A0A093J1W1_STRCA Loading...

Stress-activated protein kinase JNK

Responds to activation by environmental stress and pro-inflammatory cytokines by phosphorylating a number of transcription factors, and thus regulates transcriptional activity.

AlphaFold DB , UniProt , Accession A0A093J1W1, Species STRCA (Struthio camelus australis), Gene n/a, Length 424 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
1M34.8Very low56.8Low247 Ų247122.7 Ų122.7100%1.21767%0.669SS**  0110.10-72.1161.1161.800106
2S34.5Very low60Low109 Ų109118.8 Ų118.876%0.76266%0.657SS**  cis-156.2115.210410000105.6S4S2-S4 PolarHBondContact O-N 3.36Å
3D34.2Very low62.7Low164 Ų164113.4 Ų113.488%0.87763%0.629SS**  trans-64.9102.7165.3-86.9-30.5000107K5D3-K5 PolarHBondContact O-N 3.5Å
4S37.1Very low65Low111 Ų111113.4 Ų113.478%0.77662%0.622SS**  trans-68.384.2166.660.20000107.4S2 C6S2-S4 PolarHBondContact O-N 3.36Å; S4-C6 PolarHBondContact O-N 3.45Å
5K38.6Very low66.6Low191 Ų191106.3 Ų106.383%0.8358%0.584SS**  trans-60.287.2158.2-80-177.7176.6179.50106.5D3 D7D3-K5 PolarHBondContact O-N 3.5Å; K5-D7 PolarHBondContact O-N 2.94Å
6C40.6Very low67.6Low114 Ų114104.3 Ų104.377%0.7759%0.585SS**  trans-61.999.2160.2-173.30000104.6S4 S8S4-C6 PolarHBondContact O-N 3.45Å; C6-S8 PolarHBondContact O-N 3.42Å
7D52.3Low68.6Low123 Ų123107.9 Ų107.966%0.65860%0.603SS**  trans-51.2108.4176.3-114.5-43.6000107.3K5 Q9 K24K5-D7 PolarHBondContact O-N 2.94Å; D7-Q9 PolarHBondContact O-N 3.43Å; D7-Q9 VanDerWaalsContact O-N 3.1Å; D7-K24 IonicContact OD1-NZ 3.4Å; D7-K24 PolarHBondContact OD1-NZ 3.32Å
8S73.5Confident69.7Low73 Ų73103.5 Ų103.551%0.5158%0.581SS.*  trans-50.6125.5177.4176.10000107.8C6 F10 K24C6-S8 PolarHBondContact O-N 3.42Å; S8-F10 PolarHBondContact O-N 3.42Å; S8-F10 VanDerWaalsContact O-N 3.12Å; S8-F10 PolarHBondContact OG-N 3.33Å; S8-F10 PolarHBondContact OG-O 3.46Å; S8-F10 VanDerWaalsContact OG-O 3.09Å; S8-K24 WeakPolarHBondContact O-CE 3.5Å; S8-K24 PolarHBondContact O-NZ 2.97Å
9Q89.4Confident71Confident120 Ų120101.3 Ų101.356%0.56157%0.57SS**SBendtrans-63.9-14.4178.2-70.5-177.9-13.300112D7 L23 K24D7-Q9 PolarHBondContact O-N 3.43Å; D7-Q9 VanDerWaalsContact O-N 3.1Å; Q9-L23 HydrophobicContact CB-CD2 4.37Å; Q9-K24 PolarHBondContact O-N 3.05Å
10F94.5Very high72.2Confident33 Ų3396.3 Ų96.315%0.14554%0.542CS..EExtended strand (participates in β ladder)trans-110153.1-179.4-60.3-91.3000112S8 T21 V22 L23 F92 T93 P94S8-F10 PolarHBondContact O-N 3.42Å; S8-F10 VanDerWaalsContact O-N 3.12Å; S8-F10 PolarHBondContact OG-N 3.33Å; S8-F10 PolarHBondContact OG-O 3.46Å; S8-F10 VanDerWaalsContact OG-O 3.09Å; F10-T21 HydrophobicContact CB-CG2 3.85Å; F10-T21 HydrophobicContact CG-CG2 4.47Å; F10-V22 CarbonylContact C-O 3.57Å; F10-V22 WeakPolarHBondContact CA-O 3.43Å; F10-V22 VanDerWaalsContact CD1-C 3.5Å; F10-L23 HydrophobicContact CD1-CD2 4.06Å; F10-L23 HydrophobicContact CD1-CG 4.3Å; F10-L23 HydrophobicContact CE1-CD2 3.49Å; F10-L23 VanDerWaalsContact CE1-CD2 3.49Å; F10-L23 HydrophobicContact CE1-CG 3.75Å; F10-L23 HydrophobicContact CE2-CD2 4.12Å; F10-L23 HydrophobicContact CZ-CD2 3.53Å; F10-L23 HydrophobicContact CZ-CG 4.24Å; F10-F92 HydrophobicContact CD1-CE2 4.44Å; F10-F92 AromaticContact CE1-CD2 3.62Å; F10-F92 HydrophobicContact CE1-CD2 3.62Å; F10-F92 AromaticContact CE1-CE2 3.95Å; F10-F92 HydrophobicContact CE1-CE2 3.95Å; F10-F92 HydrophobicContact CZ-CD2 4.44Å; F10-T93 WeakPolarHBondContact CZ-O 3.46Å; F10-P94 HydrophobicContact CD1-CB 3.83Å; F10-P94 HydrophobicContact CE1-CB 4.05Å; F10-P94 HydrophobicContact CG-CB 4.1Å; F10-P94 HydrophobicContact CZ-CB 4.48Å
11Y95.5Very high73.3Confident65 Ų6593.1 Ų93.126%0.25553%0.525SS..EExtended strand (participates in β ladder)trans-133.1156.5166.576.7-72.6000109.7V13 T21 V22 K24 Y26 L29Y11-V13 HydrophobicContact CD2-CG2 3.69Å; Y11-V13 HydrophobicContact CE2-CG2 3.26Å; Y11-T21 CarbonylContact O-C 3.53Å; Y11-T21 WeakPolarHBondContact O-CA 3.29Å; Y11-V22 HydrophobicContact CD1-CG2 4.12Å; Y11-V22 WeakPolarHBondContact CD1-O 3.19Å; Y11-V22 HydrophobicContact CE1-CG2 3.51Å; Y11-V22 PolarHBondContact N-O 3.48Å; Y11-V22 PolarHBondContact O-N 3.32Å; Y11-K24 HydrophobicContact CD1-CG 4.23Å; Y11-Y26 VanDerWaalsContact CE1-O 3.29Å; Y11-Y26 WeakPolarHBondContact CE1-O 3.49Å; Y11-Y26 PolarHBondContact OH-O 3.41Å; Y11-L29 VanDerWaalsContact OH-CD1 3.27Å; Y11-L29 WeakPolarHBondContact OH-CD1 3.35Å
12S95.4Very high76.2Confident75 Ų7581.4 Ų81.452%0.52447%0.467SS..EExtended strand (participates in β ladder)trans-111.4137.6-177-59.60000111.6F20 T21S12-F20 CarbonylContact C-O 3.54Å; S12-F20 VanDerWaalsContact CA-O 3.22Å; S12-F20 WeakPolarHBondContact CA-O 3.5Å; S12-T21 PolarHBondContact OG-OG1 3.01Å
13V94.8Very high79.1Confident49 Ų4977.5 Ų77.530%0.29744%0.438SS..EExtended strand (participates in β ladder)trans-133.4138.7175.3179.50000108.9Y11 V15 F20Y11-V13 HydrophobicContact CD2-CG2 3.69Å; Y11-V13 HydrophobicContact CE2-CG2 3.26Å; V13-V15 HydrophobicContact CG1-CG2 4.28Å; V13-F20 PolarHBondContact N-O 3.48Å; V13-F20 PolarHBondContact O-N 3.36Å
14Q94.1Very high82.1Confident113 Ų11373.9 Ų73.953%0.52841%0.414SS..EExtended strand (participates in β ladder)trans-80.7122.1172.4-16862.525.600109.6A16 S18 T19Q14-A16 PolarHBondContact NE2-O 2.83Å; Q14-S18 PolarHBondContact NE2-O 3.01Å; Q14-T19 PolarHBondContact OE1-OG1 3.19Å
15V89.8Confident84.8Confident7 Ų771.7 Ų71.74%0.04239%0.389CS..EExtended strand (participates in β ladder)trans-123.9107.3177.5-178.50000108.1V13 D17 S18 F20 P31 I39V13-V15 HydrophobicContact CG1-CG2 4.28Å; V15-D17 PolarHBondContact O-N 3.49Å; V15-S18 CarbonylContact C-O 3.56Å; V15-S18 PolarHBondContact N-O 3.18Å; V15-S18 PolarHBondContact O-N 2.91Å; V15-F20 HydrophobicContact CB-CD2 3.71Å; V15-F20 HydrophobicContact CB-CE2 3.99Å; V15-F20 HydrophobicContact CB-CG 4.45Å; V15-F20 HydrophobicContact CG1-CD2 4.49Å; V15-F20 HydrophobicContact CG1-CE2 4.32Å; V15-F20 HydrophobicContact CG2-CB 4.19Å; V15-F20 HydrophobicContact CG2-CD2 3.78Å; V15-F20 HydrophobicContact CG2-CE2 4.38Å; V15-F20 HydrophobicContact CG2-CG 4.02Å; V15-P31 HydrophobicContact CG1-CB 3.69Å; V15-P31 HydrophobicContact CG1-CG 4.02Å; V15-I39 HydrophobicContact CG1-CG2 4.43Å
16A82.4Confident87.6Confident74 Ų7462.6 Ų62.661%0.61235%0.349SS*.THydrogen-bonded Turntrans49.6-126.1-168.800000110.4Q14 S18Q14-A16 PolarHBondContact NE2-O 2.83Å; A16-S18 VanDerWaalsContact C-N 3.32Å; A16-S18 PolarHBondContact O-N 3.17Å
17D84.1Confident90.2Very high166 Ų16661.4 Ų61.489%0.88833%0.332SS*.THydrogen-bonded Turntrans-89.811.1-178.3-56.2-33.4000113.6V15V15-D17 PolarHBondContact O-N 3.49Å
18S88.8Confident92.3Very high29 Ų2962.8 Ų62.820%0.20334%0.335CS..EExtended strand (participates in β ladder)trans-127.8143-179.6-158.50000113.2Q14 V15 A16Q14-S18 PolarHBondContact NE2-O 3.01Å; V15-S18 CarbonylContact C-O 3.56Å; V15-S18 PolarHBondContact N-O 3.18Å; V15-S18 PolarHBondContact O-N 2.91Å; A16-S18 VanDerWaalsContact C-N 3.32Å; A16-S18 PolarHBondContact O-N 3.17Å
19T93.8Very high93.4Very high62 Ų6260.6 Ų60.638%0.3832%0.317SS..EExtended strand (participates in β ladder)trans-87.5122.5172.7-49.50000110Q14 K56Q14-T19 PolarHBondContact OE1-OG1 3.19Å; T19-K56 PolarHBondContact O-NZ 3.32Å
20F95.8Very high93.6Very high0 Ų061.8 Ų61.80%032%0.321CS..EExtended strand (participates in β ladder)trans-94.9118.9171.5-87.1-117000108.8S12 V13 V15 V22 L29 I39 C41 K56 Y105S12-F20 CarbonylContact C-O 3.54Å; S12-F20 VanDerWaalsContact CA-O 3.22Å; S12-F20 WeakPolarHBondContact CA-O 3.5Å; V13-F20 PolarHBondContact N-O 3.48Å; V13-F20 PolarHBondContact O-N 3.36Å; V15-F20 HydrophobicContact CB-CD2 3.71Å; V15-F20 HydrophobicContact CB-CE2 3.99Å; V15-F20 HydrophobicContact CB-CG 4.45Å; V15-F20 HydrophobicContact CG1-CD2 4.49Å; V15-F20 HydrophobicContact CG1-CE2 4.32Å; V15-F20 HydrophobicContact CG2-CB 4.19Å; V15-F20 HydrophobicContact CG2-CD2 3.78Å; V15-F20 HydrophobicContact CG2-CE2 4.38Å; V15-F20 HydrophobicContact CG2-CG 4.02Å; F20-V22 HydrophobicContact CB-CG1 4.23Å; F20-V22 HydrophobicContact CD1-CG1 4.17Å; F20-L29 HydrophobicContact CB-CD2 3.86Å; F20-L29 HydrophobicContact CD1-CD2 3.74Å; F20-L29 HydrophobicContact CG-CD2 4.07Å; F20-I39 HydrophobicContact CE2-CB 3.86Å; F20-I39 HydrophobicContact CE2-CD1 4.42Å; F20-I39 HydrophobicContact CE2-CG2 3.7Å; F20-I39 HydrophobicContact CZ-CB 3.73Å; F20-I39 HydrophobicContact CZ-CG2 3.63Å; F20-C41 HydrophobicContact CE1-CB 4.32Å; F20-K56 HydrophobicContact CD1-CB 4.46Å; F20-K56 HydrophobicContact CD2-CD 4.38Å; F20-K56 HydrophobicContact CE1-CB 3.77Å; F20-K56 HydrophobicContact CE2-CB 4.23Å; F20-K56 HydrophobicContact CE2-CD 4.25Å; F20-K56 HydrophobicContact CZ-CB 3.63Å; F20-K56 HydrophobicContact CZ-CD 4.47Å; F20-Y105 HydrophobicContact CD1-CD1 4.33Å; F20-Y105 AromaticContact CD1-CE1 3.77Å; F20-Y105 HydrophobicContact CD1-CE1 3.77Å; F20-Y105 HydrophobicContact CE1-CE1 4.23Å; F20-Y105 HydrophobicContact CG-CE1 4.24Å
21T95.8Very high93.5Very high31 Ų3163.8 Ų63.819%0.1934%0.337CS..EExtended strand (participates in β ladder)trans-11299.8173.8-57.90000108.1F10 Y11 S12 P94 Y105F10-T21 HydrophobicContact CB-CG2 3.85Å; F10-T21 HydrophobicContact CG-CG2 4.47Å; Y11-T21 CarbonylContact O-C 3.53Å; Y11-T21 WeakPolarHBondContact O-CA 3.29Å; S12-T21 PolarHBondContact OG-OG1 3.01Å; T21-P94 HydrophobicContact CG2-CB 3.55Å; T21-P94 HydrophobicContact CG2-CG 4.13Å; T21-Y105 PolarHBondContact N-OH 2.79Å
22V96.1Very high93.1Very high0 Ų065 Ų650%035%0.347CS..EExtended strand (participates in β ladder)trans-123.7159.4-166.9-59.40000111.8F10 Y11 F20 L29 V54 F92 Y105F10-V22 CarbonylContact C-O 3.57Å; F10-V22 WeakPolarHBondContact CA-O 3.43Å; F10-V22 VanDerWaalsContact CD1-C 3.5Å; Y11-V22 HydrophobicContact CD1-CG2 4.12Å; Y11-V22 WeakPolarHBondContact CD1-O 3.19Å; Y11-V22 HydrophobicContact CE1-CG2 3.51Å; Y11-V22 PolarHBondContact N-O 3.48Å; Y11-V22 PolarHBondContact O-N 3.32Å; F20-V22 HydrophobicContact CB-CG1 4.23Å; F20-V22 HydrophobicContact CD1-CG1 4.17Å; V22-L29 HydrophobicContact CG1-CD2 4.11Å; V22-L29 HydrophobicContact CG2-CD1 3.97Å; V22-L29 HydrophobicContact CG2-CD2 4.05Å; V22-V54 HydrophobicContact CG1-CG1 4.37Å; V22-F92 HydrophobicContact CB-CE2 4.31Å; V22-F92 HydrophobicContact CB-CZ 3.92Å; V22-F92 HydrophobicContact CG1-CE2 4.39Å; V22-F92 HydrophobicContact CG1-CZ 3.96Å; V22-Y105 HydrophobicContact CG1-CD1 3.98Å; V22-Y105 HydrophobicContact CG1-CE1 3.85Å
23L95.4Very high92.3Very high28 Ų2863 Ų6315%0.14734%0.338CS..EExtended strand (participates in β ladder)trans-58.9140.7175.3-69.2170.9000110.9Q9 F10 R25 Y26 F92Q9-L23 HydrophobicContact CB-CD2 4.37Å; F10-L23 HydrophobicContact CD1-CD2 4.06Å; F10-L23 HydrophobicContact CD1-CG 4.3Å; F10-L23 HydrophobicContact CE1-CD2 3.49Å; F10-L23 VanDerWaalsContact CE1-CD2 3.49Å; F10-L23 HydrophobicContact CE1-CG 3.75Å; F10-L23 HydrophobicContact CE2-CD2 4.12Å; F10-L23 HydrophobicContact CZ-CD2 3.53Å; F10-L23 HydrophobicContact CZ-CG 4.24Å; L23-R25 HydrophobicContact CB-CG 3.95Å; L23-R25 PolarHBondContact O-N 3.35Å; L23-Y26 HydrophobicContact CB-CD2 3.9Å; L23-Y26 HydrophobicContact CB-CE2 3.98Å; L23-Y26 HydrophobicContact CD1-CE2 3.98Å; L23-Y26 HydrophobicContact CG-CE2 4.41Å; L23-Y26 PolarHBondContact O-N 2.96Å; L23-F92 HydrophobicContact CD1-CB 4.49Å; L23-F92 HydrophobicContact CD1-CD1 4.11Å; L23-F92 HydrophobicContact CD1-CG 4.19Å; L23-F92 HydrophobicContact CG-CD1 4.49Å; L23-F92 HydrophobicContact CG-CD2 4.41Å; L23-F92 HydrophobicContact CG-CG 4.35Å
