A0A096NRT7_PAPAN Loading...

NACC family member 2

AlphaFold DB , UniProt , Accession A0A096NRT7, Species PAPAN (Papio anubis, Olive baboon), Gene NACC2, Length 586 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
1M48.8Very low76.8Confident244 Ų244152.9 Ų152.9100%1.20279%0.791SS**  0126.80-71.2-179.1-8600107.4
2S59.5Low78Confident121 Ų121150.7 Ų150.785%0.84677%0.771SS**PPolyproline II helixtrans-80.8124.7179.4-49.20000109.7
3Q67Low79Confident184 Ų184143 Ų14386%0.8675%0.752SS**PPolyproline II helixtrans-71.9132.4168.1-78.8-177.5-22.900109.3
4M71.2Confident79.9Confident182 Ų182140.7 Ų140.790%0.89774%0.741SS**PPolyproline II helixtrans-101.8133.2167.5-68.2-176.467.300108.7
5L78.5Confident80.7Confident162 Ų162137.1 Ų137.185%0.84873%0.727SS**  trans-104.4131.8172-59.5178000108.2
6H79.1Confident81.7Confident167 Ų167132.1 Ų132.177%0.77370%0.703SS**  trans-114.6136.6178.1-171.6-101.7000109.9
7I87.3Confident82.5Confident149 Ų149127.3 Ų127.376%0.76468%0.677SS**  trans-128.9118176.5-58.7176.8000107.1
8E87.9Confident83.2Confident155 Ų155121.9 Ų121.972%0.72466%0.657SS**  trans-105.8130.4173-168.1-170.8162.500109.4P10E8-P10 WeakPolarHBondContact O-CD 3.5Å
9I88.4Confident83.9Confident110 Ų110118.4 Ų118.456%0.56464%0.642SS**  trans-97.4109.3174.5-60.7175.7000107.9F12I9-F12 HydrophobicContact CB-CB 4.11Å; I9-F12 HydrophobicContact CB-CD2 4.46Å; I9-F12 HydrophobicContact CD1-CD2 4.49Å; I9-F12 HydrophobicContact CG2-CB 4.13Å; I9-F12 HydrophobicContact CG2-CD2 4.33Å; I9-F12 VanDerWaalsContact O-CB 3.31Å; I9-F12 WeakPolarHBondContact O-CB 3.44Å; I9-F12 PolarHBondContact O-N 2.63Å
10P88.5Confident84.5Confident96 Ų96114.8 Ų114.862%0.62362%0.622SS**THydrogen-bonded Turntrans-62.9142.3-178.726.7-34.6000110.5E8 F12E8-P10 WeakPolarHBondContact O-CD 3.5Å; P10-F12 PolarHBondContact O-N 3.39Å
11N88.8Confident85.2Confident112 Ų112110.6 Ų110.660%0.59960%0.599SS**THydrogen-bonded Turntrans59.616-176.9-63.4-67.9000115.9G13 N14 T15N11-G13 VanDerWaalsContact C-N 3.33Å; N11-G13 PolarHBondContact O-N 2.94Å; N11-N14 HydrophobicContact CB-CB 4.36Å; N11-N14 WeakPolarHBondContact O-CB 3.25Å; N11-N14 PolarHBondContact O-N 2.89Å; N11-N14 PolarHBondContact OD1-ND2 2.95Å; N11-T15 PolarHBondContact O-N 2.94Å; N11-T15 PolarHBondContact O-OG1 3.08Å; N11-T15 VanDerWaalsContact O-OG1 3.1Å
12F91.3Very high87.5Confident126 Ų126104.9 Ų104.955%0.55357%0.57SS**Hα-helixtrans-50.9-48.2179.4180-106.9000113.1I9 P10 N14 T15 V16I9-F12 HydrophobicContact CB-CB 4.11Å; I9-F12 HydrophobicContact CB-CD2 4.46Å; I9-F12 HydrophobicContact CD1-CD2 4.49Å; I9-F12 HydrophobicContact CG2-CB 4.13Å; I9-F12 HydrophobicContact CG2-CD2 4.33Å; I9-F12 VanDerWaalsContact O-CB 3.31Å; I9-F12 WeakPolarHBondContact O-CB 3.44Å; I9-F12 PolarHBondContact O-N 2.63Å; P10-F12 PolarHBondContact O-N 3.39Å; F12-N14 VanDerWaalsContact C-N 3.32Å; F12-N14 PolarHBondContact O-N 3.1Å; F12-T15 WeakPolarHBondContact O-CB 3.48Å; F12-T15 PolarHBondContact O-N 3.34Å; F12-T15 VanDerWaalsContact O-N 3.13Å; F12-V16 HydrophobicContact CD1-CG2 4.24Å; F12-V16 HydrophobicContact CD2-CG2 4.3Å; F12-V16 HydrophobicContact CE1-CG2 3.84Å; F12-V16 HydrophobicContact CE2-CG2 3.91Å; F12-V16 HydrophobicContact CG-CG2 4.45Å; F12-V16 HydrophobicContact CZ-CG2 3.67Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 3.01Å
13G91.4Very high89.2Confident51 Ų51101.9 Ų101.953%0.52654%0.542SS..Hα-helixtrans-61-35.2177.600000114.3N11 L17N11-G13 VanDerWaalsContact C-N 3.33Å; N11-G13 PolarHBondContact O-N 2.94Å; G13-L17 WeakPolarHBondContact O-CB 3.32Å; G13-L17 PolarHBondContact O-N 3.33Å
14N90.6Very high90.7Very high111 Ų11194.6 Ų94.659%0.59451%0.507SS*.Hα-helixtrans-69-39.3175.4-67.5-33.1000111.2N11 F12 L17 G18N11-N14 HydrophobicContact CB-CB 4.36Å; N11-N14 WeakPolarHBondContact O-CB 3.25Å; N11-N14 PolarHBondContact O-N 2.89Å; N11-N14 PolarHBondContact OD1-ND2 2.95Å; F12-N14 VanDerWaalsContact C-N 3.32Å; F12-N14 PolarHBondContact O-N 3.1Å; N14-L17 PolarHBondContact O-N 2.77Å; N14-G18 PolarHBondContact O-N 3.28Å
15T92.5Very high91.8Very high87 Ų8791.6 Ų91.653%0.53449%0.494SS..Hα-helixtrans-66-46.9177.5-50.40000110.9N11 F12 L17 G18 C19N11-T15 PolarHBondContact O-N 2.94Å; N11-T15 PolarHBondContact O-OG1 3.08Å; N11-T15 VanDerWaalsContact O-OG1 3.1Å; F12-T15 WeakPolarHBondContact O-CB 3.48Å; F12-T15 PolarHBondContact O-N 3.34Å; F12-T15 VanDerWaalsContact O-N 3.13Å; T15-L17 PolarHBondContact O-N 3.1Å; T15-G18 PolarHBondContact O-N 3.5Å; T15-C19 PolarHBondContact O-N 3.07Å; T15-C19 PolarHBondContact O-SG 3.1Å
16V95.9Very high92.7Very high57 Ų5790 Ų9035%0.34549%0.486SS..Hα-helixtrans-61.8-43.3176171.90000111.3F12 G18 C19 L20F12-V16 HydrophobicContact CD1-CG2 4.24Å; F12-V16 HydrophobicContact CD2-CG2 4.3Å; F12-V16 HydrophobicContact CE1-CG2 3.84Å; F12-V16 HydrophobicContact CE2-CG2 3.91Å; F12-V16 HydrophobicContact CG-CG2 4.45Å; F12-V16 HydrophobicContact CZ-CG2 3.67Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 3.01Å; V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 3.37Å; V16-C19 PolarHBondContact O-N 3.28Å; V16-L20 HydrophobicContact CG1-CD1 4.04Å; V16-L20 HydrophobicContact CG1-CG 4.47Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 3.24Å
17L95.6Very high93.4Very high50 Ų5082.8 Ų82.826%0.26246%0.456SS..Hα-helixtrans-65.2-34.9177.3-168.365.9000112.3G13 N14 T15 L20 N21 V47G13-L17 WeakPolarHBondContact O-CB 3.32Å; G13-L17 PolarHBondContact O-N 3.33Å; N14-L17 PolarHBondContact O-N 2.77Å; T15-L17 PolarHBondContact O-N 3.1Å; L17-L20 PolarHBondContact O-N 2.91Å; L17-N21 PolarHBondContact O-N 3.01Å; L17-V47 HydrophobicContact CD1-CG1 4.19Å
18G94.9Very high93.8Very high30 Ų3079.5 Ų79.531%0.30944%0.44SS..Hα-helixtrans-59.3-50.7169.800000112.4N14 T15 V16 L20 N21 E22N14-G18 PolarHBondContact O-N 3.28Å; T15-G18 PolarHBondContact O-N 3.5Å; V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 3.37Å; G18-L20 VanDerWaalsContact C-N 3.32Å; G18-L20 PolarHBondContact O-N 3.5Å; G18-N21 WeakPolarHBondContact O-CA 3.48Å; G18-N21 VanDerWaalsContact O-CB 3.28Å; G18-N21 WeakPolarHBondContact O-CB 3.35Å; G18-N21 PolarHBondContact O-N 3.24Å; G18-E22 PolarHBondContact O-N 3.01Å; G18-E22 VanDerWaalsContact O-N 3.08Å
19C96.4Very high94.1Very high56 Ų5680.7 Ų80.738%0.37844%0.438SS..Hα-helixtrans-59.9-40.8176.7-60.70000112T15 V16 N21 E22 Q23T15-C19 PolarHBondContact O-N 3.07Å; T15-C19 PolarHBondContact O-SG 3.1Å; V16-C19 PolarHBondContact O-N 3.28Å; C19-N21 VanDerWaalsContact C-N 3.27Å; C19-N21 PolarHBondContact O-N 3.39Å; C19-E22 PolarHBondContact O-N 3.34Å; C19-Q23 WeakPolarHBondContact O-CB 3.35Å; C19-Q23 VanDerWaalsContact O-CG 3.25Å; C19-Q23 WeakPolarHBondContact O-CG 3.28Å; C19-Q23 PolarHBondContact O-N 3.42Å
20L97.4Very high94.5Very high45 Ų4576.9 Ų76.924%0.23642%0.421CS..Hα-helixtrans-64.3-30.1174.8-71.9169.1000112.5V16 L17 G18 R24 H44 V47 Y86V16-L20 HydrophobicContact CG1-CD1 4.04Å; V16-L20 HydrophobicContact CG1-CG 4.47Å; V16-L20 WeakPolarHBondContact O-CG 3.43Å; V16-L20 PolarHBondContact O-N 3.24Å; L17-L20 PolarHBondContact O-N 2.91Å; G18-L20 VanDerWaalsContact C-N 3.32Å; G18-L20 PolarHBondContact O-N 3.5Å; L20-R24 WeakPolarHBondContact O-CB 3.43Å; L20-R24 PolarHBondContact O-N 2.99Å; L20-H44 PolarHBondContact O-CE1 3.28Å; L20-V47 HydrophobicContact CD1-CG2 4.01Å; L20-Y86 HydrophobicContact CB-CD1 4.28Å; L20-Y86 HydrophobicContact CB-CE1 4.16Å; L20-Y86 WeakPolarHBondContact O-CE1 3.32Å
21N97.3Very high94.8Very high28 Ų2875.8 Ų75.815%0.1541%0.41CS..Hα-helixtrans-71.4-41.4175-170.546.9000111.9L17 G18 C19 R24 L25 Y86L17-N21 PolarHBondContact O-N 3.01Å; G18-N21 WeakPolarHBondContact O-CA 3.48Å; G18-N21 VanDerWaalsContact O-CB 3.28Å; G18-N21 WeakPolarHBondContact O-CB 3.35Å; G18-N21 PolarHBondContact O-N 3.24Å; C19-N21 VanDerWaalsContact C-N 3.27Å; C19-N21 PolarHBondContact O-N 3.39Å; N21-R24 WeakPolarHBondContact O-CB 3.48Å; N21-R24 PolarHBondContact O-N 3.37Å; N21-R24 PolarHBondContact OD1-NE 3.04Å; N21-R24 PolarHBondContact OD1-NH2 3.39Å; N21-L25 VanDerWaalsContact O-CG 3.32Å; N21-L25 WeakPolarHBondContact O-CG 3.48Å; N21-L25 PolarHBondContact O-N 2.88Å; N21-Y86 HydrophobicContact CB-CD1 4.13Å; N21-Y86 HydrophobicContact CB-CG 4.48Å; N21-Y86 VanDerWaalsContact OD1-CB 3.31Å; N21-Y86 WeakPolarHBondContact OD1-CB 3.37Å
22E97.1Very high95.2Very high124 Ų12470.7 Ų70.758%0.57938%0.383SS*.Hα-helixtrans-64.8-47.3174.9-68.7169.2-173.900111.2G18 C19 R24 L25 L26G18-E22 PolarHBondContact O-N 3.01Å; G18-E22 VanDerWaalsContact O-N 3.08Å; C19-E22 PolarHBondContact O-N 3.34Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 3Å; E22-L25 PolarHBondContact O-N 2.93Å; E22-L25 VanDerWaalsContact O-N 3.1Å; E22-L26 WeakPolarHBondContact O-CG 3.31Å; E22-L26 PolarHBondContact O-N 3.37Å
23Q97.1Very high95.5Very high57 Ų5766.1 Ų66.127%0.26637%0.367SS..Hα-helixtrans-56-43174-71169.213.200111.6C19 L26 G27 L28 Y29C19-Q23 WeakPolarHBondContact O-CB 3.35Å; C19-Q23 VanDerWaalsContact O-CG 3.25Å; C19-Q23 WeakPolarHBondContact O-CG 3.28Å; C19-Q23 PolarHBondContact O-N 3.42Å; Q23-L26 CarbonylContact O-C 3.55Å; Q23-L26 PolarHBondContact O-N 3.31Å; Q23-G27 PolarHBondContact O-N 3.25Å; Q23-L28 HydrophobicContact CB-CB 4.38Å; Q23-L28 PolarHBondContact O-N 3.44Å; Q23-Y29 HydrophobicContact CB-CD2 4.37Å; Q23-Y29 HydrophobicContact CG-CD2 3.98Å; Q23-Y29 HydrophobicContact CG-CE2 4.3Å
24R97.1Very high95.7Very high32 Ų3263.7 Ų63.712%0.12134%0.342CS..Hα-helixtrans-60.9-44.9174.9-177.8-17162.573.92.7112.5L20 N21 E22 L26 G27 K42 Y86L20-R24 WeakPolarHBondContact O-CB 3.43Å; L20-R24 PolarHBondContact O-N 2.99Å; N21-R24 WeakPolarHBondContact O-CB 3.48Å; N21-R24 PolarHBondContact O-N 3.37Å; N21-R24 PolarHBondContact OD1-NE 3.04Å; N21-R24 PolarHBondContact OD1-NH2 3.39Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 3Å; R24-L26 VanDerWaalsContact C-N 3.34Å; R24-G27 PolarHBondContact O-N 2.76Å; R24-K42 VanDerWaalsContact CG-O 3.29Å; R24-K42 WeakPolarHBondContact CG-O 3.31Å; R24-Y86 HydrophobicContact CB-CD1 4.44Å; R24-Y86 HydrophobicContact CB-CE1 4.04Å; R24-Y86 HydrophobicContact CG-CE1 4.46Å
25L95.7Very high95.9Very high118 Ų11860 Ų6062%0.61832%0.323SS*.Hα-helixtrans-66.6-35.6180-72168.7000112.3N21 E22 G27N21-L25 VanDerWaalsContact O-CG 3.32Å; N21-L25 WeakPolarHBondContact O-CG 3.48Å; N21-L25 PolarHBondContact O-N 2.88Å; E22-L25 PolarHBondContact O-N 2.93Å; E22-L25 VanDerWaalsContact O-N 3.1Å; L25-G27 VanDerWaalsContact C-N 3.25Å; L25-G27 PolarHBondContact O-N 3.45Å
26L96.4Very high96.1Very high130 Ų13055.9 Ų55.968%0.68130%0.298SS*.THydrogen-bonded Turntrans-78.4-8171.7-62.5173.9000113E22 Q23 R24 L28E22-L26 WeakPolarHBondContact O-CG 3.31Å; E22-L26 PolarHBondContact O-N 3.37Å; Q23-L26 CarbonylContact O-C 3.55Å; Q23-L26 PolarHBondContact O-N 3.31Å; R24-L26 VanDerWaalsContact C-N 3.34Å; L26-L28 HydrophobicContact CB-CD1 3.96Å; L26-L28 HydrophobicContact CB-CG 3.85Å; L26-L28 HydrophobicContact CD1-CD1 3.95Å; L26-L28 PolarHBondContact O-N 2.8Å
27G94.3Very high95.8Very high14 Ų1459 Ų5914%0.14431%0.307CS..THydrogen-bonded Turntrans66.620.5-177.100000114.7Q23 R24 L25 K42Q23-G27 PolarHBondContact O-N 3.25Å; R24-G27 PolarHBondContact O-N 2.76Å; L25-G27 VanDerWaalsContact C-N 3.25Å; L25-G27 PolarHBondContact O-N 3.45Å; G27-K42 PolarHBondContact O-NZ 2.86Å; G27-K42 VanDerWaalsContact O-NZ 3.1Å
28L94.4Very high95.5Very high81 Ų8159.8 Ų59.842%0.42433%0.326SS..  trans-80.2147175.2-61.3175.4000110.3Q23 L26 C30 H44Q23-L28 HydrophobicContact CB-CB 4.38Å; Q23-L28 PolarHBondContact O-N 3.44Å; L26-L28 HydrophobicContact CB-CD1 3.96Å; L26-L28 HydrophobicContact CB-CG 3.85Å; L26-L28 HydrophobicContact CD1-CD1 3.95Å; L26-L28 PolarHBondContact O-N 2.8Å; L28-C30 PolarHBondContact O-N 3.37Å; L28-C30 PolarHBondContact O-SG 2.86Å; L28-H44 PolarHBondContact O-NE2 2.94Å
29Y95.8Very high95.5Very high179 Ų17963.3 Ų63.370%0.70234%0.335SS*.SBendtrans532.8176.6-45.9-64.9000117.1Q23 D31 H44Q23-Y29 HydrophobicContact CB-CD2 4.37Å; Q23-Y29 HydrophobicContact CG-CD2 3.98Å; Q23-Y29 HydrophobicContact CG-CE2 4.3Å; Y29-D31 PolarHBondContact O-N 3.25Å; Y29-H44 PolarHBondContact O-CD2 3.25Å
30C96.4Very high95.5Very high30 Ų3064 Ų6420%0.20335%0.345CS..  trans-68.8114.9178.6-67.90000111.2L28 K42 A43L28-C30 PolarHBondContact O-N 3.37Å; L28-C30 PolarHBondContact O-SG 2.86Å; C30-K42 HydrophobicContact CB-CB 3.94Å; C30-K42 HydrophobicContact CB-CD 4.42Å; C30-K42 HydrophobicContact CB-CG 4.45Å; C30-A43 WeakPolarHBondContact CA-O 3.29Å; C30-A43 WeakPolarHBondContact CB-O 3.4Å
31D95.3Very high95.4Very high73 Ų7363 Ų6339%0.3934%0.338SS..  trans-94.5-0.3-179.463.5-22.8000113.4Y29 A43 H44 R45Y29-D31 PolarHBondContact O-N 3.25Å; D31-A43 PolarHBondContact N-O 3.45Å; D31-H44 VanDerWaalsContact OD1-CA 3.23Å; D31-H44 WeakPolarHBondContact OD1-CA 3.44Å; D31-R45 WeakPolarHBondContact OD1-CG 3.36Å; D31-R45 PolarHBondContact OD1-N 2.83Å; D31-R45 WeakPolarHBondContact OD2-CB 3.34Å; D31-R45 WeakPolarHBondContact OD2-CD 3.45Å; D31-R45 VanDerWaalsContact OD2-CG 3.3Å; D31-R45 WeakPolarHBondContact OD2-CG 3.45Å
32V96.5Very high95.4Very high6 Ų667.2 Ų67.24%0.03636%0.355CS..EExtended strand (participates in β ladder)trans-142.7146.6173.964.70000113.5I34 A43 R45 L48 F59 N65 F67V32-I34 HydrophobicContact CG2-CD1 3.79Å; V32-A43 HydrophobicContact CG1-CB 4.22Å; V32-A43 WeakPolarHBondContact CG1-O 3.49Å; V32-A43 PolarHBondContact N-O 2.98Å; V32-A43 VanDerWaalsContact N-O 3.16Å; V32-A43 PolarHBondContact O-N 3.34Å; V32-A43 VanDerWaalsContact O-O 3.05Å; V32-R45 HydrophobicContact CB-CG 3.64Å; V32-R45 HydrophobicContact CG1-CB 4.46Å; V32-R45 HydrophobicContact CG1-CG 3.58Å; V32-R45 HydrophobicContact CG2-CG 4.49Å; V32-L48 HydrophobicContact CG1-CD1 4.13Å; V32-F59 HydrophobicContact CG1-CZ 4.14Å; V32-F59 HydrophobicContact CG2-CE1 4.01Å; V32-F59 HydrophobicContact CG2-CZ 4.16Å; V32-N65 CarbonylContact C-O 3.58Å; V32-N65 WeakPolarHBondContact CA-O 3.46Å; V32-F67 HydrophobicContact CG2-CD2 3.54Å; V32-F67 HydrophobicContact CG2-CE2 3.73Å
33S96.5Very high95.5Very high29 Ų2961.3 Ų61.320%0.20333%0.328CS..EExtended strand (participates in β ladder)trans-117125.3168.5-178.90000110.3F41 N65 A66 F67S33-F41 WeakPolarHBondContact CA-O 3.49Å; S33-N65 PolarHBondContact N-O 3.25Å; S33-A66 WeakPolarHBondContact O-CA 3.26Å; S33-F67 PolarHBondContact O-N 3.42Å
34I96.3Very high95.5Very high1 Ų159.2 Ų59.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-101.5120.2174.7-53-55.6000108.8V32 V36 F41 L48 F55 F67 L69 F78V32-I34 HydrophobicContact CG2-CD1 3.79Å; I34-V36 HydrophobicContact CG2-CG2 4.28Å; I34-F41 PolarHBondContact N-O 3.13Å; I34-F41 PolarHBondContact O-N 3.01Å; I34-L48 HydrophobicContact CD1-CD1 4.39Å; I34-L48 HydrophobicContact CG1-CD1 4.08Å; I34-F55 HydrophobicContact CD1-CD1 4.28Å; I34-F55 HydrophobicContact CD1-CE1 3.64Å; I34-F55 HydrophobicContact CD1-CZ 4.26Å; I34-F55 HydrophobicContact CG1-CE1 4.12Å; I34-F55 HydrophobicContact CG1-CZ 4.23Å; I34-F55 HydrophobicContact CG2-CE1 4.43Å; I34-F55 HydrophobicContact CG2-CZ 4.28Å; I34-F67 CarbonylContact C-O 3.56Å; I34-F67 WeakPolarHBondContact CA-O 3.43Å; I34-F67 HydrophobicContact CD1-CB 4.13Å; I34-F67 HydrophobicContact CD1-CD2 4.31Å; I34-L69 HydrophobicContact CG2-CD1 3.8Å; I34-L69 HydrophobicContact CG2-CD2 4.2Å; I34-L69 HydrophobicContact CG2-CG 3.64Å; I34-F78 HydrophobicContact CB-CE1 3.93Å; I34-F78 HydrophobicContact CB-CZ 3.9Å; I34-F78 HydrophobicContact CG1-CZ 4.14Å; I34-F78 HydrophobicContact CG2-CE1 3.83Å; I34-F78 HydrophobicContact CG2-CE2 4.25Å; I34-F78 HydrophobicContact CG2-CZ 3.62Å
35V95.8Very high95.4Very high33 Ų3360.2 Ų60.220%0.232%0.322CS..EExtended strand (participates in β ladder)trans-96.3131180-176.80000109.6Q39 A40 F67 E68 L69V35-Q39 CarbonylContact C-O 3.43Å; V35-Q39 WeakPolarHBondContact CA-O 3.1Å; V35-A40 HydrophobicContact CG2-CB 4.45Å; V35-F67 PolarHBondContact N-O 3.26Å; V35-E68 HydrophobicContact CB-CB 4.27Å; V35-E68 HydrophobicContact CB-CG 4.3Å; V35-E68 HydrophobicContact CG1-CG 4.35Å; V35-E68 WeakPolarHBondContact O-CA 3.49Å; V35-L69 PolarHBondContact O-N 2.73Å
36V95.1Very high95.4Very high0 Ų058.2 Ų58.20%032%0.323CS..EExtended strand (participates in β ladder)trans-136.2111.3178-169.10000108.2I34 G38 Q39 F41 L69 V73 P75 F78I34-V36 HydrophobicContact CG2-CG2 4.28Å; V36-G38 VanDerWaalsContact C-N 3.26Å; V36-G38 PolarHBondContact O-N 3.45Å; V36-Q39 PolarHBondContact N-O 3.03Å; V36-Q39 WeakPolarHBondContact O-CB 3.42Å; V36-Q39 PolarHBondContact O-N 3.18Å; V36-F41 HydrophobicContact CB-CE2 4.13Å; V36-F41 HydrophobicContact CG2-CD2 4.11Å; V36-F41 HydrophobicContact CG2-CE2 4.13Å; V36-L69 HydrophobicContact CG2-CB 4.25Å; V36-L69 HydrophobicContact CG2-CD1 3.91Å; V36-L69 HydrophobicContact CG2-CG 4.22Å; V36-V73 HydrophobicContact CG1-CB 4.15Å; V36-V73 HydrophobicContact CG1-CG1 3.95Å; V36-V73 VanDerWaalsContact CG1-O 3.3Å; V36-V73 WeakPolarHBondContact CG1-O 3.44Å; V36-P75 HydrophobicContact CB-CG 4.38Å; V36-P75 HydrophobicContact CG1-CB 4.47Å; V36-P75 HydrophobicContact CG1-CG 4.09Å; V36-F78 HydrophobicContact CG2-CB 4.14Å; V36-F78 HydrophobicContact CG2-CD1 3.79Å; V36-F78 HydrophobicContact CG2-CE1 4.41Å; V36-F78 HydrophobicContact CG2-CG 3.89Å
37K90.9Very high95.4Very high124 Ų12452.8 Ų52.854%0.53930%0.295SS..THydrogen-bonded Turntrans48.745.6-175.5-53.2-166.9-177.7-1630112.9Q39 G71 V73 P75K37-Q39 PolarHBondContact O-N 3.26Å; K37-G71 WeakPolarHBondContact CE-O 3.18Å; K37-G71 PolarHBondContact NZ-O 3.36Å; K37-V73 VanDerWaalsContact CE-O 3.26Å; K37-V73 WeakPolarHBondContact CE-O 3.43Å; K37-P75 HydrophobicContact CB-CG 4.14Å; K37-P75 HydrophobicContact CG-CG 4.43Å
38G89.6Confident95.5Very high65 Ų6552.2 Ų52.267%0.6729%0.288SS*.THydrogen-bonded Turntrans77.4-11.4-176.900000116.2V36V36-G38 VanDerWaalsContact C-N 3.26Å; V36-G38 PolarHBondContact O-N 3.45Å
39Q94.7Very high95.5Very high105 Ų10549.6 Ų49.649%0.49128%0.278SS..EExtended strand (participates in β ladder)trans-82.7125.9174.2-61.1-171.92.300110.5V35 V36 K37 F41 P75V35-Q39 CarbonylContact C-O 3.43Å; V35-Q39 WeakPolarHBondContact CA-O 3.1Å; V36-Q39 PolarHBondContact N-O 3.03Å; V36-Q39 WeakPolarHBondContact O-CB 3.42Å; V36-Q39 PolarHBondContact O-N 3.18Å; K37-Q39 PolarHBondContact O-N 3.26Å; Q39-F41 HydrophobicContact CB-CE2 3.83Å; Q39-F41 HydrophobicContact CB-CZ 4.26Å; Q39-P75 HydrophobicContact CB-CB 4.36Å; Q39-P75 HydrophobicContact CG-CB 4.38Å; Q39-P75 HydrophobicContact CG-CG 4.35Å
40A94.9Very high95.4Very high70 Ų7045.4 Ų45.458%0.57928%0.28SS*.EExtended strand (participates in β ladder)trans-100.7120-175.800000112.1V35V35-A40 HydrophobicContact CG2-CB 4.45Å
41F97Very high95.2Very high24 Ų2445.5 Ų45.511%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-108.1107.6-179.4-63.6-90000110.5S33 I34 V36 Q39 P75 F78 Q79 L82S33-F41 WeakPolarHBondContact CA-O 3.49Å; I34-F41 PolarHBondContact N-O 3.13Å; I34-F41 PolarHBondContact O-N 3.01Å; V36-F41 HydrophobicContact CB-CE2 4.13Å; V36-F41 HydrophobicContact CG2-CD2 4.11Å; V36-F41 HydrophobicContact CG2-CE2 4.13Å; Q39-F41 HydrophobicContact CB-CE2 3.83Å; Q39-F41 HydrophobicContact CB-CZ 4.26Å; F41-P75 HydrophobicContact CE2-CB 4.11Å; F41-P75 HydrophobicContact CZ-CB 3.95Å; F41-F78 HydrophobicContact CB-CD1 4.3Å; F41-F78 HydrophobicContact CB-CE1 3.83Å; F41-F78 HydrophobicContact CD1-CD1 4.34Å; F41-F78 AromaticContact CD2-CD1 3.69Å; F41-F78 HydrophobicContact CD2-CD1 3.69Å; F41-F78 HydrophobicContact CD2-CE1 4.03Å; F41-F78 HydrophobicContact CE2-CD1 4.07Å; F41-F78 AromaticContact CG-CD1 3.85Å; F41-F78 HydrophobicContact CG-CD1 3.85Å; F41-F78 AromaticContact CG-CE1 3.9Å; F41-F78 HydrophobicContact CG-CE1 3.9Å; F41-Q79 HydrophobicContact CE1-CB 3.93Å; F41-Q79 HydrophobicContact CE1-CG 4.33Å; F41-Q79 HydrophobicContact CZ-CB 4.47Å; F41-L82 HydrophobicContact CB-CD2 3.98Å; F41-L82 HydrophobicContact CD1-CD2 4.15Å; F41-L82 HydrophobicContact CG-CD2 4.42Å
42K97.3Very high95.2Very high116 Ų11642.1 Ų42.150%0.50426%0.264SS..EExtended strand (participates in β ladder)trans-66.5140.6171.1-75.6-174.5170.2-172.20111.3R24 G27 C30R24-K42 VanDerWaalsContact CG-O 3.29Å; R24-K42 WeakPolarHBondContact CG-O 3.31Å; G27-K42 PolarHBondContact O-NZ 2.86Å; G27-K42 VanDerWaalsContact O-NZ 3.1Å; C30-K42 HydrophobicContact CB-CB 3.94Å; C30-K42 HydrophobicContact CB-CD 4.42Å; C30-K42 HydrophobicContact CB-CG 4.45Å
43A97.7Very high94.9Very high0 Ų044.7 Ų44.70%028%0.277CS..EExtended strand (participates in β ladder)trans-157170.5176.200000112C30 D31 V32 L48 L82C30-A43 WeakPolarHBondContact CA-O 3.29Å; C30-A43 WeakPolarHBondContact CB-O 3.4Å; D31-A43 PolarHBondContact N-O 3.45Å; V32-A43 HydrophobicContact CG1-CB 4.22Å; V32-A43 WeakPolarHBondContact CG1-O 3.49Å; V32-A43 PolarHBondContact N-O 2.98Å; V32-A43 VanDerWaalsContact N-O 3.16Å; V32-A43 PolarHBondContact O-N 3.34Å; V32-A43 VanDerWaalsContact O-O 3.05Å; A43-L48 HydrophobicContact CB-CD1 3.71Å; A43-L48 HydrophobicContact CB-CG 4.15Å; A43-L82 HydrophobicContact CB-CD1 4.14Å
44H97.4Very high94.7Very high14 Ų1445.8 Ų45.87%0.06528%0.277CS..  trans-94.3130.1168.2-47.393.5000110.7L20 L28 Y29 D31 A46 V47 L48 Y86L20-H44 PolarHBondContact O-CE1 3.28Å; L28-H44 PolarHBondContact O-NE2 2.94Å; Y29-H44 PolarHBondContact O-CD2 3.25Å; D31-H44 VanDerWaalsContact OD1-CA 3.23Å; D31-H44 WeakPolarHBondContact OD1-CA 3.44Å; H44-A46 VanDerWaalsContact C-N 3.27Å; H44-A46 PolarHBondContact O-N 3.49Å; H44-V47 HydrophobicContact CB-CG2 4.24Å; H44-V47 PolarHBondContact O-N 3.03Å; H44-L48 PolarHBondContact O-N 2.92Å; H44-Y86 WeakPolarHBondContact CB-OH 3.14Å; H44-Y86 PolarHBondContact N-OH 2.84Å; H44-Y86 AromaticContact ND1-CE1 3.53Å; H44-Y86 AromaticContact ND1-CZ 3.71Å; H44-Y86 PolarHBondContact ND1-OH 3.17Å
45R95.6Very high94.6Very high52 Ų5245.9 Ų45.920%0.19628%0.277CS..Hα-helixtrans-58.6-39178.9-68.8171.673159.7-1111.8D31 V32 L48 A49 F59 N62D31-R45 WeakPolarHBondContact OD1-CG 3.36Å; D31-R45 PolarHBondContact OD1-N 2.83Å; D31-R45 WeakPolarHBondContact OD2-CB 3.34Å; D31-R45 WeakPolarHBondContact OD2-CD 3.45Å; D31-R45 VanDerWaalsContact OD2-CG 3.3Å; D31-R45 WeakPolarHBondContact OD2-CG 3.45Å; V32-R45 HydrophobicContact CB-CG 3.64Å; V32-R45 HydrophobicContact CG1-CB 4.46Å; V32-R45 HydrophobicContact CG1-CG 3.58Å; V32-R45 HydrophobicContact CG2-CG 4.49Å; R45-L48 PolarHBondContact O-N 3.15Å; R45-A49 WeakPolarHBondContact O-CB 3.41Å; R45-A49 PolarHBondContact O-N 3.04Å; R45-F59 HydrophobicContact CB-CD2 3.76Å; R45-F59 HydrophobicContact CB-CE2 3.77Å; R45-F59 HydrophobicContact CG-CD2 3.97Å; R45-F59 HydrophobicContact CG-CE1 4.48Å; R45-F59 HydrophobicContact CG-CE2 3.87Å; R45-F59 HydrophobicContact CG-CG 4.35Å; R45-F59 HydrophobicContact CG-CZ 4.14Å; R45-F59 PolarHBondContact NH2-O 3.33Å; R45-F59 VanDerWaalsContact NH2-O 3.1Å; R45-N62 PolarHBondContact NH2-O 3.37Å
46A95.6Very high94.4Very high77 Ų7750 Ų5064%0.63629%0.289SS*.Hα-helixtrans-59.3-49.4-179.800000112.7H44 A49 A50H44-A46 VanDerWaalsContact C-N 3.27Å; H44-A46 PolarHBondContact O-N 3.49Å; A46-A49 PolarHBondContact O-N 3.16Å; A46-A50 WeakPolarHBondContact O-CB 3.34Å; A46-A50 PolarHBondContact O-N 2.84Å
47V96.6Very high94.3Very high16 Ų1654.3 Ų54.310%0.09731%0.312CS..Hα-helixtrans-67.4-39.6-179-177.60000111.2L17 L20 H44 S51 C85 Y86L17-V47 HydrophobicContact CD1-CG1 4.19Å; L20-V47 HydrophobicContact CD1-CG2 4.01Å; H44-V47 HydrophobicContact CB-CG2 4.24Å; H44-V47 PolarHBondContact O-N 3.03Å; V47-S51 WeakPolarHBondContact O-CB 3.3Å; V47-S51 PolarHBondContact O-N 3.04Å; V47-S51 VanDerWaalsContact O-N 3.1Å; V47-S51 PolarHBondContact O-OG 3.16Å; V47-C85 WeakPolarHBondContact CG1-O 3.35Å; V47-Y86 HydrophobicContact CB-CE1 4.08Å; V47-Y86 HydrophobicContact CB-CE2 3.95Å; V47-Y86 HydrophobicContact CG1-CD1 4.18Å; V47-Y86 HydrophobicContact CG1-CD2 3.83Å; V47-Y86 HydrophobicContact CG1-CE1 3.93Å; V47-Y86 HydrophobicContact CG1-CE2 3.52Å; V47-Y86 HydrophobicContact CG1-CG 4.15Å; V47-Y86 HydrophobicContact CG2-CE1 3.9Å
48L96Very high94.2Very high2 Ų250.5 Ų50.51%0.0130%0.298CS..Hα-helixtrans-65.5-45.8175-72.4-178.2000111.8V32 I34 A43 H44 R45 A50 S51 S52 F55 F59 L82V32-L48 HydrophobicContact CG1-CD1 4.13Å; I34-L48 HydrophobicContact CD1-CD1 4.39Å; I34-L48 HydrophobicContact CG1-CD1 4.08Å; A43-L48 HydrophobicContact CB-CD1 3.71Å; A43-L48 HydrophobicContact CB-CG 4.15Å; H44-L48 PolarHBondContact O-N 2.92Å; R45-L48 PolarHBondContact O-N 3.15Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 2.97Å; L48-S51 PolarHBondContact O-N 3.02Å; L48-S52 VanDerWaalsContact O-CB 3.31Å; L48-S52 WeakPolarHBondContact O-CB 3.18Å; L48-S52 PolarHBondContact O-N 2.78Å; L48-F55 HydrophobicContact CB-CB 3.97Å; L48-F55 HydrophobicContact CB-CD2 4.02Å; L48-F55 HydrophobicContact CB-CG 4.08Å; L48-F55 HydrophobicContact CD1-CD2 4.29Å; L48-F55 HydrophobicContact CD1-CE2 4.42Å; L48-F55 HydrophobicContact CD1-CG 4.36Å; L48-F55 HydrophobicContact CD2-CD2 3.97Å; L48-F55 HydrophobicContact CD2-CE2 4.06Å; L48-F55 HydrophobicContact CG-CD2 4.32Å; L48-F59 HydrophobicContact CB-CE2 3.93Å; L48-F59 HydrophobicContact CB-CZ 4.36Å; L48-F59 HydrophobicContact CD1-CE2 4.41Å; L48-F59 HydrophobicContact CD1-CZ 4.06Å; L48-L82 HydrophobicContact CD2-CD1 3.88Å
49A94.4Very high94.3Very high26 Ų2648.2 Ų48.222%0.21527%0.269CS..Hα-helixtrans-68.4-28.6178.900000113.8R45 A46 R56 F59R45-A49 WeakPolarHBondContact O-CB 3.41Å; R45-A49 PolarHBondContact O-N 3.04Å; A46-A49 PolarHBondContact O-N 3.16Å; A49-R56 HydrophobicContact CB-CB 3.91Å; A49-R56 HydrophobicContact CB-CG 4.14Å; A49-F59 HydrophobicContact CB-CD2 4.29Å
50A93.7Very high93.9Very high90 Ų9047.9 Ų47.974%0.74428%0.279SS*.Hα-helixtrans-71.1-35.4170.600000112.2A46 L48A46-A50 WeakPolarHBondContact O-CB 3.34Å; A46-A50 PolarHBondContact O-N 2.84Å; L48-A50 VanDerWaalsContact C-N 3.33Å; L48-A50 PolarHBondContact O-N 2.97Å
51S92.9Very high93Very high33 Ų3348.9 Ų48.923%0.23130%0.295CS..Hα-helixtrans-89.7-25.5-174.9-54.20000114.3V47 L48 C85V47-S51 WeakPolarHBondContact O-CB 3.3Å; V47-S51 PolarHBondContact O-N 3.04Å; V47-S51 VanDerWaalsContact O-N 3.1Å; V47-S51 PolarHBondContact O-OG 3.16Å; L48-S51 PolarHBondContact O-N 3.02Å; S51-C85 VanDerWaalsContact CB-SG 3.58Å
52S94.4Very high92.1Very high1 Ų150.1 Ų50.11%0.00730%0.303CS..  trans-136.6122.4-167.91660000111.1L48 Y54 F55 R56 L107L48-S52 VanDerWaalsContact O-CB 3.31Å; L48-S52 WeakPolarHBondContact O-CB 3.18Å; L48-S52 PolarHBondContact O-N 2.78Å; S52-Y54 VanDerWaalsContact C-N 3.28Å; S52-Y54 PolarHBondContact O-N 3.11Å; S52-Y54 PolarHBondContact OG-N 3.1Å; S52-F55 PolarHBondContact O-N 3.22Å; S52-F55 WeakPolarHBondContact OG-CD2 3.45Å; S52-F55 PolarHBondContact OG-N 2.85Å; S52-R56 WeakPolarHBondContact O-CB 3.32Å; S52-R56 PolarHBondContact O-N 3.33Å; S52-L107 WeakPolarHBondContact CB-O 3.23Å; S52-L107 PolarHBondContact OG-O 3.3Å
53L90.2Very high91.2Very high61 Ų6149.8 Ų49.832%0.31932%0.315SS..Hα-helixtrans-65.6-35.7173.7-47.7179.6000110.9R56 D57 Q108L53-R56 PolarHBondContact O-N 3.1Å; L53-D57 WeakPolarHBondContact O-CB 3.41Å; L53-D57 PolarHBondContact O-N 3.24Å; L53-Q108 HydrophobicContact CB-CB 3.82Å; L53-Q108 HydrophobicContact CD1-CB 4.34Å; L53-Q108 HydrophobicContact CG-CB 4.21Å; L53-Q108 PolarHBondContact N-O 2.74Å
54Y92.4Very high90.8Very high52 Ų5256.1 Ų56.120%0.20434%0.343CS..Hα-helixtrans-59.5-49.9175.9173.5-95.7000111.8S52 D57 L58 L69 F106 L107S52-Y54 VanDerWaalsContact C-N 3.28Å; S52-Y54 PolarHBondContact O-N 3.11Å; S52-Y54 PolarHBondContact OG-N 3.1Å; Y54-D57 PolarHBondContact O-N 3.02Å; Y54-L58 HydrophobicContact CE1-CD2 3.89Å; Y54-L58 WeakPolarHBondContact O-CB 3.33Å; Y54-L58 PolarHBondContact O-N 3.5Å; Y54-L69 HydrophobicContact CE1-CD2 3.83Å; Y54-F106 HydrophobicContact CE1-CE1 4.44Å; Y54-F106 HydrophobicContact CE2-CE1 4.37Å; Y54-F106 AromaticContact CE2-CZ 3.95Å; Y54-F106 HydrophobicContact CE2-CZ 3.95Å; Y54-L107 WeakPolarHBondContact CB-O 3.48Å; Y54-L107 HydrophobicContact CD1-CD2 3.53Å; Y54-L107 HydrophobicContact CE1-CD2 3.88Å; Y54-L107 HydrophobicContact CG-CD2 4.26Å
55F93.9Very high90.3Very high2 Ų260.5 Ų60.51%0.00937%0.367CS..Hα-helixtrans-68.7-38179.1-75-54.9000112.5I34 L48 S52 D57 L58 F59 L69 F78 L107I34-F55 HydrophobicContact CD1-CD1 4.28Å; I34-F55 HydrophobicContact CD1-CE1 3.64Å; I34-F55 HydrophobicContact CD1-CZ 4.26Å; I34-F55 HydrophobicContact CG1-CE1 4.12Å; I34-F55 HydrophobicContact CG1-CZ 4.23Å; I34-F55 HydrophobicContact CG2-CE1 4.43Å; I34-F55 HydrophobicContact CG2-CZ 4.28Å; L48-F55 HydrophobicContact CB-CB 3.97Å; L48-F55 HydrophobicContact CB-CD2 4.02Å; L48-F55 HydrophobicContact CB-CG 4.08Å; L48-F55 HydrophobicContact CD1-CD2 4.29Å; L48-F55 HydrophobicContact CD1-CE2 4.42Å; L48-F55 HydrophobicContact CD1-CG 4.36Å; L48-F55 HydrophobicContact CD2-CD2 3.97Å; L48-F55 HydrophobicContact CD2-CE2 4.06Å; L48-F55 HydrophobicContact CG-CD2 4.32Å; S52-F55 PolarHBondContact O-N 3.22Å; S52-F55 WeakPolarHBondContact OG-CD2 3.45Å; S52-F55 PolarHBondContact OG-N 2.85Å; F55-D57 VanDerWaalsContact C-N 3.34Å; F55-D57 PolarHBondContact O-N 3.44Å; F55-L58 HydrophobicContact CD1-CD2 4.03Å; F55-L58 HydrophobicContact CE1-CD2 4.32Å; F55-L58 PolarHBondContact O-N 3.36Å; F55-F59 HydrophobicContact CB-CD2 4.39Å; F55-F59 HydrophobicContact CB-CE2 3.81Å; F55-F59 HydrophobicContact CB-CZ 3.98Å; F55-F59 HydrophobicContact CD1-CE1 4.18Å; F55-F59 AromaticContact CD1-CZ 3.82Å; F55-F59 HydrophobicContact CD1-CZ 3.82Å; F55-F59 HydrophobicContact CG-CE2 4.45Å; F55-F59 HydrophobicContact CG-CZ 4.17Å; F55-F59 WeakPolarHBondContact O-CB 3.47Å; F55-F59 WeakPolarHBondContact O-CD2 3.33Å; F55-F59 WeakPolarHBondContact O-CG 3.43Å; F55-F59 PolarHBondContact O-N 2.9Å; F55-L69 HydrophobicContact CE1-CD2 4.18Å; F55-L69 HydrophobicContact CZ-CD1 4.43Å; F55-L69 HydrophobicContact CZ-CD2 4.23Å; F55-F78 HydrophobicContact CE2-CE2 4.02Å; F55-F78 HydrophobicContact CE2-CZ 4.38Å; F55-F78 AromaticContact CZ-CE2 3.82Å; F55-F78 HydrophobicContact CZ-CE2 3.82Å; F55-F78 HydrophobicContact CZ-CZ 4.06Å; F55-L107 HydrophobicContact CE2-CD1 4.25Å; F55-L107 HydrophobicContact CE2-CD2 3.85Å; F55-L107 HydrophobicContact CZ-CD2 3.82Å
56R92.6Very high90.1Very high121 Ų12160.8 Ų60.846%0.45738%0.38SS..Hα-helixtrans-57.7-47174.4-171.4-173.567.2-165-1112A49 S52 L53 S60A49-R56 HydrophobicContact CB-CB 3.91Å; A49-R56 HydrophobicContact CB-CG 4.14Å; S52-R56 WeakPolarHBondContact O-CB 3.32Å; S52-R56 PolarHBondContact O-N 3.33Å; L53-R56 PolarHBondContact O-N 3.1Å; R56-S60 PolarHBondContact O-N 2.78Å
57D91.7Very high90Very high89 Ų8958 Ų5848%0.47635%0.354SS..Hα-helixtrans-73.7-36-178.4-62.31.2000110.8L53 Y54 F55 F59 S60L53-D57 WeakPolarHBondContact O-CB 3.41Å; L53-D57 PolarHBondContact O-N 3.24Å; Y54-D57 PolarHBondContact O-N 3.02Å; F55-D57 VanDerWaalsContact C-N 3.34Å; F55-D57 PolarHBondContact O-N 3.44Å; D57-F59 PolarHBondContact O-N 3.21Å; D57-S60 WeakPolarHBondContact O-CB 3.32Å; D57-S60 PolarHBondContact O-N 3.32Å
58L90.4Very high89.8Confident45 Ų4563.9 Ų63.924%0.23638%0.38CS..Hα-helixtrans-64.3-35.4174.6-17966.2000113.5Y54 F55 N62 F67Y54-L58 HydrophobicContact CE1-CD2 3.89Å; Y54-L58 WeakPolarHBondContact O-CB 3.33Å; Y54-L58 PolarHBondContact O-N 3.5Å; F55-L58 HydrophobicContact CD1-CD2 4.03Å; F55-L58 HydrophobicContact CE1-CD2 4.32Å; F55-L58 PolarHBondContact O-N 3.36Å; L58-N62 WeakPolarHBondContact O-CB 3.21Å; L58-F67 HydrophobicContact CD1-CD1 3.87Å; L58-F67 HydrophobicContact CD1-CE1 4.02Å; L58-F67 HydrophobicContact CD2-CB 4.17Å; L58-F67 HydrophobicContact CD2-CD1 3.64Å; L58-F67 HydrophobicContact CD2-CE1 4.17Å; L58-F67 HydrophobicContact CD2-CG 3.94Å; L58-F67 HydrophobicContact CG-CD1 3.71Å; L58-F67 HydrophobicContact CG-CE1 3.76Å; L58-F67 HydrophobicContact CG-CG 4.44Å
59F91.4Very high89.5Confident17 Ų1764 Ų648%0.07538%0.381CS..Hα-helixtrans-82.3-15.6177.6-61.3-21.1000112.9V32 R45 L48 A49 F55 D57 G61 N62 F67V32-F59 HydrophobicContact CG1-CZ 4.14Å; V32-F59 HydrophobicContact CG2-CE1 4.01Å; V32-F59 HydrophobicContact CG2-CZ 4.16Å; R45-F59 HydrophobicContact CB-CD2 3.76Å; R45-F59 HydrophobicContact CB-CE2 3.77Å; R45-F59 HydrophobicContact CG-CD2 3.97Å; R45-F59 HydrophobicContact CG-CE1 4.48Å; R45-F59 HydrophobicContact CG-CE2 3.87Å; R45-F59 HydrophobicContact CG-CG 4.35Å; R45-F59 HydrophobicContact CG-CZ 4.14Å; R45-F59 PolarHBondContact NH2-O 3.33Å; R45-F59 VanDerWaalsContact NH2-O 3.1Å; L48-F59 HydrophobicContact CB-CE2 3.93Å; L48-F59 HydrophobicContact CB-CZ 4.36Å; L48-F59 HydrophobicContact CD1-CE2 4.41Å; L48-F59 HydrophobicContact CD1-CZ 4.06Å; A49-F59 HydrophobicContact CB-CD2 4.29Å; F55-F59 HydrophobicContact CB-CD2 4.39Å; F55-F59 HydrophobicContact CB-CE2 3.81Å; F55-F59 HydrophobicContact CB-CZ 3.98Å; F55-F59 HydrophobicContact CD1-CE1 4.18Å; F55-F59 AromaticContact CD1-CZ 3.82Å; F55-F59 HydrophobicContact CD1-CZ 3.82Å; F55-F59 HydrophobicContact CG-CE2 4.45Å; F55-F59 HydrophobicContact CG-CZ 4.17Å; F55-F59 WeakPolarHBondContact O-CB 3.47Å; F55-F59 WeakPolarHBondContact O-CD2 3.33Å; F55-F59 WeakPolarHBondContact O-CG 3.43Å; F55-F59 PolarHBondContact O-N 2.9Å; D57-F59 PolarHBondContact O-N 3.21Å; F59-G61 PolarHBondContact O-N 2.89Å; F59-N62 PolarHBondContact O-N 3.46Å; F59-F67 HydrophobicContact CD1-CD2 4.45Å; F59-F67 AromaticContact CD1-CE2 3.77Å; F59-F67 HydrophobicContact CD1-CE2 3.77Å; F59-F67 AromaticContact CD1-CZ 3.8Å; F59-F67 HydrophobicContact CD1-CZ 3.8Å; F59-F67 AromaticContact CE1-CD2 3.9Å; F59-F67 HydrophobicContact CE1-CD2 3.9Å; F59-F67 AromaticContact CE1-CE2 3.62Å; F59-F67 HydrophobicContact CE1-CE2 3.62Å; F59-F67 HydrophobicContact CE1-CZ 4.09Å
60S85.6Confident89.1Confident98 Ų9865.4 Ų65.469%0.68539%0.388SS*.THydrogen-bonded Turntrans-71.6112.7178.9-165.40000110.4R56 D57 N62R56-S60 PolarHBondContact O-N 2.78Å; D57-S60 WeakPolarHBondContact O-CB 3.32Å; D57-S60 PolarHBondContact O-N 3.32Å; S60-N62 VanDerWaalsContact C-N 3.33Å; S60-N62 PolarHBondContact O-N 3.07Å
61G75.5Confident88.5Confident90 Ų9063.7 Ų63.793%0.92838%0.379SS*.THydrogen-bonded Turntrans76.911.1-177.400000115.4F59F59-G61 PolarHBondContact O-N 2.89Å
62N78Confident87.9Confident50 Ų5064.9 Ų64.927%0.26739%0.387SS..  trans-117126.5179.7-155.8-33.7000112.2R45 L58 F59 S60 K64 F67R45-N62 PolarHBondContact NH2-O 3.37Å; L58-N62 WeakPolarHBondContact O-CB 3.21Å; F59-N62 PolarHBondContact O-N 3.46Å; S60-N62 VanDerWaalsContact C-N 3.33Å; S60-N62 PolarHBondContact O-N 3.07Å; N62-K64 WeakPolarHBondContact OD1-CB 3.42Å; N62-K64 WeakPolarHBondContact OD1-CG 3.44Å; N62-K64 PolarHBondContact OD1-N 3.33Å; N62-K64 VanDerWaalsContact OD1-N 3.09Å; N62-F67 HydrophobicContact CB-CE1 4.32Å; N62-F67 HydrophobicContact CB-CZ 4.31Å
63S80.1Confident87.5Confident109 Ų10964.8 Ų64.876%0.76239%0.387SS*.  trans-98.33-179.855.10000114.1N65S63-N65 PolarHBondContact O-OD1 2.96Å
64K88.1Confident87.5Confident134 Ų13463.9 Ų63.958%0.58338%0.384SS*.  trans-69.2140.7175.1-67.3179.6-179.5-174.30111.1N62 F67N62-K64 WeakPolarHBondContact OD1-CB 3.42Å; N62-K64 WeakPolarHBondContact OD1-CG 3.44Å; N62-K64 PolarHBondContact OD1-N 3.33Å; N62-K64 VanDerWaalsContact OD1-N 3.09Å; K64-F67 HydrophobicContact CB-CE1 4.35Å; K64-F67 HydrophobicContact CB-CE2 4.49Å; K64-F67 HydrophobicContact CB-CZ 4.09Å; K64-F67 WeakPolarHBondContact O-CE2 3.44Å; K64-F67 VanDerWaalsContact O-CZ 3.29Å; K64-F67 WeakPolarHBondContact O-CZ 3.31Å
65N87.1Confident87.5Confident106 Ų10662.3 Ų62.357%0.56738%0.381SS*.SBendtrans-970.7174.4-60.6-7.7000112.4V32 S33 S63V32-N65 CarbonylContact C-O 3.58Å; V32-N65 WeakPolarHBondContact CA-O 3.46Å; S33-N65 PolarHBondContact N-O 3.25Å; S63-N65 PolarHBondContact O-OD1 2.96Å
66A91.3Very high87.4Confident58 Ų5865 Ų6548%0.47940%0.403SS..EExtended strand (participates in β ladder)trans-136134.2178.300000110.8S33S33-A66 WeakPolarHBondContact O-CA 3.26Å
67F93.1Very high87.3Confident18 Ų1859.5 Ų59.58%0.07938%0.383CS..EExtended strand (participates in β ladder)trans-137.8138.8179.5-59.8-94.2000109.8V32 S33 I34 V35 L58 F59 N62 K64V32-F67 HydrophobicContact CG2-CD2 3.54Å; V32-F67 HydrophobicContact CG2-CE2 3.73Å; S33-F67 PolarHBondContact O-N 3.42Å; I34-F67 CarbonylContact C-O 3.56Å; I34-F67 WeakPolarHBondContact CA-O 3.43Å; I34-F67 HydrophobicContact CD1-CB 4.13Å; I34-F67 HydrophobicContact CD1-CD2 4.31Å; V35-F67 PolarHBondContact N-O 3.26Å; L58-F67 HydrophobicContact CD1-CD1 3.87Å; L58-F67 HydrophobicContact CD1-CE1 4.02Å; L58-F67 HydrophobicContact CD2-CB 4.17Å; L58-F67 HydrophobicContact CD2-CD1 3.64Å; L58-F67 HydrophobicContact CD2-CE1 4.17Å; L58-F67 HydrophobicContact CD2-CG 3.94Å; L58-F67 HydrophobicContact CG-CD1 3.71Å; L58-F67 HydrophobicContact CG-CE1 3.76Å; L58-F67 HydrophobicContact CG-CG 4.44Å; F59-F67 HydrophobicContact CD1-CD2 4.45Å; F59-F67 AromaticContact CD1-CE2 3.77Å; F59-F67 HydrophobicContact CD1-CE2 3.77Å; F59-F67 AromaticContact CD1-CZ 3.8Å; F59-F67 HydrophobicContact CD1-CZ 3.8Å; F59-F67 AromaticContact CE1-CD2 3.9Å; F59-F67 HydrophobicContact CE1-CD2 3.9Å; F59-F67 AromaticContact CE1-CE2 3.62Å; F59-F67 HydrophobicContact CE1-CE2 3.62Å; F59-F67 HydrophobicContact CE1-CZ 4.09Å; N62-F67 HydrophobicContact CB-CE1 4.32Å; N62-F67 HydrophobicContact CB-CZ 4.31Å; K64-F67 HydrophobicContact CB-CE1 4.35Å; K64-F67 HydrophobicContact CB-CE2 4.49Å; K64-F67 HydrophobicContact CB-CZ 4.09Å; K64-F67 WeakPolarHBondContact O-CE2 3.44Å; K64-F67 VanDerWaalsContact O-CZ 3.29Å; K64-F67 WeakPolarHBondContact O-CZ 3.31Å
68E92.4Very high87.4Confident139 Ų13955.3 Ų55.365%0.6536%0.361SS*.EExtended strand (participates in β ladder)trans-103.8135.4176.1-173.7165.1-152.800110.9V35V35-E68 HydrophobicContact CB-CB 4.27Å; V35-E68 HydrophobicContact CB-CG 4.3Å; V35-E68 HydrophobicContact CG1-CG 4.35Å; V35-E68 WeakPolarHBondContact O-CA 3.49Å
69L90.4Very high87.6Confident4 Ų458.7 Ų58.72%0.02138%0.375CS..PPolyproline II helixtrans-90.3151.8173.5-61.4-173.1000111.2I34 V35 V36 Y54 F55 F78 L107I34-L69 HydrophobicContact CG2-CD1 3.8Å; I34-L69 HydrophobicContact CG2-CD2 4.2Å; I34-L69 HydrophobicContact CG2-CG 3.64Å; V35-L69 PolarHBondContact O-N 2.73Å; V36-L69 HydrophobicContact CG2-CB 4.25Å; V36-L69 HydrophobicContact CG2-CD1 3.91Å; V36-L69 HydrophobicContact CG2-CG 4.22Å; Y54-L69 HydrophobicContact CE1-CD2 3.83Å; F55-L69 HydrophobicContact CE1-CD2 4.18Å; F55-L69 HydrophobicContact CZ-CD1 4.43Å; F55-L69 HydrophobicContact CZ-CD2 4.23Å; L69-F78 HydrophobicContact CD1-CD2 3.61Å; L69-F78 HydrophobicContact CD1-CE2 3.68Å; L69-F78 HydrophobicContact CD1-CG 4.24Å; L69-F78 HydrophobicContact CD1-CZ 4.36Å; L69-L107 HydrophobicContact CD1-CD2 4.22Å; L69-L107 HydrophobicContact CD2-CD2 4.26Å
70P86.6Confident87.7Confident57 Ų5759.8 Ų59.837%0.3738%0.381SS..PPolyproline II helixtrans-55.4141.9177.5-25.835.3000113.2S72 V73 F106P70-S72 PolarHBondContact O-N 2.83Å; P70-V73 PolarHBondContact O-N 3.24Å; P70-F106 HydrophobicContact CG-CE1 4.28Å; P70-F106 HydrophobicContact CG-CE2 4.25Å; P70-F106 HydrophobicContact CG-CZ 3.67Å
71G80.3Confident88.1Confident54 Ų5455.2 Ų55.256%0.55735%0.348SS*.THydrogen-bonded Turntrans-62.6-1.8179.900000116.1K37 V73K37-G71 WeakPolarHBondContact CE-O 3.18Å; K37-G71 PolarHBondContact NZ-O 3.36Å; G71-V73 VanDerWaalsContact C-N 3.27Å
72S80.3Confident89.1Confident57 Ų5751 Ų5140%0.39931%0.305SS..THydrogen-bonded Turntrans-71.5-20.216655.90000113P70 P74 Y102P70-S72 PolarHBondContact O-N 2.83Å; S72-P74 WeakPolarHBondContact O-CD 3.26Å; S72-Y102 PolarHBondContact OG-OH 3.44Å
73V87.4Confident89.9Confident0 Ų051 Ų510%031%0.308CS..SBendtrans-85.6123.2178.4-179.50000110.8V36 K37 P70 G71 F78 T103 F106V36-V73 HydrophobicContact CG1-CB 4.15Å; V36-V73 HydrophobicContact CG1-CG1 3.95Å; V36-V73 VanDerWaalsContact CG1-O 3.3Å; V36-V73 WeakPolarHBondContact CG1-O 3.44Å; K37-V73 VanDerWaalsContact CE-O 3.26Å; K37-V73 WeakPolarHBondContact CE-O 3.43Å; P70-V73 PolarHBondContact O-N 3.24Å; G71-V73 VanDerWaalsContact C-N 3.27Å; V73-F78 HydrophobicContact CG1-CB 4.04Å; V73-T103 HydrophobicContact CB-CG2 4.43Å; V73-T103 HydrophobicContact CG1-CG2 3.57Å; V73-T103 HydrophobicContact CG2-CG2 4.07Å; V73-F106 HydrophobicContact CG2-CD1 4.39Å
74P89.1Confident90.6Very high41 Ų4147.2 Ų47.227%0.26628%0.278SS..  trans-76.7141.5169.8-15.731.4000111.8S72 A76 C77 F78 V99S72-P74 WeakPolarHBondContact O-CD 3.26Å; P74-A76 PolarHBondContact O-N 3.2Å; P74-C77 HydrophobicContact CB-CB 4.1Å; P74-C77 HydrophobicContact CG-CB 4.2Å; P74-C77 WeakPolarHBondContact O-CB 3.3Å; P74-C77 PolarHBondContact O-N 3.03Å; P74-F78 PolarHBondContact O-N 3.3Å; P74-V99 HydrophobicContact CG-CG1 3.72Å
75P92.6Very high91Very high20 Ų2041.2 Ų41.213%0.1325%0.253CS..Hα-helixtrans-59.5-40.5178.9-25.634.5000114.2V36 K37 Q39 F41 C77 F78 Q79V36-P75 HydrophobicContact CB-CG 4.38Å; V36-P75 HydrophobicContact CG1-CB 4.47Å; V36-P75 HydrophobicContact CG1-CG 4.09Å; K37-P75 HydrophobicContact CB-CG 4.14Å; K37-P75 HydrophobicContact CG-CG 4.43Å; Q39-P75 HydrophobicContact CB-CB 4.36Å; Q39-P75 HydrophobicContact CG-CB 4.38Å; Q39-P75 HydrophobicContact CG-CG 4.35Å; F41-P75 HydrophobicContact CE2-CB 4.11Å; F41-P75 HydrophobicContact CZ-CB 3.95Å; P75-C77 PolarHBondContact O-N 3.23Å; P75-F78 PolarHBondContact O-N 3.01Å; P75-Q79 WeakPolarHBondContact O-CB 3.16Å; P75-Q79 PolarHBondContact O-N 2.66Å
76A90.8Very high91.4Very high58 Ų5836.3 Ų36.348%0.47923%0.227SC..Hα-helixtrans-62.2-40.5177.600000112.8P74 Q79 Q80P74-A76 PolarHBondContact O-N 3.2Å; A76-Q79 WeakPolarHBondContact O-CB 3.46Å; A76-Q79 PolarHBondContact O-N 3.36Å; A76-Q80 WeakPolarHBondContact O-CG 3.4Å; A76-Q80 PolarHBondContact O-N 3.13Å
77C91.6Very high91.5Very high6 Ų634.8 Ų34.84%0.04121%0.212CC..Hα-helixtrans-63.8-44.2173.7175.20000111.3P74 P75 Q79 Q80 I81 V99 V100 T103P74-C77 HydrophobicContact CB-CB 4.1Å; P74-C77 HydrophobicContact CG-CB 4.2Å; P74-C77 WeakPolarHBondContact O-CB 3.3Å; P74-C77 PolarHBondContact O-N 3.03Å; P75-C77 PolarHBondContact O-N 3.23Å; C77-Q79 VanDerWaalsContact C-N 3.3Å; C77-Q79 PolarHBondContact O-N 3.31Å; C77-Q80 PolarHBondContact O-N 3.1Å; C77-I81 WeakPolarHBondContact O-CG1 2.92Å; C77-I81 PolarHBondContact O-N 2.76Å; C77-V99 HydrophobicContact CB-CG1 4.44Å; C77-V100 VanDerWaalsContact SG-CA 3.59Å; C77-T103 WeakPolarHBondContact SG-CB 3.46Å; C77-T103 PolarHBondContact SG-OG1 3.46Å
78F94.3Very high91.4Very high1 Ų136.6 Ų36.60%0.00424%0.235CC..Hα-helixtrans-62.3-37.6173.8-175.3-106.4000112.2I34 V36 F41 F55 L69 V73 P74 P75 I81 L82 L107I34-F78 HydrophobicContact CB-CE1 3.93Å; I34-F78 HydrophobicContact CB-CZ 3.9Å; I34-F78 HydrophobicContact CG1-CZ 4.14Å; I34-F78 HydrophobicContact CG2-CE1 3.83Å; I34-F78 HydrophobicContact CG2-CE2 4.25Å; I34-F78 HydrophobicContact CG2-CZ 3.62Å; V36-F78 HydrophobicContact CG2-CB 4.14Å; V36-F78 HydrophobicContact CG2-CD1 3.79Å; V36-F78 HydrophobicContact CG2-CE1 4.41Å; V36-F78 HydrophobicContact CG2-CG 3.89Å; F41-F78 HydrophobicContact CB-CD1 4.3Å; F41-F78 HydrophobicContact CB-CE1 3.83Å; F41-F78 HydrophobicContact CD1-CD1 4.34Å; F41-F78 AromaticContact CD2-CD1 3.69Å; F41-F78 HydrophobicContact CD2-CD1 3.69Å; F41-F78 HydrophobicContact CD2-CE1 4.03Å; F41-F78 HydrophobicContact CE2-CD1 4.07Å; F41-F78 AromaticContact CG-CD1 3.85Å; F41-F78 HydrophobicContact CG-CD1 3.85Å; F41-F78 AromaticContact CG-CE1 3.9Å; F41-F78 HydrophobicContact CG-CE1 3.9Å; F55-F78 HydrophobicContact CE2-CE2 4.02Å; F55-F78 HydrophobicContact CE2-CZ 4.38Å; F55-F78 AromaticContact CZ-CE2 3.82Å; F55-F78 HydrophobicContact CZ-CE2 3.82Å; F55-F78 HydrophobicContact CZ-CZ 4.06Å; L69-F78 HydrophobicContact CD1-CD2 3.61Å; L69-F78 HydrophobicContact CD1-CE2 3.68Å; L69-F78 HydrophobicContact CD1-CG 4.24Å; L69-F78 HydrophobicContact CD1-CZ 4.36Å; V73-F78 HydrophobicContact CG1-CB 4.04Å; P74-F78 PolarHBondContact O-N 3.3Å; P75-F78 PolarHBondContact O-N 3.01Å; F78-I81 PolarHBondContact O-N 3.16Å; F78-L82 HydrophobicContact CE1-CB 4.39Å; F78-L82 HydrophobicContact CE1-CD2 4.19Å; F78-L82 VanDerWaalsContact O-CB 3.26Å; F78-L82 WeakPolarHBondContact O-CB 3.29Å; F78-L82 PolarHBondContact O-N 3.48Å; F78-L107 HydrophobicContact CD2-CD1 3.9Å; F78-L107 HydrophobicContact CE2-CD1 3.88Å
79Q94.4Very high91.2Very high116 Ų11638.3 Ų38.354%0.54224%0.236SC..Hα-helixtrans-64.8-41.9175.7-176.5176-4400112.6F41 P75 A76 C77 I81 L82 S83F41-Q79 HydrophobicContact CE1-CB 3.93Å; F41-Q79 HydrophobicContact CE1-CG 4.33Å; F41-Q79 HydrophobicContact CZ-CB 4.47Å; P75-Q79 WeakPolarHBondContact O-CB 3.16Å; P75-Q79 PolarHBondContact O-N 2.66Å; A76-Q79 WeakPolarHBondContact O-CB 3.46Å; A76-Q79 PolarHBondContact O-N 3.36Å; C77-Q79 VanDerWaalsContact C-N 3.3Å; C77-Q79 PolarHBondContact O-N 3.31Å; Q79-I81 VanDerWaalsContact C-N 3.34Å; Q79-L82 PolarHBondContact O-N 3.13Å; Q79-S83 WeakPolarHBondContact O-CB 3.1Å; Q79-S83 PolarHBondContact O-N 3.1Å
80Q93.3Very high91.2Very high40 Ų4040.4 Ų40.419%0.18725%0.246CC..Hα-helixtrans-59.1-45.4172.6-73.7168.1-21.600111.1A76 C77 S83 F84 L90 E96A76-Q80 WeakPolarHBondContact O-CG 3.4Å; A76-Q80 PolarHBondContact O-N 3.13Å; C77-Q80 PolarHBondContact O-N 3.1Å; Q80-S83 WeakPolarHBondContact O-CB 3.41Å; Q80-S83 PolarHBondContact O-N 2.78Å; Q80-F84 PolarHBondContact O-N 3.39Å; Q80-L90 HydrophobicContact CB-CD1 4.18Å; Q80-E96 PolarHBondContact NE2-OE1 3.49Å; Q80-E96 PolarHBondContact NE2-OE2 2.87Å
81I94.4Very high91.1Very high1 Ų143.4 Ų43.41%0.00526%0.264CS..Hα-helixtrans-68.3-41179.2-72.4166.8000112.3C77 F78 Q79 S83 F84 C85 V100 T103 A104 L107 I109 I112C77-I81 WeakPolarHBondContact O-CG1 2.92Å; C77-I81 PolarHBondContact O-N 2.76Å; F78-I81 PolarHBondContact O-N 3.16Å; Q79-I81 VanDerWaalsContact C-N 3.34Å; I81-S83 VanDerWaalsContact C-N 3.32Å; I81-S83 PolarHBondContact O-N 3.09Å; I81-F84 WeakPolarHBondContact O-CB 3.24Å; I81-F84 PolarHBondContact O-N 2.93Å; I81-C85 PolarHBondContact O-N 3.4Å; I81-C85 VanDerWaalsContact O-N 3.1Å; I81-C85 PolarHBondContact O-SG 2.93Å; I81-V100 HydrophobicContact CD1-CG1 4.32Å; I81-V100 HydrophobicContact CG1-CG1 4.16Å; I81-T103 HydrophobicContact CD1-CG2 3.49Å; I81-T103 VanDerWaalsContact CD1-CG2 3.49Å; I81-A104 HydrophobicContact CD1-CB 4Å; I81-A104 HydrophobicContact CG1-CB 4.43Å; I81-L107 HydrophobicContact CG2-CD1 4.05Å; I81-I109 HydrophobicContact CG2-CD1 3.22Å; I81-I112 HydrophobicContact CG1-CD1 4.29Å; I81-I112 HydrophobicContact CG2-CD1 4.44Å
82L95.6Very high91.3Very high3 Ų343.4 Ų43.42%0.01625%0.25CC..Hα-helixtrans-63.6-39.6174.6-179.162000110.7F41 A43 L48 F78 Q79 C85 Y86F41-L82 HydrophobicContact CB-CD2 3.98Å; F41-L82 HydrophobicContact CD1-CD2 4.15Å; F41-L82 HydrophobicContact CG-CD2 4.42Å; A43-L82 HydrophobicContact CB-CD1 4.14Å; L48-L82 HydrophobicContact CD2-CD1 3.88Å; F78-L82 HydrophobicContact CE1-CB 4.39Å; F78-L82 HydrophobicContact CE1-CD2 4.19Å; F78-L82 VanDerWaalsContact O-CB 3.26Å; F78-L82 WeakPolarHBondContact O-CB 3.29Å; F78-L82 PolarHBondContact O-N 3.48Å; Q79-L82 PolarHBondContact O-N 3.13Å; L82-C85 PolarHBondContact O-N 2.83Å; L82-Y86 HydrophobicContact CD1-CD2 4.17Å; L82-Y86 HydrophobicContact CD1-CE2 3.86Å; L82-Y86 WeakPolarHBondContact O-CD2 3.21Å
83S95.1Very high91.5Very high48 Ų4844 Ų4434%0.33625%0.252SS..Hα-helixtrans-61.7-42.1173.1-166.30000111.9Q79 Q80 I81 C85 Y86 T87Q79-S83 WeakPolarHBondContact O-CB 3.1Å; Q79-S83 PolarHBondContact O-N 3.1Å; Q80-S83 WeakPolarHBondContact O-CB 3.41Å; Q80-S83 PolarHBondContact O-N 2.78Å; I81-S83 VanDerWaalsContact C-N 3.32Å; I81-S83 PolarHBondContact O-N 3.09Å; S83-C85 PolarHBondContact O-N 3.43Å; S83-Y86 CarbonylContact O-C 3.54Å; S83-Y86 PolarHBondContact O-N 2.77Å; S83-Y86 VanDerWaalsContact O-N 3.15Å; S83-T87 WeakPolarHBondContact O-CB 3.06Å; S83-T87 WeakPolarHBondContact O-CG2 3.35Å; S83-T87 PolarHBondContact O-N 2.76Å; S83-T87 VanDerWaalsContact O-N 3.1Å; S83-T87 PolarHBondContact O-OG1 2.91Å
84F95.3Very high91.1Very high31 Ų3148 Ų4814%0.13629%0.285CS..Hα-helixtrans-58.3-45.4174.5169.4-91.6000112.5Q80 I81 Y86 T87 G88 R89 L90 I109 H111 I112Q80-F84 PolarHBondContact O-N 3.39Å; I81-F84 WeakPolarHBondContact O-CB 3.24Å; I81-F84 PolarHBondContact O-N 2.93Å; F84-Y86 PolarHBondContact O-N 3.1Å; F84-T87 PolarHBondContact O-N 3.19Å; F84-T87 VanDerWaalsContact O-N 3.11Å; F84-G88 WeakPolarHBondContact CE2-O 3.39Å; F84-G88 PolarHBondContact O-N 3.46Å; F84-R89 VanDerWaalsContact CA-O 3.31Å; F84-R89 WeakPolarHBondContact CA-O 3.36Å; F84-L90 HydrophobicContact CB-CB 4.27Å; F84-L90 HydrophobicContact CB-CD1 4.22Å; F84-L90 HydrophobicContact CD2-CB 3.82Å; F84-L90 HydrophobicContact CG-CB 4.36Å; F84-I109 HydrophobicContact CD1-CG2 4.23Å; F84-I109 HydrophobicContact CE1-CG2 3.86Å; F84-H111 HydrophobicContact CZ-CB 4.06Å; F84-I112 HydrophobicContact CB-CD1 4.37Å; F84-I112 HydrophobicContact CD1-CD1 3.55Å; F84-I112 HydrophobicContact CD1-CG1 3.69Å; F84-I112 HydrophobicContact CD2-CG1 4.32Å; F84-I112 HydrophobicContact CE1-CD1 3.96Å; F84-I112 HydrophobicContact CE1-CG1 3.59Å; F84-I112 HydrophobicContact CE2-CG1 4.23Å; F84-I112 HydrophobicContact CG-CD1 3.92Å; F84-I112 HydrophobicContact CG-CG1 4.07Å; F84-I112 HydrophobicContact CZ-CG1 3.86Å
85C95.3Very high90.7Very high8 Ų851.1 Ų51.15%0.05431%0.307CS..Hα-helixtrans-59.1-19.7179.4-610000113.5V47 S51 I81 L82 S83V47-C85 WeakPolarHBondContact CG1-O 3.35Å; S51-C85 VanDerWaalsContact CB-SG 3.58Å; I81-C85 PolarHBondContact O-N 3.4Å; I81-C85 VanDerWaalsContact O-N 3.1Å; I81-C85 PolarHBondContact O-SG 2.93Å; L82-C85 PolarHBondContact O-N 2.83Å; S83-C85 PolarHBondContact O-N 3.43Å
86Y95.7Very high90.1Very high2 Ų253.1 Ų53.11%0.00832%0.315CS..THydrogen-bonded Turntrans-113.23.6-178.4-77.6-100.3000114L20 N21 R24 H44 V47 L82 S83 F84L20-Y86 HydrophobicContact CB-CD1 4.28Å; L20-Y86 HydrophobicContact CB-CE1 4.16Å; L20-Y86 WeakPolarHBondContact O-CE1 3.32Å; N21-Y86 HydrophobicContact CB-CD1 4.13Å; N21-Y86 HydrophobicContact CB-CG 4.48Å; N21-Y86 VanDerWaalsContact OD1-CB 3.31Å; N21-Y86 WeakPolarHBondContact OD1-CB 3.37Å; R24-Y86 HydrophobicContact CB-CD1 4.44Å; R24-Y86 HydrophobicContact CB-CE1 4.04Å; R24-Y86 HydrophobicContact CG-CE1 4.46Å; H44-Y86 WeakPolarHBondContact CB-OH 3.14Å; H44-Y86 PolarHBondContact N-OH 2.84Å; H44-Y86 AromaticContact ND1-CE1 3.53Å; H44-Y86 AromaticContact ND1-CZ 3.71Å; H44-Y86 PolarHBondContact ND1-OH 3.17Å; V47-Y86 HydrophobicContact CB-CE1 4.08Å; V47-Y86 HydrophobicContact CB-CE2 3.95Å; V47-Y86 HydrophobicContact CG1-CD1 4.18Å; V47-Y86 HydrophobicContact CG1-CD2 3.83Å; V47-Y86 HydrophobicContact CG1-CE1 3.93Å; V47-Y86 HydrophobicContact CG1-CE2 3.52Å; V47-Y86 HydrophobicContact CG1-CG 4.15Å; V47-Y86 HydrophobicContact CG2-CE1 3.9Å; L82-Y86 HydrophobicContact CD1-CD2 4.17Å; L82-Y86 HydrophobicContact CD1-CE2 3.86Å; L82-Y86 WeakPolarHBondContact O-CD2 3.21Å; S83-Y86 CarbonylContact O-C 3.54Å; S83-Y86 PolarHBondContact O-N 2.77Å; S83-Y86 VanDerWaalsContact O-N 3.15Å; F84-Y86 PolarHBondContact O-N 3.1Å
87T93.4Very high89.7Confident27 Ų2751.6 Ų51.617%0.16630%0.298CS..THydrogen-bonded Turntrans-142.4-13.9-176.563.40000114.9S83 F84 R89S83-T87 WeakPolarHBondContact O-CB 3.06Å; S83-T87 WeakPolarHBondContact O-CG2 3.35Å; S83-T87 PolarHBondContact O-N 2.76Å; S83-T87 VanDerWaalsContact O-N 3.1Å; S83-T87 PolarHBondContact O-OG1 2.91Å; F84-T87 PolarHBondContact O-N 3.19Å; F84-T87 VanDerWaalsContact O-N 3.11Å; T87-R89 PolarHBondContact O-N 2.94Å; T87-R89 VanDerWaalsContact O-N 3.16Å; T87-R89 PolarHBondContact O-NH1 3.15Å; T87-R89 PolarHBondContact OG1-N 2.88Å; T87-R89 PolarHBondContact OG1-O 2.93Å
88G90.4Very high89.2Confident55 Ų5556 Ų5657%0.56732%0.321SS*.SBendtrans65.84.2-169.800000114.4F84F84-G88 WeakPolarHBondContact CE2-O 3.39Å; F84-G88 PolarHBondContact O-N 3.46Å
89R89.9Confident88.8Confident176 Ų17658.8 Ų58.866%0.66434%0.337SS*.  trans-115.9135.7-175.2-64.6-175-60.8-79.213.8110.2F84 T87F84-R89 VanDerWaalsContact CA-O 3.31Å; F84-R89 WeakPolarHBondContact CA-O 3.36Å; T87-R89 PolarHBondContact O-N 2.94Å; T87-R89 VanDerWaalsContact O-N 3.16Å; T87-R89 PolarHBondContact O-NH1 3.15Å; T87-R89 PolarHBondContact OG1-N 2.88Å; T87-R89 PolarHBondContact OG1-O 2.93Å
90L89.1Confident88.4Confident47 Ų4753.3 Ų53.325%0.24631%0.312CS..  trans-129.1130.4178.4-176.260.9000108.9Q80 F84 M92 V100 I112Q80-L90 HydrophobicContact CB-CD1 4.18Å; F84-L90 HydrophobicContact CB-CB 4.27Å; F84-L90 HydrophobicContact CB-CD1 4.22Å; F84-L90 HydrophobicContact CD2-CB 3.82Å; F84-L90 HydrophobicContact CG-CB 4.36Å; L90-M92 HydrophobicContact CD1-CE 4.33Å; L90-M92 HydrophobicContact CD2-CE 3.31Å; L90-M92 HydrophobicContact CG-CE 3.52Å; L90-V100 HydrophobicContact CD1-CG1 4.29Å; L90-V100 HydrophobicContact CD2-CG1 4.09Å; L90-I112 HydrophobicContact CD2-CB 4.42Å; L90-I112 HydrophobicContact CD2-CD1 3.97Å; L90-I112 HydrophobicContact CD2-CG1 3.97Å; L90-I112 HydrophobicContact CD2-CG2 3.63Å
91T84.9Confident88Confident121 Ų12152.2 Ų52.274%0.74231%0.307SS*.  trans-134.4129179.1-52.30000107.3
92M84.1Confident87.5Confident53 Ų5354.7 Ų54.726%0.26132%0.317SS..  trans-149.1154.9-175.768.4-171.17700108.1L90 E96 Q97 V100L90-M92 HydrophobicContact CD1-CE 4.33Å; L90-M92 HydrophobicContact CD2-CE 3.31Å; L90-M92 HydrophobicContact CG-CE 3.52Å; M92-E96 HydrophobicContact CB-CB 4.44Å; M92-Q97 HydrophobicContact SD-CB 3.92Å; M92-Q97 HydrophobicContact SD-CG 3.88Å; M92-V100 HydrophobicContact CB-CG2 4.12Å; M92-V100 HydrophobicContact CE-CB 4.15Å; M92-V100 HydrophobicContact CE-CG1 3.68Å; M92-V100 HydrophobicContact SD-CB 4.02Å; M92-V100 HydrophobicContact SD-CG1 4.22Å; M92-V100 HydrophobicContact SD-CG2 4.35Å
93T84.1Confident87.2Confident71 Ų7154.6 Ų54.644%0.43632%0.316SS..  trans-78.9159.5167.861.50000111.1S95 E96 Q97T93-S95 PolarHBondContact O-N 3.39Å; T93-S95 PolarHBondContact OG1-OG 3.27Å; T93-E96 WeakPolarHBondContact CB-OE2 3.31Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.39Å; T93-E96 PolarHBondContact N-OE2 3.4Å; T93-E96 PolarHBondContact O-N 2.98Å; T93-E96 VanDerWaalsContact O-N 3.1Å; T93-E96 WeakPolarHBondContact OG1-CB 3.47Å; T93-E96 WeakPolarHBondContact OG1-CG 3.36Å; T93-E96 PolarHBondContact OG1-N 3.22Å; T93-E96 PolarHBondContact OG1-OE2 3.4Å; T93-Q97 PolarHBondContact O-N 3.28Å; T93-Q97 VanDerWaalsContact O-N 3.13Å
94A78.9Confident86.8Confident84 Ų8452.3 Ų52.369%0.69430%0.3SS*.THydrogen-bonded Turntrans-61.2-33.4178.300000112.8Q97A94-Q97 WeakPolarHBondContact O-CB 3.43Å; A94-Q97 PolarHBondContact O-N 3.06Å
95S80.8Confident86.3Confident105 Ų10550.9 Ų50.973%0.73429%0.294SS*.THydrogen-bonded Turntrans-68.5-32.2174.139.60000113.3T93T93-S95 PolarHBondContact O-N 3.39Å; T93-S95 PolarHBondContact OG1-OG 3.27Å
96E80.7Confident86Confident63 Ų6353.6 Ų53.629%0.29431%0.305SS..THydrogen-bonded Turntrans-79.5-19.7175.3-70.8167.2130.400113.3Q80 M92 T93 L98 V99 V100Q80-E96 PolarHBondContact NE2-OE1 3.49Å; Q80-E96 PolarHBondContact NE2-OE2 2.87Å; M92-E96 HydrophobicContact CB-CB 4.44Å; T93-E96 WeakPolarHBondContact CB-OE2 3.31Å; T93-E96 WeakPolarHBondContact CG2-OE2 3.39Å; T93-E96 PolarHBondContact N-OE2 3.4Å; T93-E96 PolarHBondContact O-N 2.98Å; T93-E96 VanDerWaalsContact O-N 3.1Å; T93-E96 WeakPolarHBondContact OG1-CB 3.47Å; T93-E96 WeakPolarHBondContact OG1-CG 3.36Å; T93-E96 PolarHBondContact OG1-N 3.22Å; T93-E96 PolarHBondContact OG1-OE2 3.4Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.45Å; E96-L98 VanDerWaalsContact O-N 3.15Å; E96-V99 WeakPolarHBondContact O-CA 3.47Å; E96-V99 WeakPolarHBondContact O-CB 3.44Å; E96-V99 PolarHBondContact O-N 3.42Å; E96-V100 HydrophobicContact CB-CG2 4.21Å; E96-V100 PolarHBondContact O-N 2.93Å
97Q81.8Confident85.7Confident25 Ų2553.5 Ų53.512%0.11731%0.305CS..Hα-helixtrans-53-43.2-168-176178.7-4.100114M92 T93 A94 V99 M101 M120M92-Q97 HydrophobicContact SD-CB 3.92Å; M92-Q97 HydrophobicContact SD-CG 3.88Å; T93-Q97 PolarHBondContact O-N 3.28Å; T93-Q97 VanDerWaalsContact O-N 3.13Å; A94-Q97 WeakPolarHBondContact O-CB 3.43Å; A94-Q97 PolarHBondContact O-N 3.06Å; Q97-V99 VanDerWaalsContact C-N 3.33Å; Q97-V99 PolarHBondContact O-N 3.06Å; Q97-M101 VanDerWaalsContact O-CB 3.29Å; Q97-M101 WeakPolarHBondContact O-CB 3.39Å; Q97-M101 VanDerWaalsContact O-CG 3.22Å; Q97-M101 WeakPolarHBondContact O-CG 3.35Å; Q97-M101 PolarHBondContact O-N 3.48Å; Q97-M120 HydrophobicContact CG-CE 4.49Å
98L81.9Confident85.5Confident100 Ų10055.8 Ų55.852%0.52431%0.313SS..Hα-helixtrans-63.2-38.7177.1-72.6166.8000112.2E96 Y102 M120 M457E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.45Å; E96-L98 VanDerWaalsContact O-N 3.15Å; L98-Y102 VanDerWaalsContact O-CB 3.29Å; L98-Y102 WeakPolarHBondContact O-CB 3.46Å; L98-Y102 PolarHBondContact O-N 3.37Å; L98-M120 HydrophobicContact CD2-CE 3.82Å; L98-M457 HydrophobicContact CD2-CE 4.29Å
99V84.8Confident85.5Confident59 Ų5953.2 Ų53.236%0.35829%0.287SS..Hα-helixtrans-77.3-37.7-176.3-175.90000111.5P74 C77 E96 Q97 T103P74-V99 HydrophobicContact CG-CG1 3.72Å; C77-V99 HydrophobicContact CB-CG1 4.44Å; E96-V99 WeakPolarHBondContact O-CA 3.47Å; E96-V99 WeakPolarHBondContact O-CB 3.44Å; E96-V99 PolarHBondContact O-N 3.42Å; Q97-V99 VanDerWaalsContact C-N 3.33Å; Q97-V99 PolarHBondContact O-N 3.06Å; V99-T103 WeakPolarHBondContact O-CB 3.34Å; V99-T103 PolarHBondContact O-N 2.88Å; V99-T103 PolarHBondContact O-OG1 3.41Å
100V87.1Confident85.1Confident0 Ų048.2 Ų48.20%027%0.271CS..Hα-helixtrans-66-44.3172.4-178.90000110.6C77 I81 L90 M92 E96 T103 A104C77-V100 VanDerWaalsContact SG-CA 3.59Å; I81-V100 HydrophobicContact CD1-CG1 4.32Å; I81-V100 HydrophobicContact CG1-CG1 4.16Å; L90-V100 HydrophobicContact CD1-CG1 4.29Å; L90-V100 HydrophobicContact CD2-CG1 4.09Å; M92-V100 HydrophobicContact CB-CG2 4.12Å; M92-V100 HydrophobicContact CE-CB 4.15Å; M92-V100 HydrophobicContact CE-CG1 3.68Å; M92-V100 HydrophobicContact SD-CB 4.02Å; M92-V100 HydrophobicContact SD-CG1 4.22Å; M92-V100 HydrophobicContact SD-CG2 4.35Å; E96-V100 HydrophobicContact CB-CG2 4.21Å; E96-V100 PolarHBondContact O-N 2.93Å; V100-T103 PolarHBondContact O-N 3.45Å; V100-A104 VanDerWaalsContact O-CB 3.27Å; V100-A104 WeakPolarHBondContact O-CB 3.18Å; V100-A104 PolarHBondContact O-N 2.59Å
101M84.6Confident84.7Confident18 Ų1852 Ų529%0.08929%0.287CS..Hα-helixtrans-66.7-37.6176.7-72.7-60.4-6900113.2Q97 G105 I112 M120Q97-M101 VanDerWaalsContact O-CB 3.29Å; Q97-M101 WeakPolarHBondContact O-CB 3.39Å; Q97-M101 VanDerWaalsContact O-CG 3.22Å; Q97-M101 WeakPolarHBondContact O-CG 3.35Å; Q97-M101 PolarHBondContact O-N 3.48Å; M101-G105 PolarHBondContact O-N 3.03Å; M101-I112 HydrophobicContact SD-CG2 3.87Å; M101-M120 HydrophobicContact CB-CE 3.82Å; M101-M120 HydrophobicContact CG-CE 3.77Å; M101-M120 HydrophobicContact CG-SD 4.48Å
102Y84.6Confident84.5Confident53 Ų5346.6 Ų46.621%0.20825%0.253CS..Hα-helixtrans-57.8-50.3169.8171.8-106.7000111.7S72 L98 G105 F106 I454 L458S72-Y102 PolarHBondContact OG-OH 3.44Å; L98-Y102 VanDerWaalsContact O-CB 3.29Å; L98-Y102 WeakPolarHBondContact O-CB 3.46Å; L98-Y102 PolarHBondContact O-N 3.37Å; Y102-G105 PolarHBondContact O-N 3.44Å; Y102-F106 PolarHBondContact O-N 3.26Å; Y102-I454 HydrophobicContact CD2-CG2 3.37Å; Y102-I454 HydrophobicContact CE2-CG2 3.5Å; Y102-L458 HydrophobicContact CD2-CD1 3.97Å; Y102-L458 HydrophobicContact CE2-CD1 4.03Å
103T87.9Confident84.1Confident0 Ų044.9 Ų44.90%025%0.246CC..Hα-helixtrans-72.1-44.1-173.1-55.30000111.7V73 C77 I81 V99 V100 G105 F106 L107V73-T103 HydrophobicContact CB-CG2 4.43Å; V73-T103 HydrophobicContact CG1-CG2 3.57Å; V73-T103 HydrophobicContact CG2-CG2 4.07Å; C77-T103 WeakPolarHBondContact SG-CB 3.46Å; C77-T103 PolarHBondContact SG-OG1 3.46Å; I81-T103 HydrophobicContact CD1-CG2 3.49Å; I81-T103 VanDerWaalsContact CD1-CG2 3.49Å; V99-T103 WeakPolarHBondContact O-CB 3.34Å; V99-T103 PolarHBondContact O-N 2.88Å; V99-T103 PolarHBondContact O-OG1 3.41Å; V100-T103 PolarHBondContact O-N 3.45Å; T103-G105 PolarHBondContact O-N 3.17Å; T103-F106 PolarHBondContact O-N 3.35Å; T103-L107 HydrophobicContact CG2-CD1 4.11Å; T103-L107 WeakPolarHBondContact O-CB 3.42Å; T103-L107 WeakPolarHBondContact O-CG 3.4Å; T103-L107 PolarHBondContact O-N 3.17Å
104A88.6Confident83.8Confident0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-63.1-31172.900000111.8I81 V100 L107 Q108 I109 I112I81-A104 HydrophobicContact CD1-CB 4Å; I81-A104 HydrophobicContact CG1-CB 4.43Å; V100-A104 VanDerWaalsContact O-CB 3.27Å; V100-A104 WeakPolarHBondContact O-CB 3.18Å; V100-A104 PolarHBondContact O-N 2.59Å; A104-L107 CarbonylContact O-C 3.54Å; A104-Q108 PolarHBondContact O-N 3.29Å; A104-Q108 VanDerWaalsContact O-N 3.08Å; A104-I109 PolarHBondContact O-N 3.08Å; A104-I112 HydrophobicContact CB-CB 3.82Å; A104-I112 HydrophobicContact CB-CD1 3.8Å; A104-I112 HydrophobicContact CB-CG1 4.42Å; A104-I112 HydrophobicContact CB-CG2 3.5Å; A104-I112 VanDerWaalsContact CB-CG2 3.5Å
105G84.8Confident83.6Confident1 Ų150.1 Ų50.11%0.0124%0.243CC..Hα-helixtrans-67.4-50171.900000113.2M101 Y102 T103 L107 Q108 W450M101-G105 PolarHBondContact O-N 3.03Å; Y102-G105 PolarHBondContact O-N 3.44Å; T103-G105 PolarHBondContact O-N 3.17Å; G105-L107 VanDerWaalsContact C-N 3.3Å; G105-L107 PolarHBondContact O-N 3.06Å; G105-Q108 WeakPolarHBondContact O-CA 3.43Å; G105-Q108 PolarHBondContact O-N 2.93Å; G105-W450 VanDerWaalsContact C-CH2 3.49Å; G105-W450 VanDerWaalsContact CA-CZ2 3.47Å; G105-W450 VanDerWaalsContact O-CH2 3.24Å; G105-W450 WeakPolarHBondContact O-CH2 3.31Å
106F87.6Confident83Confident66 Ų6645.4 Ų45.429%0.28921%0.211SC..Hα-helixtrans-56.3-43.8173.9169.5-101.6000111.9Y54 P70 V73 Y102 T103 Q108Y54-F106 HydrophobicContact CE1-CE1 4.44Å; Y54-F106 HydrophobicContact CE2-CE1 4.37Å; Y54-F106 AromaticContact CE2-CZ 3.95Å; Y54-F106 HydrophobicContact CE2-CZ 3.95Å; P70-F106 HydrophobicContact CG-CE1 4.28Å; P70-F106 HydrophobicContact CG-CE2 4.25Å; P70-F106 HydrophobicContact CG-CZ 3.67Å; V73-F106 HydrophobicContact CG2-CD1 4.39Å; Y102-F106 PolarHBondContact O-N 3.26Å; T103-F106 PolarHBondContact O-N 3.35Å; F106-Q108 PolarHBondContact O-N 2.95Å
107L90.7Very high82.1Confident0 Ų045 Ų450%021%0.213CC..THydrogen-bonded Turntrans-76.80.8175.7-62.4175.1000113.7S52 Y54 F55 L69 F78 I81 T103 A104 G105 I109S52-L107 WeakPolarHBondContact CB-O 3.23Å; S52-L107 PolarHBondContact OG-O 3.3Å; Y54-L107 WeakPolarHBondContact CB-O 3.48Å; Y54-L107 HydrophobicContact CD1-CD2 3.53Å; Y54-L107 HydrophobicContact CE1-CD2 3.88Å; Y54-L107 HydrophobicContact CG-CD2 4.26Å; F55-L107 HydrophobicContact CE2-CD1 4.25Å; F55-L107 HydrophobicContact CE2-CD2 3.85Å; F55-L107 HydrophobicContact CZ-CD2 3.82Å; L69-L107 HydrophobicContact CD1-CD2 4.22Å; L69-L107 HydrophobicContact CD2-CD2 4.26Å; F78-L107 HydrophobicContact CD2-CD1 3.9Å; F78-L107 HydrophobicContact CE2-CD1 3.88Å; I81-L107 HydrophobicContact CG2-CD1 4.05Å; T103-L107 HydrophobicContact CG2-CD1 4.11Å; T103-L107 WeakPolarHBondContact O-CB 3.42Å; T103-L107 WeakPolarHBondContact O-CG 3.4Å; T103-L107 PolarHBondContact O-N 3.17Å; A104-L107 CarbonylContact O-C 3.54Å; G105-L107 VanDerWaalsContact C-N 3.3Å; G105-L107 PolarHBondContact O-N 3.06Å; L107-I109 VanDerWaalsContact C-N 3.32Å; L107-I109 HydrophobicContact CB-CD1 3.92Å; L107-I109 HydrophobicContact CB-CG1 4.01Å; L107-I109 HydrophobicContact CD1-CD1 4.33Å; L107-I109 PolarHBondContact O-N 3.3Å
108Q88.3Confident81.4Confident74 Ų7448 Ų4835%0.34623%0.23SC..THydrogen-bonded Turntrans51.845.2177.9-56.9-177.957.700113.5L53 A104 G105 F106 Q110L53-Q108 HydrophobicContact CB-CB 3.82Å; L53-Q108 HydrophobicContact CD1-CB 4.34Å; L53-Q108 HydrophobicContact CG-CB 4.21Å; L53-Q108 PolarHBondContact N-O 2.74Å; A104-Q108 PolarHBondContact O-N 3.29Å; A104-Q108 VanDerWaalsContact O-N 3.08Å; G105-Q108 WeakPolarHBondContact O-CA 3.43Å; G105-Q108 PolarHBondContact O-N 2.93Å; F106-Q108 PolarHBondContact O-N 2.95Å; Q108-Q110 PolarHBondContact O-N 3.26Å
109I90.4Very high80.3Confident2 Ų247.7 Ų47.71%0.0123%0.229CC..  trans-9086.5178.7-59.7171.9000108.3I81 F84 A104 L107 H111 I112 V113I81-I109 HydrophobicContact CG2-CD1 3.22Å; F84-I109 HydrophobicContact CD1-CG2 4.23Å; F84-I109 HydrophobicContact CE1-CG2 3.86Å; A104-I109 PolarHBondContact O-N 3.08Å; L107-I109 VanDerWaalsContact C-N 3.32Å; L107-I109 HydrophobicContact CB-CD1 3.92Å; L107-I109 HydrophobicContact CB-CG1 4.01Å; L107-I109 HydrophobicContact CD1-CD1 4.33Å; L107-I109 PolarHBondContact O-N 3.3Å; I109-H111 VanDerWaalsContact C-N 3.3Å; I109-H111 PolarHBondContact O-N 3.45Å; I109-H111 VanDerWaalsContact O-N 3.17Å; I109-I112 HydrophobicContact CB-CD1 4.19Å; I109-I112 HydrophobicContact CB-CG1 4.47Å; I109-I112 HydrophobicContact CD1-CD1 4.38Å; I109-I112 HydrophobicContact CG2-CB 4.26Å; I109-I112 HydrophobicContact CG2-CD1 3.64Å; I109-I112 HydrophobicContact CG2-CG1 3.71Å; I109-I112 PolarHBondContact O-N 3.39Å; I109-V113 PolarHBondContact O-N 2.91Å
110Q81.4Confident79Confident70 Ų7047.3 Ų47.333%0.32722%0.224SC..Hα-helixtrans-52-43.4-166.2-171.462.324.200113.4Q108 I112 V113 E114Q108-Q110 PolarHBondContact O-N 3.26Å; Q110-I112 PolarHBondContact O-N 3.2Å; Q110-V113 PolarHBondContact O-N 3.42Å; Q110-E114 HydrophobicContact CG-CG 4.43Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.5Å; Q110-E114 PolarHBondContact NE2-OE1 2.98Å; Q110-E114 WeakPolarHBondContact O-CG 3.4Å; Q110-E114 PolarHBondContact O-N 3.35Å
111H80.6Confident77.6Confident127 Ų12754.7 Ų54.759%0.58826%0.256SS*.Hα-helixtrans-65.1-34.2-179.1-64.6-46.4000114.3F84 I109 R115F84-H111 HydrophobicContact CZ-CB 4.06Å; I109-H111 VanDerWaalsContact C-N 3.3Å; I109-H111 PolarHBondContact O-N 3.45Å; I109-H111 VanDerWaalsContact O-N 3.17Å; H111-R115 WeakPolarHBondContact O-CB 3.49Å; H111-R115 WeakPolarHBondContact O-CG 3.34Å; H111-R115 PolarHBondContact O-N 3.26Å
112I81.6Confident76Confident7 Ų762.2 Ų62.24%0.03629%0.288CS..Hα-helixtrans-70.5-45.4173.1-60.6175.1000109.3I81 F84 L90 M101 A104 I109 Q110 E114 R115 G116I81-I112 HydrophobicContact CG1-CD1 4.29Å; I81-I112 HydrophobicContact CG2-CD1 4.44Å; F84-I112 HydrophobicContact CB-CD1 4.37Å; F84-I112 HydrophobicContact CD1-CD1 3.55Å; F84-I112 HydrophobicContact CD1-CG1 3.69Å; F84-I112 HydrophobicContact CD2-CG1 4.32Å; F84-I112 HydrophobicContact CE1-CD1 3.96Å; F84-I112 HydrophobicContact CE1-CG1 3.59Å; F84-I112 HydrophobicContact CE2-CG1 4.23Å; F84-I112 HydrophobicContact CG-CD1 3.92Å; F84-I112 HydrophobicContact CG-CG1 4.07Å; F84-I112 HydrophobicContact CZ-CG1 3.86Å; L90-I112 HydrophobicContact CD2-CB 4.42Å; L90-I112 HydrophobicContact CD2-CD1 3.97Å; L90-I112 HydrophobicContact CD2-CG1 3.97Å; L90-I112 HydrophobicContact CD2-CG2 3.63Å; M101-I112 HydrophobicContact SD-CG2 3.87Å; A104-I112 HydrophobicContact CB-CB 3.82Å; A104-I112 HydrophobicContact CB-CD1 3.8Å; A104-I112 HydrophobicContact CB-CG1 4.42Å; A104-I112 HydrophobicContact CB-CG2 3.5Å; A104-I112 VanDerWaalsContact CB-CG2 3.5Å; I109-I112 HydrophobicContact CB-CD1 4.19Å; I109-I112 HydrophobicContact CB-CG1 4.47Å; I109-I112 HydrophobicContact CD1-CD1 4.38Å; I109-I112 HydrophobicContact CG2-CB 4.26Å; I109-I112 HydrophobicContact CG2-CD1 3.64Å; I109-I112 HydrophobicContact CG2-CG1 3.71Å; I109-I112 PolarHBondContact O-N 3.39Å; Q110-I112 PolarHBondContact O-N 3.2Å; I112-E114 VanDerWaalsContact C-N 3.32Å; I112-E114 PolarHBondContact O-N 3.38Å; I112-R115 PolarHBondContact O-N 2.84Å; I112-G116 WeakPolarHBondContact O-CA 3.34Å; I112-G116 PolarHBondContact O-N 2.83Å
113V74.8Confident74.4Confident17 Ų1764.6 Ų64.610%0.10331%0.308CS..Hα-helixtrans-60.1-42.4-177.4176.40000111.5I109 Q110 T117 W450I109-V113 PolarHBondContact O-N 2.91Å; Q110-V113 PolarHBondContact O-N 3.42Å; V113-T117 PolarHBondContact O-N 2.97Å; V113-T117 PolarHBondContact O-OG1 3.44Å; V113-W450 HydrophobicContact CB-CZ2 4.47Å; V113-W450 HydrophobicContact CG1-CH2 4.48Å; V113-W450 HydrophobicContact CG1-CZ2 3.66Å; V113-W450 HydrophobicContact CG2-CH2 4.27Å; V113-W450 HydrophobicContact CG2-CZ2 3.89Å
114E77.6Confident72.2Confident86 Ų8668.9 Ų68.940%0.40234%0.338SS..Hα-helixtrans-66.4-54.8177.5-71.4170.3167.800112.1Q110 I112 G116 T117Q110-E114 HydrophobicContact CG-CG 4.43Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.5Å; Q110-E114 PolarHBondContact NE2-OE1 2.98Å; Q110-E114 WeakPolarHBondContact O-CG 3.4Å; Q110-E114 PolarHBondContact O-N 3.35Å; I112-E114 VanDerWaalsContact C-N 3.32Å; I112-E114 PolarHBondContact O-N 3.38Å; E114-G116 PolarHBondContact O-N 2.97Å; E114-T117 PolarHBondContact O-N 3.44Å; E114-T117 PolarHBondContact O-OG1 3.33Å
115R75.1Confident69.7Low179 Ų17973.3 Ų73.368%0.67537%0.369SS*.Hα-helixtrans-70.1-31.8-176.3-65.1-55-164.6167.55.2113.5H111 I112 T117 D118 L119H111-R115 WeakPolarHBondContact O-CB 3.49Å; H111-R115 WeakPolarHBondContact O-CG 3.34Å; H111-R115 PolarHBondContact O-N 3.26Å; I112-R115 PolarHBondContact O-N 2.84Å; R115-T117 VanDerWaalsContact C-N 3.34Å; R115-D118 IonicContact NH1-OD2 3.79Å; R115-D118 WeakPolarHBondContact O-CB 3.27Å; R115-D118 PolarHBondContact O-N 3.29Å; R115-L119 PolarHBondContact O-N 3.27Å
116G67.1Low67.5Low6 Ų678.3 Ų78.36%0.06240%0.401CS..Hα-helixtrans-72.2-26.2177.600000113.5I112 E114 L119 M120I112-G116 WeakPolarHBondContact O-CA 3.34Å; I112-G116 PolarHBondContact O-N 2.83Å; E114-G116 PolarHBondContact O-N 2.97Å; G116-L119 PolarHBondContact O-N 2.86Å; G116-M120 WeakPolarHBondContact O-CG 3.46Å; G116-M120 PolarHBondContact O-N 3.48Å
117T63.7Low65.2Low55 Ų5582.7 Ų82.734%0.33742%0.422SS..Hα-helixtrans-66.1-39.5169.241.50000112.3V113 E114 R115 L119 M120 F121V113-T117 PolarHBondContact O-N 2.97Å; V113-T117 PolarHBondContact O-OG1 3.44Å; E114-T117 PolarHBondContact O-N 3.44Å; E114-T117 PolarHBondContact O-OG1 3.33Å; R115-T117 VanDerWaalsContact C-N 3.34Å; T117-L119 VanDerWaalsContact C-N 3.31Å; T117-L119 PolarHBondContact O-N 2.99Å; T117-M120 PolarHBondContact O-N 3.3Å; T117-F121 WeakPolarHBondContact O-CD2 3.29Å; T117-F121 PolarHBondContact O-N 3.47Å; T117-F121 VanDerWaalsContact O-N 3.13Å
118D65.2Low62.6Low88 Ų8887.5 Ų87.547%0.47146%0.455SS..Hα-helixtrans-58.9-44.1174.8-56.8-24.9000111.1R115 F121 K122R115-D118 IonicContact NH1-OD2 3.79Å; R115-D118 WeakPolarHBondContact O-CB 3.27Å; R115-D118 PolarHBondContact O-N 3.29Å; D118-F121 PolarHBondContact O-N 3.28Å; D118-K122 WeakPolarHBondContact O-CB 3.46Å; D118-K122 PolarHBondContact O-N 2.9Å; D118-K122 VanDerWaalsContact O-N 3.09Å
119L60.4Low60.2Low94 Ų9489.8 Ų89.849%0.49247%0.469SS..Hα-helixtrans-65.7-38.6177.1-67.4173.2000112.7R115 G116 T117 K122 V123R115-L119 PolarHBondContact O-N 3.27Å; G116-L119 PolarHBondContact O-N 2.86Å; T117-L119 VanDerWaalsContact C-N 3.31Å; T117-L119 PolarHBondContact O-N 2.99Å; L119-K122 PolarHBondContact O-N 3.22Å; L119-V123 WeakPolarHBondContact O-CG2 3.22Å; L119-V123 PolarHBondContact O-N 3.05Å
120M57.7Low57.7Low51 Ų5194.7 Ų94.725%0.25150%0.504SS..Hα-helixtrans-61.9-45176.4-78.2176.2157.700111.9Q97 L98 M101 G116 T117 V123 S124Q97-M120 HydrophobicContact CG-CE 4.49Å; L98-M120 HydrophobicContact CD2-CE 3.82Å; M101-M120 HydrophobicContact CB-CE 3.82Å; M101-M120 HydrophobicContact CG-CE 3.77Å; M101-M120 HydrophobicContact CG-SD 4.48Å; G116-M120 WeakPolarHBondContact O-CG 3.46Å; G116-M120 PolarHBondContact O-N 3.48Å; T117-M120 PolarHBondContact O-N 3.3Å; M120-V123 PolarHBondContact O-N 3.07Å; M120-S124 VanDerWaalsContact O-CB 3.27Å; M120-S124 WeakPolarHBondContact O-CB 3.29Å; M120-S124 PolarHBondContact O-N 3.48Å; M120-S124 VanDerWaalsContact O-N 3.07Å; M120-S124 PolarHBondContact O-OG 3.41Å
121F56.8Low55.5Low155 Ų155100.2 Ų100.268%0.6853%0.53SS*.Hα-helixtrans-64.2-40.4175.2-70.4-65.1000112T117 D118 V123 S124 S125T117-F121 WeakPolarHBondContact O-CD2 3.29Å; T117-F121 PolarHBondContact O-N 3.47Å; T117-F121 VanDerWaalsContact O-N 3.13Å; D118-F121 PolarHBondContact O-N 3.28Å; F121-V123 VanDerWaalsContact C-N 3.32Å; F121-V123 PolarHBondContact O-N 3.22Å; F121-S124 PolarHBondContact O-N 3.38Å; F121-S125 PolarHBondContact O-N 3.09Å
122K52.1Low53.2Low176 Ų176100.8 Ų100.877%0.76554%0.542SS*.Hα-helixtrans-68.8-25.4-178.5-166.7166.9-177.5175.40114.5D118 L119D118-K122 WeakPolarHBondContact O-CB 3.46Å; D118-K122 PolarHBondContact O-N 2.9Å; D118-K122 VanDerWaalsContact O-N 3.09Å; L119-K122 PolarHBondContact O-N 3.22Å
123V49.3Very low50.9Low103 Ų103104.8 Ų104.862%0.62458%0.577SS**Hα-helixtrans-90.3-20.7173.71770000112.2L119 M120 F121L119-V123 WeakPolarHBondContact O-CG2 3.22Å; L119-V123 PolarHBondContact O-N 3.05Å; M120-V123 PolarHBondContact O-N 3.07Å; F121-V123 VanDerWaalsContact C-N 3.32Å; F121-V123 PolarHBondContact O-N 3.22Å
124S42.9Very low49Very low90 Ų90110.9 Ų110.963%0.62961%0.614SS**SBendtrans-91.43.2-177.2-53.90000114.8M120 F121 P126M120-S124 VanDerWaalsContact O-CB 3.27Å; M120-S124 WeakPolarHBondContact O-CB 3.29Å; M120-S124 PolarHBondContact O-N 3.48Å; M120-S124 VanDerWaalsContact O-N 3.07Å; M120-S124 PolarHBondContact O-OG 3.41Å; F121-S124 PolarHBondContact O-N 3.38Å; S124-P126 VanDerWaalsContact O-CD 3.22Å; S124-P126 WeakPolarHBondContact O-CD 3.42Å
125S34.9Very low46.9Very low92 Ų92114.7 Ų114.764%0.64364%0.635SS**  trans-89.5106.8173-75.20000110.5F121F121-S125 PolarHBondContact O-N 3.09Å
126P40.1Very low44.8Very low107 Ų107115.2 Ų115.270%0.69565%0.645SS**  trans-63.2142.2162.928.9-34000109.6S124 C128S124-P126 VanDerWaalsContact O-CD 3.22Å; S124-P126 WeakPolarHBondContact O-CD 3.42Å; P126-C128 PolarHBondContact O-N 3.17Å; P126-C128 VanDerWaalsContact O-N 3.12Å
127H37.7Very low43.1Very low157 Ų157122 Ų12273%0.72768%0.68SS**  trans-74.198.6175-170.8-12.5000108.8D129H127-D129 IonicContact CE1-OD1 2.8Å; H127-D129 PolarHBondContact CE1-OD1 3.22Å; H127-D129 IonicContact CE1-OD2 3.83Å; H127-D129 IonicContact ND1-OD1 3.27Å; H127-D129 IonicContact ND1-OD2 2.99Å; H127-D129 IonicContact NE2-OD1 2.72Å; H127-D129 IonicContact NE2-OD2 3.79Å; H127-D129 PolarHBondContact O-N 2.67Å
128C36.7Very low41.5Very low101 Ų101123.8 Ų123.868%0.68270%0.7SS**  trans-80.893.8170.8-68.80000109.6P126 S130P126-C128 PolarHBondContact O-N 3.17Å; P126-C128 VanDerWaalsContact O-N 3.12Å; C128-S130 VanDerWaalsContact C-N 3.3Å; C128-S130 PolarHBondContact O-N 2.99Å
129D39.2Very low39.7Very low123 Ų123123.1 Ų123.166%0.65871%0.714SS**  trans-72.386.9163.4-81.2-40.4000109.9H127 Q131H127-D129 IonicContact CE1-OD1 2.8Å; H127-D129 PolarHBondContact CE1-OD1 3.22Å; H127-D129 IonicContact CE1-OD2 3.83Å; H127-D129 IonicContact ND1-OD1 3.27Å; H127-D129 IonicContact ND1-OD2 2.99Å; H127-D129 IonicContact NE2-OD1 2.72Å; H127-D129 IonicContact NE2-OD2 3.79Å; H127-D129 PolarHBondContact O-N 2.67Å; D129-Q131 PolarHBondContact O-N 2.71Å
130S36.9Very low38.3Very low105 Ų105124 Ų12473%0.73473%0.728SS**  trans-76.784.3173-65.30000110.7C128 T132C128-S130 VanDerWaalsContact C-N 3.3Å; C128-S130 PolarHBondContact O-N 2.99Å; S130-T132 PolarHBondContact O-N 3.35Å
131Q35.3Very low37Very low186 Ų186130.5 Ų130.587%0.86976%0.758SS**  trans-65.6118.7161.2-70.2-169.64.900109.4D129 A133D129-Q131 PolarHBondContact O-N 2.71Å; Q131-A133 PolarHBondContact O-N 3.28Å; Q131-A133 VanDerWaalsContact O-N 3.14Å
132T32.3Very low36.6Very low138 Ų138127.9 Ų127.985%0.84776%0.756SS**  trans-76.994.2175.148.60000110.3S130S130-T132 PolarHBondContact O-N 3.35Å
133A32.2Very low35.4Very low92 Ų92128.9 Ų128.976%0.7676%0.764SS**  trans-78.1140.4160.500000109.7Q131Q131-A133 PolarHBondContact O-N 3.28Å; Q131-A133 VanDerWaalsContact O-N 3.14Å
134V35.1Very low34.5Very low145 Ų145129.2 Ų129.288%0.87977%0.771SS**  trans-77.9159.9-179.6-700000112.3
135I33.4Very low34.4Very low166 Ų166130.7 Ų130.785%0.85178%0.778SS**  trans-107.9115.1-177.1-57.1169.3000109.8
136E33.1Very low34Very low190 Ų190131.4 Ų131.489%0.88878%0.782SS**  trans-161151157.2-84-173.2115.300107.2
137D30.1Very low33.4Very low147 Ų147132.3 Ų132.379%0.78678%0.781SS**  cis-157.6159-40.1-179.340.1000108.3
138A30.3Very low33Very low93 Ų93132.6 Ų132.677%0.76978%0.782SS**  trans59.4163.6167.400000119.3
139G27Very low32.7Very low74 Ų74135.9 Ų135.976%0.76379%0.793SS**  trans134.930.5162.100000120.9
140S30.7Very low32.3Very low113 Ų113138.6 Ų138.679%0.7980%0.801SS**  trans19123158-53.60000123
141E32.1Very low32.7Very low188 Ų188139.2 Ų139.288%0.87980%0.803SS**  trans75.7159.5136-73.7-142.675.200122
142P47.3Very low32.3Very low99 Ų99135 Ų13564%0.64380%0.8SS**  trans-122.1163-148.542.3-31.4000115.9
143Q26.9Very low32.2Very low197 Ų197132.9 Ų132.992%0.92180%0.796SS**  trans-165150.8143.5-111.8155.6-14.300114.2
144S29.8Very low32.1Very low111 Ų111133.4 Ų133.478%0.77680%0.801SS**  trans-120.6179.1166.7-37.30000108
145P41.2Very low31.9Very low120 Ų120131.7 Ų131.778%0.77980%0.802SS**  cis-138.5175.2-7.542.1-25.5000115.8
146C26.1Very low32Very low107 Ų107128 Ų12872%0.72380%0.796SS**  trans85.1143.3140-142.20000123.5
147N27.5Very low32.3Very low126 Ų126125 Ų12567%0.67479%0.793SS**  trans83.5117.5150.6-84.2-25.8000124.3
148Q29.6Very low32.3Very low163 Ų163128.7 Ų128.776%0.76280%0.797SS**  trans60.9117.7136-60.5-179.819.600121.2
149L30.8Very low32.3Very low171 Ų171130.3 Ų130.390%0.89580%0.798SS**  -168.8149.1104-97.1158.1000112.1
150Q31.6Very low32.5Very low180 Ų180133.4 Ų133.484%0.84180%0.801SS**  trans-112.8179.8170.1-78.8-170.9-13.500108.5
151P44.6Very low32.6Very low118 Ų118132.9 Ų132.977%0.76680%0.798SS**  cis-132.5172.9-1.341.2-26.3000115.6
152A27Very low32.8Very low97 Ų97129.7 Ų129.780%0.80279%0.793SS**  trans-171.8145.6137.400000114.5
153A29.7Very low32.1Very low94 Ų94130.6 Ų130.678%0.77780%0.802SS**  trans49.787.814700000122.4
154A30Very low32.5Very low103 Ų103127.9 Ų127.985%0.85180%0.798SS**  60.1154.1113.600000124.3
155A32Very low33.3Very low109 Ų109128 Ų12890%0.90180%0.797SS**  trans78.5142.5168.200000118.3
156A35.5Very low32.7Very low89 Ų89130.1 Ų130.174%0.73680%0.8SS**  trans-134.6158.5-17700000110.8
157P38.4Very low33.2Very low126 Ų126130.9 Ų130.982%0.81880%0.804SS**  trans-107.4148.5162.335.9-27.9000112.5
158Y30.6Very low33.3Very low224 Ų224132.8 Ų132.888%0.87881%0.813SS**  trans-98.1165.9172-98-99.1000112.3
159V31Very low33.4Very low128 Ų128132.6 Ų132.678%0.77682%0.816SS**  trans-68.2138.6-175-161.50000113.2
160V30.4Very low33.5Very low138 Ų138129 Ų12984%0.83680%0.802SS**  trans-144140.6156.5-164.30000110.1
161S31.8Very low33.6Very low103 Ų103130.8 Ų130.872%0.7280%0.8SS**  trans-104.9153.7172.5-50.10000111.7
162P36.4Very low32.8Very low120 Ų120131 Ų13178%0.77980%0.799SS**  trans-108.2139.6167.435.7-28000113.4
163S32.7Very low32.7Very low119 Ų119134.4 Ų134.483%0.83280%0.796SS**  trans-158.6114.5167.5-76.30000110.4
164V35.5Very low32.6Very low139 Ų139137.6 Ų137.684%0.84280%0.795SS**  trans-169.8164.5178.7-90.20000109.3
165P47Very low32.3Very low114 Ų114140.1 Ų140.174%0.7479%0.789SS**  cis-138.8175.3-39.839.5-23.6000113.3
166I28.2Very low32Very low164 Ų164138.6 Ų138.684%0.84178%0.776SS**  trans-134.1140.4156.4-66.3-174.3000107
167P37.2Very low31.5Very low124 Ų124142 Ų14281%0.80578%0.779SS**  trans-88.3163.2-154.233.4-37.3000117.2
168L29.5Very low30.8Very low165 Ų165144.1 Ų144.186%0.86478%0.778SS**  trans-97168.1174.1-69.7168.2000112.4
169L32.4Very low30.7Very low159 Ų159140.9 Ų140.983%0.83278%0.775SS**  trans165.2137.1140.1-88.5-164.8000108.4
170T32.3Very low31.6Very low97 Ų97140.2 Ų140.260%0.59577%0.773SS**  cis-164.9169.1-13-9.30000112
171R32.5Very low32.6Very low216 Ų216139.3 Ų139.382%0.81577%0.77SS**  trans75146.6145.3-83.7-166.4160.5830.6119.5
172V28.4Very low32.4Very low122 Ų122139.3 Ų139.374%0.73978%0.776SS**  cis-163.6164.8-19.891.10000113.5
173K24.7Very low32Very low169 Ų169137 Ų13774%0.73577%0.774SS**  trans71.9156.7166.4-114.4-160.4172.7-161.80119.5E175K173-E175 WeakPolarHBondContact CE-OE2 3.32Å; K173-E175 IonicContact NZ-OE2 3.19Å; K173-E175 PolarHBondContact NZ-OE2 2.72Å
174H28.1Very low32.5Very low162 Ų162137.6 Ų137.675%0.7578%0.775SS**  trans-153.5143-176.8173.9-78.3000106.6
175E22.9Very low32Very low155 Ų155134.3 Ų134.372%0.72477%0.77SS**  trans-155.3160.7166-119.2159.3129.400109K173K173-E175 WeakPolarHBondContact CE-OE2 3.32Å; K173-E175 IonicContact NZ-OE2 3.19Å; K173-E175 PolarHBondContact NZ-OE2 2.72Å
176A27Very low31.2Very low77 Ų77137.6 Ų137.664%0.63678%0.78SS**  trans-143.5158-166.500000111.6
177M24.2Very low31.2Very low161 Ų161133.9 Ų133.979%0.79377%0.774SS**  trans-171.4148.1137.7-136.262.9153.400113.4
178E23.7Very low31.8Very low170 Ų170133.1 Ų133.179%0.79477%0.769SS**  trans19.5157.4151.2-73.4175.496.900127
179L29Very low31.6Very low157 Ų157134.4 Ų134.482%0.82277%0.767SS**  trans-109.7-171.5166.4-86.6163.6000108.2
180P49.1Very low31.4Very low114 Ų114138.1 Ų138.174%0.7477%0.77SS**  cis-123.2-135.3-19.532.2-7.5000108.1
181P52.6Low31.9Very low118 Ų118138.9 Ų138.977%0.76678%0.777SS**  cis-133.8-173.5-21.440.3-21.7000116.4
182A26.4Very low31.5Very low103 Ų103136.1 Ų136.185%0.85178%0.778SS**  trans108.3139.715500000118.7
183G27.6Very low31.4Very low72 Ų72138 Ų13874%0.74278%0.778SS**  trans-111-145.3169.100000110.9
184P43.6Very low31.5Very low131 Ų131136.6 Ų136.685%0.85178%0.784SS**  cis-140.7167.916.242.4-24.7000117.9
185G25.3Very low31.4Very low70 Ų70132.1 Ų132.172%0.72278%0.781SS**  trans77.2124132.900000121.8
186L29.7Very low32.1Very low184 Ų184130.5 Ų130.596%0.96378%0.784SS**  177.2160.3110-93.2168.6000113
187A29.6Very low32.2Very low85 Ų85136.9 Ų136.970%0.70279%0.792SS**  trans-153.3-169.1176.700000107.3
188P48.3Very low32.3Very low108 Ų108136.1 Ų136.170%0.70179%0.791SS**  cis-135.2-163.2-6.338.8-18.2000113
189K26.2Very low32.4Very low192 Ų192131 Ų13184%0.83578%0.784SS**  170.7141.4121.7-80.1-110.9-178.9173.60114.9
190R29.2Very low32.3Very low238 Ų238130.1 Ų130.190%0.89879%0.785SS**  trans-152.2-174.1159-77-170.4175.4164-2.1104.9
191P41Very low31.2Very low113 Ų113129.1 Ų129.173%0.73479%0.787SS**  cis-139.3-162.20.939.8-17.6000115.4
192L25.8Very low30Very low158 Ų158129.9 Ų129.983%0.82779%0.789SS**  trans104.3169.2143.3-133.359.9000120.2
193E25.2Very low30.1Very low161 Ų161129.1 Ų129.175%0.75278%0.782SS**  trans-111.7-174.4-145.9-61.2-173.889.100116
194T26.7Very low30.2Very low140 Ų140130.8 Ų130.886%0.85979%0.789SS**  trans101.8135.9155.369.80000118.3
195G25.7Very low29.3Very low67 Ų67128 Ų12869%0.69178%0.784SS**  trans-98.4-169.7157.200000110.3
196P39.4Very low29.6Very low121 Ų121128.8 Ų128.879%0.78678%0.784SS**  cis-151.7-178.449.441.7-21.5000117.7
197R28.5Very low29.8Very low212 Ų212123 Ų12380%0.876%0.762SS**  trans70.9142.5141.3-95.4-174.3153.2146.93123.9
198D25.5Very low29.9Very low144 Ų144124.3 Ų124.377%0.7776%0.761SS**  trans56.9147.3147.2-48.2-26000120.1
199G25.5Very low29.3Very low64 Ų64122 Ų12266%0.6675%0.751SS**  cis164.1172.7-5.600000112.8
200V28.1Very low29.6Very low137 Ų137117.9 Ų117.983%0.8375%0.753SS**  trans71.7119.9171.4-1680000114.5V202V200-V202 HydrophobicContact CG1-CG2 4.4Å
201A26.5Very low29.6Very low94 Ų94110.5 Ų110.578%0.77775%0.751SS**  76.5161.851.900000113.3
202V27.1Very low29.4Very low134 Ų134110.2 Ų110.281%0.81276%0.758SS**  cis-157.9161.723.5177.60000107.5V200V200-V202 HydrophobicContact CG1-CG2 4.4Å
203A28.6Very low29.9Very low87 Ų87107 Ų10772%0.71976%0.755SS**  cis-175.3-172.1-38.600000109.3
204A28.5Very low30.9Very low107 Ų107105 Ų10588%0.88476%0.756SS**  trans78.2148.6165.700000120.4
205G26.2Very low31Very low71 Ų71107 Ų10773%0.73276%0.76SS**  cis158.9170.5-12.900000116.5
206A31.4Very low31.2Very low88 Ų88113.2 Ų113.273%0.72777%0.768SS**  trans73.6153.2163.600000119.3V515A206-V515 CarbonylContact C-O 3.6Å; A206-V515 WeakPolarHBondContact CA-O 3.27Å
207A33.6Very low30.9Very low62 Ų62115.4 Ų115.451%0.51277%0.772SS.*  cis-167.9169.8-15.700000111.8V515A207-V515 WeakPolarHBondContact CA-O 3.4Å
208V32.2Very low31.4Very low112 Ų112111.4 Ų111.468%0.67977%0.774SS**  trans145.4-131.2169.6171.20000113V515 D516V208-V515 VanDerWaalsContact C-CG1 3.5Å; V208-V515 WeakPolarHBondContact O-CG1 3.21Å; V208-D516 VanDerWaalsContact C-OD1 3.32Å; V208-D516 WeakPolarHBondContact CA-OD1 3.5Å; V208-D516 HydrophobicContact CB-CB 4.18Å; V208-D516 WeakPolarHBondContact CB-OD1 3.48Å; V208-D516 WeakPolarHBondContact CG1-OD1 3.32Å
209A35.1Very low31.5Very low60 Ų60116 Ų11650%0.49678%0.78SS.*  trans-171.7168.2-161.700000113D516A209-D516 PolarHBondContact N-OD1 2.96Å; A209-D516 PolarHBondContact N-OD2 3.39Å
210A32.7Very low31.6Very low105 Ų105119.8 Ų119.887%0.86879%0.791SS**  cis-163.3166.417.200000113.7
211G28.8Very low31.4Very low83 Ų83118 Ų11886%0.85678%0.784SS**  trans142.4121.3156.200000117.8
212A36.3Very low31.4Very low107 Ų107122.9 Ų122.988%0.88478%0.784SS**  trans-151.9171.8173.500000109.9
213A37.4Very low31.4Very low92 Ų92127 Ų12776%0.7679%0.786SS**  cis-156.8171.114.500000112.4
214P45.1Very low31.2Very low119 Ų119125.6 Ų125.677%0.77378%0.781SS**  trans-109.4168.7176.440.2-33.3000115.1
215L29.1Very low31.2Very low182 Ų182127.6 Ų127.695%0.95378%0.781SS**  trans-141.6169.8171.8-81-177.3000114.6
216K29.7Very low31.8Very low196 Ų196130.1 Ų130.185%0.85279%0.785SS**  trans-118.7168.5-172.3-72.3-179.2176.8176.80113.7
217L33.8Very low31.7Very low167 Ų167131.4 Ų131.487%0.87479%0.789SS**  trans-19.9146.3156.3-73.5158.5000117.6
218P37.9Very low31.6Very low129 Ų129136 Ų13684%0.83880%0.804SS**  trans-128.9171.8139.938.6-28.5000114.7
219R28.8Very low31.4Very low239 Ų239135.1 Ų135.190%0.90281%0.808SS**  trans-131.4141.9173150.1-171.9167.6140-0.1107.4
220V26.3Very low31.3Very low145 Ų145137.8 Ų137.888%0.87982%0.818SS**  trans-169.5172.9153.5127.40000110.6
221S25.1Very low31.4Very low99 Ų99140.6 Ų140.669%0.69282%0.818SS**  trans-143.3175.1-179-175.70000111
222Y25.2Very low31.6Very low197 Ų197144.2 Ų144.277%0.77382%0.816SS**  trans94.5145.8166.8-100-94000121.5
223Y27.7Very low32.1Very low219 Ų219145.3 Ų145.386%0.85981%0.814SS**  trans64140.1179.4-60.5-83.6000117.2
224G24.1Very low31.7Very low58 Ų58144.4 Ų144.460%0.59881%0.814SS**  cis152.2131.9-1000000113.4
225V29.1Very low31.2Very low149 Ų149146.3 Ų146.390%0.90382%0.816SS**  trans57.9166170.9-86.10000117.3
226P38.6Very low31.2Very low125 Ų125144.8 Ų144.881%0.81280%0.804SS**  cis-116.7170.42.441-28.5000116.2
227S30.1Very low31Very low114 Ų114143.8 Ų143.880%0.79780%0.802SS**  trans-102.1152.6162.8-177.60000109.5
228L29.6Very low30.6Very low159 Ų159143.3 Ų143.383%0.83280%0.797SS**  trans-123.5132.3174.4-167.681000110.1
229A29.8Very low30.8Very low93 Ų93142.6 Ų142.677%0.76979%0.793SS**  trans-134.6150.5170.400000110.3
230T31.2Very low30.6Very low116 Ų116140.6 Ų140.671%0.71279%0.786SS**  trans-163.9138.4175.4-10.90000105.4
231L35.3Very low31.6Very low165 Ų165138.3 Ų138.386%0.86478%0.775SS**  cis-130.2-178.321.9-78.1150.2000113.2
232I33.2Very low31.7Very low159 Ų159142.9 Ų142.982%0.81579%0.785SS**  trans-135.3142.9-169.8-75.4173.3000106
233P47.5Very low31.9Very low130 Ų130137 Ų13784%0.84478%0.784SS**  -152.4162.769.540.2-19.1000120
234G28.3Very low31.9Very low73 Ų73134 Ų13475%0.75378%0.778SS**  trans169.674168.800000117.7
235I34.8Very low32.3Very low158 Ų158140.5 Ų140.581%0.8179%0.785SS**  trans10.3131.2143.8-65.9165.6000117
236Q28.7Very low32.4Very low151 Ų151139.4 Ų139.471%0.70678%0.778SS**  cis-167.5143.943-148151.66.300116.4
237Q26.5Very low32.4Very low175 Ų175138.9 Ų138.982%0.81878%0.778SS**  trans61172.5143.9-72.4170.53.200124.9
238M24.1Very low33.4Very low156 Ų156140 Ų14077%0.76878%0.782SS**  trans-150.9177.7-162.2-108.7-93-167.400108Y240M238-Y240 HydrophobicContact CE-CD2 4.48Å; M238-Y240 HydrophobicContact CE-CE2 4.33Å; M238-Y240 HydrophobicContact SD-CD2 4.15Å
239P42.6Very low33.4Very low114 Ų114135.8 Ų135.874%0.7478%0.777SS**  cis-139.1-174.22.237.2-14.1000118.3
240Y25Very low33.4Very low197 Ų197136.1 Ų136.177%0.77378%0.78SS**  trans-32.9178.9156.9-81.5-93.2000120M238M238-Y240 HydrophobicContact CE-CD2 4.48Å; M238-Y240 HydrophobicContact CE-CE2 4.33Å; M238-Y240 HydrophobicContact SD-CD2 4.15Å
241P46.6Very low33.7Very low98 Ų98135.8 Ų135.864%0.63678%0.783SS**  cis-144.3176.110.140.3-19.2000120.8
242Q28.7Very low33.7Very low195 Ų195133 Ų13391%0.91178%0.777SS**  trans65.4153139.2-82.3174.5-58.500126.6
243G28.2Very low33.8Very low72 Ų72133.3 Ų133.374%0.74278%0.779SS**  trans123101.1165.500000113.6
244E28.5Very low34Very low158 Ų158132.6 Ų132.674%0.73878%0.775SS**  84.9121.967.1-91.2-145.2120.100118.4
245R32.2Very low34.2Very low194 Ų194135.4 Ų135.473%0.73278%0.777SS**  trans77.7130.7141.5-72.2-175.6-177.2-103.2-8.3125.3
246T30.4Very low34.3Very low125 Ų125133.9 Ų133.977%0.76778%0.776SS**  trans71.3140.2137.151.60000123.1
247S39.9Very low34.3Very low115 Ų115134.2 Ų134.280%0.80478%0.782SS**  trans-103.4161.3166.6-45.50000111.5
248P50Low34.9Very low136 Ų136130.5 Ų130.588%0.88378%0.775SS**  trans-134.5-171.313137.4-25.4000112.8
249G29.7Very low36.2Very low71 Ų71128.5 Ų128.573%0.73277%0.774SS**  trans-144.5-148.5-175.500000114.8
250A30.2Very low35.6Very low101 Ų101130 Ų13084%0.83578%0.782SS**  trans82.9121.8-164.700000113.2
251S37.3Very low36Very low109 Ų109125.4 Ų125.476%0.76278%0.778SS**  72.7126.475.1-160.60000112.1
252S34.7Very low35.4Very low106 Ų106131.3 Ų131.374%0.74179%0.789SS**  -163.2179.452.1-53.40000114.2
253L36.4Very low35.6Very low166 Ų166128.2 Ų128.287%0.86977%0.774SS**  trans-103.5-173.9168.8-61.3172.7000110.1
254P52.3Low35.9Very low115 Ų115132.3 Ų132.375%0.74778%0.779SS**  cis-137.6176-3.943.4-27.2000116.7
255T30.7Very low36.2Very low132 Ų132131.9 Ų131.981%0.8178%0.777SS**  trans-162.8120.7149.1140000115.8
256T37Very low36.2Very low126 Ų126131 Ų13177%0.77378%0.781SS**  trans34.9118.5135.159.60000125.4
257D30.3Very low36.5Very low158 Ų158133.1 Ų133.185%0.84579%0.788SS**  trans72.1178.7131.1-141.4-0.8000122.5
258S38Very low36.7Very low96 Ų96136.5 Ų136.567%0.67179%0.791SS**  trans-139.4-169.7-146.2-23.10000111.6
259P51.8Low35.9Very low115 Ų115139.1 Ų139.175%0.74779%0.792SS**  cis-123.8-177.4-39.239.3-25.8000111.2
260T29.4Very low36.2Very low146 Ų146142.2 Ų142.290%0.89679%0.792SS**  trans-156.8150.9155.6-15.50000113.3
261S34.7Very low36.5Very low99 Ų99145.4 Ų145.469%0.69280%0.795SS**  trans-99156.5169.61750000109.7
262Y32.7Very low36.6Very low223 Ų223148.3 Ų148.388%0.87580%0.796SS**  -154.5147.9129.1-117.7-75.3000112.8
263H33.4Very low36.7Very low129 Ų129147.3 Ų147.360%0.59779%0.794SS**  trans-67.6155.3164.1-138.3-74.1000109.3E265H263-E265 HydrophobicContact CB-CG 4.29Å; H263-E265 IonicContact CD2-OE1 3.91Å; H263-E265 IonicContact CG-OE1 3.64Å; H263-E265 WeakPolarHBondContact ND1-CG 3.36Å; H263-E265 IonicContact ND1-OE1 3.9Å
264N35.4Very low36.4Very low159 Ų159149.2 Ų149.285%0.8579%0.791SS**  trans-112.5136.3146.6-88.48.1000106.7
265E34.8Very low35.3Very low149 Ų149148.9 Ų148.970%0.69678%0.783SS**  trans-111.9176.5-178.4-72.8168.1-160.400109.7H263H263-E265 HydrophobicContact CB-CG 4.29Å; H263-E265 IonicContact CD2-OE1 3.91Å; H263-E265 IonicContact CG-OE1 3.64Å; H263-E265 WeakPolarHBondContact ND1-CG 3.36Å; H263-E265 IonicContact ND1-OE1 3.9Å
266E32Very low35.3Very low174 Ų174146.8 Ų146.881%0.81377%0.77SS**  trans-60.5159.4179.1-65.8149.6151.800112.7
267D36.5Very low35Very low171 Ų171148.2 Ų148.291%0.91477%0.77SS**  trans-133.9139.5159.1-97.4-44000105.7
268E42.9Very low35.1Very low186 Ų186147 Ų14787%0.86977%0.768SS**  trans-109.8-148.3-163.8-60.2177.3103.900113
269E34.3Very low34.7Very low190 Ų190150.9 Ų150.989%0.88878%0.776SS**  trans77.893.8-174.6-57.1-167.1152.200114.4
270D35.1Very low33.7Very low137 Ų137152.7 Ų152.773%0.73377%0.774SS**  cis91.1133.534.3-163.231.2000114.5
271D37Very low33.6Very low168 Ų168152.5 Ų152.590%0.89876%0.763SS**  trans-172.9118.5167.3-131.2-15.4000107.7
272E38.7Very low33.3Very low170 Ų170158.2 Ų158.279%0.79477%0.771SS**  trans-119.7161.1-156.8-153.2-175-151.800114.6
273A38.4Very low33.1Very low85 Ų85150.6 Ų150.670%0.70276%0.76SS**  trans72162.2165.600000117.2
274Y29.4Very low32.8Very low205 Ų205152.9 Ų152.980%0.80477%0.771SS**  cis-151.6141.86.2-160.1-136.8000113.6
275D29.6Very low32.4Very low108 Ų108152.5 Ų152.558%0.57877%0.766SS**  trans58.6122.7146-108.1-2.7000127
276T31Very low32.2Very low88 Ų88154.5 Ų154.554%0.5477%0.769SS.*  75.5108.1113.6-75.80000124.9
277M29.9Very low32.1Very low157 Ų157154.5 Ų154.577%0.77377%0.773SS**  47.1128.1128.4-44.5-176.8-121.400123.3
278V31.4Very low31.7Very low131 Ų131154.9 Ų154.979%0.79477%0.766SS**  trans68.4128.4150.6178.20000114.7
279E30.5Very low31.1Very low178 Ų178150.8 Ų150.883%0.83276%0.764SS**  -162.4-179.656.5-150.5161.7-167.800114.8
280E31.2Very low30.9Very low154 Ų154147.2 Ų147.272%0.7276%0.76SS**  trans-26.1145.9175.8-82-150.7149.500126
281Q26.9Very low30.5Very low141 Ų141143.9 Ų143.966%0.65976%0.758SS**  73.7151.8123.6-156.180.7-79.500122.1
282Y28.5Very low30.1Very low219 Ų219141.1 Ų141.186%0.85975%0.752SS**  trans69.6140.6179.7-68.1-91.6000116.4
283G28.2Very low29.7Very low63 Ų63143.9 Ų143.965%0.64976%0.757SS**  cis-164.8130.8-3.400000115
284Q26.4Very low29.3Very low178 Ų178143.9 Ų143.983%0.83276%0.756SS**  trans21.3146134.6-72.9177.1-13.400122.8
285M27.4Very low29.2Very low151 Ų151140.4 Ų140.474%0.74476%0.756SS**  trans73.692.6146.5-63.9-99.5-74.900119.4
286Y30.4Very low29.1Very low190 Ų190143.7 Ų143.775%0.74577%0.768SS**  176.5136.8100.4-113.7-89.1000112.6
287I30.9Very low29Very low175 Ų175147.4 Ų147.490%0.89778%0.779SS**  trans-164.5132.2132.5-101.4158000106.7
288K27.4Very low29Very low178 Ų178147.4 Ų147.477%0.77478%0.775SS**  trans-145.1112-176.6-172.8179.1-177.8-179.70109.4
289A29.8Very low28.9Very low100 Ų100146.9 Ų146.983%0.82677%0.774SS**  trans-136.3139.9171.100000108.4
290S30.6Very low28.8Very low116 Ų116145.1 Ų145.181%0.81177%0.766SS**  trans-149.8137-164.354.70000113.5
291G26.8Very low29Very low66 Ų66143.7 Ų143.768%0.6877%0.77SS**  trans162.787176.900000109
292S29.8Very low29.1Very low110 Ų110143 Ų14377%0.76978%0.775SS**  66.412392.2-58.20000112.3
293Y29.3Very low29.3Very low229 Ų229138 Ų13890%0.89877%0.77SS**  cis-139.117039.1-101-97.7000116.4
294A29.9Very low29.4Very low84 Ų84143.7 Ų143.769%0.69478%0.784SS**  trans-39.1166.3166.300000118.3
295V28.1Very low29.6Very low132 Ų132144 Ų14480%0.879%0.786SS**  cis-167.2142.4-9.6131.60000108.7
296Q27.9Very low30.3Very low177 Ų177142.6 Ų142.683%0.82779%0.79SS**  trans-165.5175.7134.8-124.1179.9-20.500112.6
297E28.9Very low30.4Very low167 Ų167145 Ų14578%0.7880%0.798SS**  trans-86.9156.1-152-67.515991.200117.1
298K28.4Very low30.8Very low156 Ų156142.4 Ų142.468%0.67880%0.796SS**  trans-95.6134.1164.1-179.5-142.1-177.8-1670109.3E300K298-E300 VanDerWaalsContact NZ-CD 3.3Å; K298-E300 IonicContact NZ-OE2 2.71Å; K298-E300 PolarHBondContact NZ-OE2 3.27Å
299P30.6Very low31.1Very low120 Ų120139.3 Ų139.378%0.77980%0.795SS**  trans-114.9170.6135.1-10.629.9000114.1
300E27.1Very low31Very low141 Ų141140.6 Ų140.666%0.65979%0.793SS**  trans-86.7168.2-175.8-110.2148.8102.900114.3K298K298-E300 VanDerWaalsContact NZ-CD 3.3Å; K298-E300 IonicContact NZ-OE2 2.71Å; K298-E300 PolarHBondContact NZ-OE2 3.27Å
301P35.2Very low31.9Very low124 Ų124142.3 Ų142.381%0.80579%0.792SS**  trans-77.7149.5-170.432.8-34.1000112.7
302V29.7Very low32.4Very low127 Ų127145.4 Ų145.477%0.7779%0.792SS**  trans-121133.9176.8-174.50000108.1
303P32.6Very low32.8Very low115 Ų115148.3 Ų148.375%0.74779%0.785SS**  trans-72.7139.1-169.227.9-35.5000113.3E305P303-E305 PolarHBondContact O-N 3.44Å
304L31.1Very low33.9Very low181 Ų181147.1 Ų147.195%0.94878%0.779SS**  trans-89.983.9173.7-81.6168.8000111.2
305E30.7Very low35.3Very low185 Ų185148 Ų14886%0.86477%0.772SS**  trans-74.2129162.3-80.8-162.7114.300111.6P303P303-E305 PolarHBondContact O-N 3.44Å
306S42Very low37.4Very low121 Ų121145.8 Ų145.885%0.84676%0.756SS**  trans-27.5121.7177.1-1740000117.1
307R30.7Very low39.8Very low241 Ų241140.2 Ų140.291%0.90973%0.734SS**  trans-138.7142.5151.2-72.6-162.7175.1-160.5-2.1112.1
308S40.6Very low42.4Very low121 Ų121133.8 Ų133.885%0.84671%0.709SS**  trans-88.4128174.6179.50000111.3
309C34.3Very low45.1Very low113 Ų113126.6 Ų126.676%0.76468%0.678SS**  trans-148.3116.9160.455.40000108
310V27.8Very low47.7Very low127 Ų127123.6 Ų123.677%0.7766%0.658SS**  81.4124.168172.50000112.7
311L47.6Very low50.5Low151 Ų151120.4 Ų120.479%0.79166%0.656SS**  trans-81.1111.9-165-66.8158000114.7R314L311-R314 PolarHBondContact O-NH2 2.95Å
312I37.8Very low52.9Low132 Ų132118.5 Ų118.568%0.67765%0.646SS**  trans-143.473.6160.1-43.8178.9000113.6
313R38.3Very low55.7Low170 Ų170113.2 Ų113.264%0.64261%0.613SS**SBendtrans-149.480.5145.7-84.4-161.7175.4-1770.6106.8D315 L316 E338R313-D315 VanDerWaalsContact C-N 3.34Å; R313-D315 PolarHBondContact O-N 3.46Å; R313-L316 PolarHBondContact O-N 2.96Å; R313-E338 WeakPolarHBondContact CD-OE2 3.45Å; R313-E338 IonicContact CZ-OE2 3.95Å; R313-E338 IonicContact NE-OE2 3.35Å; R313-E338 VanDerWaalsContact NH1-CD 3.34Å; R313-E338 IonicContact NH1-OE1 3.99Å; R313-E338 PolarHBondContact NH1-OE1 2.74Å; R313-E338 IonicContact NH1-OE2 3.69Å; R313-E338 PolarHBondContact NH1-OE2 3.33Å
314R52.1Low58.3Low205 Ų205109.1 Ų109.177%0.77458%0.584SS**THydrogen-bonded Turntrans-69.8-14.1-140.4-85.8-166.5170.3102.210.4118.6L311L311-R314 PolarHBondContact O-NH2 2.95Å
315D60.1Low61.1Low101 Ų101105.5 Ų105.554%0.5458%0.575SS.*THydrogen-bonded Turntrans-140.827.9170.8-153.915.6000113.4R313 P341R313-D315 VanDerWaalsContact C-N 3.34Å; R313-D315 PolarHBondContact O-N 3.46Å; D315-P341 WeakPolarHBondContact O-CD 2.98Å; D315-P341 WeakPolarHBondContact OD1-CD 3.24Å; D315-P341 WeakPolarHBondContact OD1-CG 3.4Å
316L71.8Confident63.8Low87 Ų87102.9 Ų102.946%0.45556%0.562SS.*  trans-121118.8170.4-61179.8000108.8R313 E338R313-L316 PolarHBondContact O-N 2.96Å; L316-E338 HydrophobicContact CB-CB 4.24Å
317V77.7Confident65.9Low60 Ų6097.6 Ų97.636%0.36452%0.524SS..BIsolated β-bridgetrans-126.2154.1-174.4-165.20000109.4G339 P341 R357 M361V317-G339 PolarHBondContact N-O 3.11Å; V317-G339 VanDerWaalsContact N-O 3.13Å; V317-G339 PolarHBondContact O-N 3.24Å; V317-P341 HydrophobicContact CG2-CG 4.11Å; V317-R357 PolarHBondContact O-NH1 3.28Å; V317-R357 PolarHBondContact O-NH2 2.75Å; V317-M361 HydrophobicContact CB-CE 3.81Å; V317-M361 HydrophobicContact CB-SD 3.93Å; V317-M361 HydrophobicContact CG1-CE 3.67Å; V317-M361 HydrophobicContact CG1-SD 3.61Å; V317-M361 HydrophobicContact CG2-CE 4.41Å
318A83.9Confident68.5Low31 Ų3187.3 Ų87.326%0.25649%0.494SS..  trans-131.5167.1169.500000110.2E338A318-E338 HydrophobicContact CB-CG 4.43Å
319L84.9Confident70.7Confident6 Ų690.6 Ų90.63%0.03149%0.489CS..  trans-62.8142.1167.9-73.3174.6000110.1A321 L323 I324 I327 L335 M361 H364 L365L319-A321 PolarHBondContact O-N 3.25Å; L319-L323 HydrophobicContact CD2-CD2 4.13Å; L319-I324 HydrophobicContact CB-CD1 4.04Å; L319-I324 HydrophobicContact CB-CG1 3.79Å; L319-I324 WeakPolarHBondContact O-CD1 3.24Å; L319-I327 HydrophobicContact CD1-CD1 4.09Å; L319-L335 HydrophobicContact CD1-CB 3.71Å; L319-L335 HydrophobicContact CD1-CD1 4.27Å; L319-L335 HydrophobicContact CG-CB 4.06Å; L319-L335 PolarHBondContact N-O 2.78Å; L319-M361 HydrophobicContact CD2-CG 3.8Å; L319-M361 HydrophobicContact CG-CG 4.45Å; L319-H364 HydrophobicContact CD1-CB 4.45Å; L319-H364 HydrophobicContact CD2-CB 3.83Å; L319-L365 HydrophobicContact CD2-CG 4.4Å
320P85.8Confident73.1Confident57 Ų5791.8 Ų91.837%0.3748%0.477SS..  trans-57.9136.5176.7-25.834.4000111.9S322 L323 I324 L365P320-S322 PolarHBondContact O-N 3.09Å; P320-S322 VanDerWaalsContact O-N 3.16Å; P320-L323 HydrophobicContact CB-CB 4.4Å; P320-L323 WeakPolarHBondContact O-CA 3.47Å; P320-L323 WeakPolarHBondContact O-CB 3.46Å; P320-L323 PolarHBondContact O-N 3.18Å; P320-I324 PolarHBondContact O-N 3.34Å; P320-L365 HydrophobicContact CG-CD2 3.74Å
321A85.3Confident76Confident74 Ų7486.2 Ų86.261%0.61244%0.444SS*.Hα-helixtrans-56-34.7-178.800000113.3L319 L323 I324 S325L319-A321 PolarHBondContact O-N 3.25Å; A321-L323 VanDerWaalsContact C-N 3.33Å; A321-L323 PolarHBondContact O-N 3.07Å; A321-I324 PolarHBondContact O-N 3.37Å; A321-S325 WeakPolarHBondContact O-CB 3.39Å; A321-S325 PolarHBondContact O-N 3.13Å; A321-S325 PolarHBondContact O-OG 2.86Å
322S87Confident78.1Confident84 Ų8481 Ų8159%0.58742%0.415SS*.Hα-helixtrans-64.1-33.817452.30000113.3P320 Q326P320-S322 PolarHBondContact O-N 3.09Å; P320-S322 VanDerWaalsContact O-N 3.16Å; S322-Q326 WeakPolarHBondContact O-CG 3.38Å; S322-Q326 PolarHBondContact O-NE2 2.97Å
323L87.2Confident80.6Confident15 Ų1579.4 Ų79.48%0.07941%0.413CS..Hα-helixtrans-76.7-45172.9177.955.6000110.7L319 P320 A321 S325 Q326 I327 H364 L365L319-L323 HydrophobicContact CD2-CD2 4.13Å; P320-L323 HydrophobicContact CB-CB 4.4Å; P320-L323 WeakPolarHBondContact O-CA 3.47Å; P320-L323 WeakPolarHBondContact O-CB 3.46Å; P320-L323 PolarHBondContact O-N 3.18Å; A321-L323 VanDerWaalsContact C-N 3.33Å; A321-L323 PolarHBondContact O-N 3.07Å; L323-S325 PolarHBondContact O-N 3.42Å; L323-Q326 WeakPolarHBondContact O-CA 3.48Å; L323-Q326 WeakPolarHBondContact O-CB 3.37Å; L323-Q326 PolarHBondContact O-N 3.45Å; L323-I327 HydrophobicContact CD1-CG2 3.85Å; L323-I327 VanDerWaalsContact O-CG1 3.28Å; L323-I327 WeakPolarHBondContact O-CG1 3.12Å; L323-I327 PolarHBondContact O-N 3.25Å; L323-H364 HydrophobicContact CD2-CB 4.49Å; L323-L365 HydrophobicContact CD2-CD2 4.47Å
324I88.8Confident83Confident29 Ų2975.5 Ų75.515%0.14940%0.401CS..Hα-helixtrans-53-43.4176.4-66.9171.1000110.8L319 P320 A321 Q326 I327 G328 Y336L319-I324 HydrophobicContact CB-CD1 4.04Å; L319-I324 HydrophobicContact CB-CG1 3.79Å; L319-I324 WeakPolarHBondContact O-CD1 3.24Å; P320-I324 PolarHBondContact O-N 3.34Å; A321-I324 PolarHBondContact O-N 3.37Å; I324-Q326 PolarHBondContact O-N 3.03Å; I324-I327 PolarHBondContact O-N 3.45Å; I324-G328 WeakPolarHBondContact O-CA 3.24Å; I324-G328 PolarHBondContact O-N 3.12Å; I324-Y336 HydrophobicContact CB-CD1 4.38Å; I324-Y336 HydrophobicContact CB-CE1 4.48Å; I324-Y336 HydrophobicContact CD1-CD1 3.9Å; I324-Y336 HydrophobicContact CG1-CD1 3.8Å; I324-Y336 HydrophobicContact CG1-CE1 4.11Å; I324-Y336 HydrophobicContact CG2-CD1 3.75Å; I324-Y336 HydrophobicContact CG2-CE1 3.92Å
325S88.1Confident84.7Confident106 Ų10665.7 Ų65.774%0.74136%0.364SS*.Hα-helixtrans-63.4-25.6177.7-55.90000113.7A321 L323A321-S325 WeakPolarHBondContact O-CB 3.39Å; A321-S325 PolarHBondContact O-N 3.13Å; A321-S325 PolarHBondContact O-OG 2.86Å; L323-S325 PolarHBondContact O-N 3.42Å
326Q87.3Confident86Confident129 Ų12963 Ų6360%0.60335%0.347SS*.Hα-helixtrans-90.5-34.9179.8-65.9171.716.500113.3S322 L323 I324 V369S322-Q326 WeakPolarHBondContact O-CG 3.38Å; S322-Q326 PolarHBondContact O-NE2 2.97Å; L323-Q326 WeakPolarHBondContact O-CA 3.48Å; L323-Q326 WeakPolarHBondContact O-CB 3.37Å; L323-Q326 PolarHBondContact O-N 3.45Å; I324-Q326 PolarHBondContact O-N 3.03Å; Q326-V369 HydrophobicContact CB-CG1 3.62Å
327I86.7Confident86.8Confident10 Ų1061.6 Ų61.65%0.05134%0.344CS..Hα-helixtrans-92.1-18.5179.659.1148.6000113.4L319 L323 I324 R330 C331 Y336 V369 F423L319-I327 HydrophobicContact CD1-CD1 4.09Å; L323-I327 HydrophobicContact CD1-CG2 3.85Å; L323-I327 VanDerWaalsContact O-CG1 3.28Å; L323-I327 WeakPolarHBondContact O-CG1 3.12Å; L323-I327 PolarHBondContact O-N 3.25Å; I324-I327 PolarHBondContact O-N 3.45Å; I327-R330 WeakPolarHBondContact O-CG 3.24Å; I327-C331 HydrophobicContact CD1-CB 4.25Å; I327-C331 WeakPolarHBondContact CD1-SG 3.14Å; I327-Y336 HydrophobicContact CD1-CE1 4.38Å; I327-V369 HydrophobicContact CG2-CG1 4.18Å; I327-F423 HydrophobicContact CB-CE2 4.01Å; I327-F423 HydrophobicContact CG2-CE2 3.61Å; I327-F423 HydrophobicContact CG2-CZ 3.84Å
328G86.8Confident87.2Confident26 Ų2663.1 Ų63.127%0.26835%0.347SS..THydrogen-bonded Turntrans61.5-165-171.600000113.1I324 R330 Y336I324-G328 WeakPolarHBondContact O-CA 3.24Å; I324-G328 PolarHBondContact O-N 3.12Å; G328-R330 PolarHBondContact O-N 3.04Å; G328-Y336 WeakPolarHBondContact O-CE1 3.13Å; G328-Y336 PolarHBondContact O-OH 2.77Å
329Y86.1Confident87.4Confident190 Ų19062 Ų6275%0.74534%0.34SS*.THydrogen-bonded Turntrans-81.338.2179.3-66.8-73.5000113.8Y336Y329-Y336 VanDerWaalsContact C-OH 3.28Å; Y329-Y336 VanDerWaalsContact CA-OH 3.27Å; Y329-Y336 WeakPolarHBondContact CA-OH 3.33Å; Y329-Y336 AromaticContact CD1-CD1 3.96Å; Y329-Y336 HydrophobicContact CD1-CD1 3.96Å; Y329-Y336 AromaticContact CD1-CD2 3.85Å; Y329-Y336 HydrophobicContact CD1-CD2 3.85Å; Y329-Y336 AromaticContact CD1-CE1 3.99Å; Y329-Y336 HydrophobicContact CD1-CE1 3.99Å; Y329-Y336 AromaticContact CD1-CE2 3.91Å; Y329-Y336 HydrophobicContact CD1-CE2 3.91Å; Y329-Y336 AromaticContact CD1-CG 3.91Å; Y329-Y336 HydrophobicContact CD1-CG 3.91Å; Y329-Y336 AromaticContact CD1-CZ 3.98Å; Y329-Y336 AromaticContact CE1-CD1 3.92Å; Y329-Y336 HydrophobicContact CE1-CD1 3.92Å; Y329-Y336 HydrophobicContact CE1-CD2 4.27Å; Y329-Y336 HydrophobicContact CE1-CE1 4.35Å; Y329-Y336 AromaticContact CE1-CG 3.89Å; Y329-Y336 HydrophobicContact CE1-CG 3.89Å
330R84.6Confident87.5Confident138 Ų13865.2 Ų65.252%0.52136%0.356SS..  trans-93.7-4-174.9-61.2-173.6-173.5-77.1-3.2115.1I327 G328 Y336 N422 F423I327-R330 WeakPolarHBondContact O-CG 3.24Å; G328-R330 PolarHBondContact O-N 3.04Å; R330-Y336 PolarHBondContact N-OH 2.73Å; R330-Y336 VanDerWaalsContact N-OH 3.12Å; R330-N422 WeakPolarHBondContact CB-O 3.33Å; R330-F423 WeakPolarHBondContact CD-O 3.22Å
331C88.5Confident87.4Confident10 Ų1063.8 Ų63.87%0.06835%0.348CS..SBendtrans-105.5174.8-178.6-68.90000112.2I327 L335 Y336 H364 Y419 F423I327-C331 HydrophobicContact CD1-CB 4.25Å; I327-C331 WeakPolarHBondContact CD1-SG 3.14Å; C331-L335 HydrophobicContact CB-CD1 3.95Å; C331-Y336 HydrophobicContact CB-CE2 4.43Å; C331-Y336 VanDerWaalsContact CB-OH 3.3Å; C331-Y336 WeakPolarHBondContact CB-OH 3.29Å; C331-Y336 PolarHBondContact N-OH 3.29Å; C331-H364 PolarHBondContact SG-CE1 2.64Å; C331-Y419 WeakPolarHBondContact CA-OH 3.46Å; C331-Y419 WeakPolarHBondContact CB-OH 3.17Å; C331-F423 VanDerWaalsContact SG-CD2 3.53Å
332H91.9Very high87.5Confident41 Ų4162.5 Ų62.519%0.1934%0.341CS..  trans-54.3124.1176.4-171.7-77.8000111.8K334 L335 E346 L360 Y419H332-K334 VanDerWaalsContact C-N 3.3Å; H332-K334 PolarHBondContact ND1-N 3.08Å; H332-K334 PolarHBondContact O-N 3.13Å; H332-K334 VanDerWaalsContact O-N 3.08Å; H332-L335 HydrophobicContact CB-CD1 4.04Å; H332-L335 HydrophobicContact CB-CG 4.34Å; H332-L335 WeakPolarHBondContact O-CB 3.41Å; H332-L335 WeakPolarHBondContact O-CG 3.34Å; H332-L335 PolarHBondContact O-N 3.42Å; H332-E346 PolarHBondContact CD2-O 3.13Å; H332-E346 VanDerWaalsContact CD2-O 3.27Å; H332-E346 PolarHBondContact NE2-O 3.4Å; H332-L360 HydrophobicContact CB-CD2 3.82Å; H332-Y419 HydrophobicContact CB-CE2 4.15Å; H332-Y419 PolarHBondContact N-OH 3.19Å; H332-Y419 VanDerWaalsContact N-OH 3.11Å
333P89.4Confident87.7Confident98 Ų9861 Ų6164%0.63633%0.325SS*.G310 helixtrans-54.3-36.1-168.6-3236.7000116.1L335 Y336P333-L335 PolarHBondContact O-N 3.2Å; P333-Y336 WeakPolarHBondContact O-CD2 3.25Å; P333-Y336 PolarHBondContact O-N 2.8Å; P333-Y336 VanDerWaalsContact O-N 3.14Å
334K88.4Confident88Confident88 Ų8867.2 Ų67.238%0.38335%0.352SS..G310 helixtrans-58.2-11.6177-71.1-79.3-167.7141.20115.1H332 S337 E343 L345 R357H332-K334 VanDerWaalsContact C-N 3.3Å; H332-K334 PolarHBondContact ND1-N 3.08Å; H332-K334 PolarHBondContact O-N 3.13Å; H332-K334 VanDerWaalsContact O-N 3.08Å; K334-S337 PolarHBondContact O-OG 2.82Å; K334-E343 WeakPolarHBondContact CE-OE1 3.45Å; K334-E343 IonicContact NZ-OE1 2.79Å; K334-E343 PolarHBondContact NZ-OE1 3.4Å; K334-E343 IonicContact NZ-OE2 3.65Å; K334-L345 HydrophobicContact CB-CD1 4.18Å; K334-L345 HydrophobicContact CB-CD2 3.88Å; K334-L345 HydrophobicContact CG-CD2 3.83Å; K334-R357 VanDerWaalsContact O-CZ 3.27Å; K334-R357 PolarHBondContact O-NE 2.86Å; K334-R357 PolarHBondContact O-NH2 3.28Å
335L88.6Confident88.3Confident0 Ų066.2 Ų66.20%035%0.346CS..G310 helixtrans-83-18.3178.9-60.8170000113.6L319 C331 H332 P333 R357 L360 M361L319-L335 HydrophobicContact CD1-CB 3.71Å; L319-L335 HydrophobicContact CD1-CD1 4.27Å; L319-L335 HydrophobicContact CG-CB 4.06Å; L319-L335 PolarHBondContact N-O 2.78Å; C331-L335 HydrophobicContact CB-CD1 3.95Å; H332-L335 HydrophobicContact CB-CD1 4.04Å; H332-L335 HydrophobicContact CB-CG 4.34Å; H332-L335 WeakPolarHBondContact O-CB 3.41Å; H332-L335 WeakPolarHBondContact O-CG 3.34Å; H332-L335 PolarHBondContact O-N 3.42Å; P333-L335 PolarHBondContact O-N 3.2Å; L335-R357 HydrophobicContact CD2-CG 4.34Å; L335-L360 HydrophobicContact CD1-CD2 3.9Å; L335-L360 HydrophobicContact CD1-CG 3.96Å; L335-L360 HydrophobicContact CD2-CD2 4.36Å; L335-L360 HydrophobicContact CD2-CG 4.29Å; L335-L360 HydrophobicContact CG-CD2 4.41Å; L335-M361 HydrophobicContact CD2-CB 4.03Å
336Y87.8Confident88.7Confident43 Ų4363.3 Ų63.317%0.16932%0.321CS..THydrogen-bonded Turntrans-87.6-28.8179.9-56.2-71.1000112.9I324 I327 G328 Y329 R330 C331 P333I324-Y336 HydrophobicContact CB-CD1 4.38Å; I324-Y336 HydrophobicContact CB-CE1 4.48Å; I324-Y336 HydrophobicContact CD1-CD1 3.9Å; I324-Y336 HydrophobicContact CG1-CD1 3.8Å; I324-Y336 HydrophobicContact CG1-CE1 4.11Å; I324-Y336 HydrophobicContact CG2-CD1 3.75Å; I324-Y336 HydrophobicContact CG2-CE1 3.92Å; I327-Y336 HydrophobicContact CD1-CE1 4.38Å; G328-Y336 WeakPolarHBondContact O-CE1 3.13Å; G328-Y336 PolarHBondContact O-OH 2.77Å; Y329-Y336 VanDerWaalsContact C-OH 3.28Å; Y329-Y336 VanDerWaalsContact CA-OH 3.27Å; Y329-Y336 WeakPolarHBondContact CA-OH 3.33Å; Y329-Y336 AromaticContact CD1-CD1 3.96Å; Y329-Y336 HydrophobicContact CD1-CD1 3.96Å; Y329-Y336 AromaticContact CD1-CD2 3.85Å; Y329-Y336 HydrophobicContact CD1-CD2 3.85Å; Y329-Y336 AromaticContact CD1-CE1 3.99Å; Y329-Y336 HydrophobicContact CD1-CE1 3.99Å; Y329-Y336 AromaticContact CD1-CE2 3.91Å; Y329-Y336 HydrophobicContact CD1-CE2 3.91Å; Y329-Y336 AromaticContact CD1-CG 3.91Å; Y329-Y336 HydrophobicContact CD1-CG 3.91Å; Y329-Y336 AromaticContact CD1-CZ 3.98Å; Y329-Y336 AromaticContact CE1-CD1 3.92Å; Y329-Y336 HydrophobicContact CE1-CD1 3.92Å; Y329-Y336 HydrophobicContact CE1-CD2 4.27Å; Y329-Y336 HydrophobicContact CE1-CE1 4.35Å; Y329-Y336 AromaticContact CE1-CG 3.89Å; Y329-Y336 HydrophobicContact CE1-CG 3.89Å; R330-Y336 PolarHBondContact N-OH 2.73Å; R330-Y336 VanDerWaalsContact N-OH 3.12Å; C331-Y336 HydrophobicContact CB-CE2 4.43Å; C331-Y336 VanDerWaalsContact CB-OH 3.3Å; C331-Y336 WeakPolarHBondContact CB-OH 3.29Å; C331-Y336 PolarHBondContact N-OH 3.29Å; P333-Y336 WeakPolarHBondContact O-CD2 3.25Å; P333-Y336 PolarHBondContact O-N 2.8Å; P333-Y336 VanDerWaalsContact O-N 3.14Å
337S88.2Confident89Confident59 Ų5957.3 Ų57.341%0.41329%0.293SS..SBendtrans-87.1152.2171570000111.2K334 R357K334-S337 PolarHBondContact O-OG 2.82Å; S337-R357 PolarHBondContact O-NH2 3.27Å
338E86.8Confident89.4Confident91 Ų9157.9 Ų57.943%0.42530%0.297SS..  trans-57142.3162.9-76.7-179.7-160.500110.9R313 L316 A318R313-E338 WeakPolarHBondContact CD-OE2 3.45Å; R313-E338 IonicContact CZ-OE2 3.95Å; R313-E338 IonicContact NE-OE2 3.35Å; R313-E338 VanDerWaalsContact NH1-CD 3.34Å; R313-E338 IonicContact NH1-OE1 3.99Å; R313-E338 PolarHBondContact NH1-OE1 2.74Å; R313-E338 IonicContact NH1-OE2 3.69Å; R313-E338 PolarHBondContact NH1-OE2 3.33Å; L316-E338 HydrophobicContact CB-CB 4.24Å; A318-E338 HydrophobicContact CB-CG 4.43Å
339G87.8Confident89.6Confident9 Ų961 Ų619%0.09332%0.32CS..BIsolated β-bridgetrans-172.9162.2-177.500000113.6V317 R357V317-G339 PolarHBondContact N-O 3.11Å; V317-G339 VanDerWaalsContact N-O 3.13Å; V317-G339 PolarHBondContact O-N 3.24Å; G339-R357 PolarHBondContact O-NH1 2.91Å
340D85.7Confident89.8Confident72 Ų7255.5 Ų55.539%0.38532%0.321SS..  trans-63.7122.7179.5164.126.4000111.6G342 E343 R357D340-G342 PolarHBondContact O-N 2.85Å; D340-G342 WeakPolarHBondContact OD1-CA 3.07Å; D340-G342 PolarHBondContact OD1-N 2.8Å; D340-E343 HydrophobicContact CB-CB 4.37Å; D340-E343 VanDerWaalsContact O-CB 3.25Å; D340-E343 WeakPolarHBondContact O-CB 3.41Å; D340-E343 PolarHBondContact O-N 3.13Å; D340-E343 VanDerWaalsContact O-N 3.08Å; D340-E343 PolarHBondContact OD2-N 2.82Å; D340-R357 WeakPolarHBondContact O-CB 3.04Å; D340-R357 WeakPolarHBondContact O-CD 3.45Å
341P85.4Confident90.2Very high28 Ų2850.2 Ų50.218%0.18231%0.305CS..THydrogen-bonded Turntrans-57.8-27.4172.7-25.235.5000114.7D315 V317 E343 R357 G358D315-P341 WeakPolarHBondContact O-CD 2.98Å; D315-P341 WeakPolarHBondContact OD1-CD 3.24Å; D315-P341 WeakPolarHBondContact OD1-CG 3.4Å; V317-P341 HydrophobicContact CG2-CG 4.11Å; P341-E343 VanDerWaalsContact C-N 3.31Å; P341-R357 PolarHBondContact O-N 3.47Å; P341-G358 PolarHBondContact O-N 2.8Å
342G86.3Confident90.4Very high47 Ų4751.3 Ų51.349%0.48532%0.318SS..THydrogen-bonded Turntrans-72.4-17.317400000114.4D340 K344D340-G342 PolarHBondContact O-N 2.85Å; D340-G342 WeakPolarHBondContact OD1-CA 3.07Å; D340-G342 PolarHBondContact OD1-N 2.8Å; G342-K344 PolarHBondContact O-N 3.03Å; G342-K344 VanDerWaalsContact O-N 3.16Å
343E91.8Very high90.6Very high53 Ų5349.7 Ų49.725%0.24831%0.312CS..  trans-54.9121-176.4-176.2179.2-148.600110.9K334 D340 P341 L345 T356 R357K334-E343 WeakPolarHBondContact CE-OE1 3.45Å; K334-E343 IonicContact NZ-OE1 2.79Å; K334-E343 PolarHBondContact NZ-OE1 3.4Å; K334-E343 IonicContact NZ-OE2 3.65Å; D340-E343 HydrophobicContact CB-CB 4.37Å; D340-E343 VanDerWaalsContact O-CB 3.25Å; D340-E343 WeakPolarHBondContact O-CB 3.41Å; D340-E343 PolarHBondContact O-N 3.13Å; D340-E343 VanDerWaalsContact O-N 3.08Å; D340-E343 PolarHBondContact OD2-N 2.82Å; P341-E343 VanDerWaalsContact C-N 3.31Å; E343-L345 HydrophobicContact CG-CD2 3.87Å; E343-L345 PolarHBondContact O-N 3.41Å; E343-L345 VanDerWaalsContact O-N 3.16Å; E343-T356 CarbonylContact O-C 3.57Å; E343-T356 WeakPolarHBondContact O-CA 3.45Å; E343-R357 HydrophobicContact CB-CB 4.03Å; E343-R357 WeakPolarHBondContact O-CB 3.29Å; E343-R357 PolarHBondContact O-N 3.49Å
344K93.9Very high90.9Very high145 Ų14550.7 Ų50.763%0.6330%0.303SS*.EExtended strand (participates in β ladder)trans-81.495.9-179.1-175.4-178.8173.9-175.40110.1G342 Y354G342-K344 PolarHBondContact O-N 3.03Å; G342-K344 VanDerWaalsContact O-N 3.16Å; K344-Y354 HydrophobicContact CD-CD1 4.29Å; K344-Y354 HydrophobicContact CD-CG 4.42Å; K344-Y354 HydrophobicContact CG-CD1 3.98Å; K344-Y354 HydrophobicContact CG-CG 4.29Å
345L94.8Very high91.2Very high7 Ų746.6 Ų46.64%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-81.7145.4177-56.2-178000110.9K334 E343 Y354 I355 R357 L360K334-L345 HydrophobicContact CB-CD1 4.18Å; K334-L345 HydrophobicContact CB-CD2 3.88Å; K334-L345 HydrophobicContact CG-CD2 3.83Å; E343-L345 HydrophobicContact CG-CD2 3.87Å; E343-L345 PolarHBondContact O-N 3.41Å; E343-L345 VanDerWaalsContact O-N 3.16Å; L345-Y354 CarbonylContact O-C 3.53Å; L345-Y354 VanDerWaalsContact O-CA 3.23Å; L345-Y354 WeakPolarHBondContact O-CA 3.37Å; L345-I355 HydrophobicContact CB-CG2 4.5Å; L345-I355 PolarHBondContact N-O 2.86Å; L345-I355 PolarHBondContact O-N 3.01Å; L345-I355 VanDerWaalsContact O-O 3.09Å; L345-R357 HydrophobicContact CD1-CB 3.83Å; L345-R357 HydrophobicContact CD1-CG 3.94Å; L345-R357 HydrophobicContact CG-CB 4.02Å; L345-L360 HydrophobicContact CD1-CD2 4.11Å
346E95.6Very high91.5Very high46 Ų4648.9 Ų48.922%0.21530%0.3CS..EExtended strand (participates in β ladder)trans-79.7127.2160.9-158.6-176.8-16800107.9H332 V348 A349 G350 S351 G352 V353 Y354H332-E346 PolarHBondContact CD2-O 3.13Å; H332-E346 VanDerWaalsContact CD2-O 3.27Å; H332-E346 PolarHBondContact NE2-O 3.4Å; E346-V348 VanDerWaalsContact C-N 3.31Å; E346-V348 VanDerWaalsContact CD-O 3.31Å; E346-V348 WeakPolarHBondContact CG-O 3.43Å; E346-V348 PolarHBondContact O-N 3.14Å; E346-A349 VanDerWaalsContact OE2-CA 3.3Å; E346-A349 WeakPolarHBondContact OE2-CA 3.12Å; E346-G350 WeakPolarHBondContact OE1-CA 3.5Å; E346-G350 PolarHBondContact OE1-N 3.16Å; E346-G350 VanDerWaalsContact OE1-N 3.09Å; E346-G350 PolarHBondContact OE2-N 3.44Å; E346-S351 PolarHBondContact OE1-N 2.89Å; E346-G352 WeakPolarHBondContact OE1-CA 3.34Å; E346-G352 PolarHBondContact OE1-N 2.63Å; E346-V353 CarbonylContact C-O 3.57Å; E346-Y354 HydrophobicContact CB-CD1 4.12Å; E346-Y354 HydrophobicContact CB-CE1 4Å; E346-Y354 HydrophobicContact CG-CD1 4.35Å; E346-Y354 HydrophobicContact CG-CE1 4.14Å
347L94.9Very high91.7Very high2 Ų246.8 Ų46.81%0.0129%0.292CS..SBendtrans-60.2-44.8-173-179.869.7000111V353 I355 L360 L378 F382 A415 V416 Y419L347-V353 HydrophobicContact CB-CG1 4.46Å; L347-V353 PolarHBondContact N-O 3.02Å; L347-I355 HydrophobicContact CB-CG2 4.27Å; L347-I355 HydrophobicContact CD1-CG2 4.03Å; L347-L360 HydrophobicContact CD1-CD1 3.86Å; L347-L360 HydrophobicContact CD1-CD2 4.49Å; L347-L378 HydrophobicContact CD1-CD2 4.03Å; L347-F382 HydrophobicContact CD2-CE2 3.85Å; L347-F382 HydrophobicContact CD2-CZ 3.95Å; L347-A415 HydrophobicContact CD2-CB 4.12Å; L347-V416 HydrophobicContact CD2-CG2 3.78Å; L347-Y419 HydrophobicContact CD1-CD2 3.59Å; L347-Y419 HydrophobicContact CD1-CE2 4.02Å; L347-Y419 HydrophobicContact CD1-CG 3.89Å; L347-Y419 HydrophobicContact CG-CD2 3.84Å; L347-Y419 HydrophobicContact CG-CG 4.14Å; L347-Y419 WeakPolarHBondContact O-CD2 3.36Å
348V93.9Very high91.7Very high23 Ų2344.9 Ų44.914%0.13928%0.281CS..SBendtrans-135.2136.3168.1-174.60000107.6E346 G350 S351 A415 L418 Y419E346-V348 VanDerWaalsContact C-N 3.31Å; E346-V348 VanDerWaalsContact CD-O 3.31Å; E346-V348 WeakPolarHBondContact CG-O 3.43Å; E346-V348 PolarHBondContact O-N 3.14Å; V348-G350 PolarHBondContact O-N 2.81Å; V348-S351 VanDerWaalsContact O-CB 3.25Å; V348-S351 WeakPolarHBondContact O-CB 3.18Å; V348-S351 PolarHBondContact O-N 2.79Å; V348-S351 VanDerWaalsContact O-N 3.14Å; V348-S351 PolarHBondContact O-OG 2.89Å; V348-A415 WeakPolarHBondContact CG2-O 3.42Å; V348-L418 HydrophobicContact CG1-CD2 3.83Å; V348-L418 HydrophobicContact CG1-CG 4.14Å; V348-L418 HydrophobicContact CG2-CB 4.44Å; V348-L418 HydrophobicContact CG2-CG 4.49Å; V348-Y419 HydrophobicContact CG2-CD2 4.15Å
349A91.2Very high92Very high90 Ų9044.6 Ų44.674%0.74428%0.28SS*.THydrogen-bonded Turntrans-54.1129.6-177.900000112.2E346 S351E346-A349 VanDerWaalsContact OE2-CA 3.3Å; E346-A349 WeakPolarHBondContact OE2-CA 3.12Å; A349-S351 VanDerWaalsContact C-N 3.31Å; A349-S351 PolarHBondContact O-N 3.16Å
350G90.4Very high92.3Very high75 Ų7544.2 Ų44.277%0.77328%0.275SS*.THydrogen-bonded Turntrans76.47.8179.500000115.7E346 V348E346-G350 WeakPolarHBondContact OE1-CA 3.5Å; E346-G350 PolarHBondContact OE1-N 3.16Å; E346-G350 VanDerWaalsContact OE1-N 3.09Å; E346-G350 PolarHBondContact OE2-N 3.44Å; V348-G350 PolarHBondContact O-N 2.81Å
351S92.9Very high92.6Very high27 Ų2741.6 Ų41.619%0.18926%0.261CS..SBendtrans-81.7-20.7176.7660000114.2E346 V348 A349 V353 R411E346-S351 PolarHBondContact OE1-N 2.89Å; V348-S351 VanDerWaalsContact O-CB 3.25Å; V348-S351 WeakPolarHBondContact O-CB 3.18Å; V348-S351 PolarHBondContact O-N 2.79Å; V348-S351 VanDerWaalsContact O-N 3.14Å; V348-S351 PolarHBondContact O-OG 2.89Å; A349-S351 VanDerWaalsContact C-N 3.31Å; A349-S351 PolarHBondContact O-N 3.16Å; S351-V353 PolarHBondContact O-N 2.89Å; S351-V353 PolarHBondContact OG-N 2.71Å; S351-R411 VanDerWaalsContact O-CD 3.3Å; S351-R411 WeakPolarHBondContact O-CD 3.36Å; S351-R411 WeakPolarHBondContact O-CG 3.34Å
352G93.1Very high92.8Very high33 Ų3343.8 Ų43.834%0.3427%0.271SS..  trans65.913.8-169.700000114.3E346 Y354E346-G352 WeakPolarHBondContact OE1-CA 3.34Å; E346-G352 PolarHBondContact OE1-N 2.63Å; G352-Y354 WeakPolarHBondContact O-CD2 3.19Å
353V95.8Very high93.2Very high8 Ų841.7 Ų41.75%0.04825%0.249CC..  trans-108121.6-177.9177.80000109.1E346 L347 S351 F382 R411 V412 A415E346-V353 CarbonylContact C-O 3.57Å; L347-V353 HydrophobicContact CB-CG1 4.46Å; L347-V353 PolarHBondContact N-O 3.02Å; S351-V353 PolarHBondContact O-N 2.89Å; S351-V353 PolarHBondContact OG-N 2.71Å; V353-F382 HydrophobicContact CG1-CD1 4.17Å; V353-F382 HydrophobicContact CG1-CE1 3.48Å; V353-F382 VanDerWaalsContact CG1-CE1 3.48Å; V353-F382 HydrophobicContact CG1-CE2 4.44Å; V353-F382 HydrophobicContact CG1-CZ 3.64Å; V353-R411 HydrophobicContact CG2-CG 3.85Å; V353-V412 HydrophobicContact CG1-CG2 4.39Å; V353-V412 HydrophobicContact CG2-CG2 4.27Å; V353-A415 HydrophobicContact CB-CB 3.75Å; V353-A415 HydrophobicContact CG1-CB 4.06Å; V353-A415 HydrophobicContact CG2-CB 3.73Å
354Y96Very high93.1Very high118 Ų11839.2 Ų39.246%0.46324%0.237SC..EExtended strand (participates in β ladder)trans-118.7141.8-170.1-63.9-92.1000113K344 L345 E346 G352 F382K344-Y354 HydrophobicContact CD-CD1 4.29Å; K344-Y354 HydrophobicContact CD-CG 4.42Å; K344-Y354 HydrophobicContact CG-CD1 3.98Å; K344-Y354 HydrophobicContact CG-CG 4.29Å; L345-Y354 CarbonylContact O-C 3.53Å; L345-Y354 VanDerWaalsContact O-CA 3.23Å; L345-Y354 WeakPolarHBondContact O-CA 3.37Å; E346-Y354 HydrophobicContact CB-CD1 4.12Å; E346-Y354 HydrophobicContact CB-CE1 4Å; E346-Y354 HydrophobicContact CG-CD1 4.35Å; E346-Y354 HydrophobicContact CG-CE1 4.14Å; G352-Y354 WeakPolarHBondContact O-CD2 3.19Å; Y354-F382 WeakPolarHBondContact O-CE1 3.47Å
355I94.7Very high92.9Very high3 Ų336.2 Ų36.22%0.01523%0.228CC..EExtended strand (participates in β ladder)trans-137.7144.6179.5-172.2164.6000108.6L345 L347 Q359 L360 L378 T381 F382L345-I355 HydrophobicContact CB-CG2 4.5Å; L345-I355 PolarHBondContact N-O 2.86Å; L345-I355 PolarHBondContact O-N 3.01Å; L345-I355 VanDerWaalsContact O-O 3.09Å; L347-I355 HydrophobicContact CB-CG2 4.27Å; L347-I355 HydrophobicContact CD1-CG2 4.03Å; I355-Q359 HydrophobicContact CD1-CB 4.08Å; I355-Q359 HydrophobicContact CG1-CB 3.68Å; I355-L360 HydrophobicContact CD1-CB 3.99Å; I355-L360 HydrophobicContact CD1-CD1 4.3Å; I355-L360 HydrophobicContact CG1-CB 4.19Å; I355-L360 HydrophobicContact CG2-CB 4.02Å; I355-L360 HydrophobicContact CG2-CD2 4.12Å; I355-L360 HydrophobicContact CG2-CG 4.47Å; I355-L378 HydrophobicContact CD1-CD2 4.12Å; I355-T381 HydrophobicContact CD1-CG2 3.86Å; I355-T381 HydrophobicContact CG1-CG2 4.16Å; I355-F382 HydrophobicContact CB-CE1 4.45Å; I355-F382 HydrophobicContact CB-CZ 4.04Å; I355-F382 HydrophobicContact CD1-CE2 4.46Å; I355-F382 HydrophobicContact CD1-CZ 4.25Å
356T94.4Very high92.6Very high47 Ų4739.4 Ų39.429%0.28825%0.25SS..EExtended strand (participates in β ladder)trans-71148.2172.762.50000110.2E343 G358 Q359 L360E343-T356 CarbonylContact O-C 3.57Å; E343-T356 WeakPolarHBondContact O-CA 3.45Å; T356-G358 PolarHBondContact O-N 3.41Å; T356-Q359 WeakPolarHBondContact O-CB 3.44Å; T356-Q359 PolarHBondContact O-N 3.44Å; T356-Q359 VanDerWaalsContact O-N 3.11Å; T356-Q359 WeakPolarHBondContact OG1-CB 3.42Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.3Å; T356-Q359 PolarHBondContact OG1-N 3.32Å; T356-Q359 PolarHBondContact OG1-OE1 3.25Å; T356-L360 PolarHBondContact O-N 3.31Å
357R92.1Very high92.3Very high0 Ų037.5 Ų37.50%024%0.242CC..Hα-helixtrans-56.3-38.8178-175.8170.4179.2-66.7-10.2111.8V317 K334 L335 S337 G339 D340 P341 E343 L345 L360 M361V317-R357 PolarHBondContact O-NH1 3.28Å; V317-R357 PolarHBondContact O-NH2 2.75Å; K334-R357 VanDerWaalsContact O-CZ 3.27Å; K334-R357 PolarHBondContact O-NE 2.86Å; K334-R357 PolarHBondContact O-NH2 3.28Å; L335-R357 HydrophobicContact CD2-CG 4.34Å; S337-R357 PolarHBondContact O-NH2 3.27Å; G339-R357 PolarHBondContact O-NH1 2.91Å; D340-R357 WeakPolarHBondContact O-CB 3.04Å; D340-R357 WeakPolarHBondContact O-CD 3.45Å; P341-R357 PolarHBondContact O-N 3.47Å; E343-R357 HydrophobicContact CB-CB 4.03Å; E343-R357 WeakPolarHBondContact O-CB 3.29Å; E343-R357 PolarHBondContact O-N 3.49Å; L345-R357 HydrophobicContact CD1-CB 3.83Å; L345-R357 HydrophobicContact CD1-CG 3.94Å; L345-R357 HydrophobicContact CG-CB 4.02Å; R357-L360 PolarHBondContact O-N 3.48Å; R357-M361 WeakPolarHBondContact O-CB 3.43Å; R357-M361 PolarHBondContact O-N 2.97Å
358G88.7Confident92Very high18 Ų1838.4 Ų38.419%0.18625%0.252CS..Hα-helixtrans-63.8-44.1174.300000113.5P341 T356 N362P341-G358 PolarHBondContact O-N 2.8Å; T356-G358 PolarHBondContact O-N 3.41Å; G358-N362 VanDerWaalsContact O-CB 3.29Å; G358-N362 WeakPolarHBondContact O-CB 3.34Å; G358-N362 PolarHBondContact O-N 2.63Å
359Q92.8Very high91.9Very high86 Ų8641 Ų4140%0.40227%0.267SS..Hα-helixtrans-61.5-50173.7-77163-30.300111.4I355 T356 M361 N362 C363 T381I355-Q359 HydrophobicContact CD1-CB 4.08Å; I355-Q359 HydrophobicContact CG1-CB 3.68Å; T356-Q359 WeakPolarHBondContact O-CB 3.44Å; T356-Q359 PolarHBondContact O-N 3.44Å; T356-Q359 VanDerWaalsContact O-N 3.11Å; T356-Q359 WeakPolarHBondContact OG1-CB 3.42Å; T356-Q359 WeakPolarHBondContact OG1-CG 3.3Å; T356-Q359 PolarHBondContact OG1-N 3.32Å; T356-Q359 PolarHBondContact OG1-OE1 3.25Å; Q359-M361 PolarHBondContact O-N 2.91Å; Q359-N362 WeakPolarHBondContact O-CB 3.36Å; Q359-N362 PolarHBondContact O-N 3.21Å; Q359-C363 PolarHBondContact O-N 3.29Å; Q359-C363 PolarHBondContact O-SG 2.95Å; Q359-T381 HydrophobicContact CB-CG2 4.12Å; Q359-T381 HydrophobicContact CG-CG2 4.17Å
360L94.1Very high91.9Very high0 Ų043.5 Ų43.50%026%0.261CS..Hα-helixtrans-64.4-43.1-178.5-176.659.1000111.7H332 L335 L345 L347 I355 T356 R357 N362 C363 H364 L378 Y419H332-L360 HydrophobicContact CB-CD2 3.82Å; L335-L360 HydrophobicContact CD1-CD2 3.9Å; L335-L360 HydrophobicContact CD1-CG 3.96Å; L335-L360 HydrophobicContact CD2-CD2 4.36Å; L335-L360 HydrophobicContact CD2-CG 4.29Å; L335-L360 HydrophobicContact CG-CD2 4.41Å; L345-L360 HydrophobicContact CD1-CD2 4.11Å; L347-L360 HydrophobicContact CD1-CD1 3.86Å; L347-L360 HydrophobicContact CD1-CD2 4.49Å; I355-L360 HydrophobicContact CD1-CB 3.99Å; I355-L360 HydrophobicContact CD1-CD1 4.3Å; I355-L360 HydrophobicContact CG1-CB 4.19Å; I355-L360 HydrophobicContact CG2-CB 4.02Å; I355-L360 HydrophobicContact CG2-CD2 4.12Å; I355-L360 HydrophobicContact CG2-CG 4.47Å; T356-L360 PolarHBondContact O-N 3.31Å; R357-L360 PolarHBondContact O-N 3.48Å; L360-N362 VanDerWaalsContact C-N 3.34Å; L360-N362 PolarHBondContact O-N 2.99Å; L360-C363 WeakPolarHBondContact O-CB 3.4Å; L360-C363 PolarHBondContact O-N 2.75Å; L360-H364 PolarHBondContact O-CD2 3.22Å; L360-H364 PolarHBondContact O-N 3.4Å; L360-L378 HydrophobicContact CD1-CD2 3.81Å; L360-Y419 HydrophobicContact CD1-CE1 4.38Å; L360-Y419 HydrophobicContact CD1-CE2 4.41Å; L360-Y419 HydrophobicContact CD2-CE2 4.44Å
361M91.2Very high92Very high17 Ų1741.7 Ų41.78%0.08423%0.233CC..Hα-helixtrans-60.2-43173.4-176.2177.462.600111.4V317 L319 L335 R357 Q359 C363 H364 L365V317-M361 HydrophobicContact CB-CE 3.81Å; V317-M361 HydrophobicContact CB-SD 3.93Å; V317-M361 HydrophobicContact CG1-CE 3.67Å; V317-M361 HydrophobicContact CG1-SD 3.61Å; V317-M361 HydrophobicContact CG2-CE 4.41Å; L319-M361 HydrophobicContact CD2-CG 3.8Å; L319-M361 HydrophobicContact CG-CG 4.45Å; L335-M361 HydrophobicContact CD2-CB 4.03Å; R357-M361 WeakPolarHBondContact O-CB 3.43Å; R357-M361 PolarHBondContact O-N 2.97Å; Q359-M361 PolarHBondContact O-N 2.91Å; M361-C363 PolarHBondContact O-N 3.11Å; M361-H364 PolarHBondContact O-N 2.89Å; M361-L365 HydrophobicContact CG-CD1 4.09Å; M361-L365 WeakPolarHBondContact O-CG 3.24Å; M361-L365 PolarHBondContact O-N 3.49Å
362N90.8Very high92Very high75 Ų7544.7 Ų44.740%0.40124%0.243SC..Hα-helixtrans-60.8-44174.5-169-80.5000111.4G358 Q359 L360 H364 L365 C366 R377G358-N362 VanDerWaalsContact O-CB 3.29Å; G358-N362 WeakPolarHBondContact O-CB 3.34Å; G358-N362 PolarHBondContact O-N 2.63Å; Q359-N362 WeakPolarHBondContact O-CB 3.36Å; Q359-N362 PolarHBondContact O-N 3.21Å; L360-N362 VanDerWaalsContact C-N 3.34Å; L360-N362 PolarHBondContact O-N 2.99Å; N362-H364 VanDerWaalsContact C-N 3.28Å; N362-H364 PolarHBondContact O-N 2.83Å; N362-L365 PolarHBondContact O-N 3.2Å; N362-C366 PolarHBondContact O-N 2.98Å; N362-R377 VanDerWaalsContact C-NH1 3.27Å; N362-R377 PolarHBondContact O-NH1 3.5Å; N362-R377 VanDerWaalsContact OD1-CZ 3.29Å; N362-R377 PolarHBondContact OD1-NH1 3.14Å; N362-R377 PolarHBondContact OD1-NH2 2.89Å
363C93.2Very high92.1Very high2 Ų245.4 Ų45.41%0.01424%0.24CC..Hα-helixtrans-51-47.8176.5-69.20000111.8Q359 L360 M361 A367 L374 R377 L378Q359-C363 PolarHBondContact O-N 3.29Å; Q359-C363 PolarHBondContact O-SG 2.95Å; L360-C363 WeakPolarHBondContact O-CB 3.4Å; L360-C363 PolarHBondContact O-N 2.75Å; M361-C363 PolarHBondContact O-N 3.11Å; C363-A367 VanDerWaalsContact O-CB 3.3Å; C363-A367 WeakPolarHBondContact O-CB 3.49Å; C363-A367 PolarHBondContact O-N 3.34Å; C363-L374 HydrophobicContact CB-CD1 3.97Å; C363-R377 HydrophobicContact CB-CB 4.33Å; C363-L378 HydrophobicContact CB-CD2 4.32Å
364H91.3Very high92Very high1 Ų145 Ų451%0.00524%0.238CC..Hα-helixtrans-66.9-46176.7-72.4-63.2000113.6L319 L323 C331 L360 M361 N362 C366 A367 G368 L374 Y419 F423L319-H364 HydrophobicContact CD1-CB 4.45Å; L319-H364 HydrophobicContact CD2-CB 3.83Å; L323-H364 HydrophobicContact CD2-CB 4.49Å; C331-H364 PolarHBondContact SG-CE1 2.64Å; L360-H364 PolarHBondContact O-CD2 3.22Å; L360-H364 PolarHBondContact O-N 3.4Å; M361-H364 PolarHBondContact O-N 2.89Å; N362-H364 VanDerWaalsContact C-N 3.28Å; N362-H364 PolarHBondContact O-N 2.83Å; H364-C366 VanDerWaalsContact C-N 3.26Å; H364-C366 PolarHBondContact O-N 3.25Å; H364-A367 PolarHBondContact O-N 2.85Å; H364-G368 PolarHBondContact O-N 3.2Å; H364-L374 VanDerWaalsContact CE1-CD1 3.5Å; H364-L374 WeakPolarHBondContact CE1-CD1 3.23Å; H364-Y419 AromaticContact CE1-CE1 3.7Å; H364-Y419 AromaticContact NE2-CE1 3.62Å; H364-Y419 AromaticContact NE2-CZ 3.64Å; H364-Y419 PolarHBondContact NE2-OH 3.3Å; H364-F423 AromaticContact ND1-CE2 3.92Å
365L88.4Confident92Very high82 Ų8239.4 Ų39.443%0.42922%0.216SC..Hα-helixtrans-54.5-38.7-177.9-77.6169000113.3L319 P320 L323 M361 N362L319-L365 HydrophobicContact CD2-CG 4.4Å; P320-L365 HydrophobicContact CG-CD2 3.74Å; L323-L365 HydrophobicContact CD2-CD2 4.47Å; M361-L365 HydrophobicContact CG-CD1 4.09Å; M361-L365 WeakPolarHBondContact O-CG 3.24Å; M361-L365 PolarHBondContact O-N 3.49Å; N362-L365 PolarHBondContact O-N 3.2Å
366C88.3Confident92.1Very high75 Ų7544.6 Ų44.651%0.50724%0.235SC..THydrogen-bonded Turntrans-93.6-5.7176.9-47.50000114.3N362 H364 R377N362-C366 PolarHBondContact O-N 2.98Å; H364-C366 VanDerWaalsContact C-N 3.26Å; H364-C366 PolarHBondContact O-N 3.25Å; C366-R377 PolarHBondContact SG-NH1 2.97Å
367A90.4Very high92.1Very high6 Ų645.9 Ų45.95%0.0524%0.235CC..THydrogen-bonded Turntrans-91.4-34.6174.300000112.4C363 H364 V369 K370 V373 L374C363-A367 VanDerWaalsContact O-CB 3.3Å; C363-A367 WeakPolarHBondContact O-CB 3.49Å; C363-A367 PolarHBondContact O-N 3.34Å; H364-A367 PolarHBondContact O-N 2.85Å; A367-V369 PolarHBondContact O-N 3.47Å; A367-K370 VanDerWaalsContact O-CB 3.31Å; A367-K370 WeakPolarHBondContact O-CB 3.29Å; A367-K370 PolarHBondContact O-N 2.92Å; A367-V373 HydrophobicContact CB-CB 4.15Å; A367-V373 HydrophobicContact CB-CG1 4.17Å; A367-L374 HydrophobicContact CB-CB 3.75Å
368G89.1Confident92.3Very high20 Ų2045.9 Ų45.921%0.20624%0.235CC..THydrogen-bonded Turntrans55.8-133.6-165.200000109.9H364 K370 F423H364-G368 PolarHBondContact O-N 3.2Å; G368-K370 VanDerWaalsContact C-N 3.28Å; G368-K370 PolarHBondContact O-N 3.25Å; G368-F423 WeakPolarHBondContact O-CZ 3.1Å
369V90.3Very high92.7Very high77 Ų7745.1 Ų45.147%0.46723%0.226SC..THydrogen-bonded Turntrans-76.5-2.5172.9-630000115Q326 I327 A367 H371Q326-V369 HydrophobicContact CB-CG1 3.62Å; I327-V369 HydrophobicContact CG2-CG1 4.18Å; A367-V369 PolarHBondContact O-N 3.47Å; V369-H371 PolarHBondContact O-N 2.88Å
370K92.3Very high92.8Very high143 Ų14344 Ų4462%0.62223%0.231SC*.  trans-88.794.2-166.8-58.6178-179.1176.70111.7A367 G368 K372 V373 L374A367-K370 VanDerWaalsContact O-CB 3.31Å; A367-K370 WeakPolarHBondContact O-CB 3.29Å; A367-K370 PolarHBondContact O-N 2.92Å; G368-K370 VanDerWaalsContact C-N 3.28Å; G368-K370 PolarHBondContact O-N 3.25Å; K370-K372 VanDerWaalsContact C-N 3.29Å; K370-K372 PolarHBondContact O-N 3.16Å; K370-V373 HydrophobicContact CB-CB 4.19Å; K370-V373 HydrophobicContact CB-CG2 3.82Å; K370-V373 HydrophobicContact CD-CG2 4.45Å; K370-V373 WeakPolarHBondContact O-CA 3.36Å; K370-V373 WeakPolarHBondContact O-CB 3.47Å; K370-V373 PolarHBondContact O-N 2.93Å; K370-L374 PolarHBondContact O-N 3.19Å; K370-L374 VanDerWaalsContact O-N 3.07Å
371H92.4Very high92.8Very high37 Ų3746.3 Ų46.317%0.17125%0.246CC..Hα-helixtrans-55.5-37.1-176.375.4-68000114.1V369 V373 L374 L375 F423 A424 F427 E431V369-H371 PolarHBondContact O-N 2.88Å; H371-V373 PolarHBondContact O-N 3.47Å; H371-L374 WeakPolarHBondContact O-CB 3.32Å; H371-L374 PolarHBondContact O-N 3.29Å; H371-L375 WeakPolarHBondContact O-CB 3.33Å; H371-L375 PolarHBondContact O-N 2.71Å; H371-F423 HydrophobicContact CB-CD1 3.83Å; H371-F423 HydrophobicContact CB-CE1 3.95Å; H371-A424 HydrophobicContact CB-CB 3.74Å; H371-F427 AromaticContact CD2-CD2 3.53Å; H371-F427 AromaticContact NE2-CD2 3.97Å; H371-E431 IonicContact CD2-OE2 2.63Å; H371-E431 IonicContact CE1-OE2 2.7Å; H371-E431 IonicContact NE2-OE2 2.63Å; H371-E431 PolarHBondContact NE2-OE2 3.21Å
372K93.7Very high93Very high91 Ų9148 Ų4840%0.39625%0.252SS..Hα-helixtrans-65.2-24.7175.5-60.1-173.3-179-173.40113.7K370 E431 I435K370-K372 VanDerWaalsContact C-N 3.29Å; K370-K372 PolarHBondContact O-N 3.16Å; K372-E431 WeakPolarHBondContact CE-OE1 3.5Å; K372-E431 VanDerWaalsContact CE-OE2 3.26Å; K372-E431 WeakPolarHBondContact CE-OE2 3.5Å; K372-E431 IonicContact NZ-OE1 2.7Å; K372-E431 PolarHBondContact NZ-OE1 3.46Å; K372-E431 IonicContact NZ-OE2 3.76Å; K372-I435 HydrophobicContact CB-CD1 4.06Å; K372-I435 HydrophobicContact CG-CD1 4.17Å
373V93.6Very high93.2Very high47 Ų4745 Ų4529%0.28524%0.236SC..Hα-helixtrans-81.3-46.9172.4-176.50000109.6A367 K370 H371 L375 R376 R377A367-V373 HydrophobicContact CB-CB 4.15Å; A367-V373 HydrophobicContact CB-CG1 4.17Å; K370-V373 HydrophobicContact CB-CB 4.19Å; K370-V373 HydrophobicContact CB-CG2 3.82Å; K370-V373 HydrophobicContact CD-CG2 4.45Å; K370-V373 WeakPolarHBondContact O-CA 3.36Å; K370-V373 WeakPolarHBondContact O-CB 3.47Å; K370-V373 PolarHBondContact O-N 2.93Å; H371-V373 PolarHBondContact O-N 3.47Å; V373-L375 VanDerWaalsContact C-N 3.33Å; V373-L375 PolarHBondContact O-N 3.17Å; V373-R376 PolarHBondContact O-N 2.97Å; V373-R377 HydrophobicContact CG1-CG 4.46Å; V373-R377 WeakPolarHBondContact O-CG 3.19Å; V373-R377 PolarHBondContact O-N 3.29Å; V373-R377 VanDerWaalsContact O-N 3.11Å
374L95Very high93.1Very high0 Ų048.9 Ų48.90%026%0.257CS..Hα-helixtrans-51.8-50.9175.7176.461.9000111.4C363 H364 A367 K370 H371 R376 R377 L378 Y419 F423C363-L374 HydrophobicContact CB-CD1 3.97Å; H364-L374 VanDerWaalsContact CE1-CD1 3.5Å; H364-L374 WeakPolarHBondContact CE1-CD1 3.23Å; A367-L374 HydrophobicContact CB-CB 3.75Å; K370-L374 PolarHBondContact O-N 3.19Å; K370-L374 VanDerWaalsContact O-N 3.07Å; H371-L374 WeakPolarHBondContact O-CB 3.32Å; H371-L374 PolarHBondContact O-N 3.29Å; L374-R376 PolarHBondContact O-N 3.22Å; L374-R377 PolarHBondContact O-N 2.91Å; L374-R377 VanDerWaalsContact O-N 3.12Å; L374-L378 HydrophobicContact CD1-CD1 4.03Å; L374-L378 HydrophobicContact CD1-CG 4.11Å; L374-L378 HydrophobicContact CG-CD1 3.92Å; L374-L378 HydrophobicContact CG-CG 4.41Å; L374-L378 WeakPolarHBondContact O-CG 3.2Å; L374-L378 PolarHBondContact O-N 3.3Å; L374-Y419 HydrophobicContact CD2-CD1 4.44Å; L374-Y419 HydrophobicContact CD2-CE1 4.2Å; L374-F423 HydrophobicContact CD2-CB 4.06Å; L374-F423 HydrophobicContact CD2-CD1 3.6Å; L374-F423 HydrophobicContact CD2-CD2 3.74Å; L374-F423 HydrophobicContact CD2-CE1 3.9Å; L374-F423 HydrophobicContact CD2-CE2 4.02Å; L374-F423 HydrophobicContact CD2-CG 3.5Å; L374-F423 HydrophobicContact CD2-CZ 4.09Å
375L96Very high92.9Very high0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-55.2-49.2178.1173.163.4000112.5H371 V373 R377 L378 L379 V416 F427 M432 I435H371-L375 WeakPolarHBondContact O-CB 3.33Å; H371-L375 PolarHBondContact O-N 2.71Å; V373-L375 VanDerWaalsContact C-N 3.33Å; V373-L375 PolarHBondContact O-N 3.17Å; L375-R377 VanDerWaalsContact C-N 3.26Å; L375-R377 PolarHBondContact O-N 3.38Å; L375-L378 PolarHBondContact O-N 3.33Å; L375-L379 HydrophobicContact CD1-CD1 3.81Å; L375-L379 HydrophobicContact CD1-CG 3.93Å; L375-L379 HydrophobicContact CG-CD1 3.99Å; L375-L379 HydrophobicContact CG-CG 4.46Å; L375-L379 WeakPolarHBondContact O-CB 3.43Å; L375-L379 WeakPolarHBondContact O-CG 3.3Å; L375-L379 PolarHBondContact O-N 3.5Å; L375-V416 HydrophobicContact CD1-CG1 3.49Å; L375-V416 VanDerWaalsContact CD1-CG1 3.49Å; L375-F427 HydrophobicContact CD1-CZ 4.39Å; L375-F427 HydrophobicContact CD2-CE2 3.82Å; L375-F427 HydrophobicContact CD2-CZ 3.9Å; L375-M432 HydrophobicContact CD1-CG 4.13Å; L375-M432 HydrophobicContact CD2-CB 4.42Å; L375-M432 HydrophobicContact CD2-CG 4.34Å; L375-I435 HydrophobicContact CD2-CB 3.96Å; L375-I435 HydrophobicContact CD2-CD1 3.75Å; L375-I435 HydrophobicContact CD2-CG1 4.43Å; L375-I435 HydrophobicContact CD2-CG2 3.91Å; L375-I435 HydrophobicContact CG-CG2 4.17Å
376R95.8Very high92.9Very high112 Ų11253.2 Ų53.242%0.42327%0.272SS..Hα-helixtrans-58.8-38.9178.1-78.9179.4171.4141.7-7.3111.9V373 L374 A380 I435 D438 M439V373-R376 PolarHBondContact O-N 2.97Å; L374-R376 PolarHBondContact O-N 3.22Å; R376-A380 VanDerWaalsContact O-CB 3.24Å; R376-A380 WeakPolarHBondContact O-CB 3.27Å; R376-A380 PolarHBondContact O-N 2.85Å; R376-I435 HydrophobicContact CG-CG2 3.55Å; R376-D438 IonicContact NH2-OD2 2.64Å; R376-D438 PolarHBondContact NH2-OD2 3.13Å; R376-M439 HydrophobicContact CB-SD 4.24Å; R376-M439 HydrophobicContact CG-SD 4.01Å
377R95.3Very high93Very high75 Ų7552.5 Ų52.528%0.28327%0.265SS..Hα-helixtrans-77.6-34.4-177.8-59.2-169.688.4-115.5-6112.2N362 C363 C366 V373 L374 L375 T381N362-R377 VanDerWaalsContact C-NH1 3.27Å; N362-R377 PolarHBondContact O-NH1 3.5Å; N362-R377 VanDerWaalsContact OD1-CZ 3.29Å; N362-R377 PolarHBondContact OD1-NH1 3.14Å; N362-R377 PolarHBondContact OD1-NH2 2.89Å; C363-R377 HydrophobicContact CB-CB 4.33Å; C366-R377 PolarHBondContact SG-NH1 2.97Å; V373-R377 HydrophobicContact CG1-CG 4.46Å; V373-R377 WeakPolarHBondContact O-CG 3.19Å; V373-R377 PolarHBondContact O-N 3.29Å; V373-R377 VanDerWaalsContact O-N 3.11Å; L374-R377 PolarHBondContact O-N 2.91Å; L374-R377 VanDerWaalsContact O-N 3.12Å; L375-R377 VanDerWaalsContact C-N 3.26Å; L375-R377 PolarHBondContact O-N 3.38Å; R377-T381 PolarHBondContact O-N 2.8Å; R377-T381 VanDerWaalsContact O-N 3.11Å; R377-T381 PolarHBondContact O-OG1 3.37Å
378L96.4Very high93Very high0 Ų052.8 Ų52.80%027%0.266CS..Hα-helixtrans-62.7-52.5168.5-71.2171.9000110.9L347 I355 L360 C363 L374 L375 A380 T381 F382 V416 Y419L347-L378 HydrophobicContact CD1-CD2 4.03Å; I355-L378 HydrophobicContact CD1-CD2 4.12Å; L360-L378 HydrophobicContact CD1-CD2 3.81Å; C363-L378 HydrophobicContact CB-CD2 4.32Å; L374-L378 HydrophobicContact CD1-CD1 4.03Å; L374-L378 HydrophobicContact CD1-CG 4.11Å; L374-L378 HydrophobicContact CG-CD1 3.92Å; L374-L378 HydrophobicContact CG-CG 4.41Å; L374-L378 WeakPolarHBondContact O-CG 3.2Å; L374-L378 PolarHBondContact O-N 3.3Å; L375-L378 PolarHBondContact O-N 3.33Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.44Å; L378-T381 WeakPolarHBondContact O-CB 3.5Å; L378-T381 PolarHBondContact O-N 3.14Å; L378-F382 WeakPolarHBondContact O-CD2 3.28Å; L378-F382 PolarHBondContact O-N 3.08Å; L378-V416 HydrophobicContact CB-CG1 4Å; L378-V416 HydrophobicContact CB-CG2 4.28Å; L378-V416 HydrophobicContact CD1-CG1 4.28Å; L378-Y419 HydrophobicContact CD1-CD1 3.79Å; L378-Y419 HydrophobicContact CD1-CE1 4.46Å; L378-Y419 HydrophobicContact CD1-CG 4.44Å
379L96.1Very high92.8Very high2 Ų252 Ų521%0.0126%0.257CS..Hα-helixtrans-58-39.8177.8-71174.5000112.4L375 T381 F382 F383 L413 V416 I435 A436 M439L375-L379 HydrophobicContact CD1-CD1 3.81Å; L375-L379 HydrophobicContact CD1-CG 3.93Å; L375-L379 HydrophobicContact CG-CD1 3.99Å; L375-L379 HydrophobicContact CG-CG 4.46Å; L375-L379 WeakPolarHBondContact O-CB 3.43Å; L375-L379 WeakPolarHBondContact O-CG 3.3Å; L375-L379 PolarHBondContact O-N 3.5Å; L379-T381 VanDerWaalsContact C-N 3.26Å; L379-T381 PolarHBondContact O-N 2.96Å; L379-F382 PolarHBondContact O-N 3.44Å; L379-F383 HydrophobicContact CD2-CD2 4.03Å; L379-F383 HydrophobicContact CD2-CE2 3.86Å; L379-F383 WeakPolarHBondContact O-CB 3.5Å; L379-F383 PolarHBondContact O-N 3.27Å; L379-L413 HydrophobicContact CD2-CD2 3.98Å; L379-V416 HydrophobicContact CD2-CG1 4.19Å; L379-V416 HydrophobicContact CG-CG1 4.34Å; L379-I435 HydrophobicContact CD1-CG2 4.24Å; L379-A436 HydrophobicContact CD1-CB 4.37Å; L379-M439 HydrophobicContact CB-CE 3.77Å; L379-M439 HydrophobicContact CB-SD 3.92Å; L379-M439 HydrophobicContact CD1-SD 3.94Å
380A94.3Very high92.6Very high61 Ų6151.9 Ų51.950%0.50425%0.254SS..Hα-helixtrans-72.4-13.8175.900000114.3R376 L378 M439R376-A380 VanDerWaalsContact O-CB 3.24Å; R376-A380 WeakPolarHBondContact O-CB 3.27Å; R376-A380 PolarHBondContact O-N 2.85Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.44Å; A380-M439 HydrophobicContact CB-CE 4.05Å
381T95.3Very high92.4Very high49 Ų4945.3 Ų45.330%0.30123%0.226SC..Hα-helixtrans-82.5-34.6173.6-57.20000111.3I355 Q359 R377 L378 L379I355-T381 HydrophobicContact CD1-CG2 3.86Å; I355-T381 HydrophobicContact CG1-CG2 4.16Å; Q359-T381 HydrophobicContact CB-CG2 4.12Å; Q359-T381 HydrophobicContact CG-CG2 4.17Å; R377-T381 PolarHBondContact O-N 2.8Å; R377-T381 VanDerWaalsContact O-N 3.11Å; R377-T381 PolarHBondContact O-OG1 3.37Å; L378-T381 WeakPolarHBondContact O-CB 3.5Å; L378-T381 PolarHBondContact O-N 3.14Å; L379-T381 VanDerWaalsContact C-N 3.26Å; L379-T381 PolarHBondContact O-N 2.96Å
382F95Very high92Very high52 Ų5244.3 Ų44.323%0.22822%0.224CC..Hα-helixtrans-93.4-29.8179.5-62.5-72.9000114.5L347 V353 Y354 I355 L378 L379 V412 V416L347-F382 HydrophobicContact CD2-CE2 3.85Å; L347-F382 HydrophobicContact CD2-CZ 3.95Å; V353-F382 HydrophobicContact CG1-CD1 4.17Å; V353-F382 HydrophobicContact CG1-CE1 3.48Å; V353-F382 VanDerWaalsContact CG1-CE1 3.48Å; V353-F382 HydrophobicContact CG1-CE2 4.44Å; V353-F382 HydrophobicContact CG1-CZ 3.64Å; Y354-F382 WeakPolarHBondContact O-CE1 3.47Å; I355-F382 HydrophobicContact CB-CE1 4.45Å; I355-F382 HydrophobicContact CB-CZ 4.04Å; I355-F382 HydrophobicContact CD1-CE2 4.46Å; I355-F382 HydrophobicContact CD1-CZ 4.25Å; L378-F382 WeakPolarHBondContact O-CD2 3.28Å; L378-F382 PolarHBondContact O-N 3.08Å; L379-F382 PolarHBondContact O-N 3.44Å; F382-V412 HydrophobicContact CB-CG1 3.51Å; F382-V412 HydrophobicContact CD1-CG1 4.16Å; F382-V412 HydrophobicContact CD2-CG1 3.86Å; F382-V412 HydrophobicContact CG-CG1 3.58Å; F382-V416 HydrophobicContact CD2-CG2 3.82Å; F382-V416 HydrophobicContact CE2-CG2 3.74Å
383F94.9Very high91.5Very high13 Ų1340 Ų406%0.05721%0.205CC..SBendtrans-117.6112.3-175.5-56.9-58.7000111.5L379 T387 L388 L408 D409 V412 L413L379-F383 HydrophobicContact CD2-CD2 4.03Å; L379-F383 HydrophobicContact CD2-CE2 3.86Å; L379-F383 WeakPolarHBondContact O-CB 3.5Å; L379-F383 PolarHBondContact O-N 3.27Å; F383-T387 HydrophobicContact CD1-CG2 4.07Å; F383-L388 HydrophobicContact CB-CD1 4.45Å; F383-L388 HydrophobicContact CB-CD2 3.8Å; F383-L388 HydrophobicContact CB-CG 3.86Å; F383-L388 WeakPolarHBondContact O-CD1 3.45Å; F383-L408 HydrophobicContact CD1-CD2 3.94Å; F383-L408 HydrophobicContact CD2-CD1 4.05Å; F383-L408 HydrophobicContact CD2-CD2 4.31Å; F383-L408 HydrophobicContact CE1-CB 4.08Å; F383-L408 HydrophobicContact CE1-CD2 4.16Å; F383-L408 HydrophobicContact CE2-CB 4.14Å; F383-L408 HydrophobicContact CE2-CD1 4Å; F383-L408 HydrophobicContact CE2-CG 4.44Å; F383-L408 HydrophobicContact CG-CD2 4Å; F383-L408 HydrophobicContact CZ-CB 3.76Å; F383-L408 HydrophobicContact CZ-CD1 4.46Å; F383-L408 HydrophobicContact CZ-CD2 4.43Å; F383-L408 HydrophobicContact CZ-CG 4.43Å; F383-D409 HydrophobicContact CE1-CB 4.07Å; F383-D409 HydrophobicContact CZ-CB 4.3Å; F383-V412 HydrophobicContact CE1-CB 4.35Å; F383-V412 HydrophobicContact CE1-CG1 4.18Å; F383-V412 HydrophobicContact CE2-CB 4.45Å; F383-V412 HydrophobicContact CE2-CG1 3.76Å; F383-V412 HydrophobicContact CZ-CB 3.74Å; F383-V412 HydrophobicContact CZ-CG1 3.48Å; F383-V412 VanDerWaalsContact CZ-CG1 3.48Å; F383-L413 HydrophobicContact CE2-CD2 4.2Å
384D90.7Very high90.7Very high83 Ų8339.4 Ų39.444%0.44420%0.201SC..  trans-68.4165.2175.998-67.8000112.1N386 T387 L388D384-N386 PolarHBondContact O-N 3.11Å; D384-N386 WeakPolarHBondContact OD2-CA 3.18Å; D384-N386 WeakPolarHBondContact OD2-CB 3.24Å; D384-N386 PolarHBondContact OD2-N 2.82Å; D384-T387 PolarHBondContact O-N 2.88Å; D384-T387 WeakPolarHBondContact OD1-CB 3.43Å; D384-T387 PolarHBondContact OD1-N 3.36Å; D384-T387 PolarHBondContact OD1-OG1 3.46Å; D384-L388 WeakPolarHBondContact O-CG 3.45Å; D384-L388 PolarHBondContact O-N 3.37Å
385R88.4Confident89.3Confident108 Ų10841 Ų4141%0.40822%0.217SC..Hα-helixtrans-61.8-27.9-178.3-161.7174.5-162.6129.914.7113.2A389 A443R385-A389 WeakPolarHBondContact O-CB 3.28Å; R385-A389 PolarHBondContact O-N 3.26Å; R385-A389 VanDerWaalsContact O-N 3.17Å; R385-A443 HydrophobicContact CG-CB 4.16Å
386N87.4Confident87.6Confident67 Ų6746.4 Ų46.436%0.35825%0.245SC..Hα-helixtrans-70.3-50.6174.6-168.339.9000111.3D384 L388 A389 N390 R447D384-N386 PolarHBondContact O-N 3.11Å; D384-N386 WeakPolarHBondContact OD2-CA 3.18Å; D384-N386 WeakPolarHBondContact OD2-CB 3.24Å; D384-N386 PolarHBondContact OD2-N 2.82Å; N386-L388 PolarHBondContact O-N 2.95Å; N386-A389 PolarHBondContact O-N 3.12Å; N386-N390 VanDerWaalsContact O-CB 3.29Å; N386-N390 WeakPolarHBondContact O-CB 3.44Å; N386-N390 PolarHBondContact O-N 2.65Å; N386-N390 PolarHBondContact O-ND2 2.63Å; N386-N390 PolarHBondContact OD1-ND2 2.83Å; N386-R447 VanDerWaalsContact OD1-CZ 3.3Å; N386-R447 PolarHBondContact OD1-NH1 3.19Å; N386-R447 PolarHBondContact OD1-NH2 3.48Å
387T89.9Confident85.9Confident59 Ų5947.6 Ų47.636%0.36225%0.25SC..Hα-helixtrans-58.8-46.8178.1-59.30000111.1F383 D384 A389 N390 S391 L408F383-T387 HydrophobicContact CD1-CG2 4.07Å; D384-T387 PolarHBondContact O-N 2.88Å; D384-T387 WeakPolarHBondContact OD1-CB 3.43Å; D384-T387 PolarHBondContact OD1-N 3.36Å; D384-T387 PolarHBondContact OD1-OG1 3.46Å; T387-A389 PolarHBondContact O-N 3.3Å; T387-N390 PolarHBondContact O-N 2.98Å; T387-S391 WeakPolarHBondContact O-CB 3.49Å; T387-S391 PolarHBondContact O-N 2.9Å; T387-L408 HydrophobicContact CG2-CD2 3.98Å
388L90.6Very high84.1Confident13 Ų1347.5 Ų47.57%0.06826%0.26CS..Hα-helixtrans-59.5-45175.7-69.2170.4000112.5F383 D384 N386 N390 L408 M439 C440 A443F383-L388 HydrophobicContact CB-CD1 4.45Å; F383-L388 HydrophobicContact CB-CD2 3.8Å; F383-L388 HydrophobicContact CB-CG 3.86Å; F383-L388 WeakPolarHBondContact O-CD1 3.45Å; D384-L388 WeakPolarHBondContact O-CG 3.45Å; D384-L388 PolarHBondContact O-N 3.37Å; N386-L388 PolarHBondContact O-N 2.95Å; L388-N390 VanDerWaalsContact C-N 3.35Å; L388-N390 PolarHBondContact O-N 3.49Å; L388-L408 HydrophobicContact CD2-CD1 4.25Å; L388-L408 HydrophobicContact CD2-CD2 4.3Å; L388-M439 HydrophobicContact CD1-CE 4Å; L388-M439 HydrophobicContact CD2-CB 4.35Å; L388-C440 VanDerWaalsContact O-CA 3.32Å; L388-C440 WeakPolarHBondContact O-CA 3.17Å; L388-C440 WeakPolarHBondContact O-CB 3.49Å; L388-C440 PolarHBondContact O-SG 2.9Å; L388-A443 HydrophobicContact CB-CB 3.9Å
389A86.4Confident82Confident2 Ų253.7 Ų53.72%0.01730%0.304CS..Hα-helixtrans-68.2-35.1178.900000112.8R385 N386 T387 R405 A443 R444R385-A389 WeakPolarHBondContact O-CB 3.28Å; R385-A389 PolarHBondContact O-N 3.26Å; R385-A389 VanDerWaalsContact O-N 3.17Å; N386-A389 PolarHBondContact O-N 3.12Å; T387-A389 PolarHBondContact O-N 3.3Å; A389-R405 PolarHBondContact O-NH1 3.29Å; A389-A443 HydrophobicContact CB-CB 3.89Å; A389-R444 HydrophobicContact CB-CG 4.38Å; A389-R444 VanDerWaalsContact O-CG 3.31Å; A389-R444 WeakPolarHBondContact O-CG 3.35Å
390N86Confident80.2Confident75 Ų7559.8 Ų59.840%0.40134%0.342SS..Hα-helixtrans-83.4-16.4-177-64.4-11.5000113.1N386 T387 L388 R405 R447N386-N390 VanDerWaalsContact O-CB 3.29Å; N386-N390 WeakPolarHBondContact O-CB 3.44Å; N386-N390 PolarHBondContact O-N 2.65Å; N386-N390 PolarHBondContact O-ND2 2.63Å; N386-N390 PolarHBondContact OD1-ND2 2.83Å; T387-N390 PolarHBondContact O-N 2.98Å; L388-N390 VanDerWaalsContact C-N 3.35Å; L388-N390 PolarHBondContact O-N 3.49Å; N390-R405 VanDerWaalsContact O-CB 3.28Å; N390-R405 WeakPolarHBondContact O-CB 3.48Å; N390-R405 WeakPolarHBondContact O-CD 3.46Å; N390-R405 VanDerWaalsContact O-CG 3.24Å; N390-R405 WeakPolarHBondContact O-CG 3.32Å; N390-R447 PolarHBondContact OD1-NH1 2.95Å
391S86.3Confident78.5Confident5 Ų558.6 Ų58.64%0.03533%0.329CS..SBendtrans-90.1153.5-179.4-176.20000114.1T387 G393 K406 P407 L408 R444T387-S391 WeakPolarHBondContact O-CB 3.49Å; T387-S391 PolarHBondContact O-N 2.9Å; S391-G393 VanDerWaalsContact C-N 3.25Å; S391-G393 PolarHBondContact OG-N 3.27Å; S391-K406 WeakPolarHBondContact CA-O 3.47Å; S391-K406 WeakPolarHBondContact CB-O 3.42Å; S391-K406 PolarHBondContact OG-O 3.37Å; S391-P407 VanDerWaalsContact OG-C 3.26Å; S391-L408 WeakPolarHBondContact OG-CG 3.19Å; S391-L408 PolarHBondContact OG-N 3.36Å; S391-L408 VanDerWaalsContact OG-N 3.09Å; S391-R444 PolarHBondContact O-NH1 3.39Å
392C83.9Confident76.9Confident17 Ų1759 Ų5912%0.11533%0.329CS..  trans-78.5-1.8166.260.50000113.9R405 K406 P407C392-R405 HydrophobicContact CB-CB 4.13Å; C392-R405 PolarHBondContact SG-O 3.33Å; C392-R405 VanDerWaalsContact SG-O 3.41Å; C392-K406 PolarHBondContact N-O 2.97Å; C392-K406 VanDerWaalsContact N-O 3.16Å; C392-P407 VanDerWaalsContact SG-CA 3.53Å
393G84.2Confident75.5Confident1 Ų161.3 Ų61.31%0.0135%0.35CS..SBendtrans93.1-136-174.800000111S391 G395 P407 L408S391-G393 VanDerWaalsContact C-N 3.25Å; S391-G393 PolarHBondContact OG-N 3.27Å; G393-G395 PolarHBondContact O-N 2.91Å; G393-P407 CarbonylContact O-C 3.2Å; G393-P407 WeakPolarHBondContact O-CA 3.32Å; G393-L408 PolarHBondContact O-N 2.94Å
394T76.1Confident74.3Confident33 Ų3365.2 Ų65.220%0.20238%0.379CS..SBendtrans-798.8-175.858.50000114.7L413 N433 A436T394-L413 HydrophobicContact CG2-CD1 3.8Å; T394-L413 HydrophobicContact CG2-CD2 4.04Å; T394-N433 WeakPolarHBondContact CB-OD1 3.22Å; T394-N433 VanDerWaalsContact CG2-OD1 3.28Å; T394-N433 WeakPolarHBondContact CG2-OD1 3.41Å; T394-N433 PolarHBondContact OG1-OD1 2.8Å; T394-A436 HydrophobicContact CG2-CB 3.81Å
395G66.9Low73.7Confident33 Ų3364.6 Ų64.634%0.3437%0.37SS..SBendtrans91.1-13.2178.900000115.1G393 R397G393-G395 PolarHBondContact O-N 2.91Å; G395-R397 PolarHBondContact O-N 3.25Å
396I60.4Low73.5Confident114 Ų11467.6 Ų67.659%0.58539%0.386SS*.  trans-67.998.4169.9-55.1-179.9000108.4S398 N433I396-S398 PolarHBondContact O-N 3.46Å; I396-N433 HydrophobicContact CD1-CB 4.29Å; I396-N433 WeakPolarHBondContact CD1-ND2 3.42Å
397R58.8Low73.4Confident138 Ų13868.2 Ų68.252%0.52139%0.394SS..  trans-72107.1-175.6-67.9-174.5176.6-80.911.5111G395 P403G395-R397 PolarHBondContact O-N 3.25Å; R397-P403 PolarHBondContact NH1-O 3.36Å; R397-P403 PolarHBondContact NH2-O 2.89Å
398S57.3Low73.4Confident72 Ų7265.8 Ų65.850%0.50338%0.379SS..  trans-61.2147.3159.3-440000109.8I396 T400 S401I396-S398 PolarHBondContact O-N 3.46Å; S398-T400 PolarHBondContact O-N 2.99Å; S398-S401 VanDerWaalsContact O-CB 3.28Å; S398-S401 WeakPolarHBondContact O-CB 3.49Å; S398-S401 PolarHBondContact O-N 3.44Å; S398-S401 PolarHBondContact O-OG 3.4Å
399S53.3Low73.5Confident131 Ų13169.1 Ų69.192%0.91640%0.396SS*.THydrogen-bonded Turntrans-58.6-18.8179.151.10000114.4
400T57Low73.7Confident130 Ų13072.9 Ų72.980%0.79842%0.423SS*.THydrogen-bonded Turntrans-94.57.6176.255.20000114S398S398-T400 PolarHBondContact O-N 2.99Å
401S60.1Low74.1Confident35 Ų3576.6 Ų76.625%0.24543%0.431CS..SBendtrans-88.7124.8-176.868.10000113.1S398S398-S401 VanDerWaalsContact O-CB 3.28Å; S398-S401 WeakPolarHBondContact O-CB 3.49Å; S398-S401 PolarHBondContact O-N 3.44Å; S398-S401 PolarHBondContact O-OG 3.4Å
402D61.6Low74.5Confident57 Ų5777.2 Ų77.231%0.30544%0.435SS..  trans-53.8119.5174.2168.8-3.8000111.1S404 R405D402-S404 PolarHBondContact O-N 3.12Å; D402-S404 WeakPolarHBondContact OD1-CB 3.3Å; D402-S404 PolarHBondContact OD1-N 3.42Å; D402-S404 VanDerWaalsContact OD1-N 3.1Å; D402-S404 PolarHBondContact OD1-OG 3.25Å; D402-S404 PolarHBondContact OD2-OG 3.07Å; D402-R405 HydrophobicContact CB-CG 4.06Å; D402-R405 PolarHBondContact O-N 3.11Å; D402-R405 IonicContact OD2-CZ 3.28Å; D402-R405 IonicContact OD2-NE 3.14Å; D402-R405 PolarHBondContact OD2-NE 3.01Å; D402-R405 IonicContact OD2-NH2 3.81Å; D402-R405 PolarHBondContact OD2-NH2 3.49Å
403P64.3Low75Confident101 Ų10177 Ų7766%0.65643%0.432SS*.THydrogen-bonded Turntrans-64.7-26.3-169.324.2-33.6000113.4R397 R405R397-P403 PolarHBondContact NH1-O 3.36Å; R397-P403 PolarHBondContact NH2-O 2.89Å; P403-R405 PolarHBondContact O-N 3.2Å
404S71.6Confident75.5Confident95 Ų9580.8 Ų80.866%0.66445%0.453SS*.THydrogen-bonded Turntrans-70-16.4-177.671.30000114.4D402D402-S404 PolarHBondContact O-N 3.12Å; D402-S404 WeakPolarHBondContact OD1-CB 3.3Å; D402-S404 PolarHBondContact OD1-N 3.42Å; D402-S404 VanDerWaalsContact OD1-N 3.1Å; D402-S404 PolarHBondContact OD1-OG 3.25Å; D402-S404 PolarHBondContact OD2-OG 3.07Å
405R77.9Confident76.4Confident70 Ų7079.4 Ų79.426%0.26445%0.445SS..PPolyproline II helixtrans-78.8124.7-173.4-63.1-172.4-170.1-89.6-35.1111.6A389 N390 C392 D402 P403A389-R405 PolarHBondContact O-NH1 3.29Å; N390-R405 VanDerWaalsContact O-CB 3.28Å; N390-R405 WeakPolarHBondContact O-CB 3.48Å; N390-R405 WeakPolarHBondContact O-CD 3.46Å; N390-R405 VanDerWaalsContact O-CG 3.24Å; N390-R405 WeakPolarHBondContact O-CG 3.32Å; C392-R405 HydrophobicContact CB-CB 4.13Å; C392-R405 PolarHBondContact SG-O 3.33Å; C392-R405 VanDerWaalsContact SG-O 3.41Å; D402-R405 HydrophobicContact CB-CG 4.06Å; D402-R405 PolarHBondContact O-N 3.11Å; D402-R405 IonicContact OD2-CZ 3.28Å; D402-R405 IonicContact OD2-NE 3.14Å; D402-R405 PolarHBondContact OD2-NE 3.01Å; D402-R405 IonicContact OD2-NH2 3.81Å; D402-R405 PolarHBondContact OD2-NH2 3.49Å; P403-R405 PolarHBondContact O-N 3.2Å
406K83.1Confident77.8Confident172 Ų17277.9 Ų77.975%0.74843%0.428SS*.PPolyproline II helixtrans-70.4147.9174.2-64-175179.1-176.70110.9S391 C392S391-K406 WeakPolarHBondContact CA-O 3.47Å; S391-K406 WeakPolarHBondContact CB-O 3.42Å; S391-K406 PolarHBondContact OG-O 3.37Å; C392-K406 PolarHBondContact N-O 2.97Å; C392-K406 VanDerWaalsContact N-O 3.16Å
407P85.6Confident79.5Confident80 Ų8073.9 Ų73.952%0.51941%0.407SS..PPolyproline II helixtrans-64.7164.3168.829.9-35.5000111.1S391 C392 G393S391-P407 VanDerWaalsContact OG-C 3.26Å; C392-P407 VanDerWaalsContact SG-CA 3.53Å; G393-P407 CarbonylContact O-C 3.2Å; G393-P407 WeakPolarHBondContact O-CA 3.32Å
408L90.1Very high81.1Confident7 Ų771 Ų714%0.03740%0.402CS..PPolyproline II helixtrans-65.9159.5166.7-63.5175.4000109.8F383 T387 L388 S391 G393 S410 L413 A436F383-L408 HydrophobicContact CD1-CD2 3.94Å; F383-L408 HydrophobicContact CD2-CD1 4.05Å; F383-L408 HydrophobicContact CD2-CD2 4.31Å; F383-L408 HydrophobicContact CE1-CB 4.08Å; F383-L408 HydrophobicContact CE1-CD2 4.16Å; F383-L408 HydrophobicContact CE2-CB 4.14Å; F383-L408 HydrophobicContact CE2-CD1 4Å; F383-L408 HydrophobicContact CE2-CG 4.44Å; F383-L408 HydrophobicContact CG-CD2 4Å; F383-L408 HydrophobicContact CZ-CB 3.76Å; F383-L408 HydrophobicContact CZ-CD1 4.46Å; F383-L408 HydrophobicContact CZ-CD2 4.43Å; F383-L408 HydrophobicContact CZ-CG 4.43Å; T387-L408 HydrophobicContact CG2-CD2 3.98Å; L388-L408 HydrophobicContact CD2-CD1 4.25Å; L388-L408 HydrophobicContact CD2-CD2 4.3Å; S391-L408 WeakPolarHBondContact OG-CG 3.19Å; S391-L408 PolarHBondContact OG-N 3.36Å; S391-L408 VanDerWaalsContact OG-N 3.09Å; G393-L408 PolarHBondContact O-N 2.94Å; L408-S410 PolarHBondContact O-N 3.48Å; L408-S410 VanDerWaalsContact O-N 3.14Å; L408-L413 HydrophobicContact CB-CD1 4.01Å; L408-L413 HydrophobicContact CB-CD2 4.5Å; L408-L413 HydrophobicContact CB-CG 4.28Å; L408-L413 HydrophobicContact CD1-CD2 4.35Å; L408-A436 HydrophobicContact CD1-CB 4.44Å
409D92.4Very high83Confident83 Ų8367.9 Ų67.944%0.44438%0.379SS..PPolyproline II helixtrans-60.5117.4-179.3-172.2-45.7000110.9F383 R411 V412 L413F383-D409 HydrophobicContact CE1-CB 4.07Å; F383-D409 HydrophobicContact CZ-CB 4.3Å; D409-R411 VanDerWaalsContact C-N 3.3Å; D409-R411 PolarHBondContact O-N 3.46Å; D409-R411 WeakPolarHBondContact OD1-CA 3.31Å; D409-R411 WeakPolarHBondContact OD1-CB 3.31Å; D409-R411 PolarHBondContact OD1-N 3.26Å; D409-V412 HydrophobicContact CB-CB 4.13Å; D409-V412 HydrophobicContact CB-CG2 3.96Å; D409-V412 PolarHBondContact O-N 2.8Å; D409-V412 PolarHBondContact OD1-N 3.43Å; D409-L413 WeakPolarHBondContact O-CG 3.32Å; D409-L413 PolarHBondContact O-N 2.89Å
410S91.6Very high84.9Confident82 Ų8261.7 Ų61.757%0.57334%0.335SS*.Hα-helixtrans-68.9-25.7-176.455.80000113.4L408 N414L408-S410 PolarHBondContact O-N 3.48Å; L408-S410 VanDerWaalsContact O-N 3.14Å; S410-N414 VanDerWaalsContact O-CB 3.3Å; S410-N414 WeakPolarHBondContact O-CB 3.21Å; S410-N414 VanDerWaalsContact O-CG 3.29Å; S410-N414 PolarHBondContact O-N 3.27Å; S410-N414 PolarHBondContact O-ND2 2.74Å; S410-N414 VanDerWaalsContact O-ND2 3.13Å
411R93.8Very high86.7Confident152 Ų15258.9 Ų58.957%0.57431%0.313SS*.Hα-helixtrans-67.9-47173.5-168-166.9-59.1-169.7-1.6109.9S351 V353 D409 N414 A415S351-R411 VanDerWaalsContact O-CD 3.3Å; S351-R411 WeakPolarHBondContact O-CD 3.36Å; S351-R411 WeakPolarHBondContact O-CG 3.34Å; V353-R411 HydrophobicContact CG2-CG 3.85Å; D409-R411 VanDerWaalsContact C-N 3.3Å; D409-R411 PolarHBondContact O-N 3.46Å; D409-R411 WeakPolarHBondContact OD1-CA 3.31Å; D409-R411 WeakPolarHBondContact OD1-CB 3.31Å; D409-R411 PolarHBondContact OD1-N 3.26Å; R411-N414 PolarHBondContact O-N 2.95Å; R411-A415 WeakPolarHBondContact O-CB 3.3Å; R411-A415 PolarHBondContact O-N 2.72Å
412V94.8Very high88.2Confident19 Ų1961.2 Ų61.212%0.11532%0.323CS..Hα-helixtrans-63.1-46.2176.1176.10000111V353 F382 F383 D409 N414 A415 V416V353-V412 HydrophobicContact CG1-CG2 4.39Å; V353-V412 HydrophobicContact CG2-CG2 4.27Å; F382-V412 HydrophobicContact CB-CG1 3.51Å; F382-V412 HydrophobicContact CD1-CG1 4.16Å; F382-V412 HydrophobicContact CD2-CG1 3.86Å; F382-V412 HydrophobicContact CG-CG1 3.58Å; F383-V412 HydrophobicContact CE1-CB 4.35Å; F383-V412 HydrophobicContact CE1-CG1 4.18Å; F383-V412 HydrophobicContact CE2-CB 4.45Å; F383-V412 HydrophobicContact CE2-CG1 3.76Å; F383-V412 HydrophobicContact CZ-CB 3.74Å; F383-V412 HydrophobicContact CZ-CG1 3.48Å; F383-V412 VanDerWaalsContact CZ-CG1 3.48Å; D409-V412 HydrophobicContact CB-CB 4.13Å; D409-V412 HydrophobicContact CB-CG2 3.96Å; D409-V412 PolarHBondContact O-N 2.8Å; D409-V412 PolarHBondContact OD1-N 3.43Å; V412-N414 PolarHBondContact O-N 3Å; V412-A415 PolarHBondContact O-N 2.95Å; V412-V416 HydrophobicContact CG1-CG2 4.39Å; V412-V416 WeakPolarHBondContact O-CB 3.4Å; V412-V416 WeakPolarHBondContact O-CG2 3.47Å; V412-V416 PolarHBondContact O-N 3.46Å
413L94.2Very high89.7Confident12 Ų1259.1 Ų59.16%0.06331%0.311CS..Hα-helixtrans-58.7-44.8176-72.6173.8000112.1L379 F383 T394 L408 D409 V416 K417 M432L379-L413 HydrophobicContact CD2-CD2 3.98Å; F383-L413 HydrophobicContact CE2-CD2 4.2Å; T394-L413 HydrophobicContact CG2-CD1 3.8Å; T394-L413 HydrophobicContact CG2-CD2 4.04Å; L408-L413 HydrophobicContact CB-CD1 4.01Å; L408-L413 HydrophobicContact CB-CD2 4.5Å; L408-L413 HydrophobicContact CB-CG 4.28Å; L408-L413 HydrophobicContact CD1-CD2 4.35Å; D409-L413 WeakPolarHBondContact O-CG 3.32Å; D409-L413 PolarHBondContact O-N 2.89Å; L413-V416 PolarHBondContact O-N 2.9Å; L413-K417 VanDerWaalsContact O-CB 3.27Å; L413-K417 WeakPolarHBondContact O-CB 3.46Å; L413-K417 PolarHBondContact O-N 3.45Å; L413-M432 HydrophobicContact CB-CE 4.25Å; L413-M432 HydrophobicContact CD2-CE 4.47Å; L413-M432 HydrophobicContact CD2-SD 4.48Å
414N94.4Very high91Very high81 Ų8155 Ų5543%0.43329%0.286SS..Hα-helixtrans-66.7-40178.7-79-33.8000112.7S410 R411 V412 K417 L418S410-N414 VanDerWaalsContact O-CB 3.3Å; S410-N414 WeakPolarHBondContact O-CB 3.21Å; S410-N414 VanDerWaalsContact O-CG 3.29Å; S410-N414 PolarHBondContact O-N 3.27Å; S410-N414 PolarHBondContact O-ND2 2.74Å; S410-N414 VanDerWaalsContact O-ND2 3.13Å; R411-N414 PolarHBondContact O-N 2.95Å; V412-N414 PolarHBondContact O-N 3Å; N414-K417 PolarHBondContact O-N 3.14Å; N414-K417 PolarHBondContact OD1-NZ 3.03Å; N414-L418 WeakPolarHBondContact O-CB 3.22Å; N414-L418 PolarHBondContact O-N 3.37Å
415A96.1Very high91.8Very high4 Ų455.2 Ų55.23%0.03329%0.285CS..Hα-helixtrans-63.6-45175.200000111.8L347 V348 V353 R411 V412 Y419L347-A415 HydrophobicContact CD2-CB 4.12Å; V348-A415 WeakPolarHBondContact CG2-O 3.42Å; V353-A415 HydrophobicContact CB-CB 3.75Å; V353-A415 HydrophobicContact CG1-CB 4.06Å; V353-A415 HydrophobicContact CG2-CB 3.73Å; R411-A415 WeakPolarHBondContact O-CB 3.3Å; R411-A415 PolarHBondContact O-N 2.72Å; V412-A415 PolarHBondContact O-N 2.95Å; A415-Y419 WeakPolarHBondContact O-CB 3.25Å; A415-Y419 PolarHBondContact O-N 2.77Å
416V95.9Very high92.3Very high0 Ų056.4 Ų56.40%030%0.304CS..Hα-helixtrans-66.1-37.7176.5172.50000111.5L347 L375 L378 L379 F382 V412 L413 C420L347-V416 HydrophobicContact CD2-CG2 3.78Å; L375-V416 HydrophobicContact CD1-CG1 3.49Å; L375-V416 VanDerWaalsContact CD1-CG1 3.49Å; L378-V416 HydrophobicContact CB-CG1 4Å; L378-V416 HydrophobicContact CB-CG2 4.28Å; L378-V416 HydrophobicContact CD1-CG1 4.28Å; L379-V416 HydrophobicContact CD2-CG1 4.19Å; L379-V416 HydrophobicContact CG-CG1 4.34Å; F382-V416 HydrophobicContact CD2-CG2 3.82Å; F382-V416 HydrophobicContact CE2-CG2 3.74Å; V412-V416 HydrophobicContact CG1-CG2 4.39Å; V412-V416 WeakPolarHBondContact O-CB 3.4Å; V412-V416 WeakPolarHBondContact O-CG2 3.47Å; V412-V416 PolarHBondContact O-N 3.46Å; L413-V416 PolarHBondContact O-N 2.9Å; V416-C420 WeakPolarHBondContact O-CB 3.42Å; V416-C420 PolarHBondContact O-N 2.81Å; V416-C420 PolarHBondContact O-SG 2.92Å
417K94.8Very high92.8Very high31 Ų3148.5 Ų48.514%0.13527%0.269CS..Hα-helixtrans-58.1-57.6174.4-178.7172.265-175.50110.9L413 N414 Y419 C420 Q421 F427 E429 M432L413-K417 VanDerWaalsContact O-CB 3.27Å; L413-K417 WeakPolarHBondContact O-CB 3.46Å; L413-K417 PolarHBondContact O-N 3.45Å; N414-K417 PolarHBondContact O-N 3.14Å; N414-K417 PolarHBondContact OD1-NZ 3.03Å; K417-Y419 VanDerWaalsContact C-N 3.31Å; K417-Y419 PolarHBondContact O-N 3.39Å; K417-C420 PolarHBondContact O-N 3.41Å; K417-C420 VanDerWaalsContact O-N 3.1Å; K417-Q421 HydrophobicContact CG-CG 4.47Å; K417-Q421 WeakPolarHBondContact O-CG 3.46Å; K417-Q421 PolarHBondContact O-N 2.99Å; K417-F427 HydrophobicContact CG-CE1 4.42Å; K417-E429 HydrophobicContact CD-CB 4.06Å; K417-E429 HydrophobicContact CD-CG 3.93Å; K417-E429 WeakPolarHBondContact CD-OE1 3.34Å; K417-E429 WeakPolarHBondContact CD-OE2 3.3Å; K417-E429 IonicContact NZ-OE1 2.63Å; K417-E429 PolarHBondContact NZ-OE1 2.89Å; K417-E429 IonicContact NZ-OE2 3.55Å; K417-E429 PolarHBondContact NZ-OE2 3.09Å; K417-M432 HydrophobicContact CB-CE 3.99Å; K417-M432 HydrophobicContact CB-SD 3.75Å; K417-M432 HydrophobicContact CD-CE 4.13Å; K417-M432 HydrophobicContact CG-CE 4.39Å; K417-M432 HydrophobicContact CG-SD 4.41Å
418L94.3Very high93Very high78 Ų7851.5 Ų51.541%0.40827%0.274SS..Hα-helixtrans-63.3-37.4-177.1-176.452.6000111.7V348 N414 C420 Q421 N422V348-L418 HydrophobicContact CG1-CD2 3.83Å; V348-L418 HydrophobicContact CG1-CG 4.14Å; V348-L418 HydrophobicContact CG2-CB 4.44Å; V348-L418 HydrophobicContact CG2-CG 4.49Å; N414-L418 WeakPolarHBondContact O-CB 3.22Å; N414-L418 PolarHBondContact O-N 3.37Å; L418-C420 PolarHBondContact O-N 2.72Å; L418-Q421 PolarHBondContact O-N 3.32Å; L418-N422 PolarHBondContact O-N 2.67Å
419Y95.6Very high93Very high6 Ų655 Ų552%0.02429%0.29CS..Hα-helixtrans-58.9-46.5171.6-165.7-83.1000112.6C331 H332 L347 V348 L360 H364 L374 L378 A415 K417 N422 F423C331-Y419 WeakPolarHBondContact CA-OH 3.46Å; C331-Y419 WeakPolarHBondContact CB-OH 3.17Å; H332-Y419 HydrophobicContact CB-CE2 4.15Å; H332-Y419 PolarHBondContact N-OH 3.19Å; H332-Y419 VanDerWaalsContact N-OH 3.11Å; L347-Y419 HydrophobicContact CD1-CD2 3.59Å; L347-Y419 HydrophobicContact CD1-CE2 4.02Å; L347-Y419 HydrophobicContact CD1-CG 3.89Å; L347-Y419 HydrophobicContact CG-CD2 3.84Å; L347-Y419 HydrophobicContact CG-CG 4.14Å; L347-Y419 WeakPolarHBondContact O-CD2 3.36Å; V348-Y419 HydrophobicContact CG2-CD2 4.15Å; L360-Y419 HydrophobicContact CD1-CE1 4.38Å; L360-Y419 HydrophobicContact CD1-CE2 4.41Å; L360-Y419 HydrophobicContact CD2-CE2 4.44Å; H364-Y419 AromaticContact CE1-CE1 3.7Å; H364-Y419 AromaticContact NE2-CE1 3.62Å; H364-Y419 AromaticContact NE2-CZ 3.64Å; H364-Y419 PolarHBondContact NE2-OH 3.3Å; L374-Y419 HydrophobicContact CD2-CD1 4.44Å; L374-Y419 HydrophobicContact CD2-CE1 4.2Å; L378-Y419 HydrophobicContact CD1-CD1 3.79Å; L378-Y419 HydrophobicContact CD1-CE1 4.46Å; L378-Y419 HydrophobicContact CD1-CG 4.44Å; A415-Y419 WeakPolarHBondContact O-CB 3.25Å; A415-Y419 PolarHBondContact O-N 2.77Å; K417-Y419 VanDerWaalsContact C-N 3.31Å; K417-Y419 PolarHBondContact O-N 3.39Å; Y419-N422 PolarHBondContact O-N 2.97Å; Y419-F423 WeakPolarHBondContact O-CB 3.33Å; Y419-F423 PolarHBondContact O-N 3.28Å; Y419-F423 VanDerWaalsContact O-N 3.11Å
420C94.7Very high92.9Very high0 Ų054.4 Ų54.40%029%0.293CS..Hα-helixtrans-71.8-29.1-179.9-66.60000112.7V416 K417 L418 A424 F427V416-C420 WeakPolarHBondContact O-CB 3.42Å; V416-C420 PolarHBondContact O-N 2.81Å; V416-C420 PolarHBondContact O-SG 2.92Å; K417-C420 PolarHBondContact O-N 3.41Å; K417-C420 VanDerWaalsContact O-N 3.1Å; L418-C420 PolarHBondContact O-N 2.72Å; C420-A424 PolarHBondContact O-N 3.45Å; C420-F427 HydrophobicContact CB-CD1 3.47Å; C420-F427 VanDerWaalsContact CB-CD1 3.47Å; C420-F427 HydrophobicContact CB-CE1 3.33Å; C420-F427 HydrophobicContact CB-CG 4.2Å; C420-F427 HydrophobicContact CB-CZ 3.93Å
421Q93.4Very high92.8Very high71 Ų7152.8 Ų52.833%0.33228%0.276SS..Hα-helixtrans-68.4-42.2173.1-71.3179.2-54.600111.7K417 L418 F423 A424 P425 F427K417-Q421 HydrophobicContact CG-CG 4.47Å; K417-Q421 WeakPolarHBondContact O-CG 3.46Å; K417-Q421 PolarHBondContact O-N 2.99Å; L418-Q421 PolarHBondContact O-N 3.32Å; Q421-F423 VanDerWaalsContact C-N 3.33Å; Q421-F423 PolarHBondContact O-N 2.94Å; Q421-A424 CarbonylContact O-C 3.55Å; Q421-A424 PolarHBondContact O-N 3.35Å; Q421-P425 WeakPolarHBondContact O-CA 3.35Å; Q421-F427 HydrophobicContact CG-CD1 3.75Å; Q421-F427 HydrophobicContact CG-CE1 4.4Å
422N91.9Very high92.8Very high85 Ų8545.6 Ų45.646%0.45525%0.249SC..Hα-helixtrans-61.8-43.1174-70-16.6000111.5R330 L418 Y419R330-N422 WeakPolarHBondContact CB-O 3.33Å; L418-N422 PolarHBondContact O-N 2.67Å; Y419-N422 PolarHBondContact O-N 2.97Å
423F92.8Very high92.7Very high13 Ų1346.2 Ų46.26%0.05725%0.252CS..Hα-helixtrans-62-47.9176.6-177.2-99.8000113I327 R330 C331 H364 G368 H371 L374 Y419 Q421I327-F423 HydrophobicContact CB-CE2 4.01Å; I327-F423 HydrophobicContact CG2-CE2 3.61Å; I327-F423 HydrophobicContact CG2-CZ 3.84Å; R330-F423 WeakPolarHBondContact CD-O 3.22Å; C331-F423 VanDerWaalsContact SG-CD2 3.53Å; H364-F423 AromaticContact ND1-CE2 3.92Å; G368-F423 WeakPolarHBondContact O-CZ 3.1Å; H371-F423 HydrophobicContact CB-CD1 3.83Å; H371-F423 HydrophobicContact CB-CE1 3.95Å; L374-F423 HydrophobicContact CD2-CB 4.06Å; L374-F423 HydrophobicContact CD2-CD1 3.6Å; L374-F423 HydrophobicContact CD2-CD2 3.74Å; L374-F423 HydrophobicContact CD2-CE1 3.9Å; L374-F423 HydrophobicContact CD2-CE2 4.02Å; L374-F423 HydrophobicContact CD2-CG 3.5Å; L374-F423 HydrophobicContact CD2-CZ 4.09Å; Y419-F423 WeakPolarHBondContact O-CB 3.33Å; Y419-F423 PolarHBondContact O-N 3.28Å; Y419-F423 VanDerWaalsContact O-N 3.11Å; Q421-F423 VanDerWaalsContact C-N 3.33Å; Q421-F423 PolarHBondContact O-N 2.94Å
424A92.6Very high92.6Very high15 Ų1550.6 Ų50.612%0.12428%0.279CS..  trans-136.998-178.600000110H371 C420 Q421 S426 F427H371-A424 HydrophobicContact CB-CB 3.74Å; C420-A424 PolarHBondContact O-N 3.45Å; Q421-A424 CarbonylContact O-C 3.55Å; Q421-A424 PolarHBondContact O-N 3.35Å; A424-S426 PolarHBondContact O-N 3.45Å; A424-F427 HydrophobicContact CB-CB 4.45Å; A424-F427 WeakPolarHBondContact O-CB 3.45Å; A424-F427 PolarHBondContact O-N 2.93Å
425P88.9Confident92.5Very high99 Ų9947.3 Ų47.364%0.64326%0.261SS*.THydrogen-bonded Turntrans-59.2-19.1-175.4-29.537.1000115.8Q421 F427Q421-P425 WeakPolarHBondContact O-CA 3.35Å; P425-F427 VanDerWaalsContact C-N 3.3Å
426S87.2Confident92.4Very high95 Ų9547.1 Ų47.166%0.66426%0.26SS*.THydrogen-bonded Turntrans-79.8-5.3174.353.60000114.5A424 K428A424-S426 PolarHBondContact O-N 3.45Å; S426-K428 PolarHBondContact O-N 3.14Å
427F93.4Very high92.1Very high5 Ų549 Ų492%0.02228%0.275CS..  trans-69.7120.4-179.1170.8-117.1000112.2H371 L375 K417 C420 Q421 A424 P425 E431 M432H371-F427 AromaticContact CD2-CD2 3.53Å; H371-F427 AromaticContact NE2-CD2 3.97Å; L375-F427 HydrophobicContact CD1-CZ 4.39Å; L375-F427 HydrophobicContact CD2-CE2 3.82Å; L375-F427 HydrophobicContact CD2-CZ 3.9Å; K417-F427 HydrophobicContact CG-CE1 4.42Å; C420-F427 HydrophobicContact CB-CD1 3.47Å; C420-F427 VanDerWaalsContact CB-CD1 3.47Å; C420-F427 HydrophobicContact CB-CE1 3.33Å; C420-F427 HydrophobicContact CB-CG 4.2Å; C420-F427 HydrophobicContact CB-CZ 3.93Å; Q421-F427 HydrophobicContact CG-CD1 3.75Å; Q421-F427 HydrophobicContact CG-CE1 4.4Å; A424-F427 HydrophobicContact CB-CB 4.45Å; A424-F427 WeakPolarHBondContact O-CB 3.45Å; A424-F427 PolarHBondContact O-N 2.93Å; P425-F427 VanDerWaalsContact C-N 3.3Å; F427-E431 HydrophobicContact CD2-CB 4.14Å; F427-E431 HydrophobicContact CE2-CB 3.92Å; F427-M432 HydrophobicContact CE2-CB 4.41Å; F427-M432 HydrophobicContact CZ-CB 3.81Å; F427-M432 HydrophobicContact CZ-CG 4.39Å
428K90.9Very high91.9Very high143 Ų14350.8 Ų50.862%0.62229%0.286SS*.  trans-100144.8-179.3-57.8-176.2-178.3-177.70111.2S426 S430 E431S426-K428 PolarHBondContact O-N 3.14Å; K428-S430 WeakPolarHBondContact CB-OG 3.38Å; K428-S430 PolarHBondContact O-N 3.09Å; K428-E431 HydrophobicContact CB-CG 4.4Å; K428-E431 WeakPolarHBondContact O-CB 3.34Å; K428-E431 PolarHBondContact O-N 3.04Å
429E89.5Confident91.9Very high80 Ų8048.3 Ų48.337%0.37427%0.273SS..Hα-helixtrans-59.5-27.7177.1179.5150.8-148.800113.3K417 E431 M432 N433K417-E429 HydrophobicContact CD-CB 4.06Å; K417-E429 HydrophobicContact CD-CG 3.93Å; K417-E429 WeakPolarHBondContact CD-OE1 3.34Å; K417-E429 WeakPolarHBondContact CD-OE2 3.3Å; K417-E429 IonicContact NZ-OE1 2.63Å; K417-E429 PolarHBondContact NZ-OE1 2.89Å; K417-E429 IonicContact NZ-OE2 3.55Å; K417-E429 PolarHBondContact NZ-OE2 3.09Å; E429-E431 VanDerWaalsContact C-N 3.29Å; E429-E431 PolarHBondContact O-N 2.84Å; E429-M432 HydrophobicContact CG-CE 4.39Å; E429-M432 WeakPolarHBondContact O-CA 3.45Å; E429-M432 VanDerWaalsContact O-CB 3.31Å; E429-M432 WeakPolarHBondContact O-CB 3.36Å; E429-M432 PolarHBondContact O-N 3.02Å; E429-M432 VanDerWaalsContact O-N 3.1Å; E429-N433 PolarHBondContact O-N 3.19Å; E429-N433 PolarHBondContact O-ND2 2.84Å; E429-N433 VanDerWaalsContact O-ND2 3.15Å
430S89.6Confident91.7Very high71 Ų7148 Ų4850%0.49727%0.272SS..Hα-helixtrans-58.3-37.3169.750.20000113K428 M432 N433 V434K428-S430 WeakPolarHBondContact CB-OG 3.38Å; K428-S430 PolarHBondContact O-N 3.09Å; S430-M432 VanDerWaalsContact C-N 3.33Å; S430-N433 PolarHBondContact O-N 3.04Å; S430-V434 WeakPolarHBondContact O-CG2 3.38Å; S430-V434 PolarHBondContact O-N 3.16Å
431E90Very high91.4Very high48 Ų4850.8 Ų50.822%0.22429%0.288CS..Hα-helixtrans-67.2-35.7174.6-52.5-155.2124.200111.5H371 K372 F427 K428 E429 I435H371-E431 IonicContact CD2-OE2 2.63Å; H371-E431 IonicContact CE1-OE2 2.7Å; H371-E431 IonicContact NE2-OE2 2.63Å; H371-E431 PolarHBondContact NE2-OE2 3.21Å; K372-E431 WeakPolarHBondContact CE-OE1 3.5Å; K372-E431 VanDerWaalsContact CE-OE2 3.26Å; K372-E431 WeakPolarHBondContact CE-OE2 3.5Å; K372-E431 IonicContact NZ-OE1 2.7Å; K372-E431 PolarHBondContact NZ-OE1 3.46Å; K372-E431 IonicContact NZ-OE2 3.76Å; F427-E431 HydrophobicContact CD2-CB 4.14Å; F427-E431 HydrophobicContact CE2-CB 3.92Å; K428-E431 HydrophobicContact CB-CG 4.4Å; K428-E431 WeakPolarHBondContact O-CB 3.34Å; K428-E431 PolarHBondContact O-N 3.04Å; E429-E431 VanDerWaalsContact C-N 3.29Å; E429-E431 PolarHBondContact O-N 2.84Å; E431-I435 WeakPolarHBondContact O-CB 3.41Å; E431-I435 WeakPolarHBondContact O-CG1 3.42Å; E431-I435 PolarHBondContact O-N 3.11Å
432M93.4Very high91.1Very high2 Ų251.1 Ų51.11%0.0129%0.293CS..Hα-helixtrans-62.7-48173.3-165.6173.767.200111.7L375 L413 K417 F427 E429 S430 V434 I435 A436L375-M432 HydrophobicContact CD1-CG 4.13Å; L375-M432 HydrophobicContact CD2-CB 4.42Å; L375-M432 HydrophobicContact CD2-CG 4.34Å; L413-M432 HydrophobicContact CB-CE 4.25Å; L413-M432 HydrophobicContact CD2-CE 4.47Å; L413-M432 HydrophobicContact CD2-SD 4.48Å; K417-M432 HydrophobicContact CB-CE 3.99Å; K417-M432 HydrophobicContact CB-SD 3.75Å; K417-M432 HydrophobicContact CD-CE 4.13Å; K417-M432 HydrophobicContact CG-CE 4.39Å; K417-M432 HydrophobicContact CG-SD 4.41Å; F427-M432 HydrophobicContact CE2-CB 4.41Å; F427-M432 HydrophobicContact CZ-CB 3.81Å; F427-M432 HydrophobicContact CZ-CG 4.39Å; E429-M432 HydrophobicContact CG-CE 4.39Å; E429-M432 WeakPolarHBondContact O-CA 3.45Å; E429-M432 VanDerWaalsContact O-CB 3.31Å; E429-M432 WeakPolarHBondContact O-CB 3.36Å; E429-M432 PolarHBondContact O-N 3.02Å; E429-M432 VanDerWaalsContact O-N 3.1Å; S430-M432 VanDerWaalsContact C-N 3.33Å; M432-V434 PolarHBondContact O-N 3.41Å; M432-I435 PolarHBondContact O-N 3.1Å; M432-A436 VanDerWaalsContact O-CB 3.32Å; M432-A436 WeakPolarHBondContact O-CB 3.39Å; M432-A436 PolarHBondContact O-N 3.19Å
433N92.4Very high90.9Very high32 Ų3247.2 Ų47.217%0.17127%0.272CS..Hα-helixtrans-59.7-45.7180-69.8-38.6000111.4T394 I396 E429 S430 A437T394-N433 WeakPolarHBondContact CB-OD1 3.22Å; T394-N433 VanDerWaalsContact CG2-OD1 3.28Å; T394-N433 WeakPolarHBondContact CG2-OD1 3.41Å; T394-N433 PolarHBondContact OG1-OD1 2.8Å; I396-N433 HydrophobicContact CD1-CB 4.29Å; I396-N433 WeakPolarHBondContact CD1-ND2 3.42Å; E429-N433 PolarHBondContact O-N 3.19Å; E429-N433 PolarHBondContact O-ND2 2.84Å; E429-N433 VanDerWaalsContact O-ND2 3.15Å; S430-N433 PolarHBondContact O-N 3.04Å; N433-A437 VanDerWaalsContact O-CB 3.23Å; N433-A437 WeakPolarHBondContact O-CB 3.46Å; N433-A437 PolarHBondContact O-N 2.62Å
434V92.4Very high90.6Very high103 Ų10349.7 Ų49.762%0.62428%0.281SS*.Hα-helixtrans-62.4-47.1176.4170.90000111.7S430 M432 A437 D438S430-V434 WeakPolarHBondContact O-CG2 3.38Å; S430-V434 PolarHBondContact O-N 3.16Å; M432-V434 PolarHBondContact O-N 3.41Å; V434-A437 PolarHBondContact O-N 3.45Å; V434-D438 WeakPolarHBondContact O-CB 3.32Å; V434-D438 PolarHBondContact O-N 3.31Å
435I93.1Very high90Very high13 Ų1357 Ų577%0.06731%0.305CS..Hα-helixtrans-69-39-177.5-74.7168000111.9K372 L375 R376 L379 E431 M432 D438 M439K372-I435 HydrophobicContact CB-CD1 4.06Å; K372-I435 HydrophobicContact CG-CD1 4.17Å; L375-I435 HydrophobicContact CD2-CB 3.96Å; L375-I435 HydrophobicContact CD2-CD1 3.75Å; L375-I435 HydrophobicContact CD2-CG1 4.43Å; L375-I435 HydrophobicContact CD2-CG2 3.91Å; L375-I435 HydrophobicContact CG-CG2 4.17Å; R376-I435 HydrophobicContact CG-CG2 3.55Å; L379-I435 HydrophobicContact CD1-CG2 4.24Å; E431-I435 WeakPolarHBondContact O-CB 3.41Å; E431-I435 WeakPolarHBondContact O-CG1 3.42Å; E431-I435 PolarHBondContact O-N 3.11Å; M432-I435 PolarHBondContact O-N 3.1Å; I435-D438 PolarHBondContact O-N 3.27Å; I435-M439 HydrophobicContact CG2-SD 4.11Å; I435-M439 WeakPolarHBondContact O-CB 3.43Å; I435-M439 VanDerWaalsContact O-CG 3.3Å; I435-M439 WeakPolarHBondContact O-CG 3.42Å; I435-M439 PolarHBondContact O-N 3.31Å
436A92.8Very high89.2Confident0 Ų055.1 Ų55.10%029%0.292CS..Hα-helixtrans-65.5-41.9173.700000111.7L379 T394 L408 M432 M439 C440L379-A436 HydrophobicContact CD1-CB 4.37Å; T394-A436 HydrophobicContact CG2-CB 3.81Å; L408-A436 HydrophobicContact CD1-CB 4.44Å; M432-A436 VanDerWaalsContact O-CB 3.32Å; M432-A436 WeakPolarHBondContact O-CB 3.39Å; M432-A436 PolarHBondContact O-N 3.19Å; A436-M439 PolarHBondContact O-N 3.1Å; A436-C440 WeakPolarHBondContact O-CB 3.45Å; A436-C440 PolarHBondContact O-N 3.48Å; A436-C440 PolarHBondContact O-SG 2.97Å
437A90.8Very high88.4Confident40 Ų4055.6 Ų55.633%0.33128%0.279SS..Hα-helixtrans-64.7-39.8176.200000112.6N433 V434 T441N433-A437 VanDerWaalsContact O-CB 3.23Å; N433-A437 WeakPolarHBondContact O-CB 3.46Å; N433-A437 PolarHBondContact O-N 2.62Å; V434-A437 PolarHBondContact O-N 3.45Å; A437-T441 WeakPolarHBondContact O-CB 3.27Å; A437-T441 PolarHBondContact O-N 2.72Å; A437-T441 PolarHBondContact O-OG1 3.19Å
438D91.5Very high86.9Confident67 Ų6763.6 Ų63.636%0.35831%0.314SS..Hα-helixtrans-60-53.3171172.642.2000110.9R376 V434 I435 C440 T441 N442R376-D438 IonicContact NH2-OD2 2.64Å; R376-D438 PolarHBondContact NH2-OD2 3.13Å; V434-D438 WeakPolarHBondContact O-CB 3.32Å; V434-D438 PolarHBondContact O-N 3.31Å; I435-D438 PolarHBondContact O-N 3.27Å; D438-C440 PolarHBondContact O-N 2.93Å; D438-T441 CarbonylContact O-C 3.58Å; D438-T441 PolarHBondContact O-N 3.22Å; D438-N442 VanDerWaalsContact O-CB 3.32Å; D438-N442 WeakPolarHBondContact O-CB 3.36Å; D438-N442 PolarHBondContact O-N 2.89Å
439M92.7Very high85.2Confident26 Ų2665 Ų6513%0.12832%0.315CS..Hα-helixtrans-57.3-46.3179.6-74177.265.400112.5R376 L379 A380 L388 I435 A436 T441 N442 A443R376-M439 HydrophobicContact CB-SD 4.24Å; R376-M439 HydrophobicContact CG-SD 4.01Å; L379-M439 HydrophobicContact CB-CE 3.77Å; L379-M439 HydrophobicContact CB-SD 3.92Å; L379-M439 HydrophobicContact CD1-SD 3.94Å; A380-M439 HydrophobicContact CB-CE 4.05Å; L388-M439 HydrophobicContact CD1-CE 4Å; L388-M439 HydrophobicContact CD2-CB 4.35Å; I435-M439 HydrophobicContact CG2-SD 4.11Å; I435-M439 WeakPolarHBondContact O-CB 3.43Å; I435-M439 VanDerWaalsContact O-CG 3.3Å; I435-M439 WeakPolarHBondContact O-CG 3.42Å; I435-M439 PolarHBondContact O-N 3.31Å; A436-M439 PolarHBondContact O-N 3.1Å; M439-T441 VanDerWaalsContact C-N 3.33Å; M439-T441 PolarHBondContact O-N 2.96Å; M439-N442 PolarHBondContact O-N 3.36Å; M439-A443 WeakPolarHBondContact O-CB 3.39Å; M439-A443 PolarHBondContact O-N 2.88Å
440C91.1Very high83.3Confident0 Ų065.2 Ų65.20%031%0.313CS..Hα-helixtrans-63.1-38.1174.9-66.90000112.3L388 A436 D438 R444L388-C440 VanDerWaalsContact O-CA 3.32Å; L388-C440 WeakPolarHBondContact O-CA 3.17Å; L388-C440 WeakPolarHBondContact O-CB 3.49Å; L388-C440 PolarHBondContact O-SG 2.9Å; A436-C440 WeakPolarHBondContact O-CB 3.45Å; A436-C440 PolarHBondContact O-N 3.48Å; A436-C440 PolarHBondContact O-SG 2.97Å; D438-C440 PolarHBondContact O-N 2.93Å; C440-R444 WeakPolarHBondContact O-CG 3.3Å; C440-R444 PolarHBondContact O-N 3.24Å; C440-R444 PolarHBondContact O-NE 3.39Å
441T88.9Confident81.7Confident58 Ų5867.4 Ų67.436%0.35632%0.318SS..Hα-helixtrans-75-34.9-179.8-61.30000112.6A437 D438 M439 R444 R445A437-T441 WeakPolarHBondContact O-CB 3.27Å; A437-T441 PolarHBondContact O-N 2.72Å; A437-T441 PolarHBondContact O-OG1 3.19Å; D438-T441 CarbonylContact O-C 3.58Å; D438-T441 PolarHBondContact O-N 3.22Å; M439-T441 VanDerWaalsContact C-N 3.33Å; M439-T441 PolarHBondContact O-N 2.96Å; T441-R444 PolarHBondContact O-N 3.35Å; T441-R444 PolarHBondContact OG1-NH2 3Å; T441-R445 WeakPolarHBondContact O-CB 3.33Å; T441-R445 PolarHBondContact O-N 3.39Å
442N88.4Confident80Confident78 Ų7868.7 Ų68.742%0.41733%0.331SS..Hα-helixtrans-66.9-45171.7-172.7-20.7000110.6D438 M439 R444 R445 V446D438-N442 VanDerWaalsContact O-CB 3.32Å; D438-N442 WeakPolarHBondContact O-CB 3.36Å; D438-N442 PolarHBondContact O-N 2.89Å; M439-N442 PolarHBondContact O-N 3.36Å; N442-R444 VanDerWaalsContact C-N 3.33Å; N442-R444 PolarHBondContact O-N 2.73Å; N442-R445 PolarHBondContact O-N 3.13Å; N442-R445 VanDerWaalsContact O-N 3.13Å; N442-V446 PolarHBondContact O-N 3.04Å
443A86.9Confident77.8Confident3 Ų374.1 Ų74.13%0.02536%0.355CS..Hα-helixtrans-57.5-43.9173.400000112R385 L388 A389 M439 R447R385-A443 HydrophobicContact CG-CB 4.16Å; L388-A443 HydrophobicContact CB-CB 3.9Å; A389-A443 HydrophobicContact CB-CB 3.89Å; M439-A443 WeakPolarHBondContact O-CB 3.39Å; M439-A443 PolarHBondContact O-N 2.88Å; A443-R447 PolarHBondContact O-N 3.45Å
444R85.8Confident76Confident65 Ų6574.3 Ų74.325%0.24536%0.355CS..Hα-helixtrans-63.5-45.8170.4-76.7-177-73-88.46.6113.3A389 S391 C440 T441 N442 V446 R447 K448A389-R444 HydrophobicContact CB-CG 4.38Å; A389-R444 VanDerWaalsContact O-CG 3.31Å; A389-R444 WeakPolarHBondContact O-CG 3.35Å; S391-R444 PolarHBondContact O-NH1 3.39Å; C440-R444 WeakPolarHBondContact O-CG 3.3Å; C440-R444 PolarHBondContact O-N 3.24Å; C440-R444 PolarHBondContact O-NE 3.39Å; T441-R444 PolarHBondContact O-N 3.35Å; T441-R444 PolarHBondContact OG1-NH2 3Å; N442-R444 VanDerWaalsContact C-N 3.33Å; N442-R444 PolarHBondContact O-N 2.73Å; R444-V446 PolarHBondContact O-N 2.83Å; R444-R447 PolarHBondContact O-N 2.93Å; R444-K448 WeakPolarHBondContact O-CB 3.39Å; R444-K448 PolarHBondContact O-N 3.48Å
445R80.8Confident73.9Confident168 Ų16877 Ų7763%0.63436%0.359SS*.Hα-helixtrans-64.5-40.5-175.8-177.4-178-75.7179.1-3.5111.2T441 N442 K448 R449T441-R445 WeakPolarHBondContact O-CB 3.33Å; T441-R445 PolarHBondContact O-N 3.39Å; N442-R445 PolarHBondContact O-N 3.13Å; N442-R445 VanDerWaalsContact O-N 3.13Å; R445-K448 PolarHBondContact O-N 2.91Å; R445-R449 WeakPolarHBondContact O-CB 3.17Å; R445-R449 PolarHBondContact O-N 2.67Å
446V71.4Confident71.9Confident60 Ų6080.6 Ų80.636%0.36439%0.385SS..Hα-helixtrans-65.2-46.51751730000110.6N442 R444 K448 W450N442-V446 PolarHBondContact O-N 3.04Å; R444-V446 PolarHBondContact O-N 2.83Å; V446-K448 PolarHBondContact O-N 3.3Å; V446-W450 WeakPolarHBondContact O-CB 3.28Å; V446-W450 PolarHBondContact O-N 2.96Å; V446-W450 VanDerWaalsContact O-N 3.13Å
447R70.9Confident69.6Low105 Ų10585.7 Ų85.740%0.39641%0.41SS..Hα-helixtrans-56.4-46.5173.3-77.4-178.3166.6-178.8-6.8113.1N386 N390 A443 R444N386-R447 VanDerWaalsContact OD1-CZ 3.3Å; N386-R447 PolarHBondContact OD1-NH1 3.19Å; N386-R447 PolarHBondContact OD1-NH2 3.48Å; N390-R447 PolarHBondContact OD1-NH1 2.95Å; A443-R447 PolarHBondContact O-N 3.45Å; R444-R447 PolarHBondContact O-N 2.93Å
448K60.8Low67.7Low174 Ų17487.4 Ų87.476%0.75741%0.413SS*.Hα-helixtrans-78.9-30.5-177.2-80.7-161.5172.5-168.50115.3R444 R445 V446 P452R444-K448 WeakPolarHBondContact O-CB 3.39Å; R444-K448 PolarHBondContact O-N 3.48Å; R445-K448 PolarHBondContact O-N 2.91Å; V446-K448 PolarHBondContact O-N 3.3Å; K448-P452 WeakPolarHBondContact O-CD 3.4Å; K448-P452 VanDerWaalsContact O-CG 3.29Å; K448-P452 WeakPolarHBondContact O-CG 3.5Å
449R56.6Low65.6Low171 Ų17188.8 Ų88.865%0.64543%0.426SS*.Hα-helixtrans-89.5-29.4-175.7-166-178.6-169.1-160.16.3112.7R445 K453R445-R449 WeakPolarHBondContact O-CB 3.17Å; R445-R449 PolarHBondContact O-N 2.67Å; R449-K453 VanDerWaalsContact O-CB 3.24Å; R449-K453 WeakPolarHBondContact O-CB 3.14Å; R449-K453 PolarHBondContact O-N 2.98Å; R449-K453 VanDerWaalsContact O-N 3.13Å
450W48.9Very low63.4Low85 Ų8596.3 Ų96.332%0.32246%0.46SS..Hα-helixtrans-72.5-46.4-175.3-173.670.8000112.1G105 V113 V446 K453 I454G105-W450 VanDerWaalsContact C-CH2 3.49Å; G105-W450 VanDerWaalsContact CA-CZ2 3.47Å; G105-W450 VanDerWaalsContact O-CH2 3.24Å; G105-W450 WeakPolarHBondContact O-CH2 3.31Å; V113-W450 HydrophobicContact CB-CZ2 4.47Å; V113-W450 HydrophobicContact CG1-CH2 4.48Å; V113-W450 HydrophobicContact CG1-CZ2 3.66Å; V113-W450 HydrophobicContact CG2-CH2 4.27Å; V113-W450 HydrophobicContact CG2-CZ2 3.89Å; V446-W450 WeakPolarHBondContact O-CB 3.28Å; V446-W450 PolarHBondContact O-N 2.96Å; V446-W450 VanDerWaalsContact O-N 3.13Å; W450-K453 PolarHBondContact O-N 3.36Å; W450-I454 HydrophobicContact CD2-CD1 3.7Å; W450-I454 HydrophobicContact CE3-CD1 4.22Å; W450-I454 HydrophobicContact CG-CD1 4.01Å; W450-I454 HydrophobicContact CZ2-CD1 4.21Å; W450-I454 VanDerWaalsContact O-CB 3.24Å; W450-I454 WeakPolarHBondContact O-CB 3.34Å; W450-I454 WeakPolarHBondContact O-CG1 3.23Å; W450-I454 PolarHBondContact O-N 2.9Å
451L56.6Low61.2Low117 Ų11797.8 Ų97.861%0.61348%0.476SS*.Hα-helixtrans-56.4-50.3177.4-120.370.2000113.4K455L451-K455 PolarHBondContact O-N 3.01Å
452P54.4Low59.1Low76 Ų76100.9 Ų100.949%0.49449%0.494SS..Hα-helixtrans-72.4-37.9178.9-20.334.9000113.3K448 I454 K455 S456K448-P452 WeakPolarHBondContact O-CD 3.4Å; K448-P452 VanDerWaalsContact O-CG 3.29Å; K448-P452 WeakPolarHBondContact O-CG 3.5Å; P452-I454 VanDerWaalsContact C-N 3.29Å; P452-I454 PolarHBondContact O-N 3.02Å; P452-K455 CarbonylContact O-C 3.6Å; P452-K455 PolarHBondContact O-N 2.9Å; P452-S456 PolarHBondContact O-N 3.47Å; P452-S456 PolarHBondContact O-OG 3.03Å
453K45.9Very low57.1Low116 Ų116103 Ų10350%0.50450%0.502SS..Hα-helixtrans-68.8-30.2177.4-173.7167.6-179.6178.10112.1R449 W450 S456 M457R449-K453 VanDerWaalsContact O-CB 3.24Å; R449-K453 WeakPolarHBondContact O-CB 3.14Å; R449-K453 PolarHBondContact O-N 2.98Å; R449-K453 VanDerWaalsContact O-N 3.13Å; W450-K453 PolarHBondContact O-N 3.36Å; K453-S456 PolarHBondContact O-OG 3.1Å; K453-M457 HydrophobicContact CG-CG 4.45Å; K453-M457 HydrophobicContact CG-SD 4.1Å; K453-M457 WeakPolarHBondContact O-CB 3.36Å; K453-M457 VanDerWaalsContact O-CG 3.24Å; K453-M457 WeakPolarHBondContact O-CG 3.28Å; K453-M457 PolarHBondContact O-N 3.37Å
454I55.6Low54.9Low36 Ų36109.7 Ų109.719%0.18553%0.534CS..Hα-helixtrans-61.6-51.7164.8-84.8170.1000110Y102 W450 P452 S456 M457 L458Y102-I454 HydrophobicContact CD2-CG2 3.37Å; Y102-I454 HydrophobicContact CE2-CG2 3.5Å; W450-I454 HydrophobicContact CD2-CD1 3.7Å; W450-I454 HydrophobicContact CE3-CD1 4.22Å; W450-I454 HydrophobicContact CG-CD1 4.01Å; W450-I454 HydrophobicContact CZ2-CD1 4.21Å; W450-I454 VanDerWaalsContact O-CB 3.24Å; W450-I454 WeakPolarHBondContact O-CB 3.34Å; W450-I454 WeakPolarHBondContact O-CG1 3.23Å; W450-I454 PolarHBondContact O-N 2.9Å; P452-I454 VanDerWaalsContact C-N 3.29Å; P452-I454 PolarHBondContact O-N 3.02Å; I454-S456 PolarHBondContact O-N 3.39Å; I454-M457 PolarHBondContact O-N 2.96Å; I454-L458 HydrophobicContact CG2-CD1 4.27Å; I454-L458 VanDerWaalsContact O-CD1 3.32Å; I454-L458 WeakPolarHBondContact O-CD1 3.26Å; I454-L458 PolarHBondContact O-N 3.32Å; I454-L458 VanDerWaalsContact O-N 3.09Å
455K48.8Very low52.7Low160 Ų160115.6 Ų115.670%0.69656%0.558SS**Hα-helixtrans-60.9-33-177.4-162.4-178.9179.4-169.60112.7L451 P452L451-K455 PolarHBondContact O-N 3.01Å; P452-K455 CarbonylContact O-C 3.6Å; P452-K455 PolarHBondContact O-N 2.9Å
456S50.1Low50.8Low88 Ų88116.3 Ų116.362%0.61556%0.561SS**THydrogen-bonded Turntrans-90.98.2175.177.90000114.6P452 K453 I454P452-S456 PolarHBondContact O-N 3.47Å; P452-S456 PolarHBondContact O-OG 3.03Å; K453-S456 PolarHBondContact O-OG 3.1Å; I454-S456 PolarHBondContact O-N 3.39Å
457M44.6Very low49.3Very low107 Ų107119 Ų11953%0.52758%0.578SS.*THydrogen-bonded Turntrans-116.5-4.8169.7-74.7-174.369.600112.3L98 K453 I454L98-M457 HydrophobicContact CD2-CE 4.29Å; K453-M457 HydrophobicContact CG-CG 4.45Å; K453-M457 HydrophobicContact CG-SD 4.1Å; K453-M457 WeakPolarHBondContact O-CB 3.36Å; K453-M457 VanDerWaalsContact O-CG 3.24Å; K453-M457 WeakPolarHBondContact O-CG 3.28Å; K453-M457 PolarHBondContact O-N 3.37Å; I454-M457 PolarHBondContact O-N 2.96Å
458L50Low47.9Very low76 Ų76119.8 Ų119.840%0.39859%0.594SS.*SBendtrans-69.1135.1149-84.770.5000107.5Y102 I454Y102-L458 HydrophobicContact CD2-CD1 3.97Å; Y102-L458 HydrophobicContact CE2-CD1 4.03Å; I454-L458 HydrophobicContact CG2-CD1 4.27Å; I454-L458 VanDerWaalsContact O-CD1 3.32Å; I454-L458 WeakPolarHBondContact O-CD1 3.26Å; I454-L458 PolarHBondContact O-N 3.32Å; I454-L458 VanDerWaalsContact O-N 3.09Å
459P48.1Very low46.9Very low95 Ų95119.2 Ų119.262%0.61760%0.596SS**  trans-63.3137.3162.7-17.831.3000109.8G461P459-G461 PolarHBondContact O-N 3.18Å
460E47.7Very low45.6Very low184 Ų184114.2 Ų114.286%0.8660%0.597SS**SBendtrans-55.6-27.9165.2-123.377.5-139.400111V462E460-V462 PolarHBondContact O-N 2.91Å
461G44.7Very low44.8Very low32 Ų32116 Ų11633%0.3362%0.623SS.*  trans-76.169.2179.400000115.3P459 E463P459-G461 PolarHBondContact O-N 3.18Å; G461-E463 PolarHBondContact O-N 2.71Å
462V44.3Very low43.8Very low122 Ų122116.5 Ų116.574%0.73964%0.636SS**SBendtrans-65.4-21160.61790000111.2E460E460-V462 PolarHBondContact O-N 2.91Å
463E45.5Very low42.6Very low122 Ų122118 Ų11857%0.5765%0.654SS**THydrogen-bonded Turntrans-68.5-35.2-177-63.3-104.491.800114.1G461 Y465 R466G461-E463 PolarHBondContact O-N 2.71Å; E463-Y465 PolarHBondContact O-N 3.03Å; E463-Y465 VanDerWaalsContact O-N 3.13Å; E463-R466 VanDerWaalsContact O-CB 3.24Å; E463-R466 WeakPolarHBondContact O-CB 2.94Å; E463-R466 PolarHBondContact O-N 2.79Å; E463-R466 IonicContact OE1-CZ 2.76Å; E463-R466 IonicContact OE1-NE 3.65Å; E463-R466 IonicContact OE1-NH2 2.63Å; E463-R466 PolarHBondContact OE1-NH2 2.7Å
464M41.3Very low42Very low144 Ų144117.2 Ų117.271%0.70967%0.67SS**Hα-helixtrans-60-29.2-174.4-87.2-69.7-177.300113.7R466M464-R466 VanDerWaalsContact C-N 3.3Å; M464-R466 PolarHBondContact O-N 2.63Å
465Y39.3Very low40.8Very low189 Ų189121.3 Ų121.374%0.74170%0.701SS**Hα-helixtrans-78.6-11.2177.7-67.3-80.2000113.7E463E463-Y465 PolarHBondContact O-N 3.03Å; E463-Y465 VanDerWaalsContact O-N 3.13Å
466R42.3Very low40.1Very low184 Ų184120.4 Ų120.469%0.69471%0.709SS**Hα-helixtrans-73.6-35.4173.3-159.6-164.5-58.1-139.511.5111.5E463 M464E463-R466 VanDerWaalsContact O-CB 3.24Å; E463-R466 WeakPolarHBondContact O-CB 2.94Å; E463-R466 PolarHBondContact O-N 2.79Å; E463-R466 IonicContact OE1-CZ 2.76Å; E463-R466 IonicContact OE1-NE 3.65Å; E463-R466 IonicContact OE1-NH2 2.63Å; E463-R466 PolarHBondContact OE1-NH2 2.7Å; M464-R466 VanDerWaalsContact C-N 3.3Å; M464-R466 PolarHBondContact O-N 2.63Å
467T39.6Very low39.7Very low117 Ų117121.6 Ų121.672%0.71872%0.715SS**Hα-helixtrans-78-24.5-170.7-44.80000113.7
468V41.9Very low39Very low121 Ų121125 Ų12573%0.73373%0.734SS**Hα-helixtrans-86.1-27.2-176.51770000113
469M38.7Very low37.9Very low162 Ų162128.7 Ų128.780%0.79875%0.754SS**SBendtrans-104.965.9178.4-74.3-66.8-67.900110.9
470G30.6Very low38Very low65 Ų65128.7 Ų128.767%0.6775%0.754SS**  trans-63.2136.6-178.700000113.5
471S31.6Very low36.9Very low124 Ų124128.4 Ų128.487%0.86775%0.753SS**  trans-151.4126.5160.4-78.20000108.9
472S34.5Very low36Very low127 Ų127135.7 Ų135.789%0.88878%0.776SS**  trans-77.9135.4-167.5-53.70000113.3
473A30.8Very low35.7Very low106 Ų106134.9 Ų134.988%0.87677%0.773SS**  trans-133.2121143.600000106.4
474A31.7Very low35.5Very low101 Ų101134.8 Ų134.884%0.83578%0.783SS**  trans-109.1133-170.300000112
475S30.6Very low34.7Very low121 Ų121132.6 Ų132.685%0.84679%0.788SS**  trans-153.6126.8152.754.50000109.1
476V33.9Very low34.2Very low142 Ų142127.9 Ų127.986%0.86179%0.788SS**  trans-94.8149.1-179.2167.50000108.6
477P42.8Very low33.6Very low112 Ų112124.1 Ų124.173%0.72780%0.796SS**  trans-91.7168.6-15936.7-37.1000114.5
478L29.1Very low33.1Very low180 Ų180126.8 Ų126.894%0.94280%0.801SS**  trans-136157.8157.5-72.3177.8000109.7
479D28Very low32.5Very low152 Ų152127.2 Ų127.281%0.81380%0.803SS**  trans-151.4-174.6-165.9-161.536.9000107.2
480P49.9Very low31.9Very low95 Ų95128.8 Ų128.862%0.61781%0.806SS**  -110168.9-64.534.3-23.6000112.6
481E23.7Very low31.9Very low178 Ų178133.4 Ų133.483%0.83281%0.81SS**  trans-170.3115.6138.5-113.1-176.899.400116.2
482F26.6Very low31.7Very low185 Ų185136 Ų13681%0.81181%0.808SS**  trans69156.9135.9-91.3-108.5000121.5
483P37.1Very low31.4Very low105 Ų105141 Ų14168%0.68281%0.808SS**  -132-144.3-100.845.5-25.7000114.9
484P41.5Very low31.4Very low121 Ų121142.5 Ų142.579%0.78680%0.8SS**  -119.1152.4-11937.4-18.7000116.4
485A25.5Very low31.1Very low98 Ų98148.7 Ų148.781%0.8180%0.803SS**  trans-155.9152.3163.700000113.8
486A28.6Very low31.1Very low90 Ų90147.3 Ų147.374%0.74480%0.799SS**  trans50.6107.6159.500000119.3
487A29.6Very low30.7Very low105 Ų105148.4 Ų148.487%0.86880%0.795SS**  trans-65.8132.3162.100000111.1
488Q29.2Very low30Very low173 Ų173153.7 Ų153.781%0.80880%0.8SS**  trans-105.3104.9169.6-72.2-165.8-11.400111.1F490Q488-F490 PolarHBondContact O-N 2.7Å
489V28.4Very low30Very low130 Ų130155.9 Ų155.979%0.78880%0.796SS**  trans-66.9121.1158176.10000107.3
490F26.4Very low30Very low195 Ų195153.2 Ų153.286%0.85579%0.789SS**  trans-108.692.3171.2-145.8-87.4000109.7Q488Q488-F490 PolarHBondContact O-N 2.7Å
491E29.6Very low28.8Very low161 Ų161155.8 Ų155.875%0.75280%0.797SS**  trans-79.6152-176.6-153.6-174.5170.400112.1
492Q28.1Very low29Very low178 Ų178151.2 Ų151.283%0.83279%0.791SS**  trans-99.497.4-170.8-178-170.917.600112
493R29.1Very low29Very low234 Ų234146.6 Ų146.688%0.88379%0.786SS**  trans165.6160.9167.9-96.5153.7-165.7-178.27.1107.8
494I29.1Very low28.5Very low137 Ų137147.4 Ų147.470%0.70379%0.789SS**  cis-137.4149.612.4-68.9-177000108.5
495Y26.3Very low27.8Very low231 Ų231148.7 Ų148.791%0.90679%0.788SS**  trans-154.997.9130.3-114-68.6000111.6
496A29.4Very low27.8Very low92 Ų92149.8 Ų149.876%0.7678%0.784SS**  trans-157.859.4178.700000111.8
497E27.3Very low27.7Very low164 Ų164149.4 Ų149.477%0.76678%0.782SS**  trans-139.4152.4160.9-97.5-166.986.900108.3
498R28.2Very low27.6Very low223 Ų223151.9 Ų151.984%0.84278%0.779SS**  cis-139.7156.931.9-152.8-170.9-75.2-175-5.8113.9
499R28.3Very low27.7Very low227 Ų227154.1 Ų154.186%0.85778%0.78SS**  trans-65.3171.8154.1-66.5168.5157.7160.4-9.6109.8
500S28Very low27.8Very low96 Ų96153.3 Ų153.367%0.67178%0.776SS**  cis-144.5-171.37.346.80000107.1
501D25.2Very low27.9Very low148 Ų148150.3 Ų150.379%0.79177%0.769SS**  cis-159.6-178.629.1-126.2-46.4000115.9
502A26.5Very low27.9Very low83 Ų83146.6 Ų146.669%0.68677%0.766SS**  trans-54.6135.2-169.200000119.9
503A27Very low27.9Very low87 Ų87144.3 Ų144.372%0.71976%0.764SS**  81.1146.3118.600000124.3
504T27.6Very low27.9Very low122 Ų122139 Ų13975%0.74875%0.753SS**  trans94.4110.6137.3-66.90000121.7
505I26.8Very low27.9Very low149 Ų149135.8 Ų135.876%0.76474%0.739SS**  trans91.1134.2140.2-91172.3000122.7
506V25.6Very low28Very low120 Ų120127.8 Ų127.873%0.72771%0.712SS**  trans53.4123.5158.91690000118.4
507A26.7Very low28.2Very low83 Ų83129.7 Ų129.769%0.68671%0.709SS**  cis96.8155.327.600000115.5
508L26.9Very low28.2Very low157 Ų157127 Ų12782%0.82271%0.708SS**  trans74126.4-167.1-50.7172.8000113
509R32Very low28.1Very low220 Ų220122.2 Ų122.283%0.8370%0.704SS**  cis89.1154.623.9-159.4-178.8-173.4-177.44113.6
510T30.3Very low28.2Very low113 Ų113115.6 Ų115.669%0.69370%0.697SS**  trans92.1143.9172.676.10000116.4
511D27.9Very low28.2Very low132 Ų132117.6 Ų117.671%0.70671%0.706SS**  cis-165.4155.3-28.1-105.7-32.6000114.1
512A30.2Very low28.5Very low83 Ų83118.1 Ų118.169%0.68671%0.709SS**  trans55.8177.3139.600000120.1
513V28Very low28.9Very low130 Ų130120 Ų12079%0.78871%0.714SS**  cis-143136.817.1176.70000114.1
514N29.2Very low28.9Very low122 Ų122120.2 Ų120.265%0.65272%0.716SS**  trans-6167.5144.5-71.840.9000122.6
515V29.3Very low28.8Very low70 Ų70123.5 Ų123.542%0.42472%0.72SS.*  cis-164.9-147.8-2261.20000107.2A206 A207 V208A206-V515 CarbonylContact C-O 3.6Å; A206-V515 WeakPolarHBondContact CA-O 3.27Å; A207-V515 WeakPolarHBondContact CA-O 3.4Å; V208-V515 VanDerWaalsContact C-CG1 3.5Å; V208-V515 WeakPolarHBondContact O-CG1 3.21Å
516D28.2Very low28.9Very low63 Ų63123.5 Ų123.534%0.33772%0.722SS.*  cis-158.8-131.919.2-157.9-151.7000116.2V208 A209V208-D516 VanDerWaalsContact C-OD1 3.32Å; V208-D516 WeakPolarHBondContact CA-OD1 3.5Å; V208-D516 HydrophobicContact CB-CB 4.18Å; V208-D516 WeakPolarHBondContact CB-OD1 3.48Å; V208-D516 WeakPolarHBondContact CG1-OD1 3.32Å; A209-D516 PolarHBondContact N-OD1 2.96Å; A209-D516 PolarHBondContact N-OD2 3.39Å
517L32.4Very low29Very low132 Ų132122.5 Ų122.569%0.69173%0.726SS**  trans-155.3146.4-151165.1152.1000115.7T519L517-T519 HydrophobicContact CD2-CG2 3.84Å
518S27.1Very low29Very low106 Ų106121.9 Ų121.974%0.74173%0.728SS**  trans-162.3105.6160.362.50000110.9
519T27.2Very low29.1Very low123 Ų123123.8 Ų123.876%0.75573%0.732SS**  76.897.276.760.20000118L517L517-T519 HydrophobicContact CD2-CG2 3.84Å
520A29.2Very low28.9Very low88 Ų88121.8 Ų121.873%0.72773%0.733SS**  trans-168.3103.1150.400000108.8
521T28Very low28.9Very low138 Ų138122 Ų12285%0.84773%0.733SS**  6111488.859.70000116.3
522N32.6Very low29Very low160 Ų160123.4 Ų123.486%0.85674%0.741SS**  trans-105.6149.3167.8-90.1-19.9000111.9
523P34.8Very low28.9Very low121 Ų121122.6 Ų122.679%0.78674%0.741SS**  trans-81.7-179.2162.637.3-35.8000112
524A28Very low28.9Very low92 Ų92121.7 Ų121.776%0.7675%0.747SS**  trans-157.7179.5178.600000112.7
525F25Very low28.9Very low191 Ų191119.9 Ų119.984%0.83876%0.757SS**  trans80.7110.9166.6-98.6-111.4000120.3
526D27.4Very low28.9Very low150 Ų150121.6 Ų121.680%0.80277%0.772SS**  81.8171.6116.8-155.323.9000121.5
527A28.9Very low29Very low98 Ų98125 Ų12581%0.8180%0.795SS**  trans92.4152.5-174.800000117.2
528G26.7Very low28.9Very low71 Ų71125.4 Ų125.473%0.73280%0.796SS**  trans-142.9-127.4-171.400000114
529E29.5Very low28.9Very low197 Ų197128.4 Ų128.492%0.92180%0.799SS**  trans83.2102.4-176.1-61.4-171.2101.500118.3
530E28.1Very low29.2Very low178 Ų178131.3 Ų131.383%0.83280%0.804SS**  32128119.7-66.2-131.1125.700124.1
531V30Very low29.2Very low117 Ų117132.9 Ų132.971%0.70980%0.804SS**  94.7131.2121.3166.80000123
532D28.7Very low29.2Very low161 Ų161130 Ų13086%0.86180%0.795SS**  trans67.9159.7162.2-128.4-31.2000121.4
533G28Very low29.3Very low67 Ų67127.1 Ų127.169%0.69179%0.793SS**  trans169.9-12.5173.300000122
534A29.5Very low29.7Very low110 Ų110127.4 Ų127.491%0.90980%0.795SS**  trans62159.317500000120.2
535G28.3Very low30.1Very low85 Ų85130.3 Ų130.388%0.87679%0.792SS**  trans151.791.2171.900000114.8
536S29.8Very low30.9Very low105 Ų105127.2 Ų127.273%0.73479%0.792SS**  trans-124.6131.2-174.1-176.80000113.9
537V30.7Very low31.3Very low134 Ų134126.2 Ų126.281%0.81279%0.786SS**  trans-165.1106.3156.8163.40000104.6
538I29.6Very low31.8Very low142 Ų142127.6 Ų127.673%0.72879%0.786SS**  60.1106.572.5-55.9174.9000113.5
539Q28Very low32.1Very low169 Ų169128 Ų12879%0.7978%0.782SS**  -176.9126.2107.1-172.7156.923.300112.4V541Q539-V541 HydrophobicContact CG-CG2 3.96Å
540E31.7Very low32.2Very low184 Ų184126.3 Ų126.386%0.8678%0.78SS**  trans-119.9144.9162.8-173.7-175.1178.500107.7
541V29.3Very low32.3Very low120 Ų120120.4 Ų120.473%0.72777%0.767SS**  trans-143.5140.3175.4177.30000108.9Q539Q539-V541 HydrophobicContact CG-CG2 3.96Å
542A29.5Very low32.2Very low79 Ų79124.3 Ų124.365%0.65378%0.778SS**  trans-133151.4-169.200000114.2
543A33.1Very low32.4Very low99 Ų99122.1 Ų122.182%0.81878%0.775SS**  trans63.1174.8157.200000117.1
544P44.9Very low33.9Very low127 Ų127124.7 Ų124.783%0.82578%0.779SS**  cis-125.5-165.8-5.741.7-25.1000114.4
545E36.3Very low34.7Very low153 Ų153124.8 Ų124.872%0.71577%0.77SS**  trans-68.4178171.4-58-174.2104.300113.6
546P41.8Very low35.2Very low126 Ų126129.3 Ų129.382%0.81877%0.769SS**  -140.615095.839.3-27.6000116.6
547L34.4Very low36.1Very low129 Ų129129.4 Ų129.468%0.67577%0.767SS**  trans-67.8173.8158-71.9167000111.8
548P39.8Very low36.2Very low127 Ų127131.6 Ų131.683%0.82577%0.766SS**  -126140.2118.235.7-32.2000114.1
549A33.7Very low36.4Very low79 Ų79131 Ų13165%0.65376%0.76SS**  trans-102.5-176.4158.900000108.2
550D32Very low36.7Very low161 Ų161130.4 Ų130.486%0.86176%0.757SS**  cis-160.2173.42.5-149.4-34.9000109.5
551G29.6Very low36.6Very low55 Ų55125.2 Ų125.257%0.56775%0.753SS**  trans94.1115.3143.900000118.7
552Q27.5Very low36.6Very low199 Ų199123.4 Ų123.493%0.9376%0.759SS**  -173.9157.789.9-94.5176.44.800112.7
553S33Very low36.6Very low115 Ų115123.5 Ų123.580%0.80477%0.767SS**  trans-161.5165.7-177.6-72.80000110.9
554P60.4Low36.5Very low120 Ų120124.5 Ų124.578%0.77977%0.768SS**  cis-98.4-96.9-722.4-1.4000110.9
555P45.5Very low36.6Very low112 Ų112124 Ų12473%0.72777%0.765SS**  cis-116.8-172.4-7.443.3-29.8000114.1
556Q39.2Very low36.4Very low181 Ų181122 Ų12285%0.84677%0.768SS**  trans-132.7170.4152.4-63.1-168.1-3500108.6
557P47.2Very low36Very low107 Ų107125.3 Ų125.370%0.69576%0.764SS**  -153.4163.188.240.3-22.4000117.5
558F33Very low36.3Very low179 Ų179125 Ų12579%0.78577%0.77SS**  trans66.6148.2142-88.3-131000120.2
559E34.8Very low35.9Very low129 Ų129124.9 Ų124.960%0.60376%0.758SS**  cis-167.6-171.2-19.9-129.8-138130.500108.2
560Q34.4Very low36Very low158 Ų158127 Ų12774%0.73876%0.764SS**  cis-151.1143.35173.6165.7110.700110.3
561G28.7Very low36.6Very low75 Ų75125.6 Ų125.677%0.77376%0.763SS**  trans73.1151.6154.300000119.2
562G29.6Very low36.8Very low82 Ų82127.8 Ų127.885%0.84578%0.776SS**  cis169.3152.8-9.100000112.9
563G29.2Very low37.1Very low80 Ų80123.1 Ų123.183%0.82577%0.771SS**  trans109.9137.3166.400000117.3
564S31.6Very low37.1Very low120 Ų120122.6 Ų122.684%0.83977%0.774SS**  trans-135.1173.3165.6-58.50000106.8
565P47Very low35.8Very low116 Ų116121.2 Ų121.275%0.75377%0.773SS**  cis-138.1-163.95.441.7-22.4000114.7
566S32.2Very low35.3Very low113 Ų113127.5 Ų127.579%0.7978%0.782SS**  trans98.615314882.50000122
567R34.3Very low35Very low194 Ų194128.4 Ų128.473%0.73278%0.777SS**  trans-14.2148.2171.9-120.6-177.3178.1-178.29.8119.3Q569R567-Q569 HydrophobicContact CG-CB 4.18Å
568P39.7Very low34.3Very low123 Ų123128.4 Ų128.480%0.79978%0.78SS**  -126.3170.983.638.6-34.5000113.5
569Q31.6Very low34.3Very low124 Ų124127 Ų12758%0.57978%0.776SS**  cis91.479.84.1-162.5177.8-34.100119R567R567-Q569 HydrophobicContact CG-CB 4.18Å
570T36.4Very low34.1Very low125 Ų125124.2 Ų124.277%0.76778%0.782SS**  trans58154.6154.941.20000120.2
571P42.9Very low34.1Very low131 Ų131123.1 Ų123.185%0.85179%0.786SS**  trans-131.7148.5130.637.2-29.1000113.4
572A35.3Very low34.4Very low101 Ų101130.4 Ų130.484%0.83579%0.792SS**  trans-148.4126.7165.500000110.1
573A32.8Very low34.6Very low101 Ų101130.6 Ų130.684%0.83579%0.786SS**  trans-154.2127.2168.400000107.5
574A34.3Very low34.9Very low104 Ų104129.7 Ų129.786%0.8678%0.776SS**  cis97.188.217.600000116
575A33.2Very low35.4Very low91 Ų91130.6 Ų130.675%0.75278%0.777SS**  trans-141.1118.815300000106.2
576R33.4Very low35Very low243 Ų243136.6 Ų136.692%0.91780%0.801SS**  72.9139.770.6-75.6-171.8178.9-160.22.6113.8
577R32.7Very low35.2Very low200 Ų200137.8 Ų137.876%0.75580%0.802SS**  cis-173.9131.9-23.4-158.7-164.4-150.7-151.812.9109.4E579R577-E579 WeakPolarHBondContact CD-OE1 3.4Å; R577-E579 IonicContact CZ-OE1 3.73Å; R577-E579 IonicContact NE-OE1 3.54Å; R577-E579 PolarHBondContact NE-OE1 3.18Å; R577-E579 IonicContact NH1-OE1 3.9Å; R577-E579 PolarHBondContact NH1-OE1 3.15Å
578S34.2Very low35.2Very low108 Ų108134.8 Ų134.876%0.75581%0.806SS**  trans179.8122.2160.749.50000107.3
579E31.3Very low35Very low149 Ų149135.4 Ų135.470%0.69681%0.806SS**  cis58.9118.746.4-57.8171.4-156.500111.2R577R577-E579 WeakPolarHBondContact CD-OE1 3.4Å; R577-E579 IonicContact CZ-OE1 3.73Å; R577-E579 IonicContact NE-OE1 3.54Å; R577-E579 PolarHBondContact NE-OE1 3.18Å; R577-E579 IonicContact NH1-OE1 3.9Å; R577-E579 PolarHBondContact NH1-OE1 3.15Å
580G31.8Very low35.2Very low70 Ų70136.1 Ų136.172%0.72282%0.819SS**  cis-169-169.8-2.700000107.2
581T34.5Very low35.1Very low135 Ų135136.8 Ų136.883%0.82882%0.823SS**  cis172126.5-1.2-860000105.7
582Y33.7Very low34.6Very low228 Ų228137.2 Ų137.289%0.89482%0.821SS**  trans78.9160.9154.1-150.3-105000122.3
583A34.8Very low34.5Very low87 Ų87139.8 Ų139.872%0.71982%0.82SS**  trans66144.2-179.700000117.9
584G35.3Very low34.7Very low61 Ų61142.8 Ų142.863%0.62982%0.818SS**  cis137.6129-12.200000114.2
585T41.6Very low34.7Very low138 Ų138146 Ų14685%0.84782%0.815SS**  trans61.7155.1-178.858.80000115.7
586L39.8Very low34.8Very low242 Ų242151 Ų151100%1.26782%0.821SS**  cis-107.10-0.9-78.7165.5000111.6

Retrieved 586 of 586 residues in 344.5 ms (Link to these results)

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