93Å; L35-F220 HydrophobicContact CD2-CE2 3.53Å; L35-F220 HydrophobicContact CD2-CZ 4.28Å; L35-F220 HydrophobicContact CG-CD2 4.14Å; L35-F220 HydrophobicContact CG-CE2 3.77Å; L35-I223 HydrophobicContact CD1-CD1 4.07Å; L35-I223 HydrophobicContact CD1-CG2 3.75Å; L35-I223 HydrophobicContact CD2-CB 4.31Å; L35-I223 HydrophobicContact CD2-CG2 3.7Å; L35-I223 HydrophobicContact CG-CG2 4.4Å; L35-L224 HydrophobicContact CD2-CD2 4Å; L35-F227 HydrophobicContact CD1-CE2 4.29Å; L35-F227 HydrophobicContact CD2-CD2 4.34Å; L35-F227 HydrophobicContact CD2-CE2 4.03Å
36A93.3Very high92.4Very high12 Ų1232.4 Ų32.410%0.09918%0.181CC..Hα-helixtrans-58.9-43.6177.100000111.7A32 P33 C40 V41 H43 L97A32-A36 VanDerWaalsContact O-CB 3.27Å; A32-A36 WeakPolarHBondContact O-CB 3.33Å; A32-A36 PolarHBondContact O-N 3.14Å; P33-A36 PolarHBondContact O-N 3.44Å; A36-C40 WeakPolarHBondContact O-CA 3.46Å; A36-C40 PolarHBondContact O-N 3.41Å; A36-V41 HydrophobicContact CB-CG2 4.48Å; A36-V41 WeakPolarHBondContact CB-O 3.34Å; A36-V41 PolarHBondContact O-N 2.89Å; A36-H43 HydrophobicContact CB-CB 3.93Å; A36-L97 HydrophobicContact CB-CD1 4.14Å
37E92Very high92Very high159 Ų15932.8 Ų32.874%0.74319%0.185SC*.Hα-helixtrans-64-47.9173.5-174.1172.5-158.900111.8P33 L35 F39 C40P33-E37 PolarHBondContact O-N 2.81Å; L35-E37 VanDerWaalsContact C-N 3.31Å; L35-E37 PolarHBondContact O-N 3.06Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 3.26Å; E37-C40 PolarHBondContact O-N 2.84Å
38N91.8Very high91.8Very high71 Ų7134.2 Ų34.238%0.3819%0.188SC..Hα-helixtrans-61.8-36.9-178.2-175.190000113.8R34 L35 F220R34-N38 WeakPolarHBondContact O-CB 3.46Å; R34-N38 PolarHBondContact O-N 3.19Å; L35-N38 PolarHBondContact O-N 2.79Å; N38-F220 HydrophobicContact CB-CZ 4.27Å
39F92.6Very high91.5Very high22 Ų2234.8 Ų34.810%0.09619%0.191CC..Hα-helixtrans-100.52.7-179.4-68.6-84000113.5I16 L35 E37 V41 L224 F227I16-F39 HydrophobicContact CB-CD1 4.34Å; I16-F39 HydrophobicContact CB-CG 4.48Å; I16-F39 HydrophobicContact CG2-CB 3.8Å; I16-F39 HydrophobicContact CG2-CD1 4.13Å; I16-F39 HydrophobicContact CG2-CD2 4.19Å; I16-F39 HydrophobicContact CG2-CG 3.78Å; L35-F39 HydrophobicContact CD2-CE2 4.2Å; L35-F39 WeakPolarHBondContact O-CD2 3.36Å; L35-F39 PolarHBondContact O-N 2.83Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 3.26Å; F39-V41 VanDerWaalsContact C-N 3.27Å; F39-V41 HydrophobicContact CB-CG1 4.14Å; F39-V41 HydrophobicContact CB-CG2 4.07Å; F39-V41 WeakPolarHBondContact O-CG1 3.46Å; F39-V41 PolarHBondContact O-N 2.72Å; F39-L224 HydrophobicContact CE2-CD2 3.5Å; F39-L224 VanDerWaalsContact CE2-CD2 3.5Å; F39-L224 HydrophobicContact CZ-CD2 3.73Å; F39-F227 HydrophobicContact CD2-CD2 4.3Å; F39-F227 AromaticContact CE2-CD2 3.56Å; F39-F227 HydrophobicContact CE2-CD2 3.56Å; F39-F227 HydrophobicContact CE2-CE2 4.2Å; F39-F227 HydrophobicContact CZ-CB 3.98Å; F39-F227 AromaticContact CZ-CD2 3.76Å; F39-F227 HydrophobicContact CZ-CD2 3.76Å; F39-F227 HydrophobicContact CZ-CG 4.39Å
40C93.4Very high91.6Very high59 Ų5934 Ų3440%0.39918%0.182SC..THydrogen-bonded Turntrans51.943.7-176-62.10000113.1A36 E37 N94A36-C40 WeakPolarHBondContact O-CA 3.46Å; A36-C40 PolarHBondContact O-N 3.41Å; E37-C40 PolarHBondContact O-N 2.84Å; C40-N94 VanDerWaalsContact O-CB 3.28Å; C40-N94 WeakPolarHBondContact O-CB 3.35Å; C40-N94 PolarHBondContact O-ND2 3.43Å
41V95.2Very high91.5Very high11 Ų1134.7 Ų34.77%0.06718%0.179CC..  trans-116.6160.2-178.7-64.70000111.5I16 A36 F39 N94 G95 L97I16-V41 HydrophobicContact CG2-CG1 4.23Å; I16-V41 HydrophobicContact CG2-CG2 4.2Å; I16-V41 WeakPolarHBondContact O-CG1 3.45Å; A36-V41 HydrophobicContact CB-CG2 4.48Å; A36-V41 WeakPolarHBondContact CB-O 3.34Å; A36-V41 PolarHBondContact O-N 2.89Å; F39-V41 VanDerWaalsContact C-N 3.27Å; F39-V41 HydrophobicContact CB-CG1 4.14Å; F39-V41 HydrophobicContact CB-CG2 4.07Å; F39-V41 WeakPolarHBondContact O-CG1 3.46Å; F39-V41 PolarHBondContact O-N 2.72Å; V41-N94 HydrophobicContact CG1-CB 4.38Å; V41-G95 WeakPolarHBondContact CB-O 3.38Å; V41-L97 HydrophobicContact CG2-CD1 4.14Å; V41-L97 HydrophobicContact CG2-CG 3.93Å
42C94.1Very high91.1Very high12 Ų1237.6 Ų37.68%0.08120%0.204CC..EExtended strand (participates in β ladder)trans-76.2143.3176.271.50000111.8L91 C92 G95 F96 L97C42-L91 HydrophobicContact CB-CB 4.07Å; C42-L91 PolarHBondContact N-O 3.01Å; C42-C92 HydrophobicContact CB-CB 4.01Å; C42-C92 WeakPolarHBondContact CB-SG 3.45Å; C42-C92 WeakPolarHBondContact SG-CA 3.31Å; C42-C92 WeakPolarHBondContact SG-CB 3.48Å; C42-C92 CovalentContact SG-SG 2.03Å; C42-C92 PolarHBondContact SG-SG 3.28Å; C42-G95 PolarHBondContact N-O 3.29Å; C42-F96 CarbonylContact O-C 3.57Å; C42-F96 VanDerWaalsContact O-CA 3.32Å; C42-F96 WeakPolarHBondContact O-CA 3.32Å; C42-F96 WeakPolarHBondContact SG-CB 3.44Å; C42-L97 PolarHBondContact O-N 2.78Å
43H94.3Very high90.7Very high59 Ų5940.6 Ų40.627%0.27322%0.219SC..EExtended strand (participates in β ladder)trans-98.4115.2170.4173.4-146.8000109.9A32 A36 D99A32-H43 VanDerWaalsContact CB-NE2 3.3Å; A32-H43 WeakPolarHBondContact CB-NE2 3.44Å; A36-H43 HydrophobicContact CB-CB 3.93Å; H43-D99 WeakPolarHBondContact NE2-CB 3.49Å; H43-D99 IonicContact NE2-OD2 3.89Å
44L93.9Very high90.6Very high8 Ų839.6 Ų39.64%0.04221%0.211CC..EExtended strand (participates in β ladder)trans-107.988.5-179.9-60.9-175000110.2T46 M49 I83 N86 L87 F96 L97 L98 D99L44-T46 PolarHBondContact O-N 3.36Å; L44-M49 HydrophobicContact CB-CE 4.23Å; L44-I83 HydrophobicContact CB-CD1 4.3Å; L44-I83 HydrophobicContact CD1-CD1 4.42Å; L44-N86 HydrophobicContact CD1-CB 4.22Å; L44-N86 HydrophobicContact CD2-CB 3.69Å; L44-L87 HydrophobicContact CD1-CD2 3.6Å; L44-L87 HydrophobicContact CD1-CG 4.03Å; L44-F96 HydrophobicContact CD1-CB 4.42Å; L44-L97 PolarHBondContact N-O 3.36Å; L44-L98 HydrophobicContact CB-CD2 4Å; L44-L98 HydrophobicContact CD1-CD2 4.04Å; L44-D99 PolarHBondContact O-N 3.15Å
45A91.9Very high90.3Very high10 Ų1039.7 Ų39.78%0.08323%0.23CC..EExtended strand (participates in β ladder)trans-88.6100.4174.900000111.4G47 D48 M49 D99A45-G47 PolarHBondContact O-N 3.41Å; A45-D48 HydrophobicContact CB-CB 4.06Å; A45-D48 PolarHBondContact O-N 3.04Å; A45-M49 WeakPolarHBondContact O-CG 3.44Å; A45-M49 PolarHBondContact O-N 3.37Å; A45-D99 HydrophobicContact CB-CB 4.34Å
46T88.9Confident89.9Confident2 Ų243.4 Ų43.41%0.01226%0.256CS..Hα-helixtrans-59.5-36.2-177.2550000112.9L44 D48 M49 L50 V79 I83 D99 G100 F101L44-T46 PolarHBondContact O-N 3.36Å; T46-D48 VanDerWaalsContact C-N 3.28Å; T46-D48 PolarHBondContact O-N 2.8Å; T46-M49 HydrophobicContact CG2-CE 3.89Å; T46-M49 PolarHBondContact O-N 2.89Å; T46-L50 WeakPolarHBondContact O-CB 3.46Å; T46-L50 WeakPolarHBondContact O-CD1 3.27Å; T46-L50 WeakPolarHBondContact O-CG 3.12Å; T46-L50 PolarHBondContact O-N 3.44Å; T46-V79 HydrophobicContact CG2-CG1 3.86Å; T46-I83 HydrophobicContact CG2-CD1 3.61Å; T46-I83 HydrophobicContact CG2-CG1 4.16Å; T46-D99 PolarHBondContact N-O 3.25Å; T46-D99 VanDerWaalsContact N-O 3.15Å; T46-D99 PolarHBondContact OG1-O 3.42Å; T46-G100 PolarHBondContact OG1-O 3.28Å; T46-F101 HydrophobicContact CG2-CB 3.51Å; T46-F101 HydrophobicContact CG2-CG 4.23Å
47G86.8Confident89.4Confident10 Ų1045 Ų4510%0.10327%0.274CS..Hα-helixtrans-61.8-35.1176.200000113.4A45 R51A45-G47 PolarHBondContact O-N 3.41Å; G47-R51 WeakPolarHBondContact O-CB 3.34Å; G47-R51 WeakPolarHBondContact O-CG 3.46Å; G47-R51 PolarHBondContact O-N 2.95Å; G47-R51 VanDerWaalsContact O-N 3.14Å; G47-R51 PolarHBondContact O-NE 3.01Å; G47-R51 PolarHBondContact O-NH2 3.13Å
48D85.8Confident89.1Confident52 Ų5239.9 Ų39.928%0.27826%0.255SS..Hα-helixtrans-82.8-38.8-179.1-66-22.3000111.5A45 T46 L50 R51 A52 R175A45-D48 HydrophobicContact CB-CB 4.06Å; A45-D48 PolarHBondContact O-N 3.04Å; T46-D48 VanDerWaalsContact C-N 3.28Å; T46-D48 PolarHBondContact O-N 2.8Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 2.8Å; D48-R51 PolarHBondContact O-N 3.47Å; D48-R51 IonicContact OD1-CZ 3.29Å; D48-R51 IonicContact OD1-NE 3.83Å; D48-R51 PolarHBondContact OD1-NE 3Å; D48-R51 IonicContact OD1-NH2 3.18Å; D48-R51 PolarHBondContact OD1-NH2 3.04Å; D48-A52 PolarHBondContact O-N 2.85Å; D48-R175 IonicContact OD1-CZ 3.16Å; D48-R175 IonicContact OD1-NH2 2.63Å; D48-R175 PolarHBondContact OD1-NH2 2.79Å; D48-R175 IonicContact OD2-NH2 2.88Å
49M87.9Confident88.7Confident33 Ų3343 Ų4316%0.16327%0.268CS..Hα-helixtrans-59.2-45171.6-63.7-174.8-75.300111.6L44 A45 T46 R51 A52 M53 L82 I83L44-M49 HydrophobicContact CB-CE 4.23Å; A45-M49 WeakPolarHBondContact O-CG 3.44Å; A45-M49 PolarHBondContact O-N 3.37Å; T46-M49 HydrophobicContact CG2-CE 3.89Å; T46-M49 PolarHBondContact O-N 2.89Å; M49-R51 PolarHBondContact O-N 3.35Å; M49-A52 WeakPolarHBondContact O-CB 3.33Å; M49-A52 PolarHBondContact O-N 2.84Å; M49-M53 WeakPolarHBondContact O-CG 3.19Å; M49-M53 PolarHBondContact O-N 2.84Å; M49-M53 VanDerWaalsContact O-N 3.07Å; M49-L82 HydrophobicContact CB-CD2 3.8Å; M49-L82 HydrophobicContact CB-CG 4.45Å; M49-L82 HydrophobicContact CE-CD2 4.45Å; M49-L82 HydrophobicContact CE-CG 4.48Å; M49-L82 HydrophobicContact SD-CD1 4.5Å; M49-L82 HydrophobicContact SD-CD2 4.47Å; M49-L82 HydrophobicContact SD-CG 4.26Å; M49-I83 HydrophobicContact CE-CD1 3.71Å
50L88.4Confident88.2Confident9 Ų945.9 Ų45.95%0.04728%0.284CS..Hα-helixtrans-64.7-39.3175.8-70169.3000112.2T46 D48 M53 V54 L64 M68 V74 L82T46-L50 WeakPolarHBondContact O-CB 3.46Å; T46-L50 WeakPolarHBondContact O-CD1 3.27Å; T46-L50 WeakPolarHBondContact O-CG 3.12Å; T46-L50 PolarHBondContact O-N 3.44Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 2.8Å; L50-M53 WeakPolarHBondContact O-CB 3.35Å; L50-M53 PolarHBondContact O-N 3.3Å; L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 3.48Å; L50-L64 HydrophobicContact CD2-CD1 4.14Å; L50-L64 HydrophobicContact CD2-CD2 4.19Å; L50-M68 HydrophobicContact CB-CE 3.97Å; L50-M68 HydrophobicContact CB-SD 3.78Å; L50-V74 HydrophobicContact CD1-CB 4.34Å; L50-V74 HydrophobicContact CD1-CG2 3.84Å; L50-V74 HydrophobicContact CD2-CG1 4.36Å; L50-V74 HydrophobicContact CD2-CG2 4.3Å; L50-L82 HydrophobicContact CD2-CD2 4.27Å; L50-L82 HydrophobicContact CG-CD2 4.46Å
51R86.4Confident87.9Confident61 Ų6143.1 Ų43.123%0.2327%0.265CS..Hα-helixtrans-65.1-36.5174.8-85-177.6-80.2-103.4-6.8112.7G47 D48 M49 M53 V54 A55 M68 R175 D177G47-R51 WeakPolarHBondContact O-CB 3.34Å; G47-R51 WeakPolarHBondContact O-CG 3.46Å; G47-R51 PolarHBondContact O-N 2.95Å; G47-R51 VanDerWaalsContact O-N 3.14Å; G47-R51 PolarHBondContact O-NE 3.01Å; G47-R51 PolarHBondContact O-NH2 3.13Å; D48-R51 PolarHBondContact O-N 3.47Å; D48-R51 IonicContact OD1-CZ 3.29Å; D48-R51 IonicContact OD1-NE 3.83Å; D48-R51 PolarHBondContact OD1-NE 3Å; D48-R51 IonicContact OD1-NH2 3.18Å; D48-R51 PolarHBondContact OD1-NH2 3.04Å; M49-R51 PolarHBondContact O-N 3.35Å; R51-M53 VanDerWaalsContact C-N 3.33Å; R51-V54 WeakPolarHBondContact O-CB 3.49Å; R51-V54 PolarHBondContact O-N 2.68Å; R51-A55 PolarHBondContact O-N 2.92Å; R51-M68 HydrophobicContact CG-CE 3.73Å; R51-R175 VanDerWaalsContact NH1-CD 3.33Å; R51-R175 VanDerWaalsContact NH2-NH2 3.11Å; R51-D177 IonicContact NH1-OD1 3.91Å; R51-D177 IonicContact NH1-OD2 3.69Å
52A85.5Confident87.5Confident66 Ų6648.3 Ų48.355%0.54529%0.287SS..Hα-helixtrans-63.3-41173.300000111.2D48 M49 V54 A55 S56D48-A52 PolarHBondContact O-N 2.85Å; M49-A52 WeakPolarHBondContact O-CB 3.33Å; M49-A52 PolarHBondContact O-N 2.84Å; A52-V54 PolarHBondContact O-N 2.65Å; A52-A55 PolarHBondContact O-N 3.35Å; A52-S56 PolarHBondContact O-N 3.22Å
53M86.3Confident87Confident63 Ų6355.2 Ų55.231%0.3132%0.316SS..Hα-helixtrans-64.2-38.8173-64.2-178.6101.200112.2M49 L50 R51 A55 S56 L60 L64 M78 L82M49-M53 WeakPolarHBondContact O-CG 3.19Å; M49-M53 PolarHBondContact O-N 2.84Å; M49-M53 VanDerWaalsContact O-N 3.07Å; L50-M53 WeakPolarHBondContact O-CB 3.35Å; L50-M53 PolarHBondContact O-N 3.3Å; R51-M53 VanDerWaalsContact C-N 3.33Å; M53-A55 VanDerWaalsContact C-N 3.33Å; M53-A55 PolarHBondContact O-N 3Å; M53-S56 WeakPolarHBondContact O-CB 3.32Å; M53-S56 PolarHBondContact O-N 3.44Å; M53-S56 PolarHBondContact O-OG 2.82Å; M53-L60 HydrophobicContact CE-CD2 4.31Å; M53-L64 HydrophobicContact CB-CD1 3.92Å; M53-L64 HydrophobicContact SD-CD1 4.41Å; M53-M78 HydrophobicContact CE-CE 4.16Å; M53-M78 HydrophobicContact SD-CE 4.09Å; M53-L82 HydrophobicContact SD-CD1 4.46Å; M53-L82 HydrophobicContact SD-CD2 4.45Å
54V87.9Confident86.7Confident28 Ų2852.8 Ų52.817%0.1730%0.304CS..Hα-helixtrans-60-44.2172.7167.80000111.2L50 R51 A52 S56 G57 L64 K65 M68L50-V54 WeakPolarHBondContact O-CG2 3.44Å; L50-V54 PolarHBondContact O-N 3.48Å; R51-V54 WeakPolarHBondContact O-CB 3.49Å; R51-V54 PolarHBondContact O-N 2.68Å; A52-V54 PolarHBondContact O-N 2.65Å; V54-S56 PolarHBondContact O-N 2.84Å; V54-G57 PolarHBondContact O-N 2.93Å; V54-L64 HydrophobicContact CG2-CB 3.65Å; V54-K65 HydrophobicContact CG1-CB 3.68Å; V54-K65 HydrophobicContact CG1-CD 3.89Å; V54-K65 HydrophobicContact CG1-CG 3.94Å; V54-K65 HydrophobicContact CG2-CB 4.16Å; V54-M68 HydrophobicContact CG2-SD 4.02Å
55A85.9Confident86.3Confident86 Ų8656.7 Ų56.771%0.71132%0.321SS*.Hα-helixtrans-65.6-22-18000000113.6R51 A52 M53 G57R51-A55 PolarHBondContact O-N 2.92Å; A52-A55 PolarHBondContact O-N 3.35Å; M53-A55 VanDerWaalsContact C-N 3.33Å; M53-A55 PolarHBondContact O-N 3Å; A55-G57 PolarHBondContact O-N 2.81Å
56S85.1Confident86.1Confident79 Ų7959.4 Ų59.455%0.55234%0.343SS*.THydrogen-bonded Turntrans-63.3-19.7175.376.20000114A52 M53 V54 S58A52-S56 PolarHBondContact O-N 3.22Å; M53-S56 WeakPolarHBondContact O-CB 3.32Å; M53-S56 PolarHBondContact O-N 3.44Å; M53-S56 PolarHBondContact O-OG 2.82Å; V54-S56 PolarHBondContact O-N 2.84Å; S56-S58 PolarHBondContact O-N 3.02Å; S56-S58 PolarHBondContact OG-N 3.23Å; S56-S58 PolarHBondContact OG-OG 3.35Å; S56-S58 VanDerWaalsContact OG-OG 3.07Å
57G83Confident85.9Confident45 Ų4561.1 Ų61.146%0.46435%0.354SS..  trans73.33.7-179.100000115.5V54 A55V54-G57 PolarHBondContact O-N 2.93Å; A55-G57 PolarHBondContact O-N 2.81Å
58S85.8Confident85.8Confident51 Ų5162.1 Ų62.136%0.35736%0.356SS..  trans-59.1157.5174.560.70000112.3S56 L60 G61 K62S56-S58 PolarHBondContact O-N 3.02Å; S56-S58 PolarHBondContact OG-N 3.23Å; S56-S58 PolarHBondContact OG-OG 3.35Å; S56-S58 VanDerWaalsContact OG-OG 3.07Å; S58-L60 PolarHBondContact O-N 2.97Å; S58-G61 CarbonylContact O-C 3.54Å; S58-G61 WeakPolarHBondContact O-CA 3.22Å; S58-G61 PolarHBondContact O-N 2.85Å; S58-G61 PolarHBondContact OG-N 3.48Å; S58-G61 VanDerWaalsContact OG-N 3.08Å; S58-K62 PolarHBondContact O-N 2.77Å
59E83.9Confident85.6Confident138 Ų13862.7 Ų62.765%0.64536%0.359SS*.Hα-helixtrans-55.8-38.5175-72.2-55.9125.700112.1K62 K63E59-K62 PolarHBondContact O-N 2.97Å; E59-K62 IonicContact OE1-NZ 3.82Å; E59-K62 PolarHBondContact OE1-NZ 2.91Å; E59-K63 PolarHBondContact O-N 3.19Å
60L82.4Confident85.4Confident82 Ų8263 Ų6343%0.42937%0.368SS..Hα-helixtrans-60.8-46.9171.1-176.260000111.4M53 S58 K62 K63 L64 M78M53-L60 HydrophobicContact CE-CD2 4.31Å; S58-L60 PolarHBondContact O-N 2.97Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.36Å; L60-K63 PolarHBondContact O-N 2.98Å; L60-L64 HydrophobicContact CG-CD1 4.45Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 2.93Å; L60-M78 HydrophobicContact CD1-CE 3.92Å; L60-M78 HydrophobicContact CD1-SD 4.12Å; L60-M78 HydrophobicContact CD2-CE 3.64Å; L60-M78 HydrophobicContact CG-CE 3.88Å
61G86.6Confident84.9Confident1 Ų163 Ų631%0.0137%0.37CS..Hα-helixtrans-57-39.9175.400000113.6S58 L64 K65S58-G61 CarbonylContact O-C 3.54Å; S58-G61 WeakPolarHBondContact O-CA 3.22Å; S58-G61 PolarHBondContact O-N 2.85Å; S58-G61 PolarHBondContact OG-N 3.48Å; S58-G61 VanDerWaalsContact OG-N 3.08Å; G61-L64 PolarHBondContact O-N 3.22Å; G61-K65 WeakPolarHBondContact O-CB 3.5Å; G61-K65 PolarHBondContact O-N 2.98Å
62K86.1Confident84.6Confident120 Ų12066.9 Ų66.952%0.52239%0.388SS..Hα-helixtrans-64.1-43.3176.3-66.5175.5-172.2167.70112.1S58 E59 L60 K65 A66S58-K62 PolarHBondContact O-N 2.77Å; E59-K62 PolarHBondContact O-N 2.97Å; E59-K62 IonicContact OE1-NZ 3.82Å; E59-K62 PolarHBondContact OE1-NZ 2.91Å; L60-K62 VanDerWaalsContact C-N 3.33Å; L60-K62 PolarHBondContact O-N 3.36Å; K62-K65 WeakPolarHBondContact O-CB 3.28Å; K62-K65 PolarHBondContact O-N 3.25Å; K62-A66 PolarHBondContact O-N 3.41Å
63K83.4Confident84.3Confident157 Ų15766 Ų6668%0.68337%0.374SS*.Hα-helixtrans-65.3-40.7176.4-172.4179.7179.2-176.20111.9E59 L60 K65 T67E59-K63 PolarHBondContact O-N 3.19Å; L60-K63 PolarHBondContact O-N 2.98Å; K63-K65 VanDerWaalsContact C-N 3.34Å; K63-T67 PolarHBondContact O-N 2.92Å; K63-T67 PolarHBondContact O-OG1 3.26Å
64L87.6Confident84.3Confident7 Ų763.8 Ų63.84%0.03736%0.364CS..Hα-helixtrans-60.8-44.1174.1-71.3178.7000111.3L50 M53 V54 L60 G61 A66 T67 M68 V74 M78L50-L64 HydrophobicContact CD2-CD1 4.14Å; L50-L64 HydrophobicContact CD2-CD2 4.19Å; M53-L64 HydrophobicContact CB-CD1 3.92Å; M53-L64 HydrophobicContact SD-CD1 4.41Å; V54-L64 HydrophobicContact CG2-CB 3.65Å; L60-L64 HydrophobicContact CG-CD1 4.45Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 2.93Å; G61-L64 PolarHBondContact O-N 3.22Å; L64-A66 PolarHBondContact O-N 3.29Å; L64-T67 WeakPolarHBondContact O-CB 3.23Å; L64-T67 PolarHBondContact O-N 3.32Å; L64-T67 VanDerWaalsContact O-N 3.15Å; L64-M68 VanDerWaalsContact O-CG 3.3Å; L64-M68 WeakPolarHBondContact O-CG 3.26Å; L64-M68 PolarHBondContact O-N 2.86Å; L64-V74 HydrophobicContact CD2-CB 4.27Å; L64-V74 HydrophobicContact CD2-CG1 3.49Å; L64-V74 VanDerWaalsContact CD2-CG1 3.49Å; L64-V74 HydrophobicContact CD2-CG2 3.68Å; L64-M78 HydrophobicContact CD1-CE 3.74Å; L64-M78 HydrophobicContact CD2-CE 3.96Å; L64-M78 HydrophobicContact CD2-SD 3.96Å; L64-M78 HydrophobicContact CG-CE 4.22Å
65K86.9Confident84.3Confident91 Ų9165.4 Ų65.440%0.39638%0.377SS..Hα-helixtrans-55.9-51.3-179.4-175.3165.817245.70112.1V54 G61 K62 K63 T67 M68 D69V54-K65 HydrophobicContact CG1-CB 3.68Å; V54-K65 HydrophobicContact CG1-CD 3.89Å; V54-K65 HydrophobicContact CG1-CG 3.94Å; V54-K65 HydrophobicContact CG2-CB 4.16Å; G61-K65 WeakPolarHBondContact O-CB 3.5Å; G61-K65 PolarHBondContact O-N 2.98Å; K62-K65 WeakPolarHBondContact O-CB 3.28Å; K62-K65 PolarHBondContact O-N 3.25Å; K63-K65 VanDerWaalsContact C-N 3.34Å; K65-T67 VanDerWaalsContact C-N 3.27Å; K65-T67 PolarHBondContact O-N 2.61Å; K65-M68 PolarHBondContact O-N 2.91Å; K65-D69 VanDerWaalsContact CG-OD2 3.29Å; K65-D69 WeakPolarHBondContact CG-OD2 3.19Å; K65-D69 IonicContact NZ-OD1 2.71Å; K65-D69 IonicContact NZ-OD2 3.68Å; K65-D69 PolarHBondContact NZ-OD2 3.15Å; K65-D69 WeakPolarHBondContact O-CB 3.31Å; K65-D69 PolarHBondContact O-N 3.31Å
66A86.4Confident84.4Confident66 Ų6662.4 Ų62.455%0.54535%0.349SS..Hα-helixtrans-59.9-38.6179.400000112.4K62 L64 A70K62-A66 PolarHBondContact O-N 3.41Å; L64-A66 PolarHBondContact O-N 3.29Å; A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.48Å
67T85.7Confident84.6Confident39 Ų3962.8 Ų62.824%0.23934%0.342CS..Hα-helixtrans-67.3-44.8178.2-54.40000111.4K63 L64 K65 A70 G71 K72 L73K63-T67 PolarHBondContact O-N 2.92Å; K63-T67 PolarHBondContact O-OG1 3.26Å; L64-T67 WeakPolarHBondContact O-CB 3.23Å; L64-T67 PolarHBondContact O-N 3.32Å; L64-T67 VanDerWaalsContact O-N 3.15Å; K65-T67 VanDerWaalsContact C-N 3.27Å; K65-T67 PolarHBondContact O-N 2.61Å; T67-A70 PolarHBondContact O-N 3.46Å; T67-G71 PolarHBondContact O-N 3.41Å; T67-K72 HydrophobicContact CG2-CB 3.83Å; T67-K72 PolarHBondContact O-N 3.1Å; T67-L73 WeakPolarHBondContact CG2-O 3.5Å
68M83.8Confident84.7Confident30 Ų3062.2 Ų62.215%0.14833%0.327CS..Hα-helixtrans-71.3-43.6-178.6-67-179.175.900112.8L50 R51 V54 L64 K65 A70 G71L50-M68 HydrophobicContact CB-CE 3.97Å; L50-M68 HydrophobicContact CB-SD 3.78Å; R51-M68 HydrophobicContact CG-CE 3.73Å; V54-M68 HydrophobicContact CG2-SD 4.02Å; L64-M68 VanDerWaalsContact O-CG 3.3Å; L64-M68 WeakPolarHBondContact O-CG 3.26Å; L64-M68 PolarHBondContact O-N 2.86Å; K65-M68 PolarHBondContact O-N 2.91Å; M68-A70 PolarHBondContact O-N 3.26Å; M68-G71 WeakPolarHBondContact O-CA 3.41Å; M68-G71 PolarHBondContact O-N 2.99Å
69D83.4Confident84.9Confident64 Ų6460.1 Ų60.134%0.34231%0.313SS..Hα-helixtrans-62.2-29.1176.9-75.1-26.3000111.1K65 G71 S176K65-D69 VanDerWaalsContact CG-OD2 3.29Å; K65-D69 WeakPolarHBondContact CG-OD2 3.19Å; K65-D69 IonicContact NZ-OD1 2.71Å; K65-D69 IonicContact NZ-OD2 3.68Å; K65-D69 PolarHBondContact NZ-OD2 3.15Å; K65-D69 WeakPolarHBondContact O-CB 3.31Å; K65-D69 PolarHBondContact O-N 3.31Å; D69-G71 VanDerWaalsContact C-N 3.26Å; D69-G71 PolarHBondContact O-N 2.93Å; D69-S176 PolarHBondContact OD1-OG 3.36Å
70A82.6Confident85.3Confident41 Ų4154.3 Ų54.334%0.33929%0.286SS..THydrogen-bonded Turntrans-79.6-1172.900000114.3A66 T67 M68 K72A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.48Å; T67-A70 PolarHBondContact O-N 3.46Å; M68-A70 PolarHBondContact O-N 3.26Å; A70-K72 VanDerWaalsContact C-N 3.27Å; A70-K72 HydrophobicContact CB-CD 4.41Å; A70-K72 HydrophobicContact CB-CG 4.23Å; A70-K72 PolarHBondContact O-N 3.37Å
71G77.8Confident85.7Confident9 Ų955 Ų559%0.09329%0.287CS..THydrogen-bonded Turntrans7117-178.200000114.7T67 M68 D69T67-G71 PolarHBondContact O-N 3.41Å; M68-G71 WeakPolarHBondContact O-CA 3.41Å; M68-G71 PolarHBondContact O-N 2.99Å; D69-G71 VanDerWaalsContact C-N 3.26Å; D69-G71 PolarHBondContact O-N 2.93Å
72K81.1Confident85.8Confident141 Ų14156.2 Ų56.261%0.61329%0.293SS*.PPolyproline II helixtrans-90.6163.4-178.9-63.8-177.4-179.4-178.90111.9T67 A70T67-K72 HydrophobicContact CG2-CB 3.83Å; T67-K72 PolarHBondContact O-N 3.1Å; A70-K72 VanDerWaalsContact C-N 3.27Å; A70-K72 HydrophobicContact CB-CD 4.41Å; A70-K72 HydrophobicContact CB-CG 4.23Å; A70-K72 PolarHBondContact O-N 3.37Å
73L79.3Confident86.2Confident47 Ų4750.5 Ų50.525%0.24627%0.269CS..PPolyproline II helixtrans-83.1146.2174-59.2-166.3000111.5T67 R103 T104T67-L73 WeakPolarHBondContact CG2-O 3.5Å; L73-R103 HydrophobicContact CD1-CB 3.87Å; L73-R103 VanDerWaalsContact CD2-CD 3.42Å; L73-T104 HydrophobicContact CD1-CG2 3.95Å
74V85.3Confident86.6Confident17 Ų1745.3 Ų45.310%0.10325%0.247CC..PPolyproline II helixtrans-78.2155.8167.8-178.20000108.5L50 L64 M78 V79L50-V74 HydrophobicContact CD1-CB 4.34Å; L50-V74 HydrophobicContact CD1-CG2 3.84Å; L50-V74 HydrophobicContact CD2-CG1 4.36Å; L50-V74 HydrophobicContact CD2-CG2 4.3Å; L64-V74 HydrophobicContact CD2-CB 4.27Å; L64-V74 HydrophobicContact CD2-CG1 3.49Å; L64-V74 VanDerWaalsContact CD2-CG1 3.49Å; L64-V74 HydrophobicContact CD2-CG2 3.68Å; V74-M78 HydrophobicContact CG1-CB 4.44Å; V74-M78 HydrophobicContact CG1-CG 4.43Å; V74-M78 HydrophobicContact CG1-SD 3.81Å; V74-V79 HydrophobicContact CB-CG2 4.12Å; V74-V79 HydrophobicContact CG1-CG2 4.28Å
75S87.3Confident86.8Confident63 Ų6350.7 Ų50.744%0.44127%0.27SS..PPolyproline II helixtrans-54.6137.7179.752.10000112.7E77 M78 V79S75-E77 VanDerWaalsContact C-N 3.33Å; S75-E77 PolarHBondContact O-N 2.76Å; S75-M78 PolarHBondContact O-N 2.92Å; S75-M78 WeakPolarHBondContact OG-CB 3.45Å; S75-V79 PolarHBondContact O-N 3.02Å
76D89.3Confident87Confident22 Ų2248.6 Ų48.612%0.11826%0.263CS..Hα-helixtrans-55.7-45.8-175.9-59.3-27.3000112.3M78 V79 V80 R106 Q107 M110D76-M78 VanDerWaalsContact C-N 3.33Å; D76-M78 PolarHBondContact O-N 3.18Å; D76-V79 PolarHBondContact O-N 3.14Å; D76-V79 VanDerWaalsContact O-N 3.14Å; D76-V80 WeakPolarHBondContact O-CG2 3.39Å; D76-V80 PolarHBondContact O-N 3.09Å; D76-R106 WeakPolarHBondContact OD2-CD 3.45Å; D76-R106 IonicContact OD2-CZ 3.73Å; D76-R106 IonicContact OD2-NE 3.25Å; D76-R106 IonicContact OD2-NH1 2.77Å; D76-R106 PolarHBondContact OD2-NH1 2.81Å; D76-Q107 HydrophobicContact CB-CG 3.85Å; D76-Q107 VanDerWaalsContact OD1-CG 3.27Å; D76-Q107 WeakPolarHBondContact OD1-CG 3.44Å; D76-Q107 PolarHBondContact OD1-NE2 2.89Å; D76-M110 HydrophobicContact CB-SD 4Å
77E88.3Confident87.3Confident87 Ų8745.6 Ų45.641%0.40724%0.238SC..Hα-helixtrans-60.4-43.5-176.1-60.475.3-165.500111.4S75 V79 V80 E81 R106 M110S75-E77 VanDerWaalsContact C-N 3.33Å; S75-E77 PolarHBondContact O-N 2.76Å; E77-V79 VanDerWaalsContact C-N 3.35Å; E77-V79 PolarHBondContact O-N 2.53Å; E77-V80 PolarHBondContact O-N 2.94Å; E77-E81 WeakPolarHBondContact O-CB 3.19Å; E77-E81 PolarHBondContact O-N 3.35Å; E77-R106 IonicContact OE1-CZ 3.53Å; E77-R106 IonicContact OE1-NH1 3.86Å; E77-R106 PolarHBondContact OE1-NH1 2.84Å; E77-R106 IonicContact OE1-NH2 3.36Å; E77-R106 PolarHBondContact OE1-NH2 3.15Å; E77-M110 HydrophobicContact CG-CE 4.32Å
78M86.3Confident87.6Confident33 Ų3350.3 Ų50.316%0.16326%0.257CS..Hα-helixtrans-65.4-39.1178.6-178177.2177.100112M53 L60 L64 V74 S75 D76 L82M53-M78 HydrophobicContact CE-CE 4.16Å; M53-M78 HydrophobicContact SD-CE 4.09Å; L60-M78 HydrophobicContact CD1-CE 3.92Å; L60-M78 HydrophobicContact CD1-SD 4.12Å; L60-M78 HydrophobicContact CD2-CE 3.64Å; L60-M78 HydrophobicContact CG-CE 3.88Å; L64-M78 HydrophobicContact CD1-CE 3.74Å; L64-M78 HydrophobicContact CD2-CE 3.96Å; L64-M78 HydrophobicContact CD2-SD 3.96Å; L64-M78 HydrophobicContact CG-CE 4.22Å; V74-M78 HydrophobicContact CG1-CB 4.44Å; V74-M78 HydrophobicContact CG1-CG 4.43Å; V74-M78 HydrophobicContact CG1-SD 3.81Å; S75-M78 PolarHBondContact O-N 2.92Å; S75-M78 WeakPolarHBondContact OG-CB 3.45Å; D76-M78 VanDerWaalsContact C-N 3.33Å; D76-M78 PolarHBondContact O-N 3.18Å; M78-L82 WeakPolarHBondContact O-CB 3.35Å; M78-L82 PolarHBondContact O-N 2.79Å; M78-L82 VanDerWaalsContact O-N 3.14Å
79V89.9Confident87.9Confident8 Ų851.1 Ų51.15%0.04826%0.264CS..Hα-helixtrans-71.2-40.4179.9-177.50000110.4T46 V74 S75 D76 E77 L82 I83 F101T46-V79 HydrophobicContact CG2-CG1 3.86Å; V74-V79 HydrophobicContact CB-CG2 4.12Å; V74-V79 HydrophobicContact CG1-CG2 4.28Å; S75-V79 PolarHBondContact O-N 3.02Å; D76-V79 PolarHBondContact O-N 3.14Å; D76-V79 VanDerWaalsContact O-N 3.14Å; E77-V79 VanDerWaalsContact C-N 3.35Å; E77-V79 PolarHBondContact O-N 2.53Å; V79-L82 WeakPolarHBondContact O-CB 3.09Å; V79-L82 PolarHBondContact O-N 2.87Å; V79-I83 WeakPolarHBondContact O-CG1 3.48Å; V79-I83 PolarHBondContact O-N 2.86Å; V79-F101 HydrophobicContact CB-CD2 4.34Å; V79-F101 HydrophobicContact CB-CE2 4.3Å; V79-F101 HydrophobicContact CG1-CD2 3.37Å; V79-F101 HydrophobicContact CG1-CE2 3.74Å; V79-F101 HydrophobicContact CG1-CG 4.22Å
80V91.8Very high88.2Confident15 Ų1553.8 Ų53.89%0.09129%0.285CS..Hα-helixtrans-63.9-45.5177172.50000111.4D76 E77 L82 I83 E84 F101 M110D76-V80 WeakPolarHBondContact O-CG2 3.39Å; D76-V80 PolarHBondContact O-N 3.09Å; E77-V80 PolarHBondContact O-N 2.94Å; V80-L82 VanDerWaalsContact C-N 3.28Å; V80-L82 PolarHBondContact O-N 3.05Å; V80-I83 PolarHBondContact O-N 3.2Å; V80-I83 VanDerWaalsContact O-N 3.13Å; V80-E84 PolarHBondContact O-N 2.95Å; V80-F101 HydrophobicContact CG2-CE2 3.97Å; V80-F101 HydrophobicContact CG2-CZ 3.64Å; V80-M110 HydrophobicContact CB-CE 4.07Å; V80-M110 HydrophobicContact CG1-CB 4.48Å; V80-M110 HydrophobicContact CG1-CE 4.28Å; V80-M110 HydrophobicContact CG2-CB 3.81Å; V80-M110 HydrophobicContact CG2-CE 3.81Å; V80-M110 HydrophobicContact CG2-SD 4.03Å
81E89.8Confident88.5Confident96 Ų9658.3 Ų58.345%0.44930%0.303SS..Hα-helixtrans-59.6-40.8176.2-171.8-167.9159.200111.7E77 E84 K85E77-E81 WeakPolarHBondContact O-CB 3.19Å; E77-E81 PolarHBondContact O-N 3.35Å; E81-E84 PolarHBondContact O-N 2.91Å; E81-K85 WeakPolarHBondContact O-CG 3.4Å; E81-K85 PolarHBondContact O-N 2.91Å; E81-K85 VanDerWaalsContact O-N 3.13Å; E81-K85 VanDerWaalsContact OE1-CE 3.28Å; E81-K85 WeakPolarHBondContact OE1-CE 3.42Å; E81-K85 IonicContact OE1-NZ 3.55Å; E81-K85 PolarHBondContact OE1-NZ 2.85Å
82L90.3Very high89.3Confident27 Ų2758 Ų5814%0.14130%0.299CS..Hα-helixtrans-63-41.8176178.463.9000111.7M49 L50 M53 M78 V79 V80 N86M49-L82 HydrophobicContact CB-CD2 3.8Å; M49-L82 HydrophobicContact CB-CG 4.45Å; M49-L82 HydrophobicContact CE-CD2 4.45Å; M49-L82 HydrophobicContact CE-CG 4.48Å; M49-L82 HydrophobicContact SD-CD1 4.5Å; M49-L82 HydrophobicContact SD-CD2 4.47Å; M49-L82 HydrophobicContact SD-CG 4.26Å; L50-L82 HydrophobicContact CD2-CD2 4.27Å; L50-L82 HydrophobicContact CG-CD2 4.46Å; M53-L82 HydrophobicContact SD-CD1 4.46Å; M53-L82 HydrophobicContact SD-CD2 4.45Å; M78-L82 WeakPolarHBondContact O-CB 3.35Å; M78-L82 PolarHBondContact O-N 2.79Å; M78-L82 VanDerWaalsContact O-N 3.14Å; V79-L82 WeakPolarHBondContact O-CB 3.09Å; V79-L82 PolarHBondContact O-N 2.87Å; V80-L82 VanDerWaalsContact C-N 3.28Å; V80-L82 PolarHBondContact O-N 3.05Å; L82-N86 PolarHBondContact O-N 2.86Å; L82-N86 PolarHBondContact O-ND2 2.91Å
83I93.6Very high89.7Confident0 Ų059.5 Ų59.50%031%0.306CS..Hα-helixtrans-64.5-49.5175.5-69.8-56000110.9L44 T46 M49 V79 V80 K85 N86 L87 L98 F101 L114L44-I83 HydrophobicContact CB-CD1 4.3Å; L44-I83 HydrophobicContact CD1-CD1 4.42Å; T46-I83 HydrophobicContact CG2-CD1 3.61Å; T46-I83 HydrophobicContact CG2-CG1 4.16Å; M49-I83 HydrophobicContact CE-CD1 3.71Å; V79-I83 WeakPolarHBondContact O-CG1 3.48Å; V79-I83 PolarHBondContact O-N 2.86Å; V80-I83 PolarHBondContact O-N 3.2Å; V80-I83 VanDerWaalsContact O-N 3.13Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 3.36Å; I83-N86 PolarHBondContact O-N 3.49Å; I83-L87 HydrophobicContact CG2-CD1 3.64Å; I83-L87 HydrophobicContact CG2-CG 4.01Å; I83-L87 WeakPolarHBondContact O-CG 3.32Å; I83-L87 PolarHBondContact O-N 2.84Å; I83-L98 HydrophobicContact CD1-CD2 3.6Å; I83-L98 HydrophobicContact CG1-CD2 4.23Å; I83-L98 HydrophobicContact CG2-CD2 3.93Å; I83-F101 HydrophobicContact CG1-CD1 4.08Å; I83-F101 HydrophobicContact CG1-CE1 4.34Å; I83-F101 HydrophobicContact CG1-CG 4.32Å; I83-L114 HydrophobicContact CG2-CD2 4.31Å
84E93Very high90.3Very high48 Ų4860.5 Ų60.522%0.22431%0.311CS..Hα-helixtrans-53.7-49.3-179.3179.9169.5-147.800111.6V80 E81 N86 L87 E88 L114 K117V80-E84 PolarHBondContact O-N 2.95Å; E81-E84 PolarHBondContact O-N 2.91Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 3.13Å; E84-L87 PolarHBondContact O-N 3.04Å; E84-E88 PolarHBondContact O-N 3.48Å; E84-L114 HydrophobicContact CB-CD1 4.03Å; E84-L114 HydrophobicContact CB-CD2 4.01Å; E84-L114 HydrophobicContact CG-CD1 3.72Å; E84-K117 IonicContact OE1-NZ 2.97Å; E84-K117 PolarHBondContact OE1-NZ 2.95Å
85K91.4Very high90.8Very high120 Ų12059.7 Ų59.752%0.52231%0.306SS..Hα-helixtrans-59.4-37.7177.9-72.6179.4-176.1169.40113.4E81 I83E81-K85 WeakPolarHBondContact O-CG 3.4Å; E81-K85 PolarHBondContact O-N 2.91Å; E81-K85 VanDerWaalsContact O-N 3.13Å; E81-K85 VanDerWaalsContact OE1-CE 3.28Å; E81-K85 WeakPolarHBondContact OE1-CE 3.42Å; E81-K85 IonicContact OE1-NZ 3.55Å; E81-K85 PolarHBondContact OE1-NZ 2.85Å; I83-K85 VanDerWaalsContact C-N 3.34Å; I83-K85 PolarHBondContact O-N 3.36Å
86N91.4Very high91.2Very high48 Ų4856.7 Ų56.726%0.25729%0.285SS..Hα-helixtrans-75.9-33.2179.9-80-86.7000112.2L44 L82 I83 E84 E88 T89 C92L44-N86 HydrophobicContact CD1-CB 4.22Å; L44-N86 HydrophobicContact CD2-CB 3.69Å; L82-N86 PolarHBondContact O-N 2.86Å; L82-N86 PolarHBondContact O-ND2 2.91Å; I83-N86 PolarHBondContact O-N 3.49Å; E84-N86 VanDerWaalsContact C-N 3.3Å; E84-N86 PolarHBondContact O-N 3.13Å; N86-E88 PolarHBondContact O-N 2.85Å; N86-T89 WeakPolarHBondContact O-CB 3.27Å; N86-T89 VanDerWaalsContact O-CG2 3.31Å; N86-T89 WeakPolarHBondContact O-CG2 3.39Å; N86-T89 PolarHBondContact O-N 3.26Å; N86-T89 PolarHBondContact O-OG1 2.94Å; N86-C92 PolarHBondContact O-SG 3.33Å
87L92.9Very high91.6Very high3 Ų355.7 Ų55.72%0.01628%0.28CS..Hα-helixtrans-66.6-18.7176.4-70.2176.4000113.4L44 I83 E84 T89 C92 F96 L114 M115 R118L44-L87 HydrophobicContact CD1-CD2 3.6Å; L44-L87 HydrophobicContact CD1-CG 4.03Å; I83-L87 HydrophobicContact CG2-CD1 3.64Å; I83-L87 HydrophobicContact CG2-CG 4.01Å; I83-L87 WeakPolarHBondContact O-CG 3.32Å; I83-L87 PolarHBondContact O-N 2.84Å; E84-L87 PolarHBondContact O-N 3.04Å; L87-T89 VanDerWaalsContact C-N 3.28Å; L87-C92 HydrophobicContact CD2-CB 4.47Å; L87-F96 HydrophobicContact CD2-CB 3.88Å; L87-F96 HydrophobicContact CD2-CD1 3.25Å; L87-F96 HydrophobicContact CD2-CD2 4.3Å; L87-F96 HydrophobicContact CD2-CE1 3.76Å; L87-F96 HydrophobicContact CD2-CG 3.55Å; L87-F96 HydrophobicContact CD2-CZ 4.47Å; L87-L114 HydrophobicContact CD1-CD2 3.94Å; L87-M115 HydrophobicContact CD1-CE 3.81Å; L87-R118 PolarHBondContact O-NH2 3.31Å
88E90.6Very high92Very high138 Ų13851.5 Ų51.565%0.64526%0.26SS*.THydrogen-bonded Turntrans-79.7-9.3173.2-67178.5169.300113.3E84 N86E84-E88 PolarHBondContact O-N 3.48Å; N86-E88 PolarHBondContact O-N 2.85Å
89T90.3Very high92.4Very high47 Ų4750.9 Ų50.929%0.28826%0.257SS..SBendtrans-73.5150-179.468.30000112N86 L87 L91 C92N86-T89 WeakPolarHBondContact O-CB 3.27Å; N86-T89 VanDerWaalsContact O-CG2 3.31Å; N86-T89 WeakPolarHBondContact O-CG2 3.39Å; N86-T89 PolarHBondContact O-N 3.26Å; N86-T89 PolarHBondContact O-OG1 2.94Å; L87-T89 VanDerWaalsContact C-N 3.28Å; T89-L91 PolarHBondContact O-N 3.12Å; T89-L91 VanDerWaalsContact O-N 3.08Å; T89-C92 PolarHBondContact O-N 3.42Å
90P89.9Confident92.3Very high120 Ų12051.2 Ų51.278%0.77926%0.262SS*.G310 helixtrans-57.5-26.7178.2-26.334.8000114.2C92 K93P90-C92 PolarHBondContact O-N 3.47Å; P90-K93 WeakPolarHBondContact O-CB 3.3Å; P90-K93 PolarHBondContact O-N 2.99Å
91L89.4Confident92.4Very high136 Ų13650.6 Ų50.671%0.71226%0.259SS*.G310 helixtrans-63.7-28.2178.9-63.5174.3000112.6C42 T89C42-L91 HydrophobicContact CB-CB 4.07Å; C42-L91 PolarHBondContact N-O 3.01Å; T89-L91 PolarHBondContact O-N 3.12Å; T89-L91 VanDerWaalsContact O-N 3.08Å
92C93.3Very high92.7Very high3 Ų346 Ų462%0.0224%0.237CC..G310 helixtrans-93.84.3-177.9-60.80000113.4C42 N86 L87 T89 P90 N94 G95C42-C92 HydrophobicContact CB-CB 4.01Å; C42-C92 WeakPolarHBondContact CB-SG 3.45Å; C42-C92 WeakPolarHBondContact SG-CA 3.31Å; C42-C92 WeakPolarHBondContact SG-CB 3.48Å; C42-C92 CovalentContact SG-SG 2.03Å; C42-C92 PolarHBondContact SG-SG 3.28Å; N86-C92 PolarHBondContact O-SG 3.33Å; L87-C92 HydrophobicContact CD2-CB 4.47Å; T89-C92 PolarHBondContact O-N 3.42Å; P90-C92 PolarHBondContact O-N 3.47Å; C92-N94 VanDerWaalsContact C-N 3.25Å; C92-N94 PolarHBondContact O-N 2.98Å; C92-G95 CarbonylContact C-O 3.5Å; C92-G95 WeakPolarHBondContact CA-O 3.48Å; C92-G95 PolarHBondContact O-N 2.81Å
93K91.1Very high92.9Very high172 Ų17248.6 Ų48.675%0.74825%0.245SC*.THydrogen-bonded Turntrans-59.7-35.4-175.5-175-178176.3-171.80113P90 G95P90-K93 WeakPolarHBondContact O-CB 3.3Å; P90-K93 PolarHBondContact O-N 2.99Å; K93-G95 VanDerWaalsContact C-N 3.29Å
94N91.7Very high92.8Very high67 Ų6749.7 Ų49.736%0.35825%0.252SS..THydrogen-bonded Turntrans-85.1-4.9179.5-65.7-15.2000112.6G15 I16 C40 V41 C92G15-N94 CarbonylContact C-O 3.51Å; G15-N94 VanDerWaalsContact CA-O 3.22Å; G15-N94 WeakPolarHBondContact CA-O 3.42Å; I16-N94 PolarHBondContact N-O 3.41Å; C40-N94 VanDerWaalsContact O-CB 3.28Å; C40-N94 WeakPolarHBondContact O-CB 3.35Å; C40-N94 PolarHBondContact O-ND2 3.43Å; V41-N94 HydrophobicContact CG1-CB 4.38Å; C92-N94 VanDerWaalsContact C-N 3.25Å; C92-N94 PolarHBondContact O-N 2.98Å
95G95.1Very high92.9Very high0 Ų049.6 Ų49.60%025%0.254CS..  trans127.1-172.1-172.900000111.8I16 V41 C42 C92 K93I16-G95 CarbonylContact O-C 3.52Å; I16-G95 WeakPolarHBondContact O-CA 3.34Å; V41-G95 WeakPolarHBondContact CB-O 3.38Å; C42-G95 PolarHBondContact N-O 3.29Å; C92-G95 CarbonylContact C-O 3.5Å; C92-G95 WeakPolarHBondContact CA-O 3.48Å; C92-G95 PolarHBondContact O-N 2.81Å; K93-G95 VanDerWaalsContact C-N 3.29Å
96F96.5Very high93.1Very high1 Ų149.7 Ų49.70%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-155157.1-172.957.2-100.9000112.4I16 R17 A18 C42 L44 L87 L98 M115 L122I16-F96 PolarHBondContact O-N 3.38Å; I16-F96 VanDerWaalsContact O-O 3.12Å; R17-F96 WeakPolarHBondContact CA-O 3.46Å; R17-F96 HydrophobicContact CB-CD1 4.34Å; R17-F96 HydrophobicContact CB-CE1 3.88Å; R17-F96 HydrophobicContact CB-CE2 4.12Å; R17-F96 HydrophobicContact CB-CZ 3.75Å; R17-F96 HydrophobicContact CG-CD1 3.88Å; R17-F96 HydrophobicContact CG-CE1 3.58Å; R17-F96 HydrophobicContact CG-CZ 4.01Å; A18-F96 PolarHBondContact N-O 2.66Å; C42-F96 CarbonylContact O-C 3.57Å; C42-F96 VanDerWaalsContact O-CA 3.32Å; C42-F96 WeakPolarHBondContact O-CA 3.32Å; C42-F96 WeakPolarHBondContact SG-CB 3.44Å; L44-F96 HydrophobicContact CD1-CB 4.42Å; L87-F96 HydrophobicContact CD2-CB 3.88Å; L87-F96 HydrophobicContact CD2-CD1 3.25Å; L87-F96 HydrophobicContact CD2-CD2 4.3Å; L87-F96 HydrophobicContact CD2-CE1 3.76Å; L87-F96 HydrophobicContact CD2-CG 3.55Å; L87-F96 HydrophobicContact CD2-CZ 4.47Å; F96-L98 HydrophobicContact CD2-CD1 4.03Å; F96-L98 HydrophobicContact CD2-CD2 4.44Å; F96-L98 HydrophobicContact CD2-CG 3.72Å; F96-L98 HydrophobicContact CE2-CD1 3.59Å; F96-L98 HydrophobicContact CE2-CG 3.83Å; F96-M115 HydrophobicContact CE1-CE 4.16Å; F96-M115 HydrophobicContact CE1-SD 3.93Å; F96-M115 HydrophobicContact CZ-CE 4.01Å; F96-M115 HydrophobicContact CZ-SD 3.6Å; F96-M115 VanDerWaalsContact CZ-SD 3.6Å; F96-L122 HydrophobicContact CE2-CD1 3.86Å; F96-L122 HydrophobicContact CZ-CD1 4.11Å
97L97Very high93.2Very high0 Ų047.6 Ų47.60%024%0.24CC..EExtended strand (participates in β ladder)trans-117.6112.9166.7-69172.7000109.6I16 A18 L20 L35 A36 V41 C42 L44 F227I16-L97 HydrophobicContact CG2-CD2 4.42Å; A18-L97 HydrophobicContact CB-CD2 3.86Å; A18-L97 WeakPolarHBondContact O-CA 3.36Å; L20-L97 HydrophobicContact CD2-CD2 4.44Å; L35-L97 HydrophobicContact CB-CD1 3.44Å; L35-L97 VanDerWaalsContact CB-CD1 3.44Å; A36-L97 HydrophobicContact CB-CD1 4.14Å; V41-L97 HydrophobicContact CG2-CD1 4.14Å; V41-L97 HydrophobicContact CG2-CG 3.93Å; C42-L97 PolarHBondContact O-N 2.78Å; L44-L97 PolarHBondContact N-O 3.36Å; L97-F227 HydrophobicContact CD2-CE2 4.25Å; L97-F227 HydrophobicContact CD2-CZ 4.04Å
98L96.8Very high93.4Very high0 Ų047.4 Ų47.40%024%0.239CC..EExtended strand (participates in β ladder)trans-85.6114.1174-66.9166.8000109.6A18 V19 L20 L44 I83 F96 F101 L111A18-L98 PolarHBondContact O-N 3.02Å; V19-L98 HydrophobicContact CG2-CB 4.1Å; V19-L98 HydrophobicContact CG2-CD1 3.88Å; L20-L98 PolarHBondContact N-O 3.17Å; L44-L98 HydrophobicContact CB-CD2 4Å; L44-L98 HydrophobicContact CD1-CD2 4.04Å; I83-L98 HydrophobicContact CD1-CD2 3.6Å; I83-L98 HydrophobicContact CG1-CD2 4.23Å; I83-L98 HydrophobicContact CG2-CD2 3.93Å; F96-L98 HydrophobicContact CD2-CD1 4.03Å; F96-L98 HydrophobicContact CD2-CD2 4.44Å; F96-L98 HydrophobicContact CD2-CG 3.72Å; F96-L98 HydrophobicContact CE2-CD1 3.59Å; F96-L98 HydrophobicContact CE2-CG 3.83Å; L98-F101 WeakPolarHBondContact CB-O 3.37Å; L98-F101 HydrophobicContact CD1-CD1 4.25Å; L98-F101 HydrophobicContact CD2-CD1 4.4Å; L98-L111 HydrophobicContact CD1-CD1 3.9Å; L98-L111 HydrophobicContact CD1-CD2 3.61Å; L98-L111 HydrophobicContact CD1-CG 4.44Å
99D93.9Very high93.7Very high19 Ų1945.4 Ų45.410%0.10223%0.23CC..EExtended strand (participates in β ladder)trans-108.4114.2175.9-178.95000110.5K28 H43 L44 A45 T46K28-D99 WeakPolarHBondContact CB-OD1 3.22Å; K28-D99 WeakPolarHBondContact CD-OD1 3.47Å; K28-D99 WeakPolarHBondContact CE-OD1 3.32Å; H43-D99 WeakPolarHBondContact NE2-CB 3.49Å; H43-D99 IonicContact NE2-OD2 3.89Å; L44-D99 PolarHBondContact O-N 3.15Å; A45-D99 HydrophobicContact CB-CB 4.34Å; T46-D99 PolarHBondContact N-O 3.25Å; T46-D99 VanDerWaalsContact N-O 3.15Å; T46-D99 PolarHBondContact OG1-O 3.42Å
100G88.5Confident94Very high15 Ų1545.2 Ų45.216%0.15523%0.226CC..SBendtrans82.319.2179.300000114.2T46 R103T46-G100 PolarHBondContact OG1-O 3.28Å; G100-R103 WeakPolarHBondContact O-CG 3.28Å; G100-R103 PolarHBondContact O-NE 3.32Å
101F94.4Very high94.3Very high2 Ų239.5 Ų39.51%0.00919%0.189CC..  trans-148.5140.3169.8179-90.4000110.3T46 V79 V80 I83 L98 Q107 L111T46-F101 HydrophobicContact CG2-CB 3.51Å; T46-F101 HydrophobicContact CG2-CG 4.23Å; V79-F101 HydrophobicContact CB-CD2 4.34Å; V79-F101 HydrophobicContact CB-CE2 4.3Å; V79-F101 HydrophobicContact CG1-CD2 3.37Å; V79-F101 HydrophobicContact CG1-CE2 3.74Å; V79-F101 HydrophobicContact CG1-CG 4.22Å; V80-F101 HydrophobicContact CG2-CE2 3.97Å; V80-F101 HydrophobicContact CG2-CZ 3.64Å; I83-F101 HydrophobicContact CG1-CD1 4.08Å; I83-F101 HydrophobicContact CG1-CE1 4.34Å; I83-F101 HydrophobicContact CG1-CG 4.32Å; L98-F101 WeakPolarHBondContact CB-O 3.37Å; L98-F101 HydrophobicContact CD1-CD1 4.25Å; L98-F101 HydrophobicContact CD2-CD1 4.4Å; F101-Q107 HydrophobicContact CD2-CB 4.44Å; F101-Q107 HydrophobicContact CE2-CB 3.68Å; F101-Q107 HydrophobicContact CE2-CG 3.81Å; F101-Q107 HydrophobicContact CZ-CB 4Å; F101-L111 HydrophobicContact CD1-CD2 4.47Å; F101-L111 HydrophobicContact CE1-CB 3.95Å; F101-L111 HydrophobicContact CE1-CD1 4.17Å; F101-L111 HydrophobicContact CE1-CD2 4.11Å; F101-L111 HydrophobicContact CE1-CG 4.29Å; F101-L111 HydrophobicContact CZ-CB 4.43Å
102P95.7Very high94.6Very high1 Ų133.6 Ų33.61%0.00616%0.158CC..  cis-73.6163-6.129.9-32.9000112.8Q107 A108 L111 L197 Y201P102-Q107 HydrophobicContact CB-CB 3.5Å; P102-Q107 VanDerWaalsContact CB-CB 3.5Å; P102-A108 HydrophobicContact CB-CB 4.24Å; P102-A108 HydrophobicContact CG-CB 3.88Å; P102-L111 HydrophobicContact CG-CD2 4.46Å; P102-L197 HydrophobicContact CB-CD1 4.25Å; P102-L197 HydrophobicContact CG-CD1 4.1Å; P102-L197 HydrophobicContact CG-CD2 4.44Å; P102-L197 WeakPolarHBondContact O-CD1 3.5Å; P102-Y201 HydrophobicContact CG-CE2 4.15Å; P102-Y201 WeakPolarHBondContact CG-OH 3.31Å
103R93.9Very high94.7Very high80 Ų8038.5 Ų38.530%0.30218%0.184SC..  trans-118.1-12.7175.9-63.3-171.6-172.6-176.46114L73 G100 Q193 T194L73-R103 HydrophobicContact CD1-CB 3.87Å; L73-R103 VanDerWaalsContact CD2-CD 3.42Å; G100-R103 WeakPolarHBondContact O-CG 3.28Å; G100-R103 PolarHBondContact O-NE 3.32Å; R103-Q193 CarbonylContact O-C 2.94Å; R103-Q193 VanDerWaalsContact O-O 3.05Å; R103-T194 WeakPolarHBondContact O-CA 3.46Å; R103-T194 PolarHBondContact O-N 3.24Å; R103-T194 PolarHBondContact O-OG1 3.37Å
104T92.9Very high94.9Very high23 Ų2330.7 Ų30.714%0.14115%0.151CC..SBendtrans-133.8156.2177.672.50000109.3L73 R106 Q107 A108 Q193 L197L73-T104 HydrophobicContact CD1-CG2 3.95Å; T104-R106 VanDerWaalsContact C-N 3.26Å; T104-R106 PolarHBondContact O-N 3.05Å; T104-Q107 WeakPolarHBondContact O-CB 3.45Å; T104-Q107 PolarHBondContact O-N 3.03Å; T104-Q107 VanDerWaalsContact O-N 3.12Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.23Å; T104-Q107 PolarHBondContact OG1-N 3.25Å; T104-Q107 VanDerWaalsContact OG1-N 3.15Å; T104-A108 PolarHBondContact O-N 3.35Å; T104-A108 VanDerWaalsContact O-N 3.13Å; T104-Q193 HydrophobicContact CG2-CB 4.31Å; T104-L197 WeakPolarHBondContact O-CD2 3.43Å
105V94.3Very high95.1Very high46 Ų4627.8 Ų27.828%0.27914%0.135SC..Hα-helixtrans-57.1-41.8176.4176.80000111.3Q107 A108 E109 P196 L197 Y200V105-Q107 VanDerWaalsContact C-N 3.32Å; V105-Q107 PolarHBondContact O-N 3.04Å; V105-A108 WeakPolarHBondContact O-CA 3.36Å; V105-A108 WeakPolarHBondContact O-CB 3.15Å; V105-A108 PolarHBondContact O-N 2.82Å; V105-E109 HydrophobicContact CG1-CG 4.43Å; V105-E109 PolarHBondContact O-N 2.74Å; V105-P196 HydrophobicContact CG2-CB 3.88Å; V105-L197 HydrophobicContact CG2-CD2 4.24Å; V105-Y200 HydrophobicContact CG1-CD2 3.93Å; V105-Y200 HydrophobicContact CG1-CE2 4.23Å
106R94.8Very high95.1Very high122 Ų12234.7 Ų34.746%0.4617%0.167SC..Hα-helixtrans-56.5-43.4175.3-175.4174.2-178.2-124.71112.7D76 E77 T104 A108 E109 M110D76-R106 WeakPolarHBondContact OD2-CD 3.45Å; D76-R106 IonicContact OD2-CZ 3.73Å; D76-R106 IonicContact OD2-NE 3.25Å; D76-R106 IonicContact OD2-NH1 2.77Å; D76-R106 PolarHBondContact OD2-NH1 2.81Å; E77-R106 IonicContact OE1-CZ 3.53Å; E77-R106 IonicContact OE1-NH1 3.86Å; E77-R106 PolarHBondContact OE1-NH1 2.84Å; E77-R106 IonicContact OE1-NH2 3.36Å; E77-R106 PolarHBondContact OE1-NH2 3.15Å; T104-R106 VanDerWaalsContact C-N 3.26Å; T104-R106 PolarHBondContact O-N 3.05Å; R106-A108 VanDerWaalsContact C-N 3.26Å; R106-A108 PolarHBondContact O-N 3.16Å; R106-E109 PolarHBondContact O-N 3.01Å; R106-M110 HydrophobicContact CG-SD 4.36Å; R106-M110 VanDerWaalsContact O-CG 3.25Å; R106-M110 WeakPolarHBondContact O-CG 3.37Å; R106-M110 PolarHBondContact O-N 3.4Å
107Q95.3Very high95Very high4 Ų441.6 Ų41.62%0.01920%0.197CC..Hα-helixtrans-65.2-31.2174.7-73.1177.72.200112.5D76 F101 P102 T104 V105 L111D76-Q107 HydrophobicContact CB-CG 3.85Å; D76-Q107 VanDerWaalsContact OD1-CG 3.27Å; D76-Q107 WeakPolarHBondContact OD1-CG 3.44Å; D76-Q107 PolarHBondContact OD1-NE2 2.89Å; F101-Q107 HydrophobicContact CD2-CB 4.44Å; F101-Q107 HydrophobicContact CE2-CB 3.68Å; F101-Q107 HydrophobicContact CE2-CG 3.81Å; F101-Q107 HydrophobicContact CZ-CB 4Å; P102-Q107 HydrophobicContact CB-CB 3.5Å; P102-Q107 VanDerWaalsContact CB-CB 3.5Å; T104-Q107 WeakPolarHBondContact O-CB 3.45Å; T104-Q107 PolarHBondContact O-N 3.03Å; T104-Q107 VanDerWaalsContact O-N 3.12Å; T104-Q107 WeakPolarHBondContact OG1-CG 3.23Å; T104-Q107 PolarHBondContact OG1-N 3.25Å; T104-Q107 VanDerWaalsContact OG1-N 3.15Å; V105-Q107 VanDerWaalsContact C-N 3.32Å; V105-Q107 PolarHBondContact O-N 3.04Å; Q107-L111 WeakPolarHBondContact O-CB 3.31Å; Q107-L111 PolarHBondContact O-N 3.41Å
108A96.6Very high94.8Very high0 Ų045 Ų450%021%0.21CC..Hα-helixtrans-68.7-44.8175.800000111.5P102 T104 V105 R106 L111 D112 L197 Y200P102-A108 HydrophobicContact CB-CB 4.24Å; P102-A108 HydrophobicContact CG-CB 3.88Å; T104-A108 PolarHBondContact O-N 3.35Å; T104-A108 VanDerWaalsContact O-N 3.13Å; V105-A108 WeakPolarHBondContact O-CA 3.36Å; V105-A108 WeakPolarHBondContact O-CB 3.15Å; V105-A108 PolarHBondContact O-N 2.82Å; R106-A108 VanDerWaalsContact C-N 3.26Å; R106-A108 PolarHBondContact O-N 3.16Å; A108-L111 WeakPolarHBondContact O-CB 3.32Å; A108-L111 PolarHBondContact O-N 3.23Å; A108-D112 VanDerWaalsContact O-CG 3.3Å; A108-D112 PolarHBondContact O-N 3.13Å; A108-L197 HydrophobicContact CB-CD2 3.47Å; A108-L197 VanDerWaalsContact CB-CD2 3.47Å; A108-Y200 HydrophobicContact CB-CD1 3.85Å; A108-Y200 HydrophobicContact CB-CE1 3.57Å
109E96.1Very high94.7Very high95 Ų9554.5 Ų54.544%0.44425%0.252SS..Hα-helixtrans-59.4-46.5174-66.8167.216600110.5V105 R106 L111 D112 D113 Y200V105-E109 HydrophobicContact CG1-CG 4.43Å; V105-E109 PolarHBondContact O-N 2.74Å; R106-E109 PolarHBondContact O-N 3.01Å; E109-L111 VanDerWaalsContact C-N 3.3Å; E109-L111 PolarHBondContact O-N 3.38Å; E109-D112 WeakPolarHBondContact O-CB 3.47Å; E109-D112 PolarHBondContact O-N 3.34Å; E109-D113 PolarHBondContact O-N 2.93Å; E109-Y200 HydrophobicContact CG-CE2 4.17Å
110M96.6Very high94.7Very high43 Ų4355.6 Ų55.621%0.21226%0.256CS..Hα-helixtrans-63.1-34.6175.9-66.8175.180.300113.1D76 E77 V80 R106 D112 L114D76-M110 HydrophobicContact CB-SD 4Å; E77-M110 HydrophobicContact CG-CE 4.32Å; V80-M110 HydrophobicContact CB-CE 4.07Å; V80-M110 HydrophobicContact CG1-CB 4.48Å; V80-M110 HydrophobicContact CG1-CE 4.28Å; V80-M110 HydrophobicContact CG2-CB 3.81Å; V80-M110 HydrophobicContact CG2-CE 3.81Å; V80-M110 HydrophobicContact CG2-SD 4.03Å; R106-M110 HydrophobicContact CG-SD 4.36Å; R106-M110 VanDerWaalsContact O-CG 3.25Å; R106-M110 WeakPolarHBondContact O-CG 3.37Å; R106-M110 PolarHBondContact O-N 3.4Å; M110-D112 VanDerWaalsContact C-N 3.32Å; M110-L114 WeakPolarHBondContact O-CB 3.25Å; M110-L114 PolarHBondContact O-N 3.15Å; M110-L114 VanDerWaalsContact O-N 3.12Å
111L96.5Very high94.9Very high1 Ų161.7 Ų61.71%0.00528%0.278CS..Hα-helixtrans-66.4-38.2173.3176.859.1000110.8V19 L98 F101 P102 Q107 A108 E109 L114 M115V19-L111 HydrophobicContact CG2-CD2 4.09Å; L98-L111 HydrophobicContact CD1-CD1 3.9Å; L98-L111 HydrophobicContact CD1-CD2 3.61Å; L98-L111 HydrophobicContact CD1-CG 4.44Å; F101-L111 HydrophobicContact CD1-CD2 4.47Å; F101-L111 HydrophobicContact CE1-CB 3.95Å; F101-L111 HydrophobicContact CE1-CD1 4.17Å; F101-L111 HydrophobicContact CE1-CD2 4.11Å; F101-L111 HydrophobicContact CE1-CG 4.29Å; F101-L111 HydrophobicContact CZ-CB 4.43Å; P102-L111 HydrophobicContact CG-CD2 4.46Å; Q107-L111 WeakPolarHBondContact O-CB 3.31Å; Q107-L111 PolarHBondContact O-N 3.41Å; A108-L111 WeakPolarHBondContact O-CB 3.32Å; A108-L111 PolarHBondContact O-N 3.23Å; E109-L111 VanDerWaalsContact C-N 3.3Å; E109-L111 PolarHBondContact O-N 3.38Å; L111-L114 WeakPolarHBondContact O-CB 3.26Å; L111-L114 PolarHBondContact O-N 2.93Å; L111-M115 HydrophobicContact CD1-CE 4.06Å; L111-M115 HydrophobicContact CD1-CG 4.37Å; L111-M115 VanDerWaalsContact O-CG 3.3Å; L111-M115 WeakPolarHBondContact O-CG 3.37Å; L111-M115 PolarHBondContact O-N 3.35Å
112D95.3Very high95Very high12 Ų1262.1 Ų62.16%0.06428%0.281CS..Hα-helixtrans-66.2-46177.5-69.8-40.8000112.1A108 E109 M110 L114 M115 E116 Y200 R204A108-D112 VanDerWaalsContact O-CG 3.3Å; A108-D112 PolarHBondContact O-N 3.13Å; E109-D112 WeakPolarHBondContact O-CB 3.47Å; E109-D112 PolarHBondContact O-N 3.34Å; M110-D112 VanDerWaalsContact C-N 3.32Å; D112-L114 PolarHBondContact O-N 2.99Å; D112-M115 PolarHBondContact O-N 3.38Å; D112-E116 WeakPolarHBondContact O-CG 3.46Å; D112-E116 PolarHBondContact O-N 3.14Å; D112-Y200 WeakPolarHBondContact OD2-CE1 3.41Å; D112-Y200 PolarHBondContact OD2-OH 3.24Å; D112-R204 IonicContact OD1-CZ 3.15Å; D112-R204 IonicContact OD1-NH1 2.65Å; D112-R204 PolarHBondContact OD1-NH1 3.07Å; D112-R204 IonicContact OD1-NH2 2.82Å; D112-R204 PolarHBondContact OD1-NH2 3.2Å; D112-R204 IonicContact OD2-CZ 3.35Å; D112-R204 IonicContact OD2-NH1 2.68Å; D112-R204 PolarHBondContact OD2-NH1 3.01Å; D112-R204 IonicContact OD2-NH2 3.65Å
113D96.3Very high95Very high105 Ų10563 Ų6356%0.56129%0.285SS*.Hα-helixtrans-55.3-40.9173.2-66-22.1000111.1E109 E116 K117E109-D113 PolarHBondContact O-N 2.93Å; D113-E116 PolarHBondContact O-N 3.16Å; D113-K117 WeakPolarHBondContact O-CB 3.37Å; D113-K117 PolarHBondContact O-N 3.12Å
114L94.8Very high95.1Very high9 Ų959.2 Ų59.25%0.04727%0.271CS..Hα-helixtrans-66.1-41.3176.5179.260.7000112.2I83 E84 L87 M110 L111 D112 R118I83-L114 HydrophobicContact CG2-CD2 4.31Å; E84-L114 HydrophobicContact CB-CD1 4.03Å; E84-L114 HydrophobicContact CB-CD2 4.01Å; E84-L114 HydrophobicContact CG-CD1 3.72Å; L87-L114 HydrophobicContact CD1-CD2 3.94Å; M110-L114 WeakPolarHBondContact O-CB 3.25Å; M110-L114 PolarHBondContact O-N 3.15Å; M110-L114 VanDerWaalsContact O-N 3.12Å; L111-L114 WeakPolarHBondContact O-CB 3.26Å; L111-L114 PolarHBondContact O-N 2.93Å; D112-L114 PolarHBondContact O-N 2.99Å; L114-R118 HydrophobicContact CD1-CG 4.4Å; L114-R118 WeakPolarHBondContact O-CB 3.34Å; L114-R118 WeakPolarHBondContact O-CD 3.06Å; L114-R118 WeakPolarHBondContact O-CG 3.32Å; L114-R118 PolarHBondContact O-N 2.96Å; L114-R118 VanDerWaalsContact O-N 3.15Å
115M95Very high95.3Very high5 Ų558.1 Ų58.13%0.02527%0.265CS..Hα-helixtrans-65.3-42.5176-69.6-57.896.300111.4L87 F96 L111 D112 R118 K119 E120L87-M115 HydrophobicContact CD1-CE 3.81Å; F96-M115 HydrophobicContact CE1-CE 4.16Å; F96-M115 HydrophobicContact CE1-SD 3.93Å; F96-M115 HydrophobicContact CZ-CE 4.01Å; F96-M115 HydrophobicContact CZ-SD 3.6Å; F96-M115 VanDerWaalsContact CZ-SD 3.6Å; L111-M115 HydrophobicContact CD1-CE 4.06Å; L111-M115 HydrophobicContact CD1-CG 4.37Å; L111-M115 VanDerWaalsContact O-CG 3.3Å; L111-M115 WeakPolarHBondContact O-CG 3.37Å; L111-M115 PolarHBondContact O-N 3.35Å; D112-M115 PolarHBondContact O-N 3.38Å; M115-R118 CarbonylContact O-C 3.44Å; M115-R118 PolarHBondContact O-N 2.8Å; M115-K119 PolarHBondContact O-N 3.02Å; M115-E120 CarbonylContact C-O 3.57Å; M115-E120 PolarHBondContact O-N 3.49Å; M115-E120 HydrophobicContact SD-CB 4.17Å
116E95.6Very high95.5Very high145 Ų14556 Ų5668%0.67825%0.251SS*.Hα-helixtrans-61.8-47.1176-72.8-172.3178.300112D112 D113 R118 K119D112-E116 WeakPolarHBondContact O-CG 3.46Å; D112-E116 PolarHBondContact O-N 3.14Å; D113-E116 PolarHBondContact O-N 3.16Å; E116-R118 PolarHBondContact O-N 3.02Å; E116-K119 PolarHBondContact O-N 2.83Å
117K95.3Very high95.6Very high147 Ų14751 Ų5164%0.63923%0.234SC*.Hα-helixtrans-55-37.7174.8-179.7-175.7173.3-167.90111.9E84 D113 K119E84-K117 IonicContact OE1-NZ 2.97Å; E84-K117 PolarHBondContact OE1-NZ 2.95Å; D113-K117 WeakPolarHBondContact O-CB 3.37Å; D113-K117 PolarHBondContact O-N 3.12Å; K117-K119 VanDerWaalsContact C-N 3.33Å
118R92.7Very high95.7Very high71 Ų7150.9 Ų50.927%0.26823%0.233SC..Hα-helixtrans-84.4-6.5179.4-66.2173.465.798.91.7113.4L87 L114 M115 E116 E120L87-R118 PolarHBondContact O-NH2 3.31Å; L114-R118 HydrophobicContact CD1-CG 4.4Å; L114-R118 WeakPolarHBondContact O-CB 3.34Å; L114-R118 WeakPolarHBondContact O-CD 3.06Å; L114-R118 WeakPolarHBondContact O-CG 3.32Å; L114-R118 PolarHBondContact O-N 2.96Å; L114-R118 VanDerWaalsContact O-N 3.15Å; M115-R118 CarbonylContact O-C 3.44Å; M115-R118 PolarHBondContact O-N 2.8Å; E116-R118 PolarHBondContact O-N 3.02Å; R118-E120 HydrophobicContact CB-CB 4.36Å; R118-E120 HydrophobicContact CB-CG 3.95Å; R118-E120 IonicContact CZ-OE2 3.56Å; R118-E120 IonicContact NE-OE2 2.69Å; R118-E120 PolarHBondContact NE-OE2 3.34Å; R118-E120 IonicContact NH2-OE2 2.6Å; R118-E120 PolarHBondContact NH2-OE2 3.44Å; R118-E120 PolarHBondContact O-N 2.03Å
119K94.9Very high95.6Very high200 Ų20053.7 Ų53.787%0.8725%0.253SS*.THydrogen-bonded Turntrans55.435.3-171.6-54.6179.4179.8179.70112.2M115 E116 K117M115-K119 PolarHBondContact O-N 3.02Å; E116-K119 PolarHBondContact O-N 2.83Å; K117-K119 VanDerWaalsContact C-N 3.33Å
120E93.6Very high95.4Very high42 Ų4249.9 Ų49.920%0.19624%0.235CC..  trans-109.6163.4176-61.7-172.411500109.4R17 M115 R118R17-E120 IonicContact CZ-OE1 2.78Å; R17-E120 VanDerWaalsContact CZ-OE1 3.31Å; R17-E120 IonicContact NE-OE1 3.75Å; R17-E120 PolarHBondContact NE-OE1 3.06Å; R17-E120 IonicContact NH2-OE1 3.61Å; R17-E120 PolarHBondContact NH2-OE1 2.95Å; M115-E120 CarbonylContact C-O 3.57Å; M115-E120 PolarHBondContact O-N 3.49Å; M115-E120 HydrophobicContact SD-CB 4.17Å; R118-E120 HydrophobicContact CB-CB 4.36Å; R118-E120 HydrophobicContact CB-CG 3.95Å; R118-E120 IonicContact CZ-OE2 3.56Å; R118-E120 IonicContact NE-OE2 2.69Å; R118-E120 PolarHBondContact NE-OE2 3.34Å; R118-E120 IonicContact NH2-OE2 2.6Å; R118-E120 PolarHBondContact NH2-OE2 3.44Å; R118-E120 PolarHBondContact O-N 2.03Å
121K93.6Very high95.1Very high142 Ų14251.2 Ų51.262%0.61725%0.247SC*.  trans-126.7150.5173.966.3173.3-172.5166.30109.9R17 D123R17-K121 WeakPolarHBondContact CD-O 3.4Å; K121-D123 WeakPolarHBondContact CE-OD1 3.41Å
122L95.4Very high94.8Very high11 Ų1154.1 Ų54.16%0.05826%0.262CS..  trans-80127.8167.9-161.270.5000108.9R17 V19 F96 V125 Y201 I206R17-L122 HydrophobicContact CB-CD1 4.33Å; R17-L122 WeakPolarHBondContact O-CD1 3.12Å; V19-L122 HydrophobicContact CB-CD2 4.42Å; V19-L122 HydrophobicContact CG2-CD1 4.05Å; V19-L122 HydrophobicContact CG2-CD2 3.71Å; F96-L122 HydrophobicContact CE2-CD1 3.86Å; F96-L122 HydrophobicContact CZ-CD1 4.11Å; L122-V125 HydrophobicContact CD2-CG2 3.6Å; L122-Y201 HydrophobicContact CD2-CE1 4.1Å; L122-I206 HydrophobicContact CB-CD1 4.16Å; L122-I206 HydrophobicContact CD2-CD1 3.94Å; L122-I206 HydrophobicContact CG-CD1 4.34Å
123D95.7Very high94.4Very high20 Ų2058 Ų5811%0.10729%0.291CS..  trans-84.7-40.1-177.2-60.1-54.9000111.2I16 R17 K121I16-D123 HydrophobicContact CG1-CB 4.14Å; R17-D123 PolarHBondContact N-OD2 2.7Å; R17-D123 PolarHBondContact O-N 3.17Å; K121-D123 WeakPolarHBondContact CE-OD1 3.41Å
124S96.4Very high93.9Very high1 Ų156.8 Ų56.81%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-155.1151-174.1-171.90000113.7R17 A18 V19R17-S124 PolarHBondContact O-N 3.28Å; A18-S124 CarbonylContact C-O 3.55Å; A18-S124 WeakPolarHBondContact CA-O 3.25Å; A18-S124 VanDerWaalsContact CB-O 3.27Å; A18-S124 WeakPolarHBondContact CB-O 3.41Å; V19-S124 PolarHBondContact N-O 2.72Å
125V97.6Very high93.7Very high0 Ų056.3 Ų56.30%028%0.281CS..EExtended strand (participates in β ladder)trans-125.2115.8169.5-177.90000109.1V19 L21 L122 Y201 I206 H207 S208V19-V125 HydrophobicContact CB-CB 4.49Å; V19-V125 HydrophobicContact CB-CG1 4.15Å; V19-V125 HydrophobicContact CB-CG2 4.08Å; V19-V125 HydrophobicContact CG1-CG1 4.13Å; V19-V125 WeakPolarHBondContact O-CA 3.38Å; L21-V125 HydrophobicContact CD1-CG1 3.49Å; L21-V125 VanDerWaalsContact CD1-CG1 3.49Å; L21-V125 HydrophobicContact CG-CG1 3.68Å; L122-V125 HydrophobicContact CD2-CG2 3.6Å; V125-Y201 HydrophobicContact CB-CD2 4.25Å; V125-Y201 HydrophobicContact CB-CG 4.1Å; V125-Y201 HydrophobicContact CG1-CD2 3.72Å; V125-Y201 HydrophobicContact CG1-CE2 4.14Å; V125-Y201 HydrophobicContact CG1-CG 4.07Å; V125-Y201 HydrophobicContact CG2-CD1 3.59Å; V125-Y201 HydrophobicContact CG2-CD2 3.94Å; V125-Y201 HydrophobicContact CG2-CE1 3.84Å; V125-Y201 HydrophobicContact CG2-CE2 4.16Å; V125-Y201 HydrophobicContact CG2-CG 3.63Å; V125-I206 HydrophobicContact CG2-CD1 4Å; V125-I206 HydrophobicContact CG2-CG1 4.12Å; V125-I206 PolarHBondContact N-O 3.29Å; V125-H207 CarbonylContact O-C 3.58Å; V125-H207 WeakPolarHBondContact O-CA 3.16Å; V125-S208 PolarHBondContact O-N 3.39Å
126I97.8Very high93.4Very high0 Ų059.1 Ų59.10%030%0.296CS..EExtended strand (participates in β ladder)trans-99.9119.9180-59-59.3000109.7V19 L20 L21 F128 S208 I210 I223 A226 F227V19-I126 PolarHBondContact O-N 3.08Å; L20-I126 HydrophobicContact CD2-CB 4.06Å; L20-I126 HydrophobicContact CD2-CG1 4.39Å; L21-I126 PolarHBondContact N-O 3.07Å; I126-F128 HydrophobicContact CG2-CD2 4.04Å; I126-F128 HydrophobicContact CG2-CE2 3.83Å; I126-S208 CarbonylContact C-O 3.57Å; I126-S208 WeakPolarHBondContact CA-O 3.23Å; I126-I210 HydrophobicContact CG2-CG1 3.78Å; I126-I210 HydrophobicContact CG2-CG2 4.41Å; I126-I223 HydrophobicContact CG1-CG2 4.22Å; I126-I223 HydrophobicContact CG2-CG1 4.07Å; I126-A226 HydrophobicContact CD1-CB 3.6Å; I126-F227 HydrophobicContact CD1-CD1 4.03Å; I126-F227 HydrophobicContact CD1-CE1 3.78Å; I126-F227 HydrophobicContact CG1-CD1 4.1Å; I126-F227 HydrophobicContact CG1-CE1 3.33Å; I126-F227 HydrophobicContact CG1-CZ 3.88Å
127E96.8Very high92.9Very high19 Ų1959.1 Ų59.19%0.08929%0.29CS..EExtended strand (participates in β ladder)trans-94.7120.6171.3-179.2-163.5167.900110.5L21 S129 I198 H207 S208 A209 I210L21-E127 CarbonylContact O-C 3.49Å; L21-E127 WeakPolarHBondContact O-CA 3.23Å; E127-S129 PolarHBondContact O-N 3.35Å; E127-I198 VanDerWaalsContact CD-CD1 3.47Å; E127-I198 HydrophobicContact CG-CD1 4.33Å; E127-I198 HydrophobicContact CG-CG1 4.42Å; E127-I198 VanDerWaalsContact OE1-CD1 3.26Å; E127-I198 WeakPolarHBondContact OE1-CD1 3.4Å; E127-H207 WeakPolarHBondContact CB-NE2 3.49Å; E127-H207 IonicContact OE2-CD2 3.55Å; E127-H207 IonicContact OE2-CE1 3.28Å; E127-H207 PolarHBondContact OE2-CE1 2.89Å; E127-H207 VanDerWaalsContact OE2-CE1 3.28Å; E127-H207 IonicContact OE2-NE2 2.72Å; E127-H207 PolarHBondContact OE2-NE2 3.49Å; E127-S208 PolarHBondContact N-O 3.26Å; E127-A209 HydrophobicContact CB-CB 4.24Å; E127-A209 WeakPolarHBondContact O-CA 3.3Å; E127-I210 PolarHBondContact O-N 2.93Å
128F97Very high92.6Very high1 Ų154.6 Ų54.60%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-8393.7170.8-73.6-117.3000109.5L20 L21 P23 A26 K28 Q31 I126 I210 A212 V219 I223L20-F128 HydrophobicContact CB-CE2 4.24Å; L20-F128 HydrophobicContact CD2-CE2 4.22Å; L21-F128 WeakPolarHBondContact O-CD2 3.46Å; L21-F128 PolarHBondContact O-N 3.27Å; P23-F128 WeakPolarHBondContact CD-O 3.3Å; A26-F128 HydrophobicContact CB-CB 3.75Å; A26-F128 HydrophobicContact CB-CG 4.5Å; A26-F128 WeakPolarHBondContact O-CD1 3.44Å; K28-F128 HydrophobicContact CG-CD1 4.41Å; K28-F128 HydrophobicContact CG-CD2 3.92Å; K28-F128 HydrophobicContact CG-CE1 4.49Å; K28-F128 HydrophobicContact CG-CE2 4.04Å; K28-F128 HydrophobicContact CG-CG 4.13Å; K28-F128 HydrophobicContact CG-CZ 4.32Å; Q31-F128 HydrophobicContact CB-CE1 4.25Å; Q31-F128 HydrophobicContact CB-CZ 3.97Å; Q31-F128 HydrophobicContact CG-CE1 3.72Å; Q31-F128 HydrophobicContact CG-CZ 3.92Å; I126-F128 HydrophobicContact CG2-CD2 4.04Å; I126-F128 HydrophobicContact CG2-CE2 3.83Å; F128-I210 HydrophobicContact CB-CD1 4.33Å; F128-I210 HydrophobicContact CD1-CD1 3.9Å; F128-I210 HydrophobicContact CD2-CD1 4.44Å; F128-I210 HydrophobicContact CE1-CD1 4.32Å; F128-I210 HydrophobicContact CG-CD1 3.97Å; F128-A212 HydrophobicContact CB-CB 3.76Å; F128-A212 HydrophobicContact CD1-CB 3.81Å; F128-A212 HydrophobicContact CG-CB 4.22Å; F128-V219 HydrophobicContact CD1-CG1 4.5Å; F128-V219 HydrophobicContact CE1-CG1 3.97Å; F128-I223 HydrophobicContact CE1-CD1 4.14Å; F128-I223 HydrophobicContact CE2-CD1 4.13Å; F128-I223 HydrophobicContact CZ-CD1 3.51Å
129S94.1Very high92.5Very high59 Ų5951.2 Ų51.241%0.41326%0.256SS..EExtended strand (participates in β ladder)trans-82.5123.4179.4-164.60000110.5E127 I210 A212E127-S129 PolarHBondContact O-N 3.35Å; S129-I210 WeakPolarHBondContact CB-O 3.49Å; S129-I210 PolarHBondContact N-O 3.19Å; S129-A212 WeakPolarHBondContact O-CB 3.05Å; S129-A212 PolarHBondContact O-N 3.05Å
130I92.6Very high92.2Very high14 Ų1444.5 Ų44.57%0.07223%0.231CC..  trans-156.4140.4179.5-175.6168.3000110.6P23 A26 L134 L135 R138 A212P23-I130 HydrophobicContact CG-CG2 3.86Å; A26-I130 HydrophobicContact CB-CG2 3.81Å; I130-L134 HydrophobicContact CD1-CB 3.98Å; I130-L134 HydrophobicContact CD1-CD1 4.27Å; I130-L134 HydrophobicContact CG1-CB 4.11Å; I130-L134 HydrophobicContact CG1-CD1 4.1Å; I130-L135 HydrophobicContact CD1-CD2 4.13Å; I130-L135 HydrophobicContact CG1-CD2 4.46Å; I130-L135 HydrophobicContact CG2-CD1 4.23Å; I130-L135 HydrophobicContact CG2-CD2 3.58Å; I130-L135 HydrophobicContact CG2-CG 4.1Å; I130-R138 VanDerWaalsContact CD1-CZ 3.42Å; I130-A212 HydrophobicContact CB-CB 4.17Å
131P90.6Very high92Very high71 Ų7142.7 Ų42.746%0.46122%0.224SC..  trans-63.2139.3174.6-2434.2000113.7S133 L134P131-S133 PolarHBondContact O-N 3.2Å; P131-S133 VanDerWaalsContact O-N 3.15Å; P131-L134 PolarHBondContact O-N 3.31Å
132D89.6Confident92Very high62 Ų6237.6 Ų37.633%0.33220%0.201SC..Hα-helixtrans-55.3-33.7178.9-76.47.5000113.5L134 L135 L187 H191D132-L134 PolarHBondContact O-N 3.01Å; D132-L135 WeakPolarHBondContact O-CB 3.34Å; D132-L135 PolarHBondContact O-N 3.21Å; D132-L187 HydrophobicContact CB-CD1 4.45Å; D132-H191 IonicContact OD1-CE1 2.77Å; D132-H191 IonicContact OD1-NE2 3.34Å; D132-H191 PolarHBondContact OD1-NE2 2.86Å; D132-H191 VanDerWaalsContact OD1-NE2 3.16Å; D132-H191 IonicContact OD2-CD2 2.85Å; D132-H191 IonicContact OD2-CE1 3.31Å; D132-H191 IonicContact OD2-NE2 3.95Å; D132-H191 PolarHBondContact OD2-NE2 2.88Å
133S87.1Confident91.9Very high95 Ų9537.3 Ų37.366%0.66420%0.199SC*.Hα-helixtrans-59.6-29.3178.855.70000113.2P131P131-S133 PolarHBondContact O-N 3.2Å; P131-S133 VanDerWaalsContact O-N 3.15Å
134L86.8Confident91.7Very high78 Ų7836.6 Ų36.641%0.40820%0.196SC..Hα-helixtrans-83.1-21177.4-60.3-177.1000112.7I130 P131 D132 R138I130-L134 HydrophobicContact CD1-CB 3.98Å; I130-L134 HydrophobicContact CD1-CD1 4.27Å; I130-L134 HydrophobicContact CG1-CB 4.11Å; I130-L134 HydrophobicContact CG1-CD1 4.1Å; P131-L134 PolarHBondContact O-N 3.31Å; D132-L134 PolarHBondContact O-N 3.01Å; L134-R138 WeakPolarHBondContact O-CG 3.03Å; L134-R138 PolarHBondContact O-N 3.33Å
135L90.5Very high91.4Very high0 Ų036.7 Ų36.70%020%0.196CC..Hα-helixtrans-75.8-30.4-173.7-66.2177.3000113.3P23 P24 G25 A26 I130 D132 R138 I139 L187P23-L135 HydrophobicContact CB-CD1 3.6Å; P23-L135 HydrophobicContact CG-CD1 3.45Å; P23-L135 VanDerWaalsContact CG-CD1 3.45Å; P23-L135 HydrophobicContact CG-CD2 4.37Å; P24-L135 WeakPolarHBondContact O-CD2 3.43Å; G25-L135 VanDerWaalsContact C-CD2 3.49Å; A26-L135 HydrophobicContact CB-CD2 4.47Å; I130-L135 HydrophobicContact CD1-CD2 4.13Å; I130-L135 HydrophobicContact CG1-CD2 4.46Å; I130-L135 HydrophobicContact CG2-CD1 4.23Å; I130-L135 HydrophobicContact CG2-CD2 3.58Å; I130-L135 HydrophobicContact CG2-CG 4.1Å; D132-L135 WeakPolarHBondContact O-CB 3.34Å; D132-L135 PolarHBondContact O-N 3.21Å; L135-R138 PolarHBondContact O-N 3.38Å; L135-I139 WeakPolarHBondContact O-CB 3.31Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 2.83Å; L135-L187 HydrophobicContact CD1-CD2 3.51Å
136I87.6Confident90.9Very high64 Ų6440.4 Ų40.433%0.32822%0.22SC..Hα-helixtrans-59.4-56.8-180-59.2176.9000110.1R138 I139 T140 E180 L183I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 3.41Å; I136-I139 PolarHBondContact O-N 3.16Å; I136-T140 WeakPolarHBondContact O-CG2 3.5Å; I136-T140 PolarHBondContact O-N 3.14Å; I136-T140 VanDerWaalsContact O-N 3.07Å; I136-T140 PolarHBondContact O-OG1 3.19Å; I136-T140 VanDerWaalsContact O-OG1 3.11Å; I136-E180 HydrophobicContact CG2-CG 4.45Å; I136-L183 HydrophobicContact CB-CD2 4.19Å; I136-L183 HydrophobicContact CG1-CD2 3.89Å
137R86.2Confident90.2Very high145 Ų14548.1 Ų48.155%0.54725%0.254SS..Hα-helixtrans-56.1-46.6176.9-92.1176.279.2-176.18111.6I139 T140 G141 H153 E155 F156R137-I139 VanDerWaalsContact C-N 3.26Å; R137-I139 PolarHBondContact O-N 2.89Å; R137-T140 PolarHBondContact O-N 3.41Å; R137-T140 PolarHBondContact O-OG1 2.63Å; R137-G141 PolarHBondContact O-N 3.18Å; R137-G141 VanDerWaalsContact O-N 3.16Å; R137-H153 PolarHBondContact O-NE2 2.85Å; R137-E155 IonicContact CZ-OE2 3.65Å; R137-E155 VanDerWaalsContact CZ-OE2 3.29Å; R137-E155 IonicContact NE-OE2 3.39Å; R137-E155 PolarHBondContact NE-OE2 3.37Å; R137-E155 IonicContact NH2-OE1 2.86Å; R137-E155 IonicContact NH2-OE2 2.78Å; R137-E155 PolarHBondContact NH2-OE2 2.99Å; R137-F156 HydrophobicContact CB-CE2 4.39Å
138R88.9Confident89.5Confident52 Ų5249.5 Ų49.520%0.19627%0.265CS..Hα-helixtrans-60.7-30.9-178.3-76.2-173.3176.1-166.42.8113.9G25 I130 L134 L135 I136 H153 F156 A212 S213G25-R138 VanDerWaalsContact O-CD 3.27Å; G25-R138 WeakPolarHBondContact O-CD 3.35Å; I130-R138 VanDerWaalsContact CD1-CZ 3.42Å; L134-R138 WeakPolarHBondContact O-CG 3.03Å; L134-R138 PolarHBondContact O-N 3.33Å; L135-R138 PolarHBondContact O-N 3.38Å; I136-R138 VanDerWaalsContact C-N 3.32Å; I136-R138 PolarHBondContact O-N 3.41Å; R138-H153 WeakPolarHBondContact CA-NE2 3.43Å; R138-H153 PolarHBondContact O-CD2 2.92Å; R138-H153 VanDerWaalsContact O-CD2 3.27Å; R138-F156 HydrophobicContact CG-CD2 4.19Å; R138-F156 HydrophobicContact CG-CE2 4.01Å; R138-A212 PolarHBondContact NH1-O 3.49Å; R138-A212 PolarHBondContact NH2-O 3.44Å; R138-A212 VanDerWaalsContact NH2-O 3.09Å; R138-S213 PolarHBondContact NH2-O 2.59Å
139I89.6Confident88.7Confident0 Ų050.3 Ų50.30%027%0.274CS..Hα-helixtrans-84.3-45.3179.3-76-75.1000111.2P24 L135 I136 R137 G141 R142 D178 L183P24-I139 HydrophobicContact CB-CD1 4.1Å; L135-I139 WeakPolarHBondContact O-CB 3.31Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 2.83Å; I136-I139 PolarHBondContact O-N 3.16Å; R137-I139 VanDerWaalsContact C-N 3.26Å; R137-I139 PolarHBondContact O-N 2.89Å; I139-G141 VanDerWaalsContact C-N 3.27Å; I139-G141 PolarHBondContact O-N 3.46Å; I139-R142 WeakPolarHBondContact O-CB 3.45Å; I139-R142 PolarHBondContact O-N 2.75Å; I139-D178 HydrophobicContact CG2-CB 4.07Å; I139-L183 HydrophobicContact CB-CD1 4.45Å; I139-L183 HydrophobicContact CB-CD2 4.03Å; I139-L183 HydrophobicContact CG1-CD1 3.89Å; I139-L183 HydrophobicContact CG1-CD2 4.22Å; I139-L183 HydrophobicContact CG2-CB 4.49Å; I139-L183 HydrophobicContact CG2-CD2 4.27Å
140T88.6Confident88.4Confident58 Ų5850.6 Ų50.636%0.35627%0.266SS..Hα-helixtrans-67.8-28.4-17553.10000113I136 R137I136-T140 WeakPolarHBondContact O-CG2 3.5Å; I136-T140 PolarHBondContact O-N 3.14Å; I136-T140 VanDerWaalsContact O-N 3.07Å; I136-T140 PolarHBondContact O-OG1 3.19Å; I136-T140 VanDerWaalsContact O-OG1 3.11Å; R137-T140 PolarHBondContact O-N 3.41Å; R137-T140 PolarHBondContact O-OG1 2.63Å
141G90.5Very high88.2Confident5 Ų550.9 Ų50.95%0.05227%0.269CS..THydrogen-bonded Turntrans-92.17.7176.400000114.7R137 I139 H153 E154R137-G141 PolarHBondContact O-N 3.18Å; R137-G141 VanDerWaalsContact O-N 3.16Å; I139-G141 VanDerWaalsContact C-N 3.27Å; I139-G141 PolarHBondContact O-N 3.46Å; G141-H153 VanDerWaalsContact O-CA 3.3Å; G141-H153 WeakPolarHBondContact O-CA 3.27Å; G141-E154 PolarHBondContact O-N 3.01Å
142R92.8Very high88.1Confident35 Ų3548.3 Ų48.313%0.13225%0.25CS..EExtended strand (participates in β ladder)trans-78.1133.5-175-174.4168.664.2-172.31.8112.4I139 I144 R175 D178I139-R142 WeakPolarHBondContact O-CB 3.45Å; I139-R142 PolarHBondContact O-N 2.75Å; R142-I144 HydrophobicContact CG-CD1 4.01Å; R142-I144 HydrophobicContact CG-CG1 4.13Å; R142-R175 VanDerWaalsContact NH2-NH1 3.18Å; R142-D178 IonicContact CZ-OD1 3.24Å; R142-D178 IonicContact CZ-OD2 3.01Å; R142-D178 VanDerWaalsContact CZ-OD2 3.25Å; R142-D178 IonicContact NE-OD1 3.79Å; R142-D178 IonicContact NE-OD2 2.66Å; R142-D178 PolarHBondContact NE-OD2 2.69Å; R142-D178 IonicContact NH2-OD1 2.72Å; R142-D178 PolarHBondContact NH2-OD1 3.09Å; R142-D178 IonicContact NH2-OD2 3.2Å; R142-D178 PolarHBondContact NH2-OD2 3.26Å
143L93.1Very high88.2Confident4 Ų446.1 Ų46.12%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-121.3142.1172.9-51.9175.6000109.3S151 Y152 E154 P159 M163 L172 R174L143-S151 CarbonylContact O-C 3.6Å; L143-S151 WeakPolarHBondContact O-CA 3.34Å; L143-Y152 PolarHBondContact N-O 2.87Å; L143-Y152 PolarHBondContact O-N 2.93Å; L143-E154 HydrophobicContact CD1-CG 4.06Å; L143-E154 HydrophobicContact CG-CG 4.26Å; L143-P159 HydrophobicContact CD1-CG 4.46Å; L143-M163 HydrophobicContact CD1-SD 3.91Å; L143-M163 HydrophobicContact CD2-SD 3.67Å; L143-M163 HydrophobicContact CG-SD 4.4Å; L143-L172 HydrophobicContact CB-CB 4.14Å; L143-L172 HydrophobicContact CB-CD1 3.91Å; L143-L172 HydrophobicContact CD1-CD1 4.08Å; L143-R174 HydrophobicContact CD2-CG 3.67Å
144I90.9Very high88.4Confident6 Ų645.8 Ų45.83%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-134.7139.1-176.3-67.7138.8000110.7R142 P146 R150 I173 R175R142-I144 HydrophobicContact CG-CD1 4.01Å; R142-I144 HydrophobicContact CG-CG1 4.13Å; I144-P146 WeakPolarHBondContact O-CD 3.4Å; I144-R150 CarbonylContact C-O 3.49Å; I144-R150 WeakPolarHBondContact CA-O 3.5Å; I144-I173 PolarHBondContact N-O 3.36Å; I144-I173 WeakPolarHBondContact O-CG1 3.46Å; I144-I173 PolarHBondContact O-N 3.35Å; I144-R175 VanDerWaalsContact CD1-CD 3.46Å; I144-R175 HydrophobicContact CD1-CG 3.61Å
145H91.2Very high88.4Confident3 Ų347.4 Ų47.41%0.01423%0.231CC..  trans-85.8113.2170.2-178.8-144.4000110.1K147 S148 G149 R150 D165 T168 E170 L172H145-K147 VanDerWaalsContact C-N 3.34Å; H145-K147 PolarHBondContact O-N 2.84Å; H145-S148 PolarHBondContact ND1-OG 2.89Å; H145-S148 PolarHBondContact O-N 3.49Å; H145-G149 PolarHBondContact O-N 3.09Å; H145-R150 HydrophobicContact CB-CB 4.36Å; H145-R150 PolarHBondContact N-O 3.27Å; H145-R150 PolarHBondContact ND1-NH2 2.99Å; H145-D165 HydrophobicContact CB-CB 4.11Å; H145-D165 IonicContact CG-OD1 3.86Å; H145-D165 IonicContact ND1-OD1 3.73Å; H145-D165 IonicContact ND1-OD2 2.98Å; H145-T168 PolarHBondContact CE1-OG1 2.78Å; H145-T168 VanDerWaalsContact CE1-OG1 3.24Å; H145-E170 IonicContact CE1-OE2 3.83Å; H145-E170 PolarHBondContact CE1-OE2 3.39Å; H145-E170 IonicContact NE2-OE2 2.59Å; H145-E170 PolarHBondContact NE2-OE2 3.49Å; H145-L172 HydrophobicContact CB-CD2 3.62Å
146P85.7Confident88Confident77 Ų7752.5 Ų52.550%0.525%0.254SS..THydrogen-bonded Turntrans-57.6-39.6-170.5-2835.6000115.2I144 I173I144-P146 WeakPolarHBondContact O-CD 3.4Å; P146-I173 HydrophobicContact CG-CB 4.49Å; P146-I173 HydrophobicContact CG-CD1 3.76Å; P146-I173 HydrophobicContact CG-CG1 3.82Å; P146-I173 HydrophobicContact CG-CG2 3.89Å
147K83.8Confident87.9Confident163 Ų16352.7 Ų52.771%0.70926%0.256SS*.THydrogen-bonded Turntrans-74.7-33.5-173.9-70.7-175.9179.1172.90113.3H145 E170H145-K147 VanDerWaalsContact C-N 3.34Å; H145-K147 PolarHBondContact O-N 2.84Å; K147-E170 WeakPolarHBondContact CE-OE1 3.45Å; K147-E170 IonicContact NZ-OE1 2.79Å; K147-E170 PolarHBondContact NZ-OE1 2.87Å
148S81.8Confident88.1Confident47 Ų4749.4 Ų49.433%0.32925%0.253SS..THydrogen-bonded Turntrans-105.9-16.9-173.569.60000114.4H145 R150H145-S148 PolarHBondContact ND1-OG 2.89Å; H145-S148 PolarHBondContact O-N 3.49Å; S148-R150 VanDerWaalsContact CB-NH1 3.26Å; S148-R150 PolarHBondContact O-N 2.99Å; S148-R150 WeakPolarHBondContact OG-CB 3.47Å; S148-R150 WeakPolarHBondContact OG-CG 3.44Å; S148-R150 PolarHBondContact OG-N 2.87Å; S148-R150 PolarHBondContact OG-NE 3.35Å; S148-R150 PolarHBondContact OG-NH1 3.26Å; S148-R150 PolarHBondContact OG-NH2 3.02Å
149G81.4Confident88.4Confident18 Ų1847.7 Ų47.719%0.18625%0.249CC..  trans74.1-3.3-171.200000114.7H145 S151H145-G149 PolarHBondContact O-N 3.09Å; G149-S151 PolarHBondContact O-N 2.71Å; G149-S151 PolarHBondContact O-OG 2.68Å
150R86.3Confident88.7Confident66 Ų6656 Ų5625%0.24929%0.285CS..  trans-53.8134.5176.2-76.5-174.6-69.2-85.41.3110.6I144 H145 S148 Y152 D165I144-R150 CarbonylContact C-O 3.49Å; I144-R150 WeakPolarHBondContact CA-O 3.5Å; H145-R150 HydrophobicContact CB-CB 4.36Å; H145-R150 PolarHBondContact N-O 3.27Å; H145-R150 PolarHBondContact ND1-NH2 2.99Å; S148-R150 VanDerWaalsContact CB-NH1 3.26Å; S148-R150 PolarHBondContact O-N 2.99Å; S148-R150 WeakPolarHBondContact OG-CB 3.47Å; S148-R150 WeakPolarHBondContact OG-CG 3.44Å; S148-R150 PolarHBondContact OG-N 2.87Å; S148-R150 PolarHBondContact OG-NE 3.35Å; S148-R150 PolarHBondContact OG-NH1 3.26Å; S148-R150 PolarHBondContact OG-NH2 3.02Å; R150-Y152 HydrophobicContact CB-CE2 4.11Å; R150-D165 IonicContact CZ-OD1 3.74Å; R150-D165 IonicContact CZ-OD2 3.46Å; R150-D165 IonicContact NE-OD1 2.84Å; R150-D165 PolarHBondContact NE-OD1 3.36Å; R150-D165 IonicContact NE-OD2 3.54Å; R150-D165 PolarHBondContact NE-OD2 2.98Å; R150-D165 IonicContact NH2-OD1 2.8Å; R150-D165 PolarHBondContact NH2-OD1 2.87Å; R150-D165 IonicContact NH2-OD2 2.8Å; R150-D165 PolarHBondContact NH2-OD2 3.13Å
151S88.6Confident89Confident20 Ų2058.2 Ų58.214%0.1429%0.291CS..EExtended strand (participates in β ladder)trans-117134.1-175.3-63.10000110.7L143 G149 N157L143-S151 CarbonylContact O-C 3.6Å; L143-S151 WeakPolarHBondContact O-CA 3.34Å; G149-S151 PolarHBondContact O-N 2.71Å; G149-S151 PolarHBondContact O-OG 2.68Å; S151-N157 PolarHBondContact O-ND2 2.77Å
152Y89.8Confident89.3Confident16 Ų1663.6 Ų63.66%0.06333%0.325CS..EExtended strand (participates in β ladder)trans-121.9168.8176.5-57.1-95.4000109.4L143 R150 N157 P159 D165 D166 L172L143-Y152 PolarHBondContact N-O 2.87Å; L143-Y152 PolarHBondContact O-N 2.93Å; R150-Y152 HydrophobicContact CB-CE2 4.11Å; Y152-N157 WeakPolarHBondContact CA-O 3.27Å; Y152-N157 WeakPolarHBondContact CB-O 3.34Å; Y152-P159 HydrophobicContact CD1-CB 3.85Å; Y152-P159 HydrophobicContact CE1-CB 4.14Å; Y152-P159 HydrophobicContact CG-CB 4.3Å; Y152-D165 WeakPolarHBondContact CE2-OD1 3.47Å; Y152-D165 PolarHBondContact OH-OD1 3.12Å; Y152-D166 HydrophobicContact CE1-CB 4.27Å; Y152-D166 PolarHBondContact OH-N 2.96Å; Y152-L172 HydrophobicContact CD2-CD1 3.58Å; Y152-L172 HydrophobicContact CD2-CD2 3.68Å; Y152-L172 HydrophobicContact CD2-CG 4.3Å; Y152-L172 HydrophobicContact CE2-CD1 4.09Å; Y152-L172 HydrophobicContact CE2-CD2 3.61Å; Y152-L172 HydrophobicContact CG-CD1 3.98Å
153H91.8Very high89.5Confident16 Ų1665.8 Ų65.87%0.07434%0.338CS..EExtended strand (participates in β ladder)trans-144133.7174.6-172.3-69.3000110.4R137 R138 G141 E155 F156 N157 P158R137-H153 PolarHBondContact O-NE2 2.85Å; R138-H153 WeakPolarHBondContact CA-NE2 3.43Å; R138-H153 PolarHBondContact O-CD2 2.92Å; R138-H153 VanDerWaalsContact O-CD2 3.27Å; G141-H153 VanDerWaalsContact O-CA 3.3Å; G141-H153 WeakPolarHBondContact O-CA 3.27Å; H153-E155 PolarHBondContact ND1-N 3.14Å; H153-E155 PolarHBondContact O-N 3.34Å; H153-E155 VanDerWaalsContact O-N 3.09Å; H153-F156 HydrophobicContact CB-CB 4.29Å; H153-F156 AromaticContact CD2-CD2 3.72Å; H153-F156 AromaticContact CE1-CD2 3.24Å; H153-F156 WeakPolarHBondContact CE1-CD2 3.24Å; H153-F156 AromaticContact CE1-CE2 3.43Å; H153-F156 VanDerWaalsContact CE1-CE2 3.43Å; H153-F156 WeakPolarHBondContact CE1-CE2 3.43Å; H153-F156 AromaticContact CG-CD2 3.62Å; H153-F156 AromaticContact ND1-CD2 3.32Å; H153-F156 VanDerWaalsContact ND1-CD2 3.32Å; H153-F156 WeakPolarHBondContact ND1-CD2 3.48Å; H153-F156 AromaticContact ND1-CE2 3.98Å; H153-F156 AromaticContact ND1-CG 3.99Å; H153-F156 PolarHBondContact ND1-N 2.94Å; H153-F156 AromaticContact NE2-CD2 3.48Å; H153-F156 WeakPolarHBondContact NE2-CD2 3.32Å; H153-F156 AromaticContact NE2-CE2 3.6Å; H153-N157 HydrophobicContact CB-CB 4.42Å; H153-N157 PolarHBondContact N-O 3.39Å; H153-N157 CarbonylContact O-C 3.57Å; H153-N157 PolarHBondContact O-N 2.75Å; H153-N157 VanDerWaalsContact O-N 3.12Å; H153-N157 VanDerWaalsContact O-O 3.07Å; H153-P158 VanDerWaalsContact O-CA 3.22Å; H153-P158 WeakPolarHBondContact O-CA 3.36Å
154E90.9Very high89.6Confident89 Ų8969.8 Ų69.842%0.41636%0.355SS..THydrogen-bonded Turntrans-53.7-37.4-174.2-63.6-174.6152.400114G141 L143 R174G141-E154 PolarHBondContact O-N 3.01Å; L143-E154 HydrophobicContact CD1-CG 4.06Å; L143-E154 HydrophobicContact CG-CG 4.26Å; E154-R174 VanDerWaalsContact CD-NH2 3.27Å; E154-R174 IonicContact OE1-CZ 3.2Å; E154-R174 IonicContact OE1-NE 2.93Å; E154-R174 IonicContact OE1-NH2 2.68Å; E154-R174 PolarHBondContact OE1-NH2 3.25Å; E154-R174 IonicContact OE2-NH2 2.67Å; E154-R174 PolarHBondContact OE2-NH2 3.47Å
155E86.3Confident89.9Confident111 Ų11169.7 Ų69.752%0.51935%0.354SS..THydrogen-bonded Turntrans-100.9-46.7178.5-58.1171.1-17700114.7R137 H153R137-E155 IonicContact CZ-OE2 3.65Å; R137-E155 VanDerWaalsContact CZ-OE2 3.29Å; R137-E155 IonicContact NE-OE2 3.39Å; R137-E155 PolarHBondContact NE-OE2 3.37Å; R137-E155 IonicContact NH2-OE1 2.86Å; R137-E155 IonicContact NH2-OE2 2.78Å; R137-E155 PolarHBondContact NH2-OE2 2.99Å; H153-E155 PolarHBondContact ND1-N 3.14Å; H153-E155 PolarHBondContact O-N 3.34Å; H153-E155 VanDerWaalsContact O-N 3.09Å
156F81.8Confident90Very high108 Ų10872.2 Ų72.247%0.47437%0.368SS..THydrogen-bonded Turntrans-90.2-22.4-168.4-53.5-63.5000114.8R137 R138 H153R137-F156 HydrophobicContact CB-CE2 4.39Å; R138-F156 HydrophobicContact CG-CD2 4.19Å; R138-F156 HydrophobicContact CG-CE2 4.01Å; H153-F156 HydrophobicContact CB-CB 4.29Å; H153-F156 AromaticContact CD2-CD2 3.72Å; H153-F156 AromaticContact CE1-CD2 3.24Å; H153-F156 WeakPolarHBondContact CE1-CD2 3.24Å; H153-F156 AromaticContact CE1-CE2 3.43Å; H153-F156 VanDerWaalsContact CE1-CE2 3.43Å; H153-F156 WeakPolarHBondContact CE1-CE2 3.43Å; H153-F156 AromaticContact CG-CD2 3.62Å; H153-F156 AromaticContact ND1-CD2 3.32Å; H153-F156 VanDerWaalsContact ND1-CD2 3.32Å; H153-F156 WeakPolarHBondContact ND1-CD2 3.48Å; H153-F156 AromaticContact ND1-CE2 3.98Å; H153-F156 AromaticContact ND1-CG 3.99Å; H153-F156 PolarHBondContact ND1-N 2.94Å; H153-F156 AromaticContact NE2-CD2 3.48Å; H153-F156 WeakPolarHBondContact NE2-CD2 3.32Å; H153-F156 AromaticContact NE2-CE2 3.6Å
157N85.2Confident90.4Very high68 Ų6874.6 Ų74.636%0.36438%0.375SS..BIsolated β-bridgetrans-154.163.7179.4-174.939.5000109.2S151 Y152 H153S151-N157 PolarHBondContact O-ND2 2.77Å; Y152-N157 WeakPolarHBondContact CA-O 3.27Å; Y152-N157 WeakPolarHBondContact CB-O 3.34Å; H153-N157 HydrophobicContact CB-CB 4.42Å; H153-N157 PolarHBondContact N-O 3.39Å; H153-N157 CarbonylContact O-C 3.57Å; H153-N157 PolarHBondContact O-N 2.75Å; H153-N157 VanDerWaalsContact O-N 3.12Å; H153-N157 VanDerWaalsContact O-O 3.07Å
158P91.9Very high90.9Very high75 Ų7569.9 Ų69.949%0.48736%0.36SS..  trans-66.3143.1-174.926.2-33.2000110.1H153H153-P158 VanDerWaalsContact O-CA 3.22Å; H153-P158 WeakPolarHBondContact O-CA 3.36Å
159P94.7Very high91.5Very high17 Ų1769.7 Ų69.711%0.1137%0.365CS..  trans-64.1154.5168.331.4-35.4000110.1L143 Y152 E161 K164 L172L143-P159 HydrophobicContact CD1-CG 4.46Å; Y152-P159 HydrophobicContact CD1-CB 3.85Å; Y152-P159 HydrophobicContact CE1-CB 4.14Å; Y152-P159 HydrophobicContact CG-CB 4.3Å; P159-E161 VanDerWaalsContact C-N 3.27Å; P159-E161 WeakPolarHBondContact CB-O 3.27Å; P159-E161 VanDerWaalsContact CG-O 3.29Å; P159-E161 WeakPolarHBondContact CG-O 3.22Å; P159-E161 PolarHBondContact O-N 3.37Å; P159-K164 WeakPolarHBondContact CB-O 3.42Å; P159-L172 HydrophobicContact CB-CD1 4.03Å; P159-L172 HydrophobicContact CG-CD1 3.96Å
160K95.5Very high92.2Very high173 Ų17371.5 Ų71.575%0.75237%0.369SS*.SBendtrans-58.9-41.2176.1-67.7172.1-174173.30111.6D166K160-D166 WeakPolarHBondContact CB-OD1 3.42Å; K160-D166 HydrophobicContact CD-CB 4.29Å; K160-D166 WeakPolarHBondContact CG-OD1 3.35Å; K160-D166 PolarHBondContact N-OD1 2.89Å
161E96.2Very high92.7Very high106 Ų10673 Ų7350%0.49539%0.387SS..SBendtrans-112.4131.5171.3-75.5-172-151.900110P159 M163 K164P159-E161 VanDerWaalsContact C-N 3.27Å; P159-E161 WeakPolarHBondContact CB-O 3.27Å; P159-E161 VanDerWaalsContact CG-O 3.29Å; P159-E161 WeakPolarHBondContact CG-O 3.22Å; P159-E161 PolarHBondContact O-N 3.37Å; E161-M163 PolarHBondContact O-N 3.35Å; E161-K164 HydrophobicContact CB-CB 4.09Å; E161-K164 HydrophobicContact CB-CD 4.14Å; E161-K164 HydrophobicContact CB-CG 4.47Å; E161-K164 PolarHBondContact O-N 3.15Å; E161-K164 VanDerWaalsContact O-N 3.11Å; E161-K164 VanDerWaalsContact OE2-CD 3.27Å; E161-K164 WeakPolarHBondContact OE2-CD 3.43Å; E161-K164 WeakPolarHBondContact OE2-CE 3.48Å; E161-K164 IonicContact OE2-NZ 3.26Å; E161-K164 PolarHBondContact OE2-NZ 3.21Å
162P96.3Very high93Very high117 Ų11772.2 Ų72.276%0.7638%0.382SS*.THydrogen-bonded Turntrans-52.2129.8179.4-27.734.8000112.3K164P162-K164 PolarHBondContact O-N 3.01Å
163M95.9Very high93.2Very high82 Ų8275.2 Ų75.240%0.40440%0.398SS..THydrogen-bonded Turntrans59.922.2178.3-64.1-66.4-68.800115.4L143 E161 P171 L172L143-M163 HydrophobicContact CD1-SD 3.91Å; L143-M163 HydrophobicContact CD2-SD 3.67Å; L143-M163 HydrophobicContact CG-SD 4.4Å; E161-M163 PolarHBondContact O-N 3.35Å; M163-P171 WeakPolarHBondContact O-CA 3.4Å; M163-L172 VanDerWaalsContact CE-O 3.27Å; M163-L172 WeakPolarHBondContact CE-O 3.3Å; M163-L172 PolarHBondContact O-N 3.01Å
164K96.9Very high93.2Very high88 Ų8881 Ų8138%0.38342%0.419SS..BIsolated β-bridgetrans-125.6146.8173.9-66.4-174-171.3169.60112.4P159 E161 P162 E170 L172P159-K164 WeakPolarHBondContact CB-O 3.42Å; E161-K164 HydrophobicContact CB-CB 4.09Å; E161-K164 HydrophobicContact CB-CD 4.14Å; E161-K164 HydrophobicContact CB-CG 4.47Å; E161-K164 PolarHBondContact O-N 3.15Å; E161-K164 VanDerWaalsContact O-N 3.11Å; E161-K164 VanDerWaalsContact OE2-CD 3.27Å; E161-K164 WeakPolarHBondContact OE2-CD 3.43Å; E161-K164 WeakPolarHBondContact OE2-CE 3.48Å; E161-K164 IonicContact OE2-NZ 3.26Å; E161-K164 PolarHBondContact OE2-NZ 3.21Å; P162-K164 PolarHBondContact O-N 3.01Å; K164-E170 CarbonylContact C-O 3.6Å; K164-E170 WeakPolarHBondContact CA-O 3.36Å; K164-L172 WeakPolarHBondContact O-CD1 3.45Å
165D95.8Very high93.1Very high3 Ų378.4 Ų78.42%0.01641%0.405CS..  trans-72.1133.8173.7-178.475.4000111.4H145 R150 Y152 I167 T168 G169 E170 L172H145-D165 HydrophobicContact CB-CB 4.11Å; H145-D165 IonicContact CG-OD1 3.86Å; H145-D165 IonicContact ND1-OD1 3.73Å; H145-D165 IonicContact ND1-OD2 2.98Å; R150-D165 IonicContact CZ-OD1 3.74Å; R150-D165 IonicContact CZ-OD2 3.46Å; R150-D165 IonicContact NE-OD1 2.84Å; R150-D165 PolarHBondContact NE-OD1 3.36Å; R150-D165 IonicContact NE-OD2 3.54Å; R150-D165 PolarHBondContact NE-OD2 2.98Å; R150-D165 IonicContact NH2-OD1 2.8Å; R150-D165 PolarHBondContact NH2-OD1 2.87Å; R150-D165 IonicContact NH2-OD2 2.8Å; R150-D165 PolarHBondContact NH2-OD2 3.13Å; Y152-D165 WeakPolarHBondContact CE2-OD1 3.47Å; Y152-D165 PolarHBondContact OH-OD1 3.12Å; D165-I167 PolarHBondContact O-N 3.34Å; D165-I167 WeakPolarHBondContact OD2-CB 3.48Å; D165-I167 PolarHBondContact OD2-N 2.68Å; D165-I167 VanDerWaalsContact OD2-N 3.09Å; D165-T168 PolarHBondContact OD2-N 3.43Å; D165-T168 PolarHBondContact OD2-OG1 3.48Å; D165-G169 VanDerWaalsContact O-CA 3.22Å; D165-G169 WeakPolarHBondContact O-CA 3.43Å; D165-G169 PolarHBondContact O-N 2.98Å; D165-E170 PolarHBondContact N-O 2.99Å; D165-L172 HydrophobicContact CB-CD2 4Å
166D93.9Very high93Very high57 Ų5776.9 Ų76.931%0.30541%0.407SS..THydrogen-bonded Turntrans-67-17.9-175.2-74.6-7.3000114.6Y152 K160Y152-D166 HydrophobicContact CE1-CB 4.27Å; Y152-D166 PolarHBondContact OH-N 2.96Å; K160-D166 WeakPolarHBondContact CB-OD1 3.42Å; K160-D166 HydrophobicContact CD-CB 4.29Å; K160-D166 WeakPolarHBondContact CG-OD1 3.35Å; K160-D166 PolarHBondContact N-OD1 2.89Å
167I92.9Very high93Very high126 Ų12672.4 Ų72.465%0.64639%0.388SS*.THydrogen-bonded Turntrans-101.8-47.7-176.9-58-176.1000110.5D165D165-I167 PolarHBondContact O-N 3.34Å; D165-I167 WeakPolarHBondContact OD2-CB 3.48Å; D165-I167 PolarHBondContact OD2-N 2.68Å; D165-I167 VanDerWaalsContact OD2-N 3.09Å
168T95.5Very high93.1Very high65 Ų6570.1 Ų70.140%0.39938%0.376SS..THydrogen-bonded Turntrans-98.7-16.6-174.864.20000113.8H145 D165 E170H145-T168 PolarHBondContact CE1-OG1 2.78Å; H145-T168 VanDerWaalsContact CE1-OG1 3.24Å; D165-T168 PolarHBondContact OD2-N 3.43Å; D165-T168 PolarHBondContact OD2-OG1 3.48Å; T168-E170 WeakPolarHBondContact CB-OE2 3.49Å; T168-E170 PolarHBondContact O-N 3.46Å; T168-E170 WeakPolarHBondContact OG1-CB 3.39Å; T168-E170 WeakPolarHBondContact OG1-CG 3.47Å; T168-E170 PolarHBondContact OG1-N 3.32Å; T168-E170 PolarHBondContact OG1-OE2 3.18Å; T168-E170 VanDerWaalsContact OG1-OE2 3.07Å
169G94.9Very high92.8Very high42 Ų4269.5 Ų69.543%0.43337%0.368SS..  trans69.53.5-171.500000114D165D165-G169 VanDerWaalsContact O-CA 3.22Å; D165-G169 WeakPolarHBondContact O-CA 3.43Å; D165-G169 PolarHBondContact O-N 2.98Å
170E96.3Very high92.4Very high57 Ų5773.3 Ų73.327%0.26639%0.385SS..PPolyproline II helixtrans-74.2155.2-179.2-67.8176.2123.800111.6H145 K147 K164 D165 T168 L172H145-E170 IonicContact CE1-OE2 3.83Å; H145-E170 PolarHBondContact CE1-OE2 3.39Å; H145-E170 IonicContact NE2-OE2 2.59Å; H145-E170 PolarHBondContact NE2-OE2 3.49Å; K147-E170 WeakPolarHBondContact CE-OE1 3.45Å; K147-E170 IonicContact NZ-OE1 2.79Å; K147-E170 PolarHBondContact NZ-OE1 2.87Å; K164-E170 CarbonylContact C-O 3.6Å; K164-E170 WeakPolarHBondContact CA-O 3.36Å; D165-E170 PolarHBondContact N-O 2.99Å; T168-E170 WeakPolarHBondContact CB-OE2 3.49Å; T168-E170 PolarHBondContact O-N 3.46Å; T168-E170 WeakPolarHBondContact OG1-CB 3.39Å; T168-E170 WeakPolarHBondContact OG1-CG 3.47Å; T168-E170 PolarHBondContact OG1-N 3.32Å; T168-E170 PolarHBondContact OG1-OE2 3.18Å; T168-E170 VanDerWaalsContact OG1-OE2 3.07Å; E170-L172 PolarHBondContact O-N 3.3Å
171P96.2Very high92.1Very high96 Ų9672.8 Ų72.862%0.62338%0.382SS*.BIsolated β-bridgetrans-61.5137.2-178.6-23.734.2000113.6M163M163-P171 WeakPolarHBondContact O-CA 3.4Å
172L95.4Very high91.7Very high5 Ų568 Ų683%0.02636%0.361CS..PPolyproline II helixtrans-82.3154.8166.6-57.9178.2000110.5L143 H145 Y152 P159 M163 K164 D165 E170L143-L172 HydrophobicContact CB-CB 4.14Å; L143-L172 HydrophobicContact CB-CD1 3.91Å; L143-L172 HydrophobicContact CD1-CD1 4.08Å; H145-L172 HydrophobicContact CB-CD2 3.62Å; Y152-L172 HydrophobicContact CD2-CD1 3.58Å; Y152-L172 HydrophobicContact CD2-CD2 3.68Å; Y152-L172 HydrophobicContact CD2-CG 4.3Å; Y152-L172 HydrophobicContact CE2-CD1 4.09Å; Y152-L172 HydrophobicContact CE2-CD2 3.61Å; Y152-L172 HydrophobicContact CG-CD1 3.98Å; P159-L172 HydrophobicContact CB-CD1 4.03Å; P159-L172 HydrophobicContact CG-CD1 3.96Å; M163-L172 VanDerWaalsContact CE-O 3.27Å; M163-L172 WeakPolarHBondContact CE-O 3.3Å; M163-L172 PolarHBondContact O-N 3.01Å; K164-L172 WeakPolarHBondContact O-CD1 3.45Å; D165-L172 HydrophobicContact CB-CD2 4Å; E170-L172 PolarHBondContact O-N 3.3Å
173I93.6Very high91.4Very high78 Ų7862.4 Ų62.440%0.433%0.325SS..BIsolated β-bridgetrans-123.8158.2175.368.8166000111.3I144 P146I144-I173 PolarHBondContact N-O 3.36Å; I144-I173 WeakPolarHBondContact O-CG1 3.46Å; I144-I173 PolarHBondContact O-N 3.35Å; P146-I173 HydrophobicContact CG-CB 4.49Å; P146-I173 HydrophobicContact CG-CD1 3.76Å; P146-I173 HydrophobicContact CG-CG1 3.82Å; P146-I173 HydrophobicContact CG-CG2 3.89Å
174R91.3Very high91.1Very high139 Ų13964.2 Ų64.253%0.52533%0.33SS..  trans-97.4140.4161.6-65.8-177.7-178.3-166.13.7108.7L143 E154L143-R174 HydrophobicContact CD2-CG 3.67Å; E154-R174 VanDerWaalsContact CD-NH2 3.27Å; E154-R174 IonicContact OE1-CZ 3.2Å; E154-R174 IonicContact OE1-NE 2.93Å; E154-R174 IonicContact OE1-NH2 2.68Å; E154-R174 PolarHBondContact OE1-NH2 3.25Å; E154-R174 IonicContact OE2-NH2 2.67Å; E154-R174 PolarHBondContact OE2-NH2 3.47Å
175R87.9Confident90.8Very high34 Ų3463.2 Ų63.213%0.12833%0.328CS..  trans-77.4147.6175.5-62.7175.8166.5148.18.2110.3D48 R51 R142 I144 D177 D178D48-R175 IonicContact OD1-CZ 3.16Å; D48-R175 IonicContact OD1-NH2 2.63Å; D48-R175 PolarHBondContact OD1-NH2 2.79Å; D48-R175 IonicContact OD2-NH2 2.88Å; R51-R175 VanDerWaalsContact NH1-CD 3.33Å; R51-R175 VanDerWaalsContact NH2-NH2 3.11Å; R142-R175 VanDerWaalsContact NH2-NH1 3.18Å; I144-R175 VanDerWaalsContact CD1-CD 3.46Å; I144-R175 HydrophobicContact CD1-CG 3.61Å; R175-D177 VanDerWaalsContact CB-OD1 3.23Å; R175-D177 WeakPolarHBondContact CB-OD1 3.4Å; R175-D177 PolarHBondContact O-N 2.92Å; R175-D178 HydrophobicContact CB-CB 4.29Å; R175-D178 PolarHBondContact O-N 3.13Å
176S84.6Confident90.6Very high78 Ų7865 Ų6555%0.54534%0.335SS..THydrogen-bonded Turntrans-61.5-31.3175.947.30000112.7D69 D178 N179D69-S176 PolarHBondContact OD1-OG 3.36Å; S176-D178 VanDerWaalsContact C-N 3.35Å; S176-N179 PolarHBondContact O-ND2 2.99Å
177D82.4Confident90.5Very high15 Ų1563 Ų638%0.0832%0.324CS..THydrogen-bonded Turntrans-873.4-179.968.2-54.9000114.4R51 R175 N179 A182 R186R51-D177 IonicContact NH1-OD1 3.91Å; R51-D177 IonicContact NH1-OD2 3.69Å; R175-D177 VanDerWaalsContact CB-OD1 3.23Å; R175-D177 WeakPolarHBondContact CB-OD1 3.4Å; R175-D177 PolarHBondContact O-N 2.92Å; D177-N179 VanDerWaalsContact C-N 3.28Å; D177-N179 PolarHBondContact O-N 2.92Å; D177-A182 HydrophobicContact CB-CB 4.49Å; D177-A182 WeakPolarHBondContact O-CB 3.49Å; D177-R186 PolarHBondContact O-NH1 3.38Å; D177-R186 IonicContact OD2-CZ 3.51Å; D177-R186 IonicContact OD2-NH1 2.83Å; D177-R186 PolarHBondContact OD2-NH1 3.19Å; D177-R186 IonicContact OD2-NH2 2.7Å
178D86.4Confident90.4Very high20 Ų2063.5 Ų63.511%0.10732%0.323CS..  trans-90.960.8176.7-74.8-8.5000111I139 R142 R175 S176 R186I139-D178 HydrophobicContact CG2-CB 4.07Å; R142-D178 IonicContact CZ-OD1 3.24Å; R142-D178 IonicContact CZ-OD2 3.01Å; R142-D178 VanDerWaalsContact CZ-OD2 3.25Å; R142-D178 IonicContact NE-OD1 3.79Å; R142-D178 IonicContact NE-OD2 2.66Å; R142-D178 PolarHBondContact NE-OD2 2.69Å; R142-D178 IonicContact NH2-OD1 2.72Å; R142-D178 PolarHBondContact NH2-OD1 3.09Å; R142-D178 IonicContact NH2-OD2 3.2Å; R142-D178 PolarHBondContact NH2-OD2 3.26Å; R175-D178 HydrophobicContact CB-CB 4.29Å; R175-D178 PolarHBondContact O-N 3.13Å; S176-D178 VanDerWaalsContact C-N 3.35Å; D178-R186 IonicContact OD1-NH1 2.66Å
179N85.9Confident90.1Very high62 Ų6261.4 Ų61.433%0.33231%0.313SS..SBendtrans-134.1159.7176.466.575.9000111S176 D177 K181 A182 L183S176-N179 PolarHBondContact O-ND2 2.99Å; D177-N179 VanDerWaalsContact C-N 3.28Å; D177-N179 PolarHBondContact O-N 2.92Å; N179-K181 VanDerWaalsContact C-N 3.31Å; N179-K181 PolarHBondContact O-N 3.21Å; N179-K181 PolarHBondContact OD1-N 3.07Å; N179-A182 PolarHBondContact O-N 3.42Å; N179-A182 WeakPolarHBondContact OD1-CB 3.45Å; N179-A182 PolarHBondContact OD1-N 3.41Å; N179-L183 WeakPolarHBondContact O-CB 3.5Å; N179-L183 PolarHBondContact O-N 3.48Å
180E87.7Confident90Very high97 Ų9760.4 Ų60.445%0.45330%0.296SS..Hα-helixtrans-59.5-39.5-173.9-165.8-169.9148.700113I136 L183 K184I136-E180 HydrophobicContact CG2-CG 4.45Å; E180-L183 PolarHBondContact O-N 3.11Å; E180-K184 HydrophobicContact CG-CD 4.48Å; E180-K184 WeakPolarHBondContact O-CG 3.48Å; E180-K184 PolarHBondContact O-N 2.79Å; E180-K184 VanDerWaalsContact OE1-CE 3.31Å; E180-K184 WeakPolarHBondContact OE1-CE 3.4Å; E180-K184 IonicContact OE1-NZ 3.99Å; E180-K184 PolarHBondContact OE1-NZ 3.37Å
181K89.1Confident89.8Confident161 Ų16161.4 Ų61.470%0.730%0.301SS*.Hα-helixtrans-64.6-49.9-179.9179.7179.5178.1-178.50111.3N179 L183 K184 I185N179-K181 VanDerWaalsContact C-N 3.31Å; N179-K181 PolarHBondContact O-N 3.21Å; N179-K181 PolarHBondContact OD1-N 3.07Å; K181-L183 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 3.21Å; K181-K184 PolarHBondContact O-N 3.1Å; K181-I185 PolarHBondContact O-N 3.44Å
182A87.7Confident89.5Confident5 Ų561.4 Ų61.44%0.04130%0.299CS..Hα-helixtrans-63.7-39.1176.900000111.1D177 N179 I185 R186D177-A182 HydrophobicContact CB-CB 4.49Å; D177-A182 WeakPolarHBondContact O-CB 3.49Å; N179-A182 PolarHBondContact O-N 3.42Å; N179-A182 WeakPolarHBondContact OD1-CB 3.45Å; N179-A182 PolarHBondContact OD1-N 3.41Å; A182-I185 PolarHBondContact O-N 2.97Å; A182-R186 WeakPolarHBondContact O-CB 3.37Å; A182-R186 WeakPolarHBondContact O-CD 3.47Å; A182-R186 WeakPolarHBondContact O-CG 3.44Å; A182-R186 PolarHBondContact O-N 3.35Å
183L89.1Confident89.2Confident1 Ų164.8 Ų64.81%0.00532%0.315CS..Hα-helixtrans-60.9-46.9177.2179.659.8000112.3P24 I136 I139 N179 E180 K181 I185 R186 L187P24-L183 HydrophobicContact CB-CD1 4.11Å; I136-L183 HydrophobicContact CB-CD2 4.19Å; I136-L183 HydrophobicContact CG1-CD2 3.89Å; I139-L183 HydrophobicContact CB-CD1 4.45Å; I139-L183 HydrophobicContact CB-CD2 4.03Å; I139-L183 HydrophobicContact CG1-CD1 3.89Å; I139-L183 HydrophobicContact CG1-CD2 4.22Å; I139-L183 HydrophobicContact CG2-CB 4.49Å; I139-L183 HydrophobicContact CG2-CD2 4.27Å; N179-L183 WeakPolarHBondContact O-CB 3.5Å; N179-L183 PolarHBondContact O-N 3.48Å; E180-L183 PolarHBondContact O-N 3.11Å; K181-L183 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 3.21Å; L183-I185 VanDerWaalsContact C-N 3.31Å; L183-I185 PolarHBondContact O-N 2.92Å; L183-R186 CarbonylContact O-C 3.6Å; L183-R186 PolarHBondContact O-N 3.16Å; L183-R186 VanDerWaalsContact O-N 3.1Å; L183-L187 HydrophobicContact CD1-CD1 4.02Å; L183-L187 HydrophobicContact CD1-CD2 4.44Å; L183-L187 HydrophobicContact CD1-CG 3.87Å; L183-L187 HydrophobicContact CD2-CD1 4.41Å; L183-L187 HydrophobicContact CG-CD1 3.86Å; L183-L187 HydrophobicContact CG-CG 4.18Å; L183-L187 WeakPolarHBondContact O-CB 3.37Å; L183-L187 WeakPolarHBondContact O-CG 3.29Å; L183-L187 PolarHBondContact O-N 3.26Å
184K90.5Very high88.8Confident119 Ų11961.6 Ų61.652%0.51730%0.299SS..Hα-helixtrans-55.1-46.6177.6-80.1170.7168.3165.50111.9E180 K181 R186 L187 Q188E180-K184 HydrophobicContact CG-CD 4.48Å; E180-K184 WeakPolarHBondContact O-CG 3.48Å; E180-K184 PolarHBondContact O-N 2.79Å; E180-K184 VanDerWaalsContact OE1-CE 3.31Å; E180-K184 WeakPolarHBondContact OE1-CE 3.4Å; E180-K184 IonicContact OE1-NZ 3.99Å; E180-K184 PolarHBondContact OE1-NZ 3.37Å; K181-K184 PolarHBondContact O-N 3.1Å; K184-R186 VanDerWaalsContact C-N 3.35Å; K184-R186 PolarHBondContact O-N 2.98Å; K184-L187 PolarHBondContact O-N 3.36Å; K184-Q188 WeakPolarHBondContact O-CB 3.35Å; K184-Q188 PolarHBondContact O-N 3.37Å
185I90.8Very high88.7Confident67 Ų6757.6 Ų57.634%0.34429%0.29SS..Hα-helixtrans-61.8-44.7177-64168.7000110.7K181 A182 L183 Q188 A189K181-I185 PolarHBondContact O-N 3.44Å; A182-I185 PolarHBondContact O-N 2.97Å; L183-I185 VanDerWaalsContact C-N 3.31Å; L183-I185 PolarHBondContact O-N 2.92Å; I185-Q188 PolarHBondContact O-N 2.77Å; I185-A189 WeakPolarHBondContact O-CB 3.48Å; I185-A189 PolarHBondContact O-N 2.88Å
186R90.1Very high89Confident42 Ų4258.9 Ų58.916%0.15830%0.303CS..Hα-helixtrans-68.9-35.7-178.7-67.3163.963.7171.515.2112.8P24 D177 D178 A182 L183 K184 Y190P24-R186 HydrophobicContact CG-CB 3.87Å; D177-R186 PolarHBondContact O-NH1 3.38Å; D177-R186 IonicContact OD2-CZ 3.51Å; D177-R186 IonicContact OD2-NH1 2.83Å; D177-R186 PolarHBondContact OD2-NH1 3.19Å; D177-R186 IonicContact OD2-NH2 2.7Å; D178-R186 IonicContact OD1-NH1 2.66Å; A182-R186 WeakPolarHBondContact O-CB 3.37Å; A182-R186 WeakPolarHBondContact O-CD 3.47Å; A182-R186 WeakPolarHBondContact O-CG 3.44Å; A182-R186 PolarHBondContact O-N 3.35Å; L183-R186 CarbonylContact O-C 3.6Å; L183-R186 PolarHBondContact O-N 3.16Å; L183-R186 VanDerWaalsContact O-N 3.1Å; K184-R186 VanDerWaalsContact C-N 3.35Å; K184-R186 PolarHBondContact O-N 2.98Å; R186-Y190 WeakPolarHBondContact O-CB 3.41Å; R186-Y190 PolarHBondContact O-N 3.28Å
187L91.4Very high89.5Confident13 Ų1355.1 Ų55.17%0.06828%0.277CS..Hα-helixtrans-67.4-45.2174.1-74.5173.7000110.8P23 D132 L135 L183 K184 A189 Y190 H191P23-L187 HydrophobicContact CB-CD2 3.77Å; D132-L187 HydrophobicContact CB-CD1 4.45Å; L135-L187 HydrophobicContact CD1-CD2 3.51Å; L183-L187 HydrophobicContact CD1-CD1 4.02Å; L183-L187 HydrophobicContact CD1-CD2 4.44Å; L183-L187 HydrophobicContact CD1-CG 3.87Å; L183-L187 HydrophobicContact CD2-CD1 4.41Å; L183-L187 HydrophobicContact CG-CD1 3.86Å; L183-L187 HydrophobicContact CG-CG 4.18Å; L183-L187 WeakPolarHBondContact O-CB 3.37Å; L183-L187 WeakPolarHBondContact O-CG 3.29Å; L183-L187 PolarHBondContact O-N 3.26Å; K184-L187 PolarHBondContact O-N 3.36Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 2.6Å; L187-Y190 WeakPolarHBondContact O-CB 3.33Å; L187-Y190 PolarHBondContact O-N 3.41Å; L187-H191 PolarHBondContact O-CD2 3.4Å; L187-H191 PolarHBondContact O-N 3.25Å
188Q92.1Very high90Very high137 Ų13755.1 Ų55.164%0.6428%0.276SS*.Hα-helixtrans-59-45.1174.7-173.6-179.36.800111.5K184 I185 H191 T192K184-Q188 WeakPolarHBondContact O-CB 3.35Å; K184-Q188 PolarHBondContact O-N 3.37Å; I185-Q188 PolarHBondContact O-N 2.77Å; Q188-H191 PolarHBondContact O-N 3.11Å; Q188-T192 WeakPolarHBondContact O-CB 3.33Å; Q188-T192 PolarHBondContact O-N 2.8Å; Q188-T192 PolarHBondContact O-OG1 3.05Å
189A89.9Confident90.4Very high22 Ų2258.6 Ų58.618%0.18229%0.292CS..Hα-helixtrans-61.7-43.1175.900000111.9I185 L187 T192 Q193I185-A189 WeakPolarHBondContact O-CB 3.48Å; I185-A189 PolarHBondContact O-N 2.88Å; L187-A189 VanDerWaalsContact C-N 3.32Å; L187-A189 PolarHBondContact O-N 2.6Å; A189-T192 PolarHBondContact O-N 2.8Å; A189-Q193 VanDerWaalsContact O-CB 3.27Å; A189-Q193 WeakPolarHBondContact O-CB 3.17Å; A189-Q193 WeakPolarHBondContact O-CG 3.45Å; A189-Q193 PolarHBondContact O-N 2.84Å
190Y91.6Very high90.9Very high20 Ų2058 Ų588%0.07829%0.286CS..Iπ-helixtrans-58.4-51.2175.5175.9-95.4000111.5G22 P23 R186 L187 T192 Q193 T194 T195G22-Y190 WeakPolarHBondContact CA-OH 3.4Å; G22-Y190 WeakPolarHBondContact O-CE2 3.34Å; P23-Y190 HydrophobicContact CB-CD1 3.84Å; P23-Y190 HydrophobicContact CB-CD2 4.41Å; P23-Y190 HydrophobicContact CB-CE1 3.93Å; P23-Y190 HydrophobicContact CB-CE2 4.5Å; P23-Y190 HydrophobicContact CB-CG 4.1Å; P23-Y190 HydrophobicContact CG-CE1 4.24Å; R186-Y190 WeakPolarHBondContact O-CB 3.41Å; R186-Y190 PolarHBondContact O-N 3.28Å; L187-Y190 WeakPolarHBondContact O-CB 3.33Å; L187-Y190 PolarHBondContact O-N 3.41Å; Y190-T192 VanDerWaalsContact C-N 3.28Å; Y190-T192 PolarHBondContact O-N 3.43Å; Y190-Q193 PolarHBondContact O-N 3.28Å; Y190-T194 VanDerWaalsContact CD2-CB 3.5Å; Y190-T194 HydrophobicContact CD2-CG2 3.6Å; Y190-T194 HydrophobicContact CE2-CG2 3.39Å; Y190-T194 CarbonylContact O-C 3.2Å; Y190-T194 VanDerWaalsContact O-CA 3.31Å; Y190-T194 WeakPolarHBondContact O-CA 3.49Å; Y190-T194 VanDerWaalsContact O-CB 3.23Å; Y190-T194 WeakPolarHBondContact O-CB 3.19Å; Y190-T194 PolarHBondContact O-N 3.19Å; Y190-T195 PolarHBondContact O-N 3.14Å
191H91.6Very high91.4Very high79 Ų7953.4 Ų53.437%0.36626%0.264SS..Iπ-helixtrans-64.5-33.6-178.8-68-48.7000113D132 L187 Q188 T195D132-H191 IonicContact OD1-CE1 2.77Å; D132-H191 IonicContact OD1-NE2 3.34Å; D132-H191 PolarHBondContact OD1-NE2 2.86Å; D132-H191 VanDerWaalsContact OD1-NE2 3.16Å; D132-H191 IonicContact OD2-CD2 2.85Å; D132-H191 IonicContact OD2-CE1 3.31Å; D132-H191 IonicContact OD2-NE2 3.95Å; D132-H191 PolarHBondContact OD2-NE2 2.88Å; L187-H191 PolarHBondContact O-CD2 3.4Å; L187-H191 PolarHBondContact O-N 3.25Å; Q188-H191 PolarHBondContact O-N 3.11Å; H191-T195 WeakPolarHBondContact CA-OG1 3.27Å; H191-T195 VanDerWaalsContact O-CB 3.28Å; H191-T195 WeakPolarHBondContact O-CB 3.43Å; H191-T195 PolarHBondContact O-OG1 3.49Å
192T91.4Very high91.7Very high95 Ų9551.9 Ų51.958%0.58325%0.254SS*.Iπ-helixtrans-81-39.4-178.4-51.80000112.3Q188 A189 Y190Q188-T192 WeakPolarHBondContact O-CB 3.33Å; Q188-T192 PolarHBondContact O-N 2.8Å; Q188-T192 PolarHBondContact O-OG1 3.05Å; A189-T192 PolarHBondContact O-N 2.8Å; Y190-T192 VanDerWaalsContact C-N 3.28Å; Y190-T192 PolarHBondContact O-N 3.43Å
193Q88.1Confident92Very high77 Ų7759.5 Ų59.536%0.3629%0.286SS..Iπ-helixtrans-110.6-32.7-166.8-57.4179.37.400113.3R103 T104 A189 Y190R103-Q193 CarbonylContact O-C 2.94Å; R103-Q193 VanDerWaalsContact O-O 3.05Å; T104-Q193 HydrophobicContact CG2-CB 4.31Å; A189-Q193 VanDerWaalsContact O-CB 3.27Å; A189-Q193 WeakPolarHBondContact O-CB 3.17Å; A189-Q193 WeakPolarHBondContact O-CG 3.45Å; A189-Q193 PolarHBondContact O-N 2.84Å; Y190-Q193 PolarHBondContact O-N 3.28Å
194T85.9Confident92.2Very high11 Ų1164.6 Ų64.67%0.06731%0.305CS..Iπ-helixtrans-97.8-32.9-174.4-49.50000112L21 R103 Y190 P196 L197L21-T194 HydrophobicContact CD2-CG2 4.47Å; R103-T194 WeakPolarHBondContact O-CA 3.46Å; R103-T194 PolarHBondContact O-N 3.24Å; R103-T194 PolarHBondContact O-OG1 3.37Å; Y190-T194 VanDerWaalsContact CD2-CB 3.5Å; Y190-T194 HydrophobicContact CD2-CG2 3.6Å; Y190-T194 HydrophobicContact CE2-CG2 3.39Å; Y190-T194 CarbonylContact O-C 3.2Å; Y190-T194 VanDerWaalsContact O-CA 3.31Å; Y190-T194 WeakPolarHBondContact O-CA 3.49Å; Y190-T194 VanDerWaalsContact O-CB 3.23Å; Y190-T194 WeakPolarHBondContact O-CB 3.19Å; Y190-T194 PolarHBondContact O-N 3.19Å; T194-P196 VanDerWaalsContact C-CD 3.46Å; T194-P196 VanDerWaalsContact C-N 3.32Å; T194-L197 HydrophobicContact CG2-CD1 4.01Å; T194-L197 WeakPolarHBondContact O-CB 3.39Å; T194-L197 PolarHBondContact O-N 3.2Å
195T88.9Confident92.5Very high55 Ų5562.3 Ų62.334%0.33732%0.315SS..Hα-helixtrans-54.9-39.2173.6-60.60000113.7Y190 H191 L197 I198Y190-T195 PolarHBondContact O-N 3.14Å; H191-T195 WeakPolarHBondContact CA-OG1 3.27Å; H191-T195 VanDerWaalsContact O-CB 3.28Å; H191-T195 WeakPolarHBondContact O-CB 3.43Å; H191-T195 PolarHBondContact O-OG1 3.49Å; T195-L197 PolarHBondContact O-N 2.94Å; T195-L197 VanDerWaalsContact O-N 3.1Å; T195-I198 HydrophobicContact CG2-CD1 4.24Å; T195-I198 VanDerWaalsContact O-CB 3.31Å; T195-I198 WeakPolarHBondContact O-CB 3.28Å; T195-I198 PolarHBondContact O-N 3.5Å
196P94.6Very high92.7Very high60 Ų6060.7 Ų60.739%0.3931%0.307SS..Hα-helixtrans-56.9-23.8172.8-27.636.6000114.6V105 T194 I198 E199 Y200V105-P196 HydrophobicContact CG2-CB 3.88Å; T194-P196 VanDerWaalsContact C-CD 3.46Å; T194-P196 VanDerWaalsContact C-N 3.32Å; P196-I198 VanDerWaalsContact C-N 3.26Å; P196-I198 PolarHBondContact O-N 3.14Å; P196-E199 PolarHBondContact O-N 2.85Å; P196-Y200 PolarHBondContact O-N 3.29Å; P196-Y200 VanDerWaalsContact O-N 3.15Å
197L94.5Very high93Very high0 Ų060 Ų600%031%0.305CS..Hα-helixtrans-67.4-27175.4-68.1173.7000113.3L21 P102 T104 V105 A108 T194 T195 E199 Y200 Y201L21-L197 HydrophobicContact CD1-CB 4.05Å; L21-L197 HydrophobicContact CD2-CD1 4.27Å; P102-L197 HydrophobicContact CB-CD1 4.25Å; P102-L197 HydrophobicContact CG-CD1 4.1Å; P102-L197 HydrophobicContact CG-CD2 4.44Å; P102-L197 WeakPolarHBondContact O-CD1 3.5Å; T104-L197 WeakPolarHBondContact O-CD2 3.43Å; V105-L197 HydrophobicContact CG2-CD2 4.24Å; A108-L197 HydrophobicContact CB-CD2 3.47Å; A108-L197 VanDerWaalsContact CB-CD2 3.47Å; T194-L197 HydrophobicContact CG2-CD1 4.01Å; T194-L197 WeakPolarHBondContact O-CB 3.39Å; T194-L197 PolarHBondContact O-N 3.2Å; T195-L197 PolarHBondContact O-N 2.94Å; T195-L197 VanDerWaalsContact O-N 3.1Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.18Å; L197-Y200 WeakPolarHBondContact O-CB 3.22Å; L197-Y200 PolarHBondContact O-N 3.35Å; L197-Y201 HydrophobicContact CB-CD2 4.2Å; L197-Y201 HydrophobicContact CB-CE2 4.25Å; L197-Y201 HydrophobicContact CD2-CE2 4.24Å; L197-Y201 WeakPolarHBondContact O-CD2 3.4Å; L197-Y201 PolarHBondContact O-N 3.45Å
198I93.5Very high93.3Very high15 Ų1561.5 Ų61.58%0.07732%0.317CS..Hα-helixtrans-59.6-49.1176.5-65.3165.8000108.8E127 T195 P196 Y201 R202E127-I198 VanDerWaalsContact CD-CD1 3.47Å; E127-I198 HydrophobicContact CG-CD1 4.33Å; E127-I198 HydrophobicContact CG-CG1 4.42Å; E127-I198 VanDerWaalsContact OE1-CD1 3.26Å; E127-I198 WeakPolarHBondContact OE1-CD1 3.4Å; T195-I198 HydrophobicContact CG2-CD1 4.24Å; T195-I198 VanDerWaalsContact O-CB 3.31Å; T195-I198 WeakPolarHBondContact O-CB 3.28Å; T195-I198 PolarHBondContact O-N 3.5Å; P196-I198 VanDerWaalsContact C-N 3.26Å; P196-I198 PolarHBondContact O-N 3.14Å; I198-Y201 PolarHBondContact O-N 2.72Å; I198-R202 HydrophobicContact CG2-CG 4.41Å; I198-R202 WeakPolarHBondContact O-CB 3.45Å; I198-R202 VanDerWaalsContact O-CG 3.24Å; I198-R202 WeakPolarHBondContact O-CG 3.37Å; I198-R202 PolarHBondContact O-N 3.29Å
199E94.8Very high93.5Very high93 Ų9357.7 Ų57.744%0.43531%0.309SS..Hα-helixtrans-67.3-39.3178.4-17355.9-154.400112P196 L197 Y201 R202 K203P196-E199 PolarHBondContact O-N 2.85Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.18Å; E199-Y201 PolarHBondContact O-N 2.86Å; E199-R202 PolarHBondContact O-N 2.86Å; E199-K203 WeakPolarHBondContact O-CG 3.49Å; E199-K203 PolarHBondContact O-N 3.38Å; E199-K203 WeakPolarHBondContact OE1-CE 3.46Å
200Y96.7Very high93.8Very high50 Ų5057.3 Ų57.320%0.19630%0.303CS..Hα-helixtrans-54-50174.2-176.5-95.6000112V105 A108 E109 D112 P196 L197V105-Y200 HydrophobicContact CG1-CD2 3.93Å; V105-Y200 HydrophobicContact CG1-CE2 4.23Å; A108-Y200 HydrophobicContact CB-CD1 3.85Å; A108-Y200 HydrophobicContact CB-CE1 3.57Å; E109-Y200 HydrophobicContact CG-CE2 4.17Å; D112-Y200 WeakPolarHBondContact OD2-CE1 3.41Å; D112-Y200 PolarHBondContact OD2-OH 3.24Å; P196-Y200 PolarHBondContact O-N 3.29Å; P196-Y200 VanDerWaalsContact O-N 3.15Å; L197-Y200 WeakPolarHBondContact O-CB 3.22Å; L197-Y200 PolarHBondContact O-N 3.35Å
201Y96.8Very high94Very high0 Ų059.9 Ų59.90%032%0.319CS..Hα-helixtrans-80.2-25.4-178.2-70.2-58.6000114.1L21 P102 L122 V125 L197 I198 E199 R204 G205 I206 H207L21-Y201 HydrophobicContact CD1-CD2 3.87Å; L21-Y201 HydrophobicContact CD1-CE2 4.08Å; P102-Y201 HydrophobicContact CG-CE2 4.15Å; P102-Y201 WeakPolarHBondContact CG-OH 3.31Å; L122-Y201 HydrophobicContact CD2-CE1 4.1Å; V125-Y201 HydrophobicContact CB-CD2 4.25Å; V125-Y201 HydrophobicContact CB-CG 4.1Å; V125-Y201 HydrophobicContact CG1-CD2 3.72Å; V125-Y201 HydrophobicContact CG1-CE2 4.14Å; V125-Y201 HydrophobicContact CG1-CG 4.07Å; V125-Y201 HydrophobicContact CG2-CD1 3.59Å; V125-Y201 HydrophobicContact CG2-CD2 3.94Å; V125-Y201 HydrophobicContact CG2-CE1 3.84Å; V125-Y201 HydrophobicContact CG2-CE2 4.16Å; V125-Y201 HydrophobicContact CG2-CG 3.63Å; L197-Y201 HydrophobicContact CB-CD2 4.2Å; L197-Y201 HydrophobicContact CB-CE2 4.25Å; L197-Y201 HydrophobicContact CD2-CE2 4.24Å; L197-Y201 WeakPolarHBondContact O-CD2 3.4Å; L197-Y201 PolarHBondContact O-N 3.45Å; I198-Y201 PolarHBondContact O-N 2.72Å; E199-Y201 PolarHBondContact O-N 2.86Å; Y201-R204 PolarHBondContact O-N 3.07Å; Y201-G205 PolarHBondContact O-N 3.24Å; Y201-I206 HydrophobicContact CD1-CD1 3.94Å; Y201-I206 HydrophobicContact CD1-CG1 4.16Å; Y201-I206 HydrophobicContact CE1-CD1 4.39Å; Y201-I206 PolarHBondContact O-N 2.66Å; Y201-H207 PolarHBondContact O-N 3.39Å
202R94.9Very high94.2Very high129 Ų12956.1 Ų56.149%0.48730%0.302SS..Hα-helixtrans-63.1-45.6169.9-81.2178.7-177.1165.53.6111.8I198 E199 R204 G205 H207I198-R202 HydrophobicContact CG2-CG 4.41Å; I198-R202 WeakPolarHBondContact O-CB 3.45Å; I198-R202 VanDerWaalsContact O-CG 3.24Å; I198-R202 WeakPolarHBondContact O-CG 3.37Å; I198-R202 PolarHBondContact O-N 3.29Å; E199-R202 PolarHBondContact O-N 2.86Å; R202-R204 PolarHBondContact O-N 2.66Å; R202-R204 VanDerWaalsContact O-N 3.15Å; R202-G205 PolarHBondContact O-N 3.23Å; R202-H207 HydrophobicContact CB-CB 4.43Å; R202-H207 HydrophobicContact CG-CB 3.76Å; R202-H207 VanDerWaalsContact CG-ND1 3.33Å; R202-H207 WeakPolarHBondContact CG-ND1 3.36Å; R202-H207 PolarHBondContact NE-CE1 3.33Å; R202-H207 PolarHBondContact NE-ND1 2.87Å
203K95.4Very high94.2Very high165 Ų16553.7 Ų53.772%0.71729%0.288SS*.Hα-helixtrans-59.2-25.8176.2-74177.4179.5178.10113.2E199E199-K203 WeakPolarHBondContact O-CG 3.49Å; E199-K203 PolarHBondContact O-N 3.38Å; E199-K203 WeakPolarHBondContact OE1-CE 3.46Å
204R93.6Very high94.4Very high108 Ų10854.4 Ų54.441%0.40829%0.292SS..THydrogen-bonded Turntrans-90.3-2.4176.9-64.8-17970.2-163.88.6113.9D112 Y201 R202 I206D112-R204 IonicContact OD1-CZ 3.15Å; D112-R204 IonicContact OD1-NH1 2.65Å; D112-R204 PolarHBondContact OD1-NH1 3.07Å; D112-R204 IonicContact OD1-NH2 2.82Å; D112-R204 PolarHBondContact OD1-NH2 3.2Å; D112-R204 IonicContact OD2-CZ 3.35Å; D112-R204 IonicContact OD2-NH1 2.68Å; D112-R204 PolarHBondContact OD2-NH1 3.01Å; D112-R204 IonicContact OD2-NH2 3.65Å; Y201-R204 PolarHBondContact O-N 3.07Å; R202-R204 PolarHBondContact O-N 2.66Å; R202-R204 VanDerWaalsContact O-N 3.15Å; R204-I206 HydrophobicContact CB-CG1 4.17Å; R204-I206 PolarHBondContact O-N 3.26Å
205G95.3Very high94.6Very high70 Ų7057.7 Ų57.772%0.72231%0.312SS*.THydrogen-bonded Turntrans71.512.7175.600000115.2Y201 R202Y201-G205 PolarHBondContact O-N 3.24Å; R202-G205 PolarHBondContact O-N 3.23Å
206I95.9Very high94.6Very high33 Ų3357.8 Ų57.817%0.16931%0.314CS..  trans-111-0.5-177.359.8174.2000113.6L122 V125 Y201 R204L122-I206 HydrophobicContact CB-CD1 4.16Å; L122-I206 HydrophobicContact CD2-CD1 3.94Å; L122-I206 HydrophobicContact CG-CD1 4.34Å; V125-I206 HydrophobicContact CG2-CD1 4Å; V125-I206 HydrophobicContact CG2-CG1 4.12Å; V125-I206 PolarHBondContact N-O 3.29Å; Y201-I206 HydrophobicContact CD1-CD1 3.94Å; Y201-I206 HydrophobicContact CD1-CG1 4.16Å; Y201-I206 HydrophobicContact CE1-CD1 4.39Å; Y201-I206 PolarHBondContact O-N 2.66Å; R204-I206 HydrophobicContact CB-CG1 4.17Å; R204-I206 PolarHBondContact O-N 3.26Å
207H96.9Very high94.5Very high27 Ų2759.7 Ų59.713%0.12532%0.32CS..EExtended strand (participates in β ladder)trans-79.1140177.1170.3-94.3000112.3V125 E127 Y201 R202V125-H207 CarbonylContact O-C 3.58Å; V125-H207 WeakPolarHBondContact O-CA 3.16Å; E127-H207 WeakPolarHBondContact CB-NE2 3.49Å; E127-H207 IonicContact OE2-CD2 3.55Å; E127-H207 IonicContact OE2-CE1 3.28Å; E127-H207 PolarHBondContact OE2-CE1 2.89Å; E127-H207 VanDerWaalsContact OE2-CE1 3.28Å; E127-H207 IonicContact OE2-NE2 2.72Å; E127-H207 PolarHBondContact OE2-NE2 3.49Å; Y201-H207 PolarHBondContact O-N 3.39Å; R202-H207 HydrophobicContact CB-CB 4.43Å; R202-H207 HydrophobicContact CG-CB 3.76Å; R202-H207 VanDerWaalsContact CG-ND1 3.33Å; R202-H207 WeakPolarHBondContact CG-ND1 3.36Å; R202-H207 PolarHBondContact NE-CE1 3.33Å; R202-H207 PolarHBondContact NE-ND1 2.87Å
208S96.7Very high94.5Very high46 Ų4662.9 Ų62.932%0.32234%0.34SS..EExtended strand (participates in β ladder)trans-144.3128.8167.7-71.30000110.1V125 I126 E127V125-S208 PolarHBondContact O-N 3.39Å; I126-S208 CarbonylContact C-O 3.57Å; I126-S208 WeakPolarHBondContact CA-O 3.23Å; E127-S208 PolarHBondContact N-O 3.26Å
209A96.3Very high94.6Very high56 Ų5662.4 Ų62.446%0.46334%0.338SS..EExtended strand (participates in β ladder)trans-94139.3174.300000111.1E127E127-A209 HydrophobicContact CB-CB 4.24Å; E127-A209 WeakPolarHBondContact O-CA 3.3Å
210I96.9Very high94.7Very high14 Ų1459.3 Ų59.37%0.07232%0.323CS..EExtended strand (participates in β ladder)trans-121.4150.3172.861.579.6000110.1I126 E127 F128 S129 A212 V219 I223I126-I210 HydrophobicContact CG2-CG1 3.78Å; I126-I210 HydrophobicContact CG2-CG2 4.41Å; E127-I210 PolarHBondContact O-N 2.93Å; F128-I210 HydrophobicContact CB-CD1 4.33Å; F128-I210 HydrophobicContact CD1-CD1 3.9Å; F128-I210 HydrophobicContact CD2-CD1 4.44Å; F128-I210 HydrophobicContact CE1-CD1 4.32Å; F128-I210 HydrophobicContact CG-CD1 3.97Å; S129-I210 WeakPolarHBondContact CB-O 3.49Å; S129-I210 PolarHBondContact N-O 3.19Å; I210-A212 HydrophobicContact CD1-CB 3.91Å; I210-A212 PolarHBondContact O-N 2.89Å; I210-V219 HydrophobicContact CD1-CG1 3.83Å; I210-I223 HydrophobicContact CG1-CG1 4.19Å
211D95.8Very high94.6Very high74 Ų7459.6 Ų59.640%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-79.1102.5173.9177.98000109.8S213 Q214 V219D211-S213 VanDerWaalsContact C-N 3.27Å; D211-S213 VanDerWaalsContact CG-OG 3.31Å; D211-S213 PolarHBondContact O-N 3.27Å; D211-S213 VanDerWaalsContact OD1-CB 3.23Å; D211-S213 WeakPolarHBondContact OD1-CB 3.27Å; D211-S213 PolarHBondContact OD1-N 3.45Å; D211-S213 PolarHBondContact OD1-OG 3.31Å; D211-S213 PolarHBondContact OD2-OG 3.21Å; D211-Q214 HydrophobicContact CB-CG 4.27Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.37Å; D211-Q214 PolarHBondContact OD2-NE2 2.86Å; D211-V219 WeakPolarHBondContact O-CG2 3.32Å
212A95.1Very high94.6Very high1 Ų161.8 Ų61.81%0.00835%0.351CS..THydrogen-bonded Turntrans-84.41.7-179.100000113.7F128 S129 I130 R138 I210 Q214F128-A212 HydrophobicContact CB-CB 3.76Å; F128-A212 HydrophobicContact CD1-CB 3.81Å; F128-A212 HydrophobicContact CG-CB 4.22Å; S129-A212 WeakPolarHBondContact O-CB 3.05Å; S129-A212 PolarHBondContact O-N 3.05Å; I130-A212 HydrophobicContact CB-CB 4.17Å; R138-A212 PolarHBondContact NH1-O 3.49Å; R138-A212 PolarHBondContact NH2-O 3.44Å; R138-A212 VanDerWaalsContact NH2-O 3.09Å; I210-A212 HydrophobicContact CD1-CB 3.91Å; I210-A212 PolarHBondContact O-N 2.89Å; A212-Q214 VanDerWaalsContact C-N 3.32Å
213S91.6Very high94.7Very high44 Ų4455.7 Ų55.731%0.30833%0.328SS..THydrogen-bonded Turntrans-76.9-20.4173.776.40000112.9R138 D211R138-S213 PolarHBondContact NH2-O 2.59Å; D211-S213 VanDerWaalsContact C-N 3.27Å; D211-S213 VanDerWaalsContact CG-OG 3.31Å; D211-S213 PolarHBondContact O-N 3.27Å; D211-S213 VanDerWaalsContact OD1-CB 3.23Å; D211-S213 WeakPolarHBondContact OD1-CB 3.27Å; D211-S213 PolarHBondContact OD1-N 3.45Å; D211-S213 PolarHBondContact OD1-OG 3.31Å; D211-S213 PolarHBondContact OD2-OG 3.21Å
214Q92.6Very high94.7Very high91 Ų9150.2 Ų50.243%0.42531%0.306SS..SBendtrans-69175179-57.1-61.4-35.900113.3D211 A212 V218 V219D211-Q214 HydrophobicContact CB-CG 4.27Å; D211-Q214 WeakPolarHBondContact OD2-CG 3.37Å; D211-Q214 PolarHBondContact OD2-NE2 2.86Å; A212-Q214 VanDerWaalsContact C-N 3.32Å; Q214-V218 HydrophobicContact CB-CB 4.04Å; Q214-V218 HydrophobicContact CB-CG1 3.8Å; Q214-V218 HydrophobicContact CG-CG1 4.05Å; Q214-V219 HydrophobicContact CB-CG2 4.1Å
215T89.7Confident94.7Very high81 Ų8147.3 Ų47.350%0.49731%0.306SS..  trans-64.4154175.864.80000111.6D217 V218 V219T215-D217 PolarHBondContact O-N 2.9Å; T215-D217 VanDerWaalsContact O-N 3.14Å; T215-V218 PolarHBondContact O-N 3.25Å; T215-V218 WeakPolarHBondContact OG1-CG2 3.49Å; T215-V219 WeakPolarHBondContact O-CG2 3.41Å; T215-V219 PolarHBondContact O-N 3.41Å
216P89.9Confident94.6Very high57 Ų5744.6 Ų44.637%0.3728%0.276SS..Hα-helixtrans-53.1-36.9-179-29.336.3000114.5T30 Q31 F220T30-P216 HydrophobicContact CG2-CB 4.45Å; Q31-P216 PolarHBondContact NE2-O 3.15Å; P216-F220 WeakPolarHBondContact O-CB 3.43Å; P216-F220 PolarHBondContact O-N 3.25Å
217D92.3Very high94.4Very high100 Ų10043 Ų4354%0.53527%0.268SS..Hα-helixtrans-75.4-36.4-178.4-64.3-33000113.1R34 T215 F220 A221R34-D217 IonicContact CZ-OD1 3.46Å; R34-D217 IonicContact NH1-OD1 3.39Å; R34-D217 PolarHBondContact NH1-OD1 3.02Å; R34-D217 IonicContact NH2-OD1 3.3Å; R34-D217 PolarHBondContact NH2-OD1 3.22Å; T215-D217 PolarHBondContact O-N 2.9Å; T215-D217 VanDerWaalsContact O-N 3.14Å; D217-F220 PolarHBondContact O-N 3.49Å; D217-A221 WeakPolarHBondContact O-CB 3.45Å; D217-A221 PolarHBondContact O-N 2.84Å
218V94.6Very high93.9Very high67 Ų6744.6 Ų44.641%0.40628%0.282SS..Hα-helixtrans-65.8-42.2173.6172.50000110.4Q214 T215 A221 S222Q214-V218 HydrophobicContact CB-CB 4.04Å; Q214-V218 HydrophobicContact CB-CG1 3.8Å; Q214-V218 HydrophobicContact CG-CG1 4.05Å; T215-V218 PolarHBondContact O-N 3.25Å; T215-V218 WeakPolarHBondContact OG1-CG2 3.49Å; V218-A221 PolarHBondContact O-N 3.49Å; V218-S222 WeakPolarHBondContact O-CB 3.35Å; V218-S222 PolarHBondContact O-N 2.92Å; V218-S222 PolarHBondContact O-OG 2.93Å
219V95.5Very high93Very high5 Ų550.6 Ų50.63%0.0330%0.302CS..Hα-helixtrans-60.3-47.7173.91720000110.4Q31 F128 I210 D211 Q214 T215 A221 S222 I223Q31-V219 HydrophobicContact CG-CG1 3.88Å; F128-V219 HydrophobicContact CD1-CG1 4.5Å; F128-V219 HydrophobicContact CE1-CG1 3.97Å; I210-V219 HydrophobicContact CD1-CG1 3.83Å; D211-V219 WeakPolarHBondContact O-CG2 3.32Å; Q214-V219 HydrophobicContact CB-CG2 4.1Å; T215-V219 WeakPolarHBondContact O-CG2 3.41Å; T215-V219 PolarHBondContact O-N 3.41Å; V219-A221 PolarHBondContact O-N 3.26Å; V219-S222 WeakPolarHBondContact O-CB 3.38Å; V219-S222 PolarHBondContact O-N 2.6Å; V219-I223 HydrophobicContact CG1-CD1 3.91Å; V219-I223 VanDerWaalsContact O-CG1 3.31Å; V219-I223 WeakPolarHBondContact O-CG1 3.45Å; V219-I223 PolarHBondContact O-N 2.67Å
220F95.6Very high92.1Very high27 Ų2749.6 Ų49.612%0.11829%0.294CS..Hα-helixtrans-58-49.7179-172.8-105.2000111.9Q31 R34 L35 N38 P216 D217 S222 I223 L224Q31-F220 VanDerWaalsContact OE1-CD2 3.32Å; R34-F220 HydrophobicContact CB-CD2 4.01Å; R34-F220 HydrophobicContact CB-CE2 3.51Å; R34-F220 HydrophobicContact CB-CZ 4.23Å; L35-F220 HydrophobicContact CD2-CD2 3.93Å; L35-F220 HydrophobicContact CD2-CE2 3.53Å; L35-F220 HydrophobicContact CD2-CZ 4.28Å; L35-F220 HydrophobicContact CG-CD2 4.14Å; L35-F220 HydrophobicContact CG-CE2 3.77Å; N38-F220 HydrophobicContact CB-CZ 4.27Å; P216-F220 WeakPolarHBondContact O-CB 3.43Å; P216-F220 PolarHBondContact O-N 3.25Å; D217-F220 PolarHBondContact O-N 3.49Å; F220-S222 VanDerWaalsContact C-N 3.29Å; F220-S222 PolarHBondContact O-N 3.17Å; F220-I223 PolarHBondContact O-N 3.29Å; F220-I223 VanDerWaalsContact O-N 3.13Å; F220-L224 HydrophobicContact CD1-CD1 3.95Å; F220-L224 HydrophobicContact CD1-CG 4.27Å; F220-L224 HydrophobicContact CE1-CD1 3.57Å; F220-L224 HydrophobicContact CE1-CD2 4.34Å; F220-L224 HydrophobicContact CE1-CG 4.04Å; F220-L224 HydrophobicContact CZ-CD1 4.25Å; F220-L224 HydrophobicContact CZ-CD2 4.21Å; F220-L224 HydrophobicContact CZ-CG 4.38Å; F220-L224 WeakPolarHBondContact O-CG 3.38Å; F220-L224 PolarHBondContact O-N 2.87Å
221A96.2Very high90.7Very high56 Ų5650 Ų5046%0.46330%0.297SS..Hα-helixtrans-60-38.7177.900000112.5D217 V218 V219 I223 L224 A225D217-A221 WeakPolarHBondContact O-CB 3.45Å; D217-A221 PolarHBondContact O-N 2.84Å; V218-A221 PolarHBondContact O-N 3.49Å; V219-A221 PolarHBondContact O-N 3.26Å; A221-I223 VanDerWaalsContact C-N 3.33Å; A221-I223 PolarHBondContact O-N 3.27Å; A221-L224 PolarHBondContact O-N 3.49Å; A221-A225 PolarHBondContact O-N 3.31Å
222S96.5Very high88.6Confident47 Ų4754.2 Ų54.233%0.32933%0.331SS..Hα-helixtrans-63.7-39.2176.3-58.10000112V218 V219 F220 A225 A226V218-S222 WeakPolarHBondContact O-CB 3.35Å; V218-S222 PolarHBondContact O-N 2.92Å; V218-S222 PolarHBondContact O-OG 2.93Å; V219-S222 WeakPolarHBondContact O-CB 3.38Å; V219-S222 PolarHBondContact O-N 2.6Å; F220-S222 VanDerWaalsContact C-N 3.29Å; F220-S222 PolarHBondContact O-N 3.17Å; S222-A225 PolarHBondContact O-N 3.33Å; S222-A226 PolarHBondContact O-N 3.23Å; S222-A226 VanDerWaalsContact O-N 3.09Å
223I96.5Very high88.3Confident0 Ų056.9 Ų56.90%035%0.347CS..Hα-helixtrans-67.3-43.7176.4-62.5168.3000110.7Q31 L35 I126 F128 I210 V219 F220 A221 A225 A226 F227Q31-I223 HydrophobicContact CB-CD1 4.09Å; Q31-I223 HydrophobicContact CG-CD1 4.05Å; L35-I223 HydrophobicContact CD1-CD1 4.07Å; L35-I223 HydrophobicContact CD1-CG2 3.75Å; L35-I223 HydrophobicContact CD2-CB 4.31Å; L35-I223 HydrophobicContact CD2-CG2 3.7Å; L35-I223 HydrophobicContact CG-CG2 4.4Å; I126-I223 HydrophobicContact CG1-CG2 4.22Å; I126-I223 HydrophobicContact CG2-CG1 4.07Å; F128-I223 HydrophobicContact CE1-CD1 4.14Å; F128-I223 HydrophobicContact CE2-CD1 4.13Å; F128-I223 HydrophobicContact CZ-CD1 3.51Å; I210-I223 HydrophobicContact CG1-CG1 4.19Å; V219-I223 HydrophobicContact CG1-CD1 3.91Å; V219-I223 VanDerWaalsContact O-CG1 3.31Å; V219-I223 WeakPolarHBondContact O-CG1 3.45Å; V219-I223 PolarHBondContact O-N 2.67Å; F220-I223 PolarHBondContact O-N 3.29Å; F220-I223 VanDerWaalsContact O-N 3.13Å; A221-I223 VanDerWaalsContact C-N 3.33Å; A221-I223 PolarHBondContact O-N 3.27Å; I223-A225 VanDerWaalsContact C-N 3.29Å; I223-A225 PolarHBondContact O-N 2.91Å; I223-A226 PolarHBondContact O-N 3.31Å; I223-A226 VanDerWaalsContact O-N 3.14Å; I223-F227 HydrophobicContact CG2-CD1 4.42Å; I223-F227 HydrophobicContact CG2-CD2 3.81Å; I223-F227 HydrophobicContact CG2-CE1 4.21Å; I223-F227 HydrophobicContact CG2-CE2 3.56Å; I223-F227 HydrophobicContact CG2-CG 4.26Å; I223-F227 HydrophobicContact CG2-CZ 3.78Å; I223-F227 WeakPolarHBondContact O-CG 3.29Å; I223-F227 PolarHBondContact O-N 2.95Å
224L94.8Very high88.1Confident50 Ų5057.6 Ų57.626%0.26235%0.349SS..Hα-helixtrans-58.5-42.8175.4-66.3-174.4000111.8L35 F39 F220 A221 A226 F227 S228L35-L224 HydrophobicContact CD2-CD2 4Å; F39-L224 HydrophobicContact CE2-CD2 3.5Å; F39-L224 VanDerWaalsContact CE2-CD2 3.5Å; F39-L224 HydrophobicContact CZ-CD2 3.73Å; F220-L224 HydrophobicContact CD1-CD1 3.95Å; F220-L224 HydrophobicContact CD1-CG 4.27Å; F220-L224 HydrophobicContact CE1-CD1 3.57Å; F220-L224 HydrophobicContact CE1-CD2 4.34Å; F220-L224 HydrophobicContact CE1-CG 4.04Å; F220-L224 HydrophobicContact CZ-CD1 4.25Å; F220-L224 HydrophobicContact CZ-CD2 4.21Å; F220-L224 HydrophobicContact CZ-CG 4.38Å; F220-L224 WeakPolarHBondContact O-CG 3.38Å; F220-L224 PolarHBondContact O-N 2.87Å; A221-L224 PolarHBondContact O-N 3.49Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 3.33Å; L224-F227 PolarHBondContact O-N 3.22Å; L224-S228 WeakPolarHBondContact O-CB 3.47Å; L224-S228 PolarHBondContact O-N 2.79Å; L224-S228 PolarHBondContact O-OG 3.08Å
225A93.7Very high87.9Confident48 Ų4855.7 Ų55.740%0.39735%0.345SS..Hα-helixtrans-61.3-41176.100000111.9A221 S222 I223 S228 K229A221-A225 PolarHBondContact O-N 3.31Å; S222-A225 PolarHBondContact O-N 3.33Å; I223-A225 VanDerWaalsContact C-N 3.29Å; I223-A225 PolarHBondContact O-N 2.91Å; A225-S228 PolarHBondContact O-OG 2.92Å; A225-K229 PolarHBondContact O-N 3.21Å
226A93.7Very high87.8Confident13 Ų1354.2 Ų54.211%0.10734%0.336CS..Hα-helixtrans-65.7-43.8175.500000112.4I126 S222 I223 L224 K229 A230I126-A226 HydrophobicContact CD1-CB 3.6Å; S222-A226 PolarHBondContact O-N 3.23Å; S222-A226 VanDerWaalsContact O-N 3.09Å; I223-A226 PolarHBondContact O-N 3.31Å; I223-A226 VanDerWaalsContact O-N 3.14Å; L224-A226 VanDerWaalsContact C-N 3.33Å; L224-A226 PolarHBondContact O-N 3.33Å; A226-K229 PolarHBondContact O-N 3.23Å; A226-A230 PolarHBondContact O-N 3.39Å
227F92.1Very high87.6Confident0 Ų054.1 Ų54.10%033%0.334CS..Hα-helixtrans-66.1-37.5178.5-73.6-11.9000113.4I16 A18 L20 L35 F39 L97 I126 I223 L224 K229 A230 T231I16-F227 HydrophobicContact CD1-CB 3.58Å; I16-F227 HydrophobicContact CD1-CD1 3.35Å; I16-F227 HydrophobicContact CD1-CD2 3.49Å; I16-F227 VanDerWaalsContact CD1-CD2 3.49Å; I16-F227 HydrophobicContact CD1-CE1 3.72Å; I16-F227 HydrophobicContact CD1-CE2 3.87Å; I16-F227 HydrophobicContact CD1-CG 3.2Å; I16-F227 HydrophobicContact CD1-CZ 3.97Å; A18-F227 HydrophobicContact CB-CE1 3.64Å; A18-F227 HydrophobicContact CB-CZ 3.64Å; L20-F227 HydrophobicContact CD2-CZ 4.38Å; L35-F227 HydrophobicContact CD1-CE2 4.29Å; L35-F227 HydrophobicContact CD2-CD2 4.34Å; L35-F227 HydrophobicContact CD2-CE2 4.03Å; F39-F227 HydrophobicContact CD2-CD2 4.3Å; F39-F227 AromaticContact CE2-CD2 3.56Å; F39-F227 HydrophobicContact CE2-CD2 3.56Å; F39-F227 HydrophobicContact CE2-CE2 4.2Å; F39-F227 HydrophobicContact CZ-CB 3.98Å; F39-F227 AromaticContact CZ-CD2 3.76Å; F39-F227 HydrophobicContact CZ-CD2 3.76Å; F39-F227 HydrophobicContact CZ-CG 4.39Å; L97-F227 HydrophobicContact CD2-CE2 4.25Å; L97-F227 HydrophobicContact CD2-CZ 4.04Å; I126-F227 HydrophobicContact CD1-CD1 4.03Å; I126-F227 HydrophobicContact CD1-CE1 3.78Å; I126-F227 HydrophobicContact CG1-CD1 4.1Å; I126-F227 HydrophobicContact CG1-CE1 3.33Å; I126-F227 HydrophobicContact CG1-CZ 3.88Å; I223-F227 HydrophobicContact CG2-CD1 4.42Å; I223-F227 HydrophobicContact CG2-CD2 3.81Å; I223-F227 HydrophobicContact CG2-CE1 4.21Å; I223-F227 HydrophobicContact CG2-CE2 3.56Å; I223-F227 HydrophobicContact CG2-CG 4.26Å; I223-F227 HydrophobicContact CG2-CZ 3.78Å; I223-F227 WeakPolarHBondContact O-CG 3.29Å; I223-F227 PolarHBondContact O-N 2.95Å; L224-F227 PolarHBondContact O-N 3.22Å; F227-K229 VanDerWaalsContact C-N 3.33Å; F227-K229 PolarHBondContact O-N 3.27Å; F227-A230 PolarHBondContact O-N 3.07Å; F227-T231 PolarHBondContact O-N 3.21Å; F227-T231 PolarHBondContact O-OG1 3.25Å
228S85.6Confident87.3Confident60 Ų6051 Ų5142%0.4232%0.321SS..Hα-helixtrans-60.3-42.9175.767.90000111.7L224 A225 A230 T231 C232L224-S228 WeakPolarHBondContact O-CB 3.47Å; L224-S228 PolarHBondContact O-N 2.79Å; L224-S228 PolarHBondContact O-OG 3.08Å; A225-S228 PolarHBondContact O-OG 2.92Å; S228-A230 VanDerWaalsContact C-N 3.32Å; S228-A230 PolarHBondContact O-N 3.25Å; S228-T231 PolarHBondContact O-N 3.38Å; S228-T231 PolarHBondContact O-OG1 3.35Å; S228-C232 PolarHBondContact O-N 2.91Å; S228-C232 PolarHBondContact O-SG 2.71Å
229K78.4Confident86.8Confident171 Ų17149.9 Ų49.974%0.74332%0.315SS*.Hα-helixtrans-65.3-34.2177.4-68176.4-178179.90113A225 A226 F227A225-K229 PolarHBondContact O-N 3.21Å; A226-K229 PolarHBondContact O-N 3.23Å; F227-K229 VanDerWaalsContact C-N 3.33Å; F227-K229 PolarHBondContact O-N 3.27Å
230A76.6Confident86.1Confident36 Ų3653.3 Ų53.330%0.29834%0.336SS..Hα-helixtrans-78.4-23.6-178.400000113.6A226 F227 S228A226-A230 PolarHBondContact O-N 3.39Å; F227-A230 PolarHBondContact O-N 3.07Å; S228-A230 VanDerWaalsContact C-N 3.32Å; S228-A230 PolarHBondContact O-N 3.25Å
231T68.2Low85.3Confident22 Ų2255.5 Ų55.514%0.13536%0.355CS..Hα-helixtrans-102.8-2.2-178.254.80000113.3K14 I16 F227 S228K14-T231 WeakPolarHBondContact CE-O 3.33Å; K14-T231 PolarHBondContact NZ-O 3.41Å; I16-T231 HydrophobicContact CD1-CG2 4.26Å; I16-T231 HydrophobicContact CG1-CG2 4.37Å; F227-T231 PolarHBondContact O-N 3.21Å; F227-T231 PolarHBondContact O-OG1 3.25Å; S228-T231 PolarHBondContact O-N 3.38Å; S228-T231 PolarHBondContact O-OG1 3.35Å
232C51.8Low84.4Confident163 Ų16355.5 Ų55.5100%1.10135%0.345SS*.  trans-76.50169.9-72.30000112.2S228S228-C232 PolarHBondContact O-N 2.91Å; S228-C232 PolarHBondContact O-SG 2.71Å

Retrieved 232 of 232 residues in 209.2 ms (Link to these results)

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