24K95.3Very high91.4Very high88 Ų8865.6 Ų65.638%0.38336%0.359SS..THydrogen-bonded Turntrans-54.7-19.1178.3-77.4176.5171.1169.80114.7D7 S8 Q9 Y11 Y26D7-K24 IonicContact OD1-NZ 3.4Å; D7-K24 PolarHBondContact OD1-NZ 3.32Å; S8-K24 WeakPolarHBondContact O-CE 3.5Å; S8-K24 PolarHBondContact O-NZ 2.97Å; Q9-K24 PolarHBondContact O-N 3.05Å; Y11-K24 HydrophobicContact CD1-CG 4.23Å; K24-Y26 VanDerWaalsContact C-N 3.33Å
25R95.4Very high90.2Very high65 Ų6562.4 Ų62.425%0.24536%0.356CS..THydrogen-bonded Turntrans-68.8-26.9174.671.5-176.7-73.1-180-7.8113.8L23 F44 D45 T46 V47L23-R25 HydrophobicContact CB-CG 3.95Å; L23-R25 PolarHBondContact O-N 3.35Å; R25-F44 VanDerWaalsContact O-O 3.11Å; R25-D45 IonicContact CZ-OD1 3.83Å; R25-D45 IonicContact CZ-OD2 2.75Å; R25-D45 IonicContact NE-OD1 3.55Å; R25-D45 PolarHBondContact NE-OD1 3.35Å; R25-D45 IonicContact NE-OD2 2.62Å; R25-D45 PolarHBondContact NE-OD2 3.15Å; R25-D45 VanDerWaalsContact NH2-CG 3.3Å; R25-D45 IonicContact NH2-OD1 3.05Å; R25-D45 PolarHBondContact NH2-OD1 2.89Å; R25-D45 VanDerWaalsContact NH2-OD1 3.11Å; R25-D45 IonicContact NH2-OD2 3.85Å; R25-D45 PolarHBondContact NH2-OD2 3.07Å; R25-D45 WeakPolarHBondContact O-CA 3.36Å; R25-T46 WeakPolarHBondContact CA-OG1 3.47Å; R25-T46 PolarHBondContact O-N 3.32Å; R25-T46 PolarHBondContact O-OG1 3.44Å; R25-V47 HydrophobicContact CB-CG2 3.97Å
26Y97.2Very high89.1Confident0 Ų067 Ų670%040%0.395CS..EExtended strand (participates in β ladder)trans-94106179.6-55.4-56.8000108.7Y11 L23 K24 L29 F44 D45 V52 V54 N90 F92 V107Y11-Y26 VanDerWaalsContact CE1-O 3.29Å; Y11-Y26 WeakPolarHBondContact CE1-O 3.49Å; Y11-Y26 PolarHBondContact OH-O 3.41Å; L23-Y26 HydrophobicContact CB-CD2 3.9Å; L23-Y26 HydrophobicContact CB-CE2 3.98Å; L23-Y26 HydrophobicContact CD1-CE2 3.98Å; L23-Y26 HydrophobicContact CG-CE2 4.41Å; L23-Y26 PolarHBondContact O-N 2.96Å; K24-Y26 VanDerWaalsContact C-N 3.33Å; Y26-L29 WeakPolarHBondContact O-CD1 3.36Å; Y26-F44 WeakPolarHBondContact CA-O 3.48Å; Y26-D45 HydrophobicContact CD1-CB 4.09Å; Y26-D45 HydrophobicContact CE1-CB 4.1Å; Y26-D45 WeakPolarHBondContact CE1-OD2 3.46Å; Y26-V52 HydrophobicContact CD1-CG2 3.9Å; Y26-V52 HydrophobicContact CE1-CG2 4.16Å; Y26-V54 HydrophobicContact CG-CG2 4.47Å; Y26-N90 VanDerWaalsContact OH-CB 3.27Å; Y26-N90 WeakPolarHBondContact OH-CB 3.39Å; Y26-N90 PolarHBondContact OH-ND2 3.32Å; Y26-F92 AromaticContact CD2-CE1 3.94Å; Y26-F92 HydrophobicContact CD2-CE1 3.94Å; Y26-F92 HydrophobicContact CD2-CZ 4.23Å; Y26-F92 HydrophobicContact CE2-CD1 4.06Å; Y26-F92 AromaticContact CE2-CE1 3.44Å; Y26-F92 HydrophobicContact CE2-CE1 3.44Å; Y26-F92 VanDerWaalsContact CE2-CE1 3.44Å; Y26-F92 HydrophobicContact CE2-CZ 4.16Å; Y26-V107 HydrophobicContact CE1-CG1 3.86Å; Y26-V107 HydrophobicContact CE1-CG2 4.34Å; Y26-V107 HydrophobicContact CE2-CG2 3.9Å
27Q95.7Very high88.5Confident88 Ų8865.6 Ų65.641%0.41138%0.375SS..EExtended strand (participates in β ladder)trans-110.5166.5-175.1-61.5-173.5-100111.3L29 A43 F44 T46Q27-L29 PolarHBondContact O-N 3.23Å; Q27-A43 CarbonylContact O-C 3.57Å; Q27-A43 WeakPolarHBondContact O-CA 3.49Å; Q27-A43 WeakPolarHBondContact O-CB 3.04Å; Q27-F44 PolarHBondContact N-O 3.38Å; Q27-F44 PolarHBondContact O-N 3.34Å; Q27-T46 HydrophobicContact CB-CG2 4.47Å; Q27-T46 VanDerWaalsContact CD-CG2 3.4Å; Q27-T46 HydrophobicContact CG-CG2 3.86Å
28Q95Very high88.4Confident153 Ų15357.9 Ų57.972%0.71534%0.335SS*.EExtended strand (participates in β ladder)trans57.145.5173.2-56.2176.5-19.700113.5K30Q28-K30 PolarHBondContact O-N 2.89Å
29L96.1Very high88.3Confident27 Ų2757.6 Ų57.614%0.14133%0.331CS..EExtended strand (participates in β ladder)trans-58.7123179.5-87.572.4000110.8Y11 F20 V22 Y26 Q27 C41 A42 A43Y11-L29 VanDerWaalsContact OH-CD1 3.27Å; Y11-L29 WeakPolarHBondContact OH-CD1 3.35Å; F20-L29 HydrophobicContact CB-CD2 3.86Å; F20-L29 HydrophobicContact CD1-CD2 3.74Å; F20-L29 HydrophobicContact CG-CD2 4.07Å; V22-L29 HydrophobicContact CG1-CD2 4.11Å; V22-L29 HydrophobicContact CG2-CD1 3.97Å; V22-L29 HydrophobicContact CG2-CD2 4.05Å; Y26-L29 WeakPolarHBondContact O-CD1 3.36Å; Q27-L29 PolarHBondContact O-N 3.23Å; L29-C41 HydrophobicContact CB-CB 4.34Å; L29-C41 HydrophobicContact CD2-CB 4.36Å; L29-C41 HydrophobicContact CG-CB 4.19Å; L29-A42 CarbonylContact C-O 3.58Å; L29-A42 VanDerWaalsContact CA-O 3.32Å; L29-A42 WeakPolarHBondContact CA-O 3.4Å; L29-A43 HydrophobicContact CD1-CB 3.99Å; L29-A43 HydrophobicContact CG-CB 4.26Å
30K94.4Very high88.2Confident144 Ų14456.1 Ų56.163%0.62632%0.322SS*.EExtended strand (participates in β ladder)trans-126.9123.9175.3-175.6-179.8178.1-176.30109.5Q28 I32 C41 A42Q28-K30 PolarHBondContact O-N 2.89Å; K30-I32 PolarHBondContact O-N 2.91Å; K30-C41 CarbonylContact O-C 3.51Å; K30-C41 WeakPolarHBondContact O-CA 3.33Å; K30-A42 PolarHBondContact N-O 2.81Å; K30-A42 PolarHBondContact O-N 3.11Å
31P91.9Very high88.2Confident75 Ų7556.1 Ų56.149%0.48732%0.322SS..EExtended strand (participates in β ladder)trans-62.5130.7176.724.6-31.3000110.4V15V15-P31 HydrophobicContact CG1-CB 3.69Å; V15-P31 HydrophobicContact CG1-CG 4.02Å
32I87.6Confident88.2Confident90 Ų9055.5 Ų55.546%0.46232%0.32SS..EExtended strand (participates in β ladder)trans-122.9-17.4177.760.5173.5000112.9K30 V40 A42 L110K30-I32 PolarHBondContact O-N 2.91Å; I32-V40 HydrophobicContact CD1-CG1 3.89Å; I32-V40 HydrophobicContact CG1-CB 4.13Å; I32-V40 HydrophobicContact CG1-CG1 3.87Å; I32-V40 WeakPolarHBondContact CG1-O 3.4Å; I32-V40 PolarHBondContact N-O 2.97Å; I32-A42 HydrophobicContact CD1-CB 4.28Å; I32-A42 HydrophobicContact CG2-CB 3.75Å; I32-L110 HydrophobicContact CD1-CD1 3.59Å
33G79.8Confident88.3Confident34 Ų3455.6 Ų55.635%0.35132%0.321SS..EExtended strand (participates in β ladder)trans-162149.7177.300000112.5V40G33-V40 PolarHBondContact N-O 3.12Å; G33-V40 PolarHBondContact O-N 2.86Å
34S75.8Confident88.4Confident104 Ų10457.5 Ų57.573%0.72733%0.328SS*.EExtended strand (participates in β ladder)trans-137.7135.5172.3-177.60000108.4
35G68.8Low88.5Confident45 Ų4553.3 Ų53.346%0.46431%0.31SS..EExtended strand (participates in β ladder)trans-156.7179.6179.700000112.2Q37 G38G35-Q37 PolarHBondContact O-N 3.27Å; G35-G38 PolarHBondContact N-O 2.96Å; G35-G38 PolarHBondContact O-N 2.67Å; G35-G38 VanDerWaalsContact O-N 3.16Å
36A66.8Low88.5Confident104 Ų10453.2 Ų53.286%0.8632%0.317SS*.THydrogen-bonded Turntrans-58.3-20.5-176.800000114.3
37Q69.3Low88.4Confident44 Ų4458 Ų5821%0.20635%0.346CS..THydrogen-bonded Turntrans-98.5-14.8-175.1-61.8163.832.300113.6G35 L57 S58 D169G35-Q37 PolarHBondContact O-N 3.27Å; Q37-L57 WeakPolarHBondContact O-CA 3.48Å; Q37-S58 PolarHBondContact O-N 2.95Å; Q37-D169 PolarHBondContact NE2-OD2 2.96Å; Q37-D169 PolarHBondContact OE1-OD1 2.84Å; Q37-D169 PolarHBondContact OE1-OD2 2.86Å
38G81.2Confident88.2Confident4 Ų458.1 Ų58.14%0.04135%0.349CS..EExtended strand (participates in β ladder)trans161.1170.4-167.200000114.5G35 K56 S58G35-G38 PolarHBondContact N-O 2.96Å; G35-G38 PolarHBondContact O-N 2.67Å; G35-G38 VanDerWaalsContact O-N 3.16Å; G38-K56 CarbonylContact C-O 3.6Å; G38-K56 WeakPolarHBondContact CA-O 3.05Å; G38-S58 VanDerWaalsContact CA-OG 3.26Å; G38-S58 WeakPolarHBondContact CA-OG 3.47Å; G38-S58 PolarHBondContact N-OG 3.32Å
39I88.3Confident88.2Confident23 Ų2353.1 Ų53.112%0.11834%0.338CS..EExtended strand (participates in β ladder)trans-107.5137.8169.6-60.2166.8000107.3V15 F20 K55 K56V15-I39 HydrophobicContact CG1-CG2 4.43Å; F20-I39 HydrophobicContact CE2-CB 3.86Å; F20-I39 HydrophobicContact CE2-CD1 4.42Å; F20-I39 HydrophobicContact CE2-CG2 3.7Å; F20-I39 HydrophobicContact CZ-CB 3.73Å; F20-I39 HydrophobicContact CZ-CG2 3.63Å; I39-K55 WeakPolarHBondContact O-CA 3.11Å; I39-K56 PolarHBondContact N-O 3.04Å; I39-K56 VanDerWaalsContact N-O 3.16Å; I39-K56 PolarHBondContact O-N 2.95Å
40V91.3Very high88.2Confident32 Ų3255.5 Ų55.519%0.19435%0.35CS..EExtended strand (participates in β ladder)trans-115.8128.7-180-168.90000109.4I32 G33 A53 V54 K55I32-V40 HydrophobicContact CD1-CG1 3.89Å; I32-V40 HydrophobicContact CG1-CB 4.13Å; I32-V40 HydrophobicContact CG1-CG1 3.87Å; I32-V40 WeakPolarHBondContact CG1-O 3.4Å; I32-V40 PolarHBondContact N-O 2.97Å; G33-V40 PolarHBondContact N-O 3.12Å; G33-V40 PolarHBondContact O-N 2.86Å; V40-A53 HydrophobicContact CG1-CB 4.15Å; V40-V54 WeakPolarHBondContact CA-O 3.4Å; V40-K55 HydrophobicContact CG2-CB 4.09Å; V40-K55 HydrophobicContact CG2-CG 4Å
41C95Very high88.3Confident0 Ų053.1 Ų53.10%034%0.344CS..EExtended strand (participates in β ladder)trans-113.2141.5171.3-63.90000110.9F20 L29 K30 A53 V54F20-C41 HydrophobicContact CE1-CB 4.32Å; L29-C41 HydrophobicContact CB-CB 4.34Å; L29-C41 HydrophobicContact CD2-CB 4.36Å; L29-C41 HydrophobicContact CG-CB 4.19Å; K30-C41 CarbonylContact O-C 3.51Å; K30-C41 WeakPolarHBondContact O-CA 3.33Å; C41-A53 CarbonylContact O-C 3.58Å; C41-A53 WeakPolarHBondContact O-CA 3.29Å; C41-V54 PolarHBondContact N-O 2.9Å; C41-V54 PolarHBondContact O-N 3.1Å
42A96.1Very high88.5Confident17 Ų1749.6 Ų49.614%0.1432%0.321CS..EExtended strand (participates in β ladder)trans-72.1143.4155.100000108.8L29 K30 I32 V52 L110L29-A42 CarbonylContact C-O 3.58Å; L29-A42 VanDerWaalsContact CA-O 3.32Å; L29-A42 WeakPolarHBondContact CA-O 3.4Å; K30-A42 PolarHBondContact N-O 2.81Å; K30-A42 PolarHBondContact O-N 3.11Å; I32-A42 HydrophobicContact CD1-CB 4.28Å; I32-A42 HydrophobicContact CG2-CB 3.75Å; A42-V52 CarbonylContact C-O 3.58Å; A42-V52 WeakPolarHBondContact CA-O 3.41Å; A42-L110 HydrophobicContact CB-CD1 4.02Å; A42-L110 HydrophobicContact CB-CD2 3.95Å
43A97.4Very high88.9Confident3 Ų345.8 Ų45.83%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-146.9155.9172.700000109.8Q27 L29 N51 V52 V54Q27-A43 CarbonylContact O-C 3.57Å; Q27-A43 WeakPolarHBondContact O-CA 3.49Å; Q27-A43 WeakPolarHBondContact O-CB 3.04Å; L29-A43 HydrophobicContact CD1-CB 3.99Å; L29-A43 HydrophobicContact CG-CB 4.26Å; A43-N51 CarbonylContact O-C 3.58Å; A43-N51 WeakPolarHBondContact O-CA 3.46Å; A43-V52 HydrophobicContact CB-CG2 4.22Å; A43-V52 PolarHBondContact N-O 2.8Å; A43-V52 WeakPolarHBondContact O-CG2 3.27Å; A43-V52 PolarHBondContact O-N 3.38Å; A43-V54 HydrophobicContact CB-CG2 4Å
44F97.6Very high89.7Confident67 Ų6744.1 Ų44.129%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-92.4123.7169.7-177.2-106.7000109.4R25 Y26 Q27 T46R25-F44 VanDerWaalsContact O-O 3.11Å; Y26-F44 WeakPolarHBondContact CA-O 3.48Å; Q27-F44 PolarHBondContact N-O 3.38Å; Q27-F44 PolarHBondContact O-N 3.34Å; F44-T46 HydrophobicContact CD1-CG2 3.94Å; F44-T46 HydrophobicContact CE1-CG2 4.14Å
45D97.4Very high90.5Very high1 Ų140 Ų401%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-87.9106174.5-173.9-14.7000110.1R25 Y26 V47 L48 G49 I50 V52R25-D45 IonicContact CZ-OD1 3.83Å; R25-D45 IonicContact CZ-OD2 2.75Å; R25-D45 IonicContact NE-OD1 3.55Å; R25-D45 PolarHBondContact NE-OD1 3.35Å; R25-D45 IonicContact NE-OD2 2.62Å; R25-D45 PolarHBondContact NE-OD2 3.15Å; R25-D45 VanDerWaalsContact NH2-CG 3.3Å; R25-D45 IonicContact NH2-OD1 3.05Å; R25-D45 PolarHBondContact NH2-OD1 2.89Å; R25-D45 VanDerWaalsContact NH2-OD1 3.11Å; R25-D45 IonicContact NH2-OD2 3.85Å; R25-D45 PolarHBondContact NH2-OD2 3.07Å; R25-D45 WeakPolarHBondContact O-CA 3.36Å; Y26-D45 HydrophobicContact CD1-CB 4.09Å; Y26-D45 HydrophobicContact CE1-CB 4.1Å; Y26-D45 WeakPolarHBondContact CE1-OD2 3.46Å; D45-V47 PolarHBondContact O-N 3Å; D45-V47 PolarHBondContact OD1-N 2.65Å; D45-L48 HydrophobicContact CB-CB 4.33Å; D45-L48 PolarHBondContact O-N 3.4Å; D45-L48 PolarHBondContact OD1-N 3.23Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.47Å; D45-G49 WeakPolarHBondContact O-CA 3.47Å; D45-G49 PolarHBondContact O-N 2.71Å; D45-I50 PolarHBondContact N-O 2.86Å; D45-V52 HydrophobicContact CB-CG1 3.98Å; D45-V52 HydrophobicContact CB-CG2 4.23Å
46T96.3Very high91.7Very high63 Ų6339 Ų3939%0.38724%0.238SC..THydrogen-bonded Turntrans-68.4-15-176.361.50000114.4R25 Q27 F44R25-T46 WeakPolarHBondContact CA-OG1 3.47Å; R25-T46 PolarHBondContact O-N 3.32Å; R25-T46 PolarHBondContact O-OG1 3.44Å; Q27-T46 HydrophobicContact CB-CG2 4.47Å; Q27-T46 VanDerWaalsContact CD-CG2 3.4Å; Q27-T46 HydrophobicContact CG-CG2 3.86Å; F44-T46 HydrophobicContact CD1-CG2 3.94Å; F44-T46 HydrophobicContact CE1-CG2 4.14Å
47V94.1Very high92.8Very high100 Ų10034.5 Ų34.561%0.60620%0.199SC*.THydrogen-bonded Turntrans-87.2-40.9178174.50000110.8R25 D45R25-V47 HydrophobicContact CB-CG2 3.97Å; D45-V47 PolarHBondContact O-N 3Å; D45-V47 PolarHBondContact OD1-N 2.65Å
48L93.1Very high93.4Very high91 Ų9134.8 Ų34.848%0.47621%0.206SC..THydrogen-bonded Turntrans-88.2-18.5178.9-65179.1000113D45 I50D45-L48 HydrophobicContact CB-CB 4.33Å; D45-L48 PolarHBondContact O-N 3.4Å; D45-L48 PolarHBondContact OD1-N 3.23Å; D45-L48 WeakPolarHBondContact OD2-CD1 3.47Å; L48-I50 VanDerWaalsContact C-N 3.27Å; L48-I50 HydrophobicContact CB-CD1 4.15Å; L48-I50 HydrophobicContact CB-CG1 3.77Å; L48-I50 HydrophobicContact CD1-CD1 4.09Å; L48-I50 HydrophobicContact CD1-CG1 4.38Å; L48-I50 PolarHBondContact O-N 2.85Å
49G95Very high93.4Very high47 Ų4743 Ų4349%0.48524%0.236SC..THydrogen-bonded Turntrans70.621.5-176.500000113.8D45D45-G49 WeakPolarHBondContact O-CA 3.47Å; D45-G49 PolarHBondContact O-N 2.71Å
50I95.1Very high93.4Very high78 Ų7842.2 Ų42.240%0.423%0.232SC..EExtended strand (participates in β ladder)trans-127.2158.3-176.766.9177.7000111.5D45 L48 V52 L89D45-I50 PolarHBondContact N-O 2.86Å; L48-I50 VanDerWaalsContact C-N 3.27Å; L48-I50 HydrophobicContact CB-CD1 4.15Å; L48-I50 HydrophobicContact CB-CG1 3.77Å; L48-I50 HydrophobicContact CD1-CD1 4.09Å; L48-I50 HydrophobicContact CD1-CG1 4.38Å; L48-I50 PolarHBondContact O-N 2.85Å; I50-V52 HydrophobicContact CD1-CG1 4.43Å; I50-V52 HydrophobicContact CG1-CG1 4.11Å; I50-L89 HydrophobicContact CD1-CD1 4.44Å
51N96.6Very high93.4Very high94 Ų9442.2 Ų42.250%0.50323%0.23SC..EExtended strand (participates in β ladder)trans-78.4140.1169.4-66.2-44000110.8A43 L110A43-N51 CarbonylContact O-C 3.58Å; A43-N51 WeakPolarHBondContact O-CA 3.46Å; N51-L110 HydrophobicContact CB-CB 4.26Å; N51-L110 HydrophobicContact CB-CD2 3.58Å
52V96.9Very high93Very high0 Ų046.9 Ų46.90%025%0.252CS..EExtended strand (participates in β ladder)trans-131.6157.4-177.8-61.70000111Y26 A42 A43 D45 I50 V54 L89 V107 M108Y26-V52 HydrophobicContact CD1-CG2 3.9Å; Y26-V52 HydrophobicContact CE1-CG2 4.16Å; A42-V52 CarbonylContact C-O 3.58Å; A42-V52 WeakPolarHBondContact CA-O 3.41Å; A43-V52 HydrophobicContact CB-CG2 4.22Å; A43-V52 PolarHBondContact N-O 2.8Å; A43-V52 WeakPolarHBondContact O-CG2 3.27Å; A43-V52 PolarHBondContact O-N 3.38Å; D45-V52 HydrophobicContact CB-CG1 3.98Å; D45-V52 HydrophobicContact CB-CG2 4.23Å; I50-V52 HydrophobicContact CD1-CG1 4.43Å; I50-V52 HydrophobicContact CG1-CG1 4.11Å; V52-V54 HydrophobicContact CG2-CG2 4.19Å; V52-L89 HydrophobicContact CG1-CD1 3.74Å; V52-V107 HydrophobicContact CB-CG1 3.81Å; V52-V107 HydrophobicContact CG1-CG1 4.23Å; V52-V107 HydrophobicContact CG2-CG1 3.82Å; V52-M108 WeakPolarHBondContact CA-O 3.29Å; V52-M108 WeakPolarHBondContact CB-O 3.27Å
53A95.8Very high92.6Very high10 Ų1048.5 Ų48.58%0.08326%0.258CS..EExtended strand (participates in β ladder)trans-100122.4169.900000109.8V40 C41 V107 M108 L110V40-A53 HydrophobicContact CG1-CB 4.15Å; C41-A53 CarbonylContact O-C 3.58Å; C41-A53 WeakPolarHBondContact O-CA 3.29Å; A53-V107 CarbonylContact O-C 3.58Å; A53-V107 WeakPolarHBondContact O-CA 3.27Å; A53-M108 PolarHBondContact N-O 2.87Å; A53-M108 PolarHBondContact O-N 3.5Å; A53-L110 HydrophobicContact CB-CD1 4.02Å
54V95.6Very high92.1Very high0 Ų053.2 Ų53.20%028%0.279CS..EExtended strand (participates in β ladder)trans-106.9106.1177.5-175.10000109V22 Y26 V40 C41 A43 V52 Y105 L106 V107V22-V54 HydrophobicContact CG1-CG1 4.37Å; Y26-V54 HydrophobicContact CG-CG2 4.47Å; V40-V54 WeakPolarHBondContact CA-O 3.4Å; C41-V54 PolarHBondContact N-O 2.9Å; C41-V54 PolarHBondContact O-N 3.1Å; A43-V54 HydrophobicContact CB-CG2 4Å; V52-V54 HydrophobicContact CG2-CG2 4.19Å; V54-Y105 HydrophobicContact CG1-CD1 4Å; V54-L106 CarbonylContact C-O 3.43Å; V54-L106 WeakPolarHBondContact CA-O 3.06Å; V54-V107 HydrophobicContact CG2-CG1 4.47Å; V54-V107 HydrophobicContact CG2-CG2 4.31Å
55K93.3Very high91.5Very high18 Ų1854.8 Ų54.88%0.07829%0.294CS..EExtended strand (participates in β ladder)trans-95117.5175.7-178.6-179.1-174.5-177.10109.8I39 V40 L57 E73 Y105 L106 M108I39-K55 WeakPolarHBondContact O-CA 3.11Å; V40-K55 HydrophobicContact CG2-CB 4.09Å; V40-K55 HydrophobicContact CG2-CG 4Å; K55-L57 HydrophobicContact CD-CD2 4.21Å; K55-L57 HydrophobicContact CG-CD2 4.35Å; K55-E73 IonicContact NZ-OE1 3.98Å; K55-E73 PolarHBondContact NZ-OE1 2.77Å; K55-E73 IonicContact NZ-OE2 2.58Å; K55-Y105 CarbonylContact O-C 3.58Å; K55-Y105 WeakPolarHBondContact O-CA 3.39Å; K55-L106 HydrophobicContact CB-CB 4.38Å; K55-L106 PolarHBondContact N-O 2.58Å; K55-L106 PolarHBondContact O-N 2.8Å; K55-M108 HydrophobicContact CB-CE 3.72Å; K55-M108 HydrophobicContact CD-CE 4.24Å
56K93.4Very high90.9Very high23 Ų2358.1 Ų58.110%0.131%0.31CS..EExtended strand (participates in β ladder)trans-88.5120.2167.7-176.2-177.1-176.7-1800109.1T19 F20 G38 I39 S58 D103 Y105T19-K56 PolarHBondContact O-NZ 3.32Å; F20-K56 HydrophobicContact CD1-CB 4.46Å; F20-K56 HydrophobicContact CD2-CD 4.38Å; F20-K56 HydrophobicContact CE1-CB 3.77Å; F20-K56 HydrophobicContact CE2-CB 4.23Å; F20-K56 HydrophobicContact CE2-CD 4.25Å; F20-K56 HydrophobicContact CZ-CB 3.63Å; F20-K56 HydrophobicContact CZ-CD 4.47Å; G38-K56 CarbonylContact C-O 3.6Å; G38-K56 WeakPolarHBondContact CA-O 3.05Å; I39-K56 PolarHBondContact N-O 3.04Å; I39-K56 VanDerWaalsContact N-O 3.16Å; I39-K56 PolarHBondContact O-N 2.95Å; K56-S58 PolarHBondContact O-N 3.04Å; K56-D103 VanDerWaalsContact CE-CG 3.46Å; K56-D103 WeakPolarHBondContact CE-OD1 3.33Å; K56-D103 IonicContact NZ-OD1 3.72Å; K56-D103 PolarHBondContact NZ-OD1 2.88Å; K56-D103 IonicContact NZ-OD2 3.96Å; K56-Y105 HydrophobicContact CB-CD1 3.88Å; K56-Y105 HydrophobicContact CB-CE1 3.68Å; K56-Y105 HydrophobicContact CD-CE1 3.8Å; K56-Y105 WeakPolarHBondContact CD-OH 3.22Å; K56-Y105 WeakPolarHBondContact CE-OH 3.26Å; K56-Y105 HydrophobicContact CG-CD1 4.14Å; K56-Y105 HydrophobicContact CG-CE1 3.64Å; K56-Y105 HydrophobicContact CG-CE2 4.5Å
57L89.9Confident90.5Very high9 Ų955.1 Ų55.15%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-69129.4176.3-62.2-170.9000110.8Q37 K55 R59 P60 A70 V104 L106Q37-L57 WeakPolarHBondContact O-CA 3.48Å; K55-L57 HydrophobicContact CD-CD2 4.21Å; K55-L57 HydrophobicContact CG-CD2 4.35Å; L57-R59 PolarHBondContact O-N 3.03Å; L57-P60 HydrophobicContact CB-CB 4.46Å; L57-P60 HydrophobicContact CB-CG 4.37Å; L57-A70 HydrophobicContact CD1-CB 3.86Å; L57-V104 HydrophobicContact CB-CB 4.43Å; L57-V104 HydrophobicContact CD1-CB 4Å; L57-V104 HydrophobicContact CD1-CG1 4.09Å; L57-V104 HydrophobicContact CG-CB 4.25Å; L57-V104 HydrophobicContact CG-CG1 4.49Å; L57-V104 PolarHBondContact N-O 3Å; L57-L106 HydrophobicContact CD2-CD1 4.01Å; L57-L106 HydrophobicContact CG-CD1 4.43Å
58S81.5Confident90.2Very high50 Ų5052.7 Ų52.735%0.3527%0.273SS..SBendtrans-83.8109.3-179.9-70.70000111.4Q37 G38 K56Q37-S58 PolarHBondContact O-N 2.95Å; G38-S58 VanDerWaalsContact CA-OG 3.26Å; G38-S58 WeakPolarHBondContact CA-OG 3.47Å; G38-S58 PolarHBondContact N-OG 3.32Å; K56-S58 PolarHBondContact O-N 3.04Å
59R82.8Confident89.8Confident178 Ų17851.2 Ų51.267%0.67226%0.261SS*.  trans47.257.8174.2-58.9-179.7-71.1-176.3-4.8113L57 F61 Q62L57-R59 PolarHBondContact O-N 3.03Å; R59-F61 PolarHBondContact O-N 3.26Å; R59-F61 VanDerWaalsContact O-N 3.12Å; R59-Q62 HydrophobicContact CB-CB 4.15Å; R59-Q62 WeakPolarHBondContact O-CB 3.47Å; R59-Q62 PolarHBondContact O-N 3.39Å; R59-Q62 VanDerWaalsContact O-N 3.15Å
60P87.9Confident89.4Confident5 Ų549.2 Ų49.23%0.03224%0.24CC..THydrogen-bonded Turntrans-59.8-26.1-176.724.9-33.9000112.9L57 H66 A67 A70L57-P60 HydrophobicContact CB-CB 4.46Å; L57-P60 HydrophobicContact CB-CG 4.37Å; P60-H66 CarbonylContact O-C 3.12Å; P60-H66 WeakPolarHBondContact O-CB 3.21Å; P60-A67 WeakPolarHBondContact O-CA 3.26Å; P60-A67 PolarHBondContact O-N 2.84Å; P60-A70 HydrophobicContact CB-CB 3.69Å
61F91.1Very high89.1Confident33 Ų3346.3 Ų46.315%0.14522%0.224CC..THydrogen-bonded Turntrans-9815.8-178.4-44.7-60.8000114.2R59 N63 A67 F101 I349 K353 I356R59-F61 PolarHBondContact O-N 3.26Å; R59-F61 VanDerWaalsContact O-N 3.12Å; F61-N63 VanDerWaalsContact C-N 3.31Å; F61-N63 PolarHBondContact O-N 3.23Å; F61-A67 HydrophobicContact CD1-CB 4.49Å; F61-F101 HydrophobicContact CE1-CE1 4.08Å; F61-F101 AromaticContact CE2-CD1 3.96Å; F61-F101 HydrophobicContact CE2-CD1 3.96Å; F61-F101 AromaticContact CE2-CE1 3.81Å; F61-F101 HydrophobicContact CE2-CE1 3.81Å; F61-F101 HydrophobicContact CE2-CG 4.43Å; F61-F101 HydrophobicContact CE2-CZ 4.13Å; F61-F101 AromaticContact CZ-CD1 3.79Å; F61-F101 HydrophobicContact CZ-CD1 3.79Å; F61-F101 AromaticContact CZ-CE1 3.22Å; F61-F101 HydrophobicContact CZ-CE1 3.22Å; F61-F101 HydrophobicContact CZ-CE2 4.43Å; F61-F101 AromaticContact CZ-CZ 3.61Å; F61-F101 HydrophobicContact CZ-CZ 3.61Å; F61-I349 HydrophobicContact CB-CG2 3.96Å; F61-I349 WeakPolarHBondContact O-CG2 3.35Å; F61-K353 HydrophobicContact CD1-CB 3.92Å; F61-K353 HydrophobicContact CD1-CG 4.05Å; F61-K353 HydrophobicContact CD2-CG 4.37Å; F61-K353 HydrophobicContact CE1-CB 4.01Å; F61-K353 HydrophobicContact CE1-CG 3.97Å; F61-K353 HydrophobicContact CE2-CG 4.29Å; F61-K353 HydrophobicContact CG-CB 4.47Å; F61-K353 HydrophobicContact CG-CG 4.28Å; F61-K353 HydrophobicContact CZ-CG 4.13Å; F61-I356 HydrophobicContact CD1-CD1 4.47Å; F61-I356 HydrophobicContact CE1-CB 4.34Å; F61-I356 HydrophobicContact CE1-CD1 3.63Å; F61-I356 HydrophobicContact CZ-CD1 4.43Å; F61-I356 HydrophobicContact CZ-CG2 4.44Å
62Q87.3Confident88.6Confident98 Ų9842.1 Ų42.146%0.45820%0.201SC..SBendtrans-64.4-36-178.3-177.3178.8-11.600113R59R59-Q62 HydrophobicContact CB-CB 4.15Å; R59-Q62 WeakPolarHBondContact O-CB 3.47Å; R59-Q62 PolarHBondContact O-N 3.39Å; R59-Q62 VanDerWaalsContact O-N 3.15Å
63N87.3Confident88.1Confident50 Ų5042.4 Ų42.427%0.26720%0.203SC..SBendtrans-156167.1177.960.258.5000109.7F61 T65 H66 A67F61-N63 VanDerWaalsContact C-N 3.31Å; F61-N63 PolarHBondContact O-N 3.23Å; N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 2.63Å; N63-T65 WeakPolarHBondContact OD1-CA 3.49Å; N63-T65 WeakPolarHBondContact OD1-CB 3.27Å; N63-T65 PolarHBondContact OD1-N 3.12Å; N63-T65 VanDerWaalsContact OD1-N 3.11Å; N63-H66 PolarHBondContact O-N 2.58Å; N63-H66 PolarHBondContact OD1-CD2 2.7Å; N63-H66 PolarHBondContact OD1-N 3.17Å; N63-A67 PolarHBondContact O-N 2.96Å
64Q87.2Confident87.8Confident103 Ų10342.1 Ų42.148%0.48120%0.199SC..Hα-helixtrans-58-36.5-178.5-66.4177.47.900112.8A67 K68 I349Q64-A67 PolarHBondContact O-N 3.09Å; Q64-K68 VanDerWaalsContact O-CB 3.28Å; Q64-K68 WeakPolarHBondContact O-CB 3.38Å; Q64-K68 PolarHBondContact O-N 2.86Å; Q64-I349 HydrophobicContact CG-CG1 3.81Å
65T83.5Confident87.3Confident99 Ų9942.8 Ų42.861%0.60720%0.204SC*.Hα-helixtrans-64.9-43.9178.8-54.60000111.9N63 R69N63-T65 VanDerWaalsContact C-N 3.26Å; N63-T65 PolarHBondContact O-N 2.63Å; N63-T65 WeakPolarHBondContact OD1-CA 3.49Å; N63-T65 WeakPolarHBondContact OD1-CB 3.27Å; N63-T65 PolarHBondContact OD1-N 3.12Å; N63-T65 VanDerWaalsContact OD1-N 3.11Å; T65-R69 WeakPolarHBondContact O-CB 3.45Å; T65-R69 PolarHBondContact O-N 3.22Å
66H84.7Confident86.9Confident71 Ų7142.3 Ų42.333%0.32920%0.202SC..Hα-helixtrans-66-41.5176.2-71.2-169.8000111P60 N63 R69 A70P60-H66 CarbonylContact O-C 3.12Å; P60-H66 WeakPolarHBondContact O-CB 3.21Å; N63-H66 PolarHBondContact O-N 2.58Å; N63-H66 PolarHBondContact OD1-CD2 2.7Å; N63-H66 PolarHBondContact OD1-N 3.17Å; H66-R69 PolarHBondContact O-N 2.9Å; H66-A70 WeakPolarHBondContact O-CB 3.49Å; H66-A70 PolarHBondContact O-N 3.17Å
67A89.4Confident86.6Confident0 Ų041.5 Ų41.50%020%0.199CC..Hα-helixtrans-68-48.4-177.400000111.1P60 F61 N63 Q64 R69 A70 Y71 W352 I356P60-A67 WeakPolarHBondContact O-CA 3.26Å; P60-A67 PolarHBondContact O-N 2.84Å; F61-A67 HydrophobicContact CD1-CB 4.49Å; N63-A67 PolarHBondContact O-N 2.96Å; Q64-A67 PolarHBondContact O-N 3.09Å; A67-R69 VanDerWaalsContact C-N 3.28Å; A67-R69 PolarHBondContact O-N 3.39Å; A67-A70 PolarHBondContact O-N 3.02Å; A67-Y71 PolarHBondContact O-N 3.44Å; A67-W352 HydrophobicContact CB-CB 3.58Å; A67-W352 HydrophobicContact CB-CG 3.82Å; A67-I356 WeakPolarHBondContact O-CD1 3.37Å
68K86.6Confident86.4Confident50 Ų5043 Ų4322%0.21721%0.205CC..Hα-helixtrans-58.9-39.2173.6-174166.8-174.8162.40112Q64 R72 E343 R345 W352Q64-K68 VanDerWaalsContact O-CB 3.28Å; Q64-K68 WeakPolarHBondContact O-CB 3.38Å; Q64-K68 PolarHBondContact O-N 2.86Å; K68-R72 WeakPolarHBondContact O-CB 3.29Å; K68-R72 PolarHBondContact O-N 3.11Å; K68-E343 PolarHBondContact NZ-O 2.87Å; K68-R345 PolarHBondContact NZ-O 2.78Å; K68-W352 HydrophobicContact CB-CD2 4.46Å; K68-W352 HydrophobicContact CB-CH2 4.43Å; K68-W352 HydrophobicContact CB-CZ2 3.8Å; K68-W352 HydrophobicContact CD-CH2 4.4Å; K68-W352 HydrophobicContact CD-CZ2 3.77Å; K68-W352 HydrophobicContact CG-CH2 3.99Å; K68-W352 HydrophobicContact CG-CZ2 3.62Å
69R84.2Confident86.4Confident59 Ų5942.5 Ų42.522%0.22320%0.201CC..Hα-helixtrans-63.3-48.5175.5173170.7-172.9152.620.5111.8T65 H66 A67 R72 E73 D169 G171T65-R69 WeakPolarHBondContact O-CB 3.45Å; T65-R69 PolarHBondContact O-N 3.22Å; H66-R69 PolarHBondContact O-N 2.9Å; A67-R69 VanDerWaalsContact C-N 3.28Å; A67-R69 PolarHBondContact O-N 3.39Å; R69-R72 PolarHBondContact O-N 2.98Å; R69-E73 WeakPolarHBondContact O-CB 3.42Å; R69-E73 PolarHBondContact O-N 3.45Å; R69-D169 IonicContact CZ-OD1 3.07Å; R69-D169 IonicContact NH2-OD1 2.86Å; R69-D169 PolarHBondContact NH2-OD1 2.94Å; R69-D169 IonicContact NH2-OD2 3.29Å; R69-D169 PolarHBondContact NH2-OD2 2.77Å; R69-G171 WeakPolarHBondContact CD-O 3.46Å; R69-G171 VanDerWaalsContact CG-O 3.3Å; R69-G171 WeakPolarHBondContact CG-O 3.2Å; R69-G171 PolarHBondContact NE-O 2.95Å
70A88.1Confident86.5Confident6 Ų634.4 Ų34.45%0.0517%0.171CC..Hα-helixtrans-62.9-44.1-179.900000111.7L57 P60 H66 A67 E73 L74 I356L57-A70 HydrophobicContact CD1-CB 3.86Å; P60-A70 HydrophobicContact CB-CB 3.69Å; H66-A70 WeakPolarHBondContact O-CB 3.49Å; H66-A70 PolarHBondContact O-N 3.17Å; A67-A70 PolarHBondContact O-N 3.02Å; A70-E73 PolarHBondContact O-N 3.15Å; A70-L74 WeakPolarHBondContact O-CB 3.35Å; A70-L74 PolarHBondContact O-N 3.04Å; A70-I356 HydrophobicContact CB-CD1 4.01Å
71Y88.8Confident86.4Confident16 Ų1639.4 Ų39.46%0.06320%0.197CC..Hα-helixtrans-60.3-48.7175.7-178.6-104.1000111.6A67 E73 L74 V75 L342 W352 L355 I356 E359A67-Y71 PolarHBondContact O-N 3.44Å; Y71-E73 PolarHBondContact O-N 2.79Å; Y71-L74 PolarHBondContact O-N 3.39Å; Y71-V75 HydrophobicContact CD1-CG2 4.13Å; Y71-V75 HydrophobicContact CD2-CG2 4.31Å; Y71-V75 HydrophobicContact CE1-CG2 3.73Å; Y71-V75 HydrophobicContact CE2-CG2 3.91Å; Y71-V75 HydrophobicContact CG-CG2 4.43Å; Y71-V75 WeakPolarHBondContact O-CG2 2.95Å; Y71-V75 PolarHBondContact O-N 2.96Å; Y71-L342 HydrophobicContact CD1-CD1 4.15Å; Y71-L342 HydrophobicContact CD1-CG 4.43Å; Y71-L342 HydrophobicContact CE1-CD1 3.7Å; Y71-L342 HydrophobicContact CE1-CG 4.18Å; Y71-W352 HydrophobicContact CD1-CE3 4.03Å; Y71-W352 HydrophobicContact CD1-CH2 4.28Å; Y71-W352 AromaticContact CD1-CZ3 3.37Å; Y71-W352 HydrophobicContact CD1-CZ3 3.37Å; Y71-W352 AromaticContact CE1-CZ3 3.89Å; Y71-W352 HydrophobicContact CE1-CZ3 3.89Å; Y71-W352 AromaticContact CG-CE3 3.89Å; Y71-W352 HydrophobicContact CG-CE3 3.89Å; Y71-W352 AromaticContact CG-CZ3 3.73Å; Y71-W352 HydrophobicContact CG-CZ3 3.73Å; Y71-L355 HydrophobicContact CD2-CB 3.95Å; Y71-L355 HydrophobicContact CE2-CB 3.67Å; Y71-I356 HydrophobicContact CD2-CG1 3.71Å; Y71-I356 HydrophobicContact CG-CG1 4.16Å; Y71-E359 HydrophobicContact CD2-CG 4.46Å; Y71-E359 HydrophobicContact CE2-CG 3.72Å
72R85.7Confident86.5Confident7 Ų738.3 Ų38.33%0.02619%0.193CC..Hα-helixtrans-61.1-45.6178.4-178176.264178.7-7.9112.2K68 R69 L74 V75 L76 F170 G171 L172 A173 L342 E343K68-R72 WeakPolarHBondContact O-CB 3.29Å; K68-R72 PolarHBondContact O-N 3.11Å; R69-R72 PolarHBondContact O-N 2.98Å; R72-L74 VanDerWaalsContact C-N 3.26Å; R72-L74 PolarHBondContact O-N 3.15Å; R72-V75 PolarHBondContact O-N 3.32Å; R72-L76 HydrophobicContact CG-CD1 3.58Å; R72-L76 HydrophobicContact CG-CG 3.94Å; R72-L76 WeakPolarHBondContact O-CB 3.29Å; R72-L76 VanDerWaalsContact O-CG 3.27Å; R72-L76 WeakPolarHBondContact O-CG 3.42Å; R72-L76 PolarHBondContact O-N 3.2Å; R72-F170 PolarHBondContact NE-O 3.13Å; R72-G171 PolarHBondContact NH2-O 3.28Å; R72-L172 PolarHBondContact NH1-O 2.84Å; R72-L172 VanDerWaalsContact NH2-N 3.18Å; R72-A173 WeakPolarHBondContact CD-O 3.3Å; R72-A173 PolarHBondContact NE-O 3.07Å; R72-A173 PolarHBondContact NH1-O 2.7Å; R72-L342 HydrophobicContact CB-CD2 3.86Å; R72-L342 HydrophobicContact CG-CD2 3.62Å; R72-E343 IonicContact NH1-OE1 3.39Å
73E86.8Confident86.8Confident6 Ų637.5 Ų37.53%0.02819%0.188CC..Hα-helixtrans-56.8-44.6177.7-175.4174.2175.300110.6K55 R69 A70 Y71 L77 L106K55-E73 IonicContact NZ-OE1 3.98Å; K55-E73 PolarHBondContact NZ-OE1 2.77Å; K55-E73 IonicContact NZ-OE2 2.58Å; R69-E73 WeakPolarHBondContact O-CB 3.42Å; R69-E73 PolarHBondContact O-N 3.45Å; A70-E73 PolarHBondContact O-N 3.15Å; Y71-E73 PolarHBondContact O-N 2.79Å; E73-L77 HydrophobicContact CG-CD1 3.91Å; E73-L77 VanDerWaalsContact O-CB 3.26Å; E73-L77 WeakPolarHBondContact O-CB 3.46Å; E73-L77 WeakPolarHBondContact O-CD1 3.1Å; E73-L77 WeakPolarHBondContact O-CG 3.32Å; E73-L77 PolarHBondContact O-N 3.3Å; E73-L106 HydrophobicContact CG-CD1 4.43Å
74L88.5Confident87.3Confident3 Ų335.3 Ų35.32%0.01618%0.176CC..Hα-helixtrans-62.8-50.5176.7-179.657.9000112.6A70 Y71 R72 L76 L77 K78 L88 V91 L106 I356 E359 V360A70-L74 WeakPolarHBondContact O-CB 3.35Å; A70-L74 PolarHBondContact O-N 3.04Å; Y71-L74 PolarHBondContact O-N 3.39Å; R72-L74 VanDerWaalsContact C-N 3.26Å; R72-L74 PolarHBondContact O-N 3.15Å; L74-L76 PolarHBondContact O-N 3.44Å; L74-L77 PolarHBondContact O-N 3.11Å; L74-K78 HydrophobicContact CD1-CD 4.06Å; L74-K78 HydrophobicContact CD1-CG 4.34Å; L74-K78 HydrophobicContact CG-CD 4.18Å; L74-K78 VanDerWaalsContact O-CG 3.29Å; L74-K78 WeakPolarHBondContact O-CG 3.35Å; L74-K78 PolarHBondContact O-N 3.07Å; L74-K78 VanDerWaalsContact O-N 3.08Å; L74-L88 HydrophobicContact CD1-CD2 4.17Å; L74-V91 HydrophobicContact CD1-CB 4.21Å; L74-V91 HydrophobicContact CD1-CG1 4.14Å; L74-V91 HydrophobicContact CD1-CG2 3.93Å; L74-L106 HydrophobicContact CD1-CD2 4.02Å; L74-I356 HydrophobicContact CD2-CG2 4.26Å; L74-E359 HydrophobicContact CD2-CB 3.59Å; L74-E359 HydrophobicContact CG-CB 4.35Å; L74-V360 HydrophobicContact CD2-CG2 4.01Å
75V86.4Confident87.6Confident14 Ų1430.4 Ų30.49%0.08515%0.153CC..Hα-helixtrans-62.1-45.4-178.9172.90000111.2Y71 R72 L77 K78 C79 L342Y71-V75 HydrophobicContact CD1-CG2 4.13Å; Y71-V75 HydrophobicContact CD2-CG2 4.31Å; Y71-V75 HydrophobicContact CE1-CG2 3.73Å; Y71-V75 HydrophobicContact CE2-CG2 3.91Å; Y71-V75 HydrophobicContact CG-CG2 4.43Å; Y71-V75 WeakPolarHBondContact O-CG2 2.95Å; Y71-V75 PolarHBondContact O-N 2.96Å; R72-V75 PolarHBondContact O-N 3.32Å; V75-L77 PolarHBondContact O-N 3.4Å; V75-K78 PolarHBondContact O-N 2.65Å; V75-C79 PolarHBondContact O-N 3Å; V75-C79 VanDerWaalsContact O-N 3.07Å; V75-C79 PolarHBondContact O-SG 3.25Å; V75-C79 VanDerWaalsContact O-SG 3.4Å; V75-L342 HydrophobicContact CB-CD1 3.85Å; V75-L342 HydrophobicContact CG1-CD1 3.64Å; V75-L342 HydrophobicContact CG2-CD1 4Å
76L84.4Confident88.1Confident8 Ų825.9 Ų25.94%0.04213%0.125CC..Hα-helixtrans-65.1-42179.9-67.8-177.7000111.8R72 L74 K78 C79 V80 I147 F170 A173 I337R72-L76 HydrophobicContact CG-CD1 3.58Å; R72-L76 HydrophobicContact CG-CG 3.94Å; R72-L76 WeakPolarHBondContact O-CB 3.29Å; R72-L76 VanDerWaalsContact O-CG 3.27Å; R72-L76 WeakPolarHBondContact O-CG 3.42Å; R72-L76 PolarHBondContact O-N 3.2Å; L74-L76 PolarHBondContact O-N 3.44Å; L76-K78 PolarHBondContact O-N 2.81Å; L76-C79 PolarHBondContact O-N 3.08Å; L76-V80 WeakPolarHBondContact O-CB 3.46Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.02Å; L76-I147 HydrophobicContact CD1-CG2 4.41Å; L76-I147 HydrophobicContact CD2-CD1 3.57Å; L76-I147 HydrophobicContact CD2-CG1 4.07Å; L76-F170 HydrophobicContact CB-CB 4.07Å; L76-F170 HydrophobicContact CB-CD2 4.27Å; L76-F170 HydrophobicContact CB-CG 4.24Å; L76-F170 HydrophobicContact CD1-CB 3.52Å; L76-F170 HydrophobicContact CD1-CG 4.26Å; L76-F170 HydrophobicContact CG-CB 4.45Å; L76-A173 HydrophobicContact CD1-CB 4.38Å; L76-I337 HydrophobicContact CD2-CD1 4.27Å
77L87.5Confident88.4Confident7 Ų723.3 Ų23.34%0.03712%0.115CC..Hα-helixtrans-63.8-27.6175.5-78172.5000113.6E73 L74 V75 I86 L88 L106 F170E73-L77 HydrophobicContact CG-CD1 3.91Å; E73-L77 VanDerWaalsContact O-CB 3.26Å; E73-L77 WeakPolarHBondContact O-CB 3.46Å; E73-L77 WeakPolarHBondContact O-CD1 3.1Å; E73-L77 WeakPolarHBondContact O-CG 3.32Å; E73-L77 PolarHBondContact O-N 3.3Å; L74-L77 PolarHBondContact O-N 3.11Å; V75-L77 PolarHBondContact O-N 3.4Å; L77-I86 HydrophobicContact CD2-CG2 3.74Å; L77-L88 HydrophobicContact CB-CB 4.18Å; L77-L88 HydrophobicContact CB-CD2 4.44Å; L77-L106 HydrophobicContact CD1-CD1 3.98Å; L77-F170 HydrophobicContact CD2-CD2 4.08Å; L77-F170 HydrophobicContact CD2-CE2 3.81Å; L77-F170 HydrophobicContact CG-CD2 4.23Å; L77-F170 HydrophobicContact CG-CE2 4.45Å
78K84.6Confident88.5Confident41 Ų4124 Ų2418%0.17812%0.119CC..Hα-helixtrans-78.5-33.4175.5-70.1173.592.5178.40112.5L74 V75 L76 L88 E359 W363L74-K78 HydrophobicContact CD1-CD 4.06Å; L74-K78 HydrophobicContact CD1-CG 4.34Å; L74-K78 HydrophobicContact CG-CD 4.18Å; L74-K78 VanDerWaalsContact O-CG 3.29Å; L74-K78 WeakPolarHBondContact O-CG 3.35Å; L74-K78 PolarHBondContact O-N 3.07Å; L74-K78 VanDerWaalsContact O-N 3.08Å; V75-K78 PolarHBondContact O-N 2.65Å; L76-K78 PolarHBondContact O-N 2.81Å; K78-L88 HydrophobicContact CG-CD2 3.86Å; K78-E359 PolarHBondContact NZ-O 3.29Å; K78-E359 IonicContact NZ-OE2 3.28Å; K78-E359 PolarHBondContact NZ-OE2 2.91Å; K78-W363 HydrophobicContact CB-CZ3 4.43Å; K78-W363 HydrophobicContact CD-CE3 4.26Å; K78-W363 HydrophobicContact CG-CE3 4.06Å; K78-W363 HydrophobicContact CG-CZ3 3.94Å
79C81.8Confident88.8Confident38 Ų3824 Ų2426%0.25712%0.121SC..Hα-helixtrans-84.9-40.4-176-69.70000112.5V75 L76 P335V75-C79 PolarHBondContact O-N 3Å; V75-C79 VanDerWaalsContact O-N 3.07Å; V75-C79 PolarHBondContact O-SG 3.25Å; V75-C79 VanDerWaalsContact O-SG 3.4Å; L76-C79 PolarHBondContact O-N 3.08Å; C79-P335 HydrophobicContact CB-CB 4.32Å; C79-P335 WeakPolarHBondContact O-CB 3.38Å
80V84.4Confident89.2Confident8 Ų821.8 Ų21.85%0.04811%0.113CC..  trans-80.2125.8-169.4-178.70000111.3L76 I85 L142 I147 P335L76-V80 WeakPolarHBondContact O-CB 3.46Å; L76-V80 WeakPolarHBondContact O-CG2 3.23Å; L76-V80 PolarHBondContact O-N 3.02Å; V80-I85 HydrophobicContact CB-CG2 4.36Å; V80-I85 HydrophobicContact CG1-CB 4.07Å; V80-I85 HydrophobicContact CG1-CD1 3.38Å; V80-I85 HydrophobicContact CG1-CG1 4.31Å; V80-I85 HydrophobicContact CG1-CG2 3.56Å; V80-L142 HydrophobicContact CG1-CD2 4.38Å; V80-L142 HydrophobicContact CG2-CD2 4.27Å; V80-I147 HydrophobicContact CG2-CD1 4.03Å; V80-P335 HydrophobicContact CB-CG 4.44Å; V80-P335 HydrophobicContact CG2-CG 4.02Å
81N86.4Confident89.6Confident110 Ų11021.5 Ų21.559%0.58811%0.111SC*.  trans-132.396.2177.7-174.924.7000110.7H141N81-H141 PolarHBondContact O-NE2 3.38Å
82H92.8Very high89.9Confident10 Ų1020.9 Ų20.95%0.04611%0.109CC..  trans-150.4143.2177.9-174.6-101.1000110.4N84 I85 H141 E329H82-N84 PolarHBondContact CE1-OD1 2.96Å; H82-N84 VanDerWaalsContact CE1-OD1 3.24Å; H82-N84 PolarHBondContact ND1-N 3.24Å; H82-N84 PolarHBondContact O-N 3.5Å; H82-N84 VanDerWaalsContact O-N 3.16Å; H82-I85 HydrophobicContact CB-CB 4.24Å; H82-I85 HydrophobicContact CB-CD1 3.99Å; H82-I85 HydrophobicContact CB-CG1 4.24Å; H82-I85 PolarHBondContact O-N 3.23Å; H82-H141 HydrophobicContact CB-CB 4.32Å; H82-H141 VanDerWaalsContact CB-CD2 3.49Å; H82-H141 WeakPolarHBondContact CB-CD2 3.29Å; H82-H141 AromaticContact CD2-CG 3.88Å; H82-H141 AromaticContact CD2-ND1 3.78Å; H82-H141 AromaticContact CG-CG 3.82Å; H82-E329 PolarHBondContact NE2-O 3.06Å; H82-E329 VanDerWaalsContact NE2-O 3.11Å
83K94.1Very high90.3Very high82 Ų8220.7 Ų20.736%0.35711%0.108SC..THydrogen-bonded Turntrans-61-29-17668.5171.5-165.8156.30113.7I85 K166 E329K83-I85 VanDerWaalsContact C-N 3.34Å; K83-K166 WeakPolarHBondContact O-CE 2.98Å; K83-K166 VanDerWaalsContact O-CG 3.22Å; K83-K166 WeakPolarHBondContact O-CG 3.23Å; K83-K166 PolarHBondContact O-NZ 3.02Å; K83-K166 VanDerWaalsContact O-NZ 3.12Å; K83-E329 HydrophobicContact CD-CG 4.5Å; K83-E329 WeakPolarHBondContact CE-OE1 3.47Å; K83-E329 WeakPolarHBondContact CE-OE2 3.15Å; K83-E329 IonicContact NZ-OE1 3.57Å; K83-E329 PolarHBondContact NZ-OE1 3.1Å; K83-E329 IonicContact NZ-OE2 2.96Å; K83-E329 PolarHBondContact NZ-OE2 3.03Å
84N96.5Very high90.6Very high3 Ų321.5 Ų21.52%0.01611%0.114CC..THydrogen-bonded Turntrans-93.714.2177.4-54.9115.7000114.4H82 Q134 L165 K166 I167H82-N84 PolarHBondContact CE1-OD1 2.96Å; H82-N84 VanDerWaalsContact CE1-OD1 3.24Å; H82-N84 PolarHBondContact ND1-N 3.24Å; H82-N84 PolarHBondContact O-N 3.5Å; H82-N84 VanDerWaalsContact O-N 3.16Å; N84-Q134 VanDerWaalsContact CB-O 3.27Å; N84-Q134 WeakPolarHBondContact CB-O 3.13Å; N84-Q134 VanDerWaalsContact ND2-CB 3.34Å; N84-Q134 WeakPolarHBondContact ND2-CB 3.49Å; N84-Q134 WeakPolarHBondContact ND2-CG 3.34Å; N84-Q134 PolarHBondContact ND2-OE1 3.47Å; N84-L165 VanDerWaalsContact CA-O 3.26Å; N84-L165 WeakPolarHBondContact CA-O 3.41Å; N84-L165 PolarHBondContact ND2-O 2.81Å; N84-K166 WeakPolarHBondContact O-CA 3.41Å; N84-I167 PolarHBondContact O-N 3Å
85I94.3Very high90.8Very high1 Ų123 Ų231%0.00512%0.121CC..BIsolated β-bridgetrans-123.3142.5173-66.9171.8000107.6V80 H82 K83 S87 H141 L142 K166 F170V80-I85 HydrophobicContact CB-CG2 4.36Å; V80-I85 HydrophobicContact CG1-CB 4.07Å; V80-I85 HydrophobicContact CG1-CD1 3.38Å; V80-I85 HydrophobicContact CG1-CG1 4.31Å; V80-I85 HydrophobicContact CG1-CG2 3.56Å; H82-I85 HydrophobicContact CB-CB 4.24Å; H82-I85 HydrophobicContact CB-CD1 3.99Å; H82-I85 HydrophobicContact CB-CG1 4.24Å; H82-I85 PolarHBondContact O-N 3.23Å; K83-I85 VanDerWaalsContact C-N 3.34Å; I85-S87 PolarHBondContact O-N 3.37Å; I85-H141 HydrophobicContact CD1-CB 4.31Å; I85-L142 HydrophobicContact CD1-CD1 4.43Å; I85-L142 HydrophobicContact CD1-CD2 3.75Å; I85-L142 HydrophobicContact CD1-CG 3.72Å; I85-K166 PolarHBondContact O-NZ 3.33Å; I85-K166 VanDerWaalsContact O-NZ 3.17Å; I85-F170 HydrophobicContact CG2-CE2 3.98Å; I85-F170 HydrophobicContact CG2-CZ 3.46Å; I85-F170 VanDerWaalsContact CG2-CZ 3.46Å
86I93.4Very high90.9Very high4 Ų431 Ų312%0.02116%0.155CC..PPolyproline II helixtrans-65.8132.2177.4-165.963.6000110.9L77 M108 E109 K166 I167 L168 F170L77-I86 HydrophobicContact CD2-CG2 3.74Å; I86-M108 HydrophobicContact CD1-CB 4.15Å; I86-M108 HydrophobicContact CG1-CB 3.85Å; I86-M108 HydrophobicContact CG1-CG 4.09Å; I86-M108 HydrophobicContact CG1-SD 3.9Å; I86-M108 HydrophobicContact CG2-SD 4.38Å; I86-E109 HydrophobicContact CD1-CB 4.1Å; I86-K166 HydrophobicContact CD1-CD 4.15Å; I86-I167 WeakPolarHBondContact CG2-O 3.4Å; I86-I167 PolarHBondContact N-O 3.15Å; I86-L168 HydrophobicContact CB-CD2 3.62Å; I86-L168 HydrophobicContact CD1-CD2 4.25Å; I86-L168 HydrophobicContact CG1-CD2 3.75Å; I86-L168 HydrophobicContact CG2-CD2 3.71Å; I86-F170 HydrophobicContact CG2-CE2 4.48Å
87S91Very high91.3Very high16 Ų1632.2 Ų32.211%0.11216%0.164CC..PPolyproline II helixtrans-97.7140.1-179.6-57.50000111I85I85-S87 PolarHBondContact O-N 3.37Å
88L92Very high91.6Very high15 Ų1534.1 Ų34.18%0.07917%0.174CC..EExtended strand (participates in β ladder)trans-80.7116.6171.5-171.369.6000109.7L74 L77 K78 N90 V91 L106 W363L74-L88 HydrophobicContact CD1-CD2 4.17Å; L77-L88 HydrophobicContact CB-CB 4.18Å; L77-L88 HydrophobicContact CB-CD2 4.44Å; K78-L88 HydrophobicContact CG-CD2 3.86Å; L88-N90 VanDerWaalsContact CD1-O 3.3Å; L88-N90 WeakPolarHBondContact CD1-O 3.34Å; L88-V91 HydrophobicContact CD2-CB 4.28Å; L88-V91 HydrophobicContact CD2-CG1 4.2Å; L88-L106 HydrophobicContact CD1-CB 4.1Å; L88-L106 HydrophobicContact CD1-CD2 4.13Å; L88-W363 HydrophobicContact CD2-CH2 4.32Å; L88-W363 HydrophobicContact CD2-CZ2 4.33Å; L88-W363 HydrophobicContact CG-CZ2 4.4Å
89L92.4Very high91.9Very high49 Ų4939.2 Ų39.226%0.25720%0.198SC..EExtended strand (participates in β ladder)trans-86.5-38.4175.3-59.7179.6000111.3I50 V52 V107 E109I50-L89 HydrophobicContact CD1-CD1 4.44Å; V52-L89 HydrophobicContact CG1-CD1 3.74Å; L89-V107 HydrophobicContact CB-CG1 4.4Å; L89-V107 PolarHBondContact N-O 3.18Å; L89-E109 HydrophobicContact CD1-CG 4.16Å; L89-E109 HydrophobicContact CD2-CG 4.16Å; L89-E109 HydrophobicContact CG-CG 4.27Å
90N94.1Very high92.4Very high13 Ų1342.9 Ų42.97%0.0721%0.211CC..EExtended strand (participates in β ladder)trans-156.3157.1177.3-160.52.2000111.4Y26 L88 V107 W363Y26-N90 VanDerWaalsContact OH-CB 3.27Å; Y26-N90 WeakPolarHBondContact OH-CB 3.39Å; Y26-N90 PolarHBondContact OH-ND2 3.32Å; L88-N90 VanDerWaalsContact CD1-O 3.3Å; L88-N90 WeakPolarHBondContact CD1-O 3.34Å; N90-V107 HydrophobicContact CB-CB 3.85Å; N90-V107 HydrophobicContact CB-CG2 4.05Å; N90-V107 PolarHBondContact N-O 3.2Å; N90-V107 VanDerWaalsContact N-O 3.15Å; N90-V107 WeakPolarHBondContact O-CA 3.34Å; N90-V107 WeakPolarHBondContact O-CB 3.42Å; N90-V107 PolarHBondContact O-N 3.23Å; N90-W363 PolarHBondContact OD1-NE1 2.9Å
91V95Very high92.9Very high0 Ų042.5 Ų42.50%021%0.209CC..EExtended strand (participates in β ladder)trans-137.1139.3166.954.20000108.6L74 L88 V104 Y105 L106 V360 W363L74-V91 HydrophobicContact CD1-CB 4.21Å; L74-V91 HydrophobicContact CD1-CG1 4.14Å; L74-V91 HydrophobicContact CD1-CG2 3.93Å; L88-V91 HydrophobicContact CD2-CB 4.28Å; L88-V91 HydrophobicContact CD2-CG1 4.2Å; V91-V104 HydrophobicContact CG2-CG1 4.04Å; V91-Y105 VanDerWaalsContact CA-O 3.29Å; V91-Y105 WeakPolarHBondContact CA-O 3.32Å; V91-L106 HydrophobicContact CB-CD2 4.17Å; V91-L106 HydrophobicContact CG2-CD2 3.77Å; V91-V360 HydrophobicContact CG2-CB 4.45Å; V91-V360 HydrophobicContact CG2-CG1 4.24Å; V91-V360 HydrophobicContact CG2-CG2 3.8Å; V91-W363 HydrophobicContact CG1-CB 3.55Å; V91-W363 VanDerWaalsContact CG1-CD1 3.44Å; V91-W363 HydrophobicContact CG1-CD2 4.03Å; V91-W363 HydrophobicContact CG1-CG 3.38Å
92F94.8Very high93.1Very high3 Ų343.2 Ų43.21%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-153.3166.2177.965.5-91.4000112.5F10 V22 L23 Y26 Y105 V107F10-F92 HydrophobicContact CD1-CE2 4.44Å; F10-F92 AromaticContact CE1-CD2 3.62Å; F10-F92 HydrophobicContact CE1-CD2 3.62Å; F10-F92 AromaticContact CE1-CE2 3.95Å; F10-F92 HydrophobicContact CE1-CE2 3.95Å; F10-F92 HydrophobicContact CZ-CD2 4.44Å; V22-F92 HydrophobicContact CB-CE2 4.31Å; V22-F92 HydrophobicContact CB-CZ 3.92Å; V22-F92 HydrophobicContact CG1-CE2 4.39Å; V22-F92 HydrophobicContact CG1-CZ 3.96Å; L23-F92 HydrophobicContact CD1-CB 4.49Å; L23-F92 HydrophobicContact CD1-CD1 4.11Å; L23-F92 HydrophobicContact CD1-CG 4.19Å; L23-F92 HydrophobicContact CG-CD1 4.49Å; L23-F92 HydrophobicContact CG-CD2 4.41Å; L23-F92 HydrophobicContact CG-CG 4.35Å; Y26-F92 AromaticContact CD2-CE1 3.94Å; Y26-F92 HydrophobicContact CD2-CE1 3.94Å; Y26-F92 HydrophobicContact CD2-CZ 4.23Å; Y26-F92 HydrophobicContact CE2-CD1 4.06Å; Y26-F92 AromaticContact CE2-CE1 3.44Å; Y26-F92 HydrophobicContact CE2-CE1 3.44Å; Y26-F92 VanDerWaalsContact CE2-CE1 3.44Å; Y26-F92 HydrophobicContact CE2-CZ 4.16Å; F92-Y105 HydrophobicContact CD2-CD2 4Å; F92-Y105 HydrophobicContact CD2-CG 4.21Å; F92-Y105 HydrophobicContact CE1-CG 4.38Å; F92-Y105 HydrophobicContact CE2-CD1 4.26Å; F92-Y105 AromaticContact CE2-CD2 3.55Å; F92-Y105 HydrophobicContact CE2-CD2 3.55Å; F92-Y105 HydrophobicContact CE2-CE2 4.31Å; F92-Y105 AromaticContact CE2-CG 3.52Å; F92-Y105 HydrophobicContact CE2-CG 3.52Å; F92-Y105 HydrophobicContact CZ-CD1 4.11Å; F92-Y105 HydrophobicContact CZ-CD2 4.16Å; F92-Y105 AromaticContact CZ-CG 3.63Å; F92-Y105 HydrophobicContact CZ-CG 3.63Å; F92-Y105 PolarHBondContact N-O 3.45Å; F92-Y105 PolarHBondContact O-N 3.29Å; F92-V107 HydrophobicContact CD1-CG2 4.15Å; F92-V107 HydrophobicContact CE1-CG2 3.68Å
93T95Very high93.1Very high4 Ų444.2 Ų44.23%0.02522%0.215CC..  trans-132141.8167.5-178.90000109.4F10 Q95 F101 D103 Y357 V360 M361F10-T93 WeakPolarHBondContact CZ-O 3.46Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact OG1-N 3.16Å; T93-Q95 PolarHBondContact OG1-OE1 3.39Å; T93-F101 HydrophobicContact CG2-CD2 4Å; T93-F101 HydrophobicContact CG2-CE2 4.01Å; T93-F101 WeakPolarHBondContact OG1-CD2 3.4Å; T93-D103 WeakPolarHBondContact CB-O 3.47Å; T93-D103 PolarHBondContact OG1-O 3.19Å; T93-Y357 HydrophobicContact CG2-CE2 4.26Å; T93-V360 HydrophobicContact CG2-CG1 3.99Å; T93-M361 HydrophobicContact CG2-CE 3.4Å; T93-M361 VanDerWaalsContact CG2-CE 3.4Å
94P93.1Very high93.1Very high22 Ų2240.4 Ų40.414%0.14320%0.198CC..SBendtrans-78.2-13.7176.832-36000113.2F10 T21 Y105F10-P94 HydrophobicContact CD1-CB 3.83Å; F10-P94 HydrophobicContact CE1-CB 4.05Å; F10-P94 HydrophobicContact CG-CB 4.1Å; F10-P94 HydrophobicContact CZ-CB 4.48Å; T21-P94 HydrophobicContact CG2-CB 3.55Å; T21-P94 HydrophobicContact CG2-CG 4.13Å; P94-Y105 HydrophobicContact CG-CE2 4.02Å
95Q93.3Very high93Very high34 Ų3440.2 Ų40.216%0.15920%0.197CC..  trans-84.4143.3-178.4-65.7100.815.100111.4T93 E100 D103T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact OG1-N 3.16Å; T93-Q95 PolarHBondContact OG1-OE1 3.39Å; Q95-E100 HydrophobicContact CB-CB 3.99Å; Q95-E100 HydrophobicContact CG-CB 4.17Å; Q95-E100 WeakPolarHBondContact CG-O 3.14Å; Q95-D103 PolarHBondContact NE2-OD2 2.88Å
96K88.9Confident93Very high183 Ų18340.2 Ų40.280%0.79620%0.197SC*.SBendtrans-96-13.8-170.4-67-174.6179.5179.30114.6Y357K96-Y357 PolarHBondContact O-OH 3.23Å
97S92.6Very high93.1Very high34 Ų3440 Ų4024%0.23820%0.196CC..SBendtrans-135.9159.3-178.388.30000111.1E99 E100 F101S97-E99 WeakPolarHBondContact CB-OE2 3.43Å; S97-E99 PolarHBondContact O-N 2.98Å; S97-E99 PolarHBondContact OG-N 3Å; S97-E99 PolarHBondContact OG-OE2 3.27Å; S97-E100 PolarHBondContact O-N 2.98Å; S97-E100 PolarHBondContact OG-N 3.23Å; S97-F101 WeakPolarHBondContact O-CB 3.33Å; S97-F101 PolarHBondContact O-N 2.78Å
98L92.4Very high93.3Very high47 Ų4740 Ų4025%0.24620%0.195CC..THydrogen-bonded Turntrans-62.8-33.4178.5176.665.8000112F101 K353 E354 Y357L98-F101 PolarHBondContact O-N 2.95Å; L98-K353 HydrophobicContact CD1-CD 4.38Å; L98-K353 HydrophobicContact CD1-CG 4.07Å; L98-K353 WeakPolarHBondContact O-CE 3.41Å; L98-K353 PolarHBondContact O-NZ 2.66Å; L98-E354 HydrophobicContact CD1-CG 4.04Å; L98-E354 HydrophobicContact CD2-CG 3.46Å; L98-E354 VanDerWaalsContact CD2-CG 3.46Å; L98-E354 HydrophobicContact CG-CG 4.36Å; L98-Y357 HydrophobicContact CB-CD1 4.3Å; L98-Y357 HydrophobicContact CB-CE1 4.39Å; L98-Y357 HydrophobicContact CD1-CD1 4.2Å; L98-Y357 HydrophobicContact CD1-CG 4Å
99E92.2Very high93.3Very high147 Ų14741.4 Ų41.469%0.68720%0.201SC*.THydrogen-bonded Turntrans-63.5-44.4178.7-58.576.5-164.200110.5S97 K353S97-E99 WeakPolarHBondContact CB-OE2 3.43Å; S97-E99 PolarHBondContact O-N 2.98Å; S97-E99 PolarHBondContact OG-N 3Å; S97-E99 PolarHBondContact OG-OE2 3.27Å; E99-K353 PolarHBondContact O-NZ 3.21Å
100E92.3Very high93.4Very high115 Ų11541 Ų4154%0.53720%0.199SC..THydrogen-bonded Turntrans-79.6-20.8179.9-64.6-17917200113.6Q95 S97 Q102Q95-E100 HydrophobicContact CB-CB 3.99Å; Q95-E100 HydrophobicContact CG-CB 4.17Å; Q95-E100 WeakPolarHBondContact CG-O 3.14Å; S97-E100 PolarHBondContact O-N 2.98Å; S97-E100 PolarHBondContact OG-N 3.23Å; E100-Q102 WeakPolarHBondContact O-CG 3.42Å; E100-Q102 PolarHBondContact O-N 3.04Å
101F93.9Very high93.4Very high0 Ų041.5 Ų41.50%020%0.201CC..  trans-55.3122.2-173.1176.6-133.5000112.4F61 T93 S97 L98 V104 K353 I356 Y357F61-F101 HydrophobicContact CE1-CE1 4.08Å; F61-F101 AromaticContact CE2-CD1 3.96Å; F61-F101 HydrophobicContact CE2-CD1 3.96Å; F61-F101 AromaticContact CE2-CE1 3.81Å; F61-F101 HydrophobicContact CE2-CE1 3.81Å; F61-F101 HydrophobicContact CE2-CG 4.43Å; F61-F101 HydrophobicContact CE2-CZ 4.13Å; F61-F101 AromaticContact CZ-CD1 3.79Å; F61-F101 HydrophobicContact CZ-CD1 3.79Å; F61-F101 AromaticContact CZ-CE1 3.22Å; F61-F101 HydrophobicContact CZ-CE1 3.22Å; F61-F101 HydrophobicContact CZ-CE2 4.43Å; F61-F101 AromaticContact CZ-CZ 3.61Å; F61-F101 HydrophobicContact CZ-CZ 3.61Å; T93-F101 HydrophobicContact CG2-CD2 4Å; T93-F101 HydrophobicContact CG2-CE2 4.01Å; T93-F101 WeakPolarHBondContact OG1-CD2 3.4Å; S97-F101 WeakPolarHBondContact O-CB 3.33Å; S97-F101 PolarHBondContact O-N 2.78Å; L98-F101 PolarHBondContact O-N 2.95Å; F101-V104 HydrophobicContact CE2-CG2 3.6Å; F101-V104 HydrophobicContact CZ-CG2 3.42Å; F101-V104 VanDerWaalsContact CZ-CG2 3.42Å; F101-K353 HydrophobicContact CD1-CG 3.7Å; F101-K353 HydrophobicContact CE1-CG 4.23Å; F101-K353 WeakPolarHBondContact O-CE 3.32Å; F101-K353 PolarHBondContact O-NZ 3.17Å; F101-I356 HydrophobicContact CE1-CB 4.28Å; F101-I356 HydrophobicContact CE1-CG2 4.09Å; F101-I356 HydrophobicContact CZ-CG2 3.83Å; F101-Y357 HydrophobicContact CB-CD2 3.83Å; F101-Y357 HydrophobicContact CB-CE2 4.15Å; F101-Y357 AromaticContact CD1-CD2 3.65Å; F101-Y357 HydrophobicContact CD1-CD2 3.65Å; F101-Y357 HydrophobicContact CD1-CG 4.08Å; F101-Y357 AromaticContact CD2-CD2 3.84Å; F101-Y357 HydrophobicContact CD2-CD2 3.84Å; F101-Y357 HydrophobicContact CD2-CE2 4.39Å; F101-Y357 HydrophobicContact CE1-CD2 4.06Å; F101-Y357 HydrophobicContact CE1-CG 4.36Å; F101-Y357 HydrophobicContact CE2-CD2 4.25Å; F101-Y357 AromaticContact CG-CD2 3.52Å; F101-Y357 HydrophobicContact CG-CD2 3.52Å; F101-Y357 HydrophobicContact CG-CE2 4.22Å; F101-Y357 HydrophobicContact CG-CG 4.37Å; F101-Y357 HydrophobicContact CZ-CD2 4.34Å
102Q91.3Very high93.2Very high126 Ų12646.3 Ų46.359%0.58923%0.227SC*.  trans-143.8-36.3-178.5-73.3-177.617.600112.5E100E100-Q102 WeakPolarHBondContact O-CG 3.42Å; E100-Q102 PolarHBondContact O-N 3.04Å
103D92.8Very high93Very high31 Ų3147.4 Ų47.417%0.16624%0.236CC..  trans-108.2135.5-174.4-62.1-56.6000111.1K56 T93 Q95 Y105K56-D103 VanDerWaalsContact CE-CG 3.46Å; K56-D103 WeakPolarHBondContact CE-OD1 3.33Å; K56-D103 IonicContact NZ-OD1 3.72Å; K56-D103 PolarHBondContact NZ-OD1 2.88Å; K56-D103 IonicContact NZ-OD2 3.96Å; T93-D103 WeakPolarHBondContact CB-O 3.47Å; T93-D103 PolarHBondContact OG1-O 3.19Å; Q95-D103 PolarHBondContact NE2-OD2 2.88Å; D103-Y105 HydrophobicContact CB-CD2 4.38Å; D103-Y105 HydrophobicContact CB-CE2 3.64Å
104V94.6Very high92.7Very high1 Ų149.6 Ų49.61%0.00625%0.248CC..  trans-120.6129.6171.1-179.60000108.2L57 V91 F101 L106 I356 V360L57-V104 HydrophobicContact CB-CB 4.43Å; L57-V104 HydrophobicContact CD1-CB 4Å; L57-V104 HydrophobicContact CD1-CG1 4.09Å; L57-V104 HydrophobicContact CG-CB 4.25Å; L57-V104 HydrophobicContact CG-CG1 4.49Å; L57-V104 PolarHBondContact N-O 3Å; V91-V104 HydrophobicContact CG2-CG1 4.04Å; F101-V104 HydrophobicContact CE2-CG2 3.6Å; F101-V104 HydrophobicContact CZ-CG2 3.42Å; F101-V104 VanDerWaalsContact CZ-CG2 3.42Å; V104-L106 HydrophobicContact CG1-CD2 4.14Å; V104-I356 HydrophobicContact CG2-CG2 4Å; V104-V360 HydrophobicContact CG1-CG2 4.3Å
105Y94.8Very high92.7Very high0 Ų048.5 Ų48.50%024%0.241CC..EExtended strand (participates in β ladder)trans-113124.4176-64.5-97.7000109.3F20 T21 V22 V54 K55 K56 V91 F92 P94 D103F20-Y105 HydrophobicContact CD1-CD1 4.33Å; F20-Y105 AromaticContact CD1-CE1 3.77Å; F20-Y105 HydrophobicContact CD1-CE1 3.77Å; F20-Y105 HydrophobicContact CE1-CE1 4.23Å; F20-Y105 HydrophobicContact CG-CE1 4.24Å; T21-Y105 PolarHBondContact N-OH 2.79Å; V22-Y105 HydrophobicContact CG1-CD1 3.98Å; V22-Y105 HydrophobicContact CG1-CE1 3.85Å; V54-Y105 HydrophobicContact CG1-CD1 4Å; K55-Y105 CarbonylContact O-C 3.58Å; K55-Y105 WeakPolarHBondContact O-CA 3.39Å; K56-Y105 HydrophobicContact CB-CD1 3.88Å; K56-Y105 HydrophobicContact CB-CE1 3.68Å; K56-Y105 HydrophobicContact CD-CE1 3.8Å; K56-Y105 WeakPolarHBondContact CD-OH 3.22Å; K56-Y105 WeakPolarHBondContact CE-OH 3.26Å; K56-Y105 HydrophobicContact CG-CD1 4.14Å; K56-Y105 HydrophobicContact CG-CE1 3.64Å; K56-Y105 HydrophobicContact CG-CE2 4.5Å; V91-Y105 VanDerWaalsContact CA-O 3.29Å; V91-Y105 WeakPolarHBondContact CA-O 3.32Å; F92-Y105 HydrophobicContact CD2-CD2 4Å; F92-Y105 HydrophobicContact CD2-CG 4.21Å; F92-Y105 HydrophobicContact CE1-CG 4.38Å; F92-Y105 HydrophobicContact CE2-CD1 4.26Å; F92-Y105 AromaticContact CE2-CD2 3.55Å; F92-Y105 HydrophobicContact CE2-CD2 3.55Å; F92-Y105 HydrophobicContact CE2-CE2 4.31Å; F92-Y105 AromaticContact CE2-CG 3.52Å; F92-Y105 HydrophobicContact CE2-CG 3.52Å; F92-Y105 HydrophobicContact CZ-CD1 4.11Å; F92-Y105 HydrophobicContact CZ-CD2 4.16Å; F92-Y105 AromaticContact CZ-CG 3.63Å; F92-Y105 HydrophobicContact CZ-CG 3.63Å; F92-Y105 PolarHBondContact N-O 3.45Å; F92-Y105 PolarHBondContact O-N 3.29Å; P94-Y105 HydrophobicContact CG-CE2 4.02Å; D103-Y105 HydrophobicContact CB-CD2 4.38Å; D103-Y105 HydrophobicContact CB-CE2 3.64Å
106L94.1Very high92.5Very high1 Ų149.3 Ų49.31%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-104126.8173.8-53.8177.1000108.4V54 K55 L57 E73 L74 L77 L88 V91 V104V54-L106 CarbonylContact C-O 3.43Å; V54-L106 WeakPolarHBondContact CA-O 3.06Å; K55-L106 HydrophobicContact CB-CB 4.38Å; K55-L106 PolarHBondContact N-O 2.58Å; K55-L106 PolarHBondContact O-N 2.8Å; L57-L106 HydrophobicContact CD2-CD1 4.01Å; L57-L106 HydrophobicContact CG-CD1 4.43Å; E73-L106 HydrophobicContact CG-CD1 4.43Å; L74-L106 HydrophobicContact CD1-CD2 4.02Å; L77-L106 HydrophobicContact CD1-CD1 3.98Å; L88-L106 HydrophobicContact CD1-CB 4.1Å; L88-L106 HydrophobicContact CD1-CD2 4.13Å; V91-L106 HydrophobicContact CB-CD2 4.17Å; V91-L106 HydrophobicContact CG2-CD2 3.77Å; V104-L106 HydrophobicContact CG1-CD2 4.14Å
107V95.4Very high92.4Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-109.7122.8177.9-173.20000108.2Y26 V52 A53 V54 L89 N90 F92Y26-V107 HydrophobicContact CE1-CG1 3.86Å; Y26-V107 HydrophobicContact CE1-CG2 4.34Å; Y26-V107 HydrophobicContact CE2-CG2 3.9Å; V52-V107 HydrophobicContact CB-CG1 3.81Å; V52-V107 HydrophobicContact CG1-CG1 4.23Å; V52-V107 HydrophobicContact CG2-CG1 3.82Å; A53-V107 CarbonylContact O-C 3.58Å; A53-V107 WeakPolarHBondContact O-CA 3.27Å; V54-V107 HydrophobicContact CG2-CG1 4.47Å; V54-V107 HydrophobicContact CG2-CG2 4.31Å; L89-V107 HydrophobicContact CB-CG1 4.4Å; L89-V107 PolarHBondContact N-O 3.18Å; N90-V107 HydrophobicContact CB-CB 3.85Å; N90-V107 HydrophobicContact CB-CG2 4.05Å; N90-V107 PolarHBondContact N-O 3.2Å; N90-V107 VanDerWaalsContact N-O 3.15Å; N90-V107 WeakPolarHBondContact O-CA 3.34Å; N90-V107 WeakPolarHBondContact O-CB 3.42Å; N90-V107 PolarHBondContact O-N 3.23Å; F92-V107 HydrophobicContact CD1-CG2 4.15Å; F92-V107 HydrophobicContact CE1-CG2 3.68Å
108M94.6Very high92.2Very high16 Ų1644.9 Ų44.98%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-130.3169.7-174.9-62167.2-74.100109.8V52 A53 K55 I86 L110V52-M108 WeakPolarHBondContact CA-O 3.29Å; V52-M108 WeakPolarHBondContact CB-O 3.27Å; A53-M108 PolarHBondContact N-O 2.87Å; A53-M108 PolarHBondContact O-N 3.5Å; K55-M108 HydrophobicContact CB-CE 3.72Å; K55-M108 HydrophobicContact CD-CE 4.24Å; I86-M108 HydrophobicContact CD1-CB 4.15Å; I86-M108 HydrophobicContact CG1-CB 3.85Å; I86-M108 HydrophobicContact CG1-CG 4.09Å; I86-M108 HydrophobicContact CG1-SD 3.9Å; I86-M108 HydrophobicContact CG2-SD 4.38Å; M108-L110 PolarHBondContact O-N 2.85Å
109E92.8Very high92Very high44 Ų4442.9 Ų42.921%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-58.8136.5170.5-59.5174.5120.600110.6I86 L89 K166I86-E109 HydrophobicContact CD1-CB 4.1Å; L89-E109 HydrophobicContact CD1-CG 4.16Å; L89-E109 HydrophobicContact CD2-CG 4.16Å; L89-E109 HydrophobicContact CG-CG 4.27Å; E109-K166 WeakPolarHBondContact OE2-CD 3.46Å; E109-K166 WeakPolarHBondContact OE2-CE 3.48Å; E109-K166 IonicContact OE2-NZ 2.86Å; E109-K166 PolarHBondContact OE2-NZ 3.3Å
110L94.2Very high91.6Very high41 Ų4142.9 Ų42.922%0.21522%0.218CC..  trans-79135.8172.2-172.565000110I32 A42 N51 A53 M108I32-L110 HydrophobicContact CD1-CD1 3.59Å; A42-L110 HydrophobicContact CB-CD1 4.02Å; A42-L110 HydrophobicContact CB-CD2 3.95Å; N51-L110 HydrophobicContact CB-CB 4.26Å; N51-L110 HydrophobicContact CB-CD2 3.58Å; A53-L110 HydrophobicContact CB-CD1 4.02Å; M108-L110 PolarHBondContact O-N 2.85Å
111M94.3Very high91.4Very high22 Ų2243 Ų4311%0.10822%0.22CC..  trans-118.2156.7176.2-57.3-67.4-73.300109.2V158 K160 K166M111-V158 HydrophobicContact CB-CB 3.73Å; M111-V158 HydrophobicContact CB-CG1 4.47Å; M111-V158 HydrophobicContact CB-CG2 3.97Å; M111-V158 HydrophobicContact CE-CG2 4.26Å; M111-V158 HydrophobicContact CG-CB 3.93Å; M111-V158 HydrophobicContact CG-CG2 3.56Å; M111-K160 HydrophobicContact CE-CD 4.45Å; M111-K160 HydrophobicContact CE-CG 3.74Å; M111-K160 HydrophobicContact SD-CD 4.18Å; M111-K160 VanDerWaalsContact SD-CE 3.51Å; M111-K160 HydrophobicContact SD-CG 3.81Å; M111-K166 HydrophobicContact CE-CB 4.17Å; M111-K166 HydrophobicContact CE-CD 4.1Å; M111-K166 HydrophobicContact CE-CG 4.25Å; M111-K166 HydrophobicContact SD-CD 3.96Å
112D90.9Very high90.9Very high101 Ų10152.2 Ų52.254%0.5426%0.263SS..SBendtrans-79.6-39.4-170.2-62.9-27.3000112.1V159 K160 S161D112-V159 PolarHBondContact N-O 2.89Å; D112-K160 WeakPolarHBondContact OD2-CA 3.48Å; D112-S161 WeakPolarHBondContact OD2-CB 3.32Å; D112-S161 PolarHBondContact OD2-N 3.04Å; D112-S161 PolarHBondContact OD2-OG 2.82Å
113A89.2Confident90.9Very high26 Ų2647.1 Ų47.122%0.21524%0.24CC..EExtended strand (participates in β ladder)trans-149.7164.2-17300000111.8Q117 V158 V159A113-Q117 VanDerWaalsContact CA-OE1 3.26Å; A113-Q117 HydrophobicContact CB-CB 4.43Å; A113-V158 CarbonylContact O-C 3.55Å; A113-V158 VanDerWaalsContact O-CA 3.26Å; A113-V158 WeakPolarHBondContact O-CA 3.44Å; A113-V158 WeakPolarHBondContact O-CB 3.28Å; A113-V159 HydrophobicContact CB-CG2 4.03Å; A113-V159 PolarHBondContact N-O 2.75Å; A113-V159 VanDerWaalsContact N-O 3.11Å; A113-V159 PolarHBondContact O-N 3.32Å
114N89.9Confident90.9Very high50 Ų5048.2 Ų48.227%0.26725%0.246SC..EExtended strand (participates in β ladder)trans-99166162.565.347.8000110.8C116 Q117 I157 V158N114-C116 PolarHBondContact O-N 2.94Å; N114-C116 WeakPolarHBondContact OD1-CA 3.35Å; N114-C116 WeakPolarHBondContact OD1-CB 3.22Å; N114-C116 PolarHBondContact OD1-N 3.16Å; N114-Q117 PolarHBondContact O-N 3.39Å; N114-Q117 VanDerWaalsContact O-N 3.13Å; N114-Q117 PolarHBondContact OD1-N 3.47Å; N114-I157 CarbonylContact C-O 3.51Å; N114-I157 VanDerWaalsContact CA-O 3.27Å; N114-I157 WeakPolarHBondContact CA-O 3.43Å; N114-I157 WeakPolarHBondContact CB-O 3.12Å; N114-V158 HydrophobicContact CB-CG1 4.2Å
115L91.9Very high90.9Very high0 Ų048.3 Ų48.30%025%0.246CC..Hα-helixtrans-68.2-17.9-175.9-159.373.4000112.9Q117 V118 I119 L131 M135 P154 I157 V159 I214 L218L115-Q117 PolarHBondContact O-N 3.2Å; L115-V118 HydrophobicContact CD1-CB 3.9Å; L115-V118 HydrophobicContact CD1-CG1 3.98Å; L115-V118 HydrophobicContact CD1-CG2 4.2Å; L115-V118 HydrophobicContact CG-CB 4.45Å; L115-V118 PolarHBondContact O-N 2.9Å; L115-I119 WeakPolarHBondContact O-CD1 3.4Å; L115-I119 VanDerWaalsContact O-CG1 3.31Å; L115-I119 WeakPolarHBondContact O-CG1 3.46Å; L115-I119 PolarHBondContact O-N 3Å; L115-L131 HydrophobicContact CD1-CD1 4.37Å; L115-M135 HydrophobicContact CD2-SD 4.46Å; L115-P154 HydrophobicContact CB-CB 3.97Å; L115-P154 WeakPolarHBondContact CB-O 3.39Å; L115-P154 PolarHBondContact N-O 2.85Å; L115-I157 HydrophobicContact CB-CB 4.07Å; L115-I157 HydrophobicContact CB-CG2 4.08Å; L115-I157 HydrophobicContact CD2-CB 4.38Å; L115-I157 HydrophobicContact CD2-CD1 4.13Å; L115-I157 HydrophobicContact CD2-CG2 4.15Å; L115-I157 PolarHBondContact N-O 3.41Å; L115-V159 HydrophobicContact CD1-CG1 4.2Å; L115-I214 HydrophobicContact CD2-CG2 3.34Å; L115-L218 HydrophobicContact CD1-CD2 4.44Å; L115-L218 HydrophobicContact CG-CD2 4.46Å
116C88.7Confident90.9Very high51 Ų5153.4 Ų53.435%0.34527%0.27SS..Hα-helixtrans-60.1-36.6172.4-52.50000111.6N114 H120 S155N114-C116 PolarHBondContact O-N 2.94Å; N114-C116 WeakPolarHBondContact OD1-CA 3.35Å; N114-C116 WeakPolarHBondContact OD1-CB 3.22Å; N114-C116 PolarHBondContact OD1-N 3.16Å; C116-H120 PolarHBondContact O-CD2 3.42Å; C116-H120 VanDerWaalsContact O-CD2 3.27Å; C116-S155 PolarHBondContact SG-N 3.47Å
117Q87.7Confident90.9Very high112 Ų11259.2 Ų59.252%0.52329%0.292SS..Hα-helixtrans-73.1-36.6177.7-65.2170-57.200111A113 N114 L115 H120A113-Q117 VanDerWaalsContact CA-OE1 3.26Å; A113-Q117 HydrophobicContact CB-CB 4.43Å; N114-Q117 PolarHBondContact O-N 3.39Å; N114-Q117 VanDerWaalsContact O-N 3.13Å; N114-Q117 PolarHBondContact OD1-N 3.47Å; L115-Q117 PolarHBondContact O-N 3.2Å; Q117-H120 PolarHBondContact O-N 3.29Å
118V89Confident91Very high12 Ų1259.4 Ų59.47%0.07329%0.292CS..Hα-helixtrans-68.2-34.6179.4179.60000112.4L115 H120 M121 L123 L131 V159 L218L115-V118 HydrophobicContact CD1-CB 3.9Å; L115-V118 HydrophobicContact CD1-CG1 3.98Å; L115-V118 HydrophobicContact CD1-CG2 4.2Å; L115-V118 HydrophobicContact CG-CB 4.45Å; L115-V118 PolarHBondContact O-N 2.9Å; V118-H120 PolarHBondContact O-N 2.96Å; V118-H120 VanDerWaalsContact O-N 3.13Å; V118-M121 WeakPolarHBondContact O-CB 3.37Å; V118-M121 PolarHBondContact O-N 3.24Å; V118-L123 HydrophobicContact CG1-CD1 3.82Å; V118-L123 HydrophobicContact CG1-CD2 4.19Å; V118-L123 HydrophobicContact CG1-CG 4.37Å; V118-L131 HydrophobicContact CG1-CD1 4.12Å; V118-V159 HydrophobicContact CG2-CG2 3.48Å; V118-V159 VanDerWaalsContact CG2-CG2 3.48Å; V118-L218 HydrophobicContact CG1-CD2 4.32Å
119I88Confident91.1Very high5 Ų558.9 Ų58.93%0.02629%0.29CS..THydrogen-bonded Turntrans-57.3-26.7178.2-79.2159.7000113.1L115 P154 E217 L218L115-I119 WeakPolarHBondContact O-CD1 3.4Å; L115-I119 VanDerWaalsContact O-CG1 3.31Å; L115-I119 WeakPolarHBondContact O-CG1 3.46Å; L115-I119 PolarHBondContact O-N 3Å; I119-P154 HydrophobicContact CD1-CB 3.61Å; I119-P154 HydrophobicContact CD1-CG 3.44Å; I119-P154 VanDerWaalsContact CD1-CG 3.44Å; I119-E217 HydrophobicContact CD1-CG 3.77Å; I119-E217 HydrophobicContact CG1-CG 4.11Å; I119-E217 HydrophobicContact CG2-CG 3.62Å; I119-L218 HydrophobicContact CG1-CD2 3.64Å; I119-L218 HydrophobicContact CG1-CG 4.16Å
120H83.6Confident91.3Very high147 Ų14759.4 Ų59.468%0.68129%0.291SS*.THydrogen-bonded Turntrans-92.72178.6-60.8-55.2000113.5C116 Q117 V118C116-H120 PolarHBondContact O-CD2 3.42Å; C116-H120 VanDerWaalsContact O-CD2 3.27Å; Q117-H120 PolarHBondContact O-N 3.29Å; V118-H120 PolarHBondContact O-N 2.96Å; V118-H120 VanDerWaalsContact O-N 3.13Å
121M88.1Confident91.5Very high116 Ų11657.7 Ų57.757%0.57128%0.282SS*.SBendtrans-94.3149.2176.4-59.5175.663.800110.3V118 L123V118-M121 WeakPolarHBondContact O-CB 3.37Å; V118-M121 PolarHBondContact O-N 3.24Å; M121-L123 PolarHBondContact O-N 3.1Å
122E83.4Confident91.7Very high194 Ų19456.7 Ų56.791%0.90728%0.277SS*.  trans-73.4112.1168.3-67-178.8172.900109
123L90.2Very high92.1Very high20 Ų2051.9 Ų51.911%0.10525%0.251CS..  trans-106.7127.9176-65.5-179.4000109.7V118 M121 R127 L131 L218 P281V118-L123 HydrophobicContact CG1-CD1 3.82Å; V118-L123 HydrophobicContact CG1-CD2 4.19Å; V118-L123 HydrophobicContact CG1-CG 4.37Å; M121-L123 PolarHBondContact O-N 3.1Å; L123-R127 HydrophobicContact CD2-CB 4.17Å; L123-L131 HydrophobicContact CD1-CD1 3.99Å; L123-L218 HydrophobicContact CD1-CD2 3.89Å; L123-P281 WeakPolarHBondContact O-CG 3.35Å
124D93.4Very high92.5Very high54 Ų5450.7 Ų50.729%0.28924%0.241SC..  trans-66.5167.61645859.7000111.6E126 R127 M128D124-E126 PolarHBondContact O-N 3.31Å; D124-E126 WeakPolarHBondContact OD1-CA 2.94Å; D124-E126 WeakPolarHBondContact OD1-CB 3.09Å; D124-E126 PolarHBondContact OD1-N 3.16Å; D124-R127 WeakPolarHBondContact OD1-CB 3.4Å; D124-R127 WeakPolarHBondContact OD1-CG 3.4Å; D124-R127 PolarHBondContact OD1-N 2.85Å; D124-R127 WeakPolarHBondContact OD2-CD 3.48Å; D124-R127 IonicContact OD2-CZ 2.97Å; D124-R127 IonicContact OD2-NE 2.63Å; D124-R127 IonicContact OD2-NH1 2.65Å; D124-R127 PolarHBondContact OD2-NH1 2.67Å; D124-M128 WeakPolarHBondContact O-CB 3.42Å; D124-M128 PolarHBondContact O-N 3.31Å
125H94.6Very high92.9Very high2 Ų248.4 Ų48.41%0.00923%0.229CC..Hα-helixtrans-61.4-28.6178.9-76.5-65.9000113.6S129 P281 D287 K290 T291 Y320H125-S129 VanDerWaalsContact O-CB 3.24Å; H125-S129 WeakPolarHBondContact O-CB 3.21Å; H125-S129 PolarHBondContact O-N 2.79Å; H125-S129 PolarHBondContact O-OG 2.96Å; H125-P281 PolarHBondContact CD2-O 3.34Å; H125-P281 PolarHBondContact NE2-O 3.32Å; H125-P281 VanDerWaalsContact NE2-O 3.13Å; H125-D287 IonicContact CD2-OD1 3.66Å; H125-D287 PolarHBondContact NE2-O 2.91Å; H125-K290 HydrophobicContact CB-CB 4.14Å; H125-K290 HydrophobicContact CB-CD 3.51Å; H125-K290 HydrophobicContact CB-CG 4.45Å; H125-T291 PolarHBondContact NE2-OG1 2.86Å; H125-Y320 HydrophobicContact CB-CE2 4.27Å; H125-Y320 AromaticContact ND1-CE2 3.53Å; H125-Y320 AromaticContact ND1-CZ 3.63Å; H125-Y320 PolarHBondContact ND1-OH 2.99Å
126E94.7Very high93.2Very high108 Ų10848.4 Ų48.451%0.50523%0.229SC..Hα-helixtrans-71.2-50.2-177.2-63.8-174.3175.400110.3D124 M128 S129 Y130 K290 W324D124-E126 PolarHBondContact O-N 3.31Å; D124-E126 WeakPolarHBondContact OD1-CA 2.94Å; D124-E126 WeakPolarHBondContact OD1-CB 3.09Å; D124-E126 PolarHBondContact OD1-N 3.16Å; E126-M128 PolarHBondContact O-N 3.41Å; E126-S129 PolarHBondContact O-N 2.96Å; E126-S129 PolarHBondContact O-OG 3.44Å; E126-S129 VanDerWaalsContact O-OG 3.07Å; E126-Y130 WeakPolarHBondContact O-CB 3.4Å; E126-Y130 PolarHBondContact O-N 3.3Å; E126-K290 VanDerWaalsContact CG-NZ 3.27Å; E126-K290 IonicContact OE1-NZ 3.97Å; E126-K290 PolarHBondContact OE1-NZ 3.07Å; E126-K290 VanDerWaalsContact OE1-NZ 3.16Å; E126-W324 HydrophobicContact CB-CZ2 4.08Å
127R95.2Very high93.7Very high123 Ų12346 Ų4646%0.46421%0.213SC..Hα-helixtrans-60.9-45.4174.3-68.6173.3174.5140.5-12.2111.4L123 D124 Y130 L131L123-R127 HydrophobicContact CD2-CB 4.17Å; D124-R127 WeakPolarHBondContact OD1-CB 3.4Å; D124-R127 WeakPolarHBondContact OD1-CG 3.4Å; D124-R127 PolarHBondContact OD1-N 2.85Å; D124-R127 WeakPolarHBondContact OD2-CD 3.48Å; D124-R127 IonicContact OD2-CZ 2.97Å; D124-R127 IonicContact OD2-NE 2.63Å; D124-R127 IonicContact OD2-NH1 2.65Å; D124-R127 PolarHBondContact OD2-NH1 2.67Å; R127-Y130 PolarHBondContact O-N 2.84Å; R127-L131 VanDerWaalsContact O-CG 3.26Å; R127-L131 WeakPolarHBondContact O-CG 3.2Å; R127-L131 PolarHBondContact O-N 2.91Å
128M96.1Very high94Very high3 Ų340.7 Ų40.72%0.01519%0.188CC..Hα-helixtrans-61.6-51.9179.1-172.2-172.3-61.200111.5D124 E126 Y130 L131 L132 V219 Y320D124-M128 WeakPolarHBondContact O-CB 3.42Å; D124-M128 PolarHBondContact O-N 3.31Å; E126-M128 PolarHBondContact O-N 3.41Å; M128-Y130 VanDerWaalsContact C-N 3.3Å; M128-Y130 PolarHBondContact O-N 3.12Å; M128-L131 PolarHBondContact O-N 2.7Å; M128-L132 HydrophobicContact CG-CD1 4.5Å; M128-L132 VanDerWaalsContact O-CG 3.29Å; M128-L132 WeakPolarHBondContact O-CG 3.26Å; M128-L132 PolarHBondContact O-N 3.43Å; M128-V219 HydrophobicContact CE-CG2 3.86Å; M128-V219 HydrophobicContact SD-CG2 3.78Å; M128-Y320 PolarHBondContact SD-OH 3.04Å
129S97.5Very high94.3Very high5 Ų540.1 Ų40.14%0.03518%0.184CC..Hα-helixtrans-63.6-34.4178.9560000112.7H125 E126 L132 Y133 Y320 W324H125-S129 VanDerWaalsContact O-CB 3.24Å; H125-S129 WeakPolarHBondContact O-CB 3.21Å; H125-S129 PolarHBondContact O-N 2.79Å; H125-S129 PolarHBondContact O-OG 2.96Å; E126-S129 PolarHBondContact O-N 2.96Å; E126-S129 PolarHBondContact O-OG 3.44Å; E126-S129 VanDerWaalsContact O-OG 3.07Å; S129-L132 PolarHBondContact O-N 3.42Å; S129-Y133 WeakPolarHBondContact O-CB 3.25Å; S129-Y133 PolarHBondContact O-N 2.85Å; S129-Y320 WeakPolarHBondContact CB-O 3.42Å; S129-W324 PolarHBondContact OG-NE1 2.81Å
130Y97.8Very high94.7Very high56 Ų5641.9 Ų41.922%0.2219%0.192CC..Hα-helixtrans-69.8-39.2176.8-173.9-127.6000112.6E126 R127 M128 Y133 Q134 C163 W324E126-Y130 WeakPolarHBondContact O-CB 3.4Å; E126-Y130 PolarHBondContact O-N 3.3Å; R127-Y130 PolarHBondContact O-N 2.84Å; M128-Y130 VanDerWaalsContact C-N 3.3Å; M128-Y130 PolarHBondContact O-N 3.12Å; Y130-Y133 HydrophobicContact CD2-CD1 4.13Å; Y130-Y133 HydrophobicContact CE2-CD1 4.18Å; Y130-Y133 PolarHBondContact O-N 3.16Å; Y130-Q134 VanDerWaalsContact CD1-NE2 3.27Å; Y130-Q134 HydrophobicContact CD2-CG 4.47Å; Y130-Q134 HydrophobicContact CE2-CG 4.15Å; Y130-Q134 VanDerWaalsContact O-CG 3.31Å; Y130-Q134 WeakPolarHBondContact O-CG 3.18Å; Y130-Q134 PolarHBondContact O-N 3.34Å; Y130-Q134 PolarHBondContact O-NE2 2.86Å; Y130-C163 HydrophobicContact CD1-CB 4.15Å; Y130-C163 HydrophobicContact CE1-CB 4.4Å; Y130-W324 HydrophobicContact CD2-CB 4.39Å; Y130-W324 AromaticContact CD2-CD2 3.74Å; Y130-W324 HydrophobicContact CD2-CD2 3.74Å; Y130-W324 AromaticContact CD2-CE3 3.85Å; Y130-W324 HydrophobicContact CD2-CE3 3.85Å; Y130-W324 AromaticContact CD2-CG 3.97Å; Y130-W324 HydrophobicContact CD2-CG 3.97Å; Y130-W324 HydrophobicContact CD2-CZ3 4.42Å; Y130-W324 HydrophobicContact CE2-CE3 4.37Å; Y130-W324 HydrophobicContact CG-CD2 4.34Å
131L97.9Very high95.2Very high5 Ų535.2 Ų35.23%0.02616%0.161CC..Hα-helixtrans-63.1-44.1172-69.2170.9000111.1L115 V118 L123 R127 M128 Q134 M135 V159 L165L115-L131 HydrophobicContact CD1-CD1 4.37Å; V118-L131 HydrophobicContact CG1-CD1 4.12Å; L123-L131 HydrophobicContact CD1-CD1 3.99Å; R127-L131 VanDerWaalsContact O-CG 3.26Å; R127-L131 WeakPolarHBondContact O-CG 3.2Å; R127-L131 PolarHBondContact O-N 2.91Å; M128-L131 PolarHBondContact O-N 2.7Å; L131-Q134 PolarHBondContact O-N 3.39Å; L131-M135 WeakPolarHBondContact O-CG 3.37Å; L131-M135 PolarHBondContact O-N 3.33Å; L131-V159 HydrophobicContact CD2-CG1 3.92Å; L131-L165 HydrophobicContact CB-CD1 4.27Å; L131-L165 HydrophobicContact CD2-CB 4.16Å; L131-L165 HydrophobicContact CD2-CD1 3.89Å
132L98.3Very high95.3Very high0 Ų029.7 Ų29.70%013%0.134CC..Hα-helixtrans-61.1-44.8175.5-65.5175.2000111.9M128 S129 Q134 M135 L136 V211 M215 L297 Y320 I321M128-L132 HydrophobicContact CG-CD1 4.5Å; M128-L132 VanDerWaalsContact O-CG 3.29Å; M128-L132 WeakPolarHBondContact O-CG 3.26Å; M128-L132 PolarHBondContact O-N 3.43Å; S129-L132 PolarHBondContact O-N 3.42Å; L132-Q134 PolarHBondContact O-N 3.23Å; L132-M135 HydrophobicContact CB-CE 4.47Å; L132-M135 HydrophobicContact CD2-CE 3.39Å; L132-M135 HydrophobicContact CG-CE 4.34Å; L132-M135 PolarHBondContact O-N 2.86Å; L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.42Å; L132-V211 HydrophobicContact CD2-CG1 4.12Å; L132-M215 HydrophobicContact CD1-CE 3.85Å; L132-M215 HydrophobicContact CD1-CG 3.83Å; L132-M215 HydrophobicContact CD1-SD 3.53Å; L132-M215 VanDerWaalsContact CD1-SD 3.53Å; L132-M215 HydrophobicContact CD2-CB 3.81Å; L132-M215 HydrophobicContact CD2-CG 4.02Å; L132-M215 HydrophobicContact CD2-SD 4.38Å; L132-L297 HydrophobicContact CD1-CD2 4.43Å; L132-Y320 HydrophobicContact CD1-CD1 4.14Å; L132-Y320 HydrophobicContact CD1-CE1 3.83Å; L132-I321 HydrophobicContact CB-CD1 3.58Å; L132-I321 HydrophobicContact CD1-CD1 3.97Å; L132-I321 HydrophobicContact CG-CD1 4.45Å
133Y98.6Very high95.7Very high1 Ų121.4 Ų21.40%0.00410%0.095CC..Hα-helixtrans-56.5-49.1176.5169.3-109.8000111.7S129 Y130 M135 L136 C137 L316 I321 W324 D326 E329S129-Y133 WeakPolarHBondContact O-CB 3.25Å; S129-Y133 PolarHBondContact O-N 2.85Å; Y130-Y133 HydrophobicContact CD2-CD1 4.13Å; Y130-Y133 HydrophobicContact CE2-CD1 4.18Å; Y130-Y133 PolarHBondContact O-N 3.16Å; Y133-M135 PolarHBondContact O-N 3.35Å; Y133-L136 PolarHBondContact O-N 3.5Å; Y133-C137 WeakPolarHBondContact CE2-SG 3.46Å; Y133-C137 PolarHBondContact O-N 3.39Å; Y133-C137 PolarHBondContact O-SG 3.01Å; Y133-L316 HydrophobicContact CD2-CD2 3.76Å; Y133-L316 HydrophobicContact CE2-CD2 3.9Å; Y133-I321 HydrophobicContact CD2-CG2 3.92Å; Y133-I321 HydrophobicContact CG-CG2 4.45Å; Y133-W324 HydrophobicContact CD1-CB 3.53Å; Y133-W324 HydrophobicContact CD1-CG 4.4Å; Y133-W324 HydrophobicContact CD2-CB 3.93Å; Y133-W324 HydrophobicContact CE1-CB 3.98Å; Y133-W324 VanDerWaalsContact CE1-O 3.27Å; Y133-W324 WeakPolarHBondContact CE1-O 3.33Å; Y133-W324 HydrophobicContact CE2-CB 4.36Å; Y133-W324 HydrophobicContact CG-CB 3.51Å; Y133-W324 HydrophobicContact CG-CG 4.33Å; Y133-W324 PolarHBondContact OH-O 3.07Å; Y133-D326 PolarHBondContact OH-N 2.86Å; Y133-D326 PolarHBondContact OH-O 3.24Å; Y133-E329 VanDerWaalsContact CE1-OE2 3.29Å; Y133-E329 WeakPolarHBondContact CE1-OE2 3.35Å; Y133-E329 PolarHBondContact OH-OE2 3.48Å
134Q98.4Very high95.7Very high1 Ų123.3 Ų23.31%0.00511%0.11CC..Hα-helixtrans-63.5-40.1178.8-74.3178.188.200112.7N84 Y130 L131 L132 C137 G138 C163 L165N84-Q134 VanDerWaalsContact CB-O 3.27Å; N84-Q134 WeakPolarHBondContact CB-O 3.13Å; N84-Q134 VanDerWaalsContact ND2-CB 3.34Å; N84-Q134 WeakPolarHBondContact ND2-CB 3.49Å; N84-Q134 WeakPolarHBondContact ND2-CG 3.34Å; N84-Q134 PolarHBondContact ND2-OE1 3.47Å; Y130-Q134 VanDerWaalsContact CD1-NE2 3.27Å; Y130-Q134 HydrophobicContact CD2-CG 4.47Å; Y130-Q134 HydrophobicContact CE2-CG 4.15Å; Y130-Q134 VanDerWaalsContact O-CG 3.31Å; Y130-Q134 WeakPolarHBondContact O-CG 3.18Å; Y130-Q134 PolarHBondContact O-N 3.34Å; Y130-Q134 PolarHBondContact O-NE2 2.86Å; L131-Q134 PolarHBondContact O-N 3.39Å; L132-Q134 PolarHBondContact O-N 3.23Å; Q134-C137 PolarHBondContact O-N 3.04Å; Q134-G138 PolarHBondContact O-N 2.74Å; Q134-C163 PolarHBondContact NE2-O 2.85Å; Q134-L165 HydrophobicContact CB-CB 3.98Å; Q134-L165 HydrophobicContact CB-CD2 4.35Å
135M98.1Very high95.3Very high2 Ų221.7 Ų21.71%0.0110%0.104CC..Hα-helixtrans-60.8-46.9172.6-72-169.9-59.400111.2L115 L131 L132 Y133 C137 G138 I139 I157 L165 V211 I214L115-M135 HydrophobicContact CD2-SD 4.46Å; L131-M135 WeakPolarHBondContact O-CG 3.37Å; L131-M135 PolarHBondContact O-N 3.33Å; L132-M135 HydrophobicContact CB-CE 4.47Å; L132-M135 HydrophobicContact CD2-CE 3.39Å; L132-M135 HydrophobicContact CG-CE 4.34Å; L132-M135 PolarHBondContact O-N 2.86Å; Y133-M135 PolarHBondContact O-N 3.35Å; M135-C137 VanDerWaalsContact C-N 3.34Å; M135-C137 PolarHBondContact O-N 3.38Å; M135-G138 PolarHBondContact O-N 2.91Å; M135-I139 WeakPolarHBondContact O-CB 3.23Å; M135-I139 WeakPolarHBondContact O-CD1 3.42Å; M135-I139 WeakPolarHBondContact O-CG1 3.47Å; M135-I139 PolarHBondContact O-N 3.32Å; M135-I157 HydrophobicContact SD-CD1 3.61Å; M135-L165 HydrophobicContact CG-CD1 3.52Å; M135-L165 HydrophobicContact CG-CD2 3.66Å; M135-L165 HydrophobicContact CG-CG 4.28Å; M135-L165 HydrophobicContact SD-CD1 4.27Å; M135-V211 HydrophobicContact CE-CG1 4.04Å; M135-I214 HydrophobicContact CE-CG2 4.19Å; M135-I214 HydrophobicContact SD-CD1 4.48Å; M135-I214 HydrophobicContact SD-CG2 4.29Å
136L98.4Very high94.9Very high0 Ų022.7 Ų22.70%012%0.115CC..Hα-helixtrans-62.8-38.3179.3-71.1169.4000112.1L132 Y133 I139 K140 I208 M301 V312 A315 L316 I321L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.4Å; L132-L136 PolarHBondContact O-N 3.42Å; Y133-L136 PolarHBondContact O-N 3.5Å; L136-I139 PolarHBondContact O-N 3.02Å; L136-K140 VanDerWaalsContact O-CB 3.28Å; L136-K140 WeakPolarHBondContact O-CB 3.49Å; L136-K140 PolarHBondContact O-N 3.25Å; L136-I208 HydrophobicContact CD2-CD1 3.49Å; L136-I208 VanDerWaalsContact CD2-CD1 3.49Å; L136-M301 HydrophobicContact CD1-CE 4.36Å; L136-M301 HydrophobicContact CD2-CE 4.3Å; L136-V312 HydrophobicContact CD2-CG1 4.3Å; L136-A315 HydrophobicContact CD1-CB 3.89Å; L136-A315 HydrophobicContact CD2-CB 3.94Å; L136-L316 HydrophobicContact CB-CD2 3.58Å; L136-L316 HydrophobicContact CB-CG 3.93Å; L136-L316 HydrophobicContact CD1-CD2 4.31Å; L136-L316 HydrophobicContact CD1-CG 4.48Å; L136-I321 HydrophobicContact CD1-CG1 4.22Å; L136-I321 HydrophobicContact CD1-CG2 4.02Å
137C97.8Very high94.4Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-64.9-46.7174.3-66.30000111.8Y133 Q134 M135 I139 K140 H141Y133-C137 WeakPolarHBondContact CE2-SG 3.46Å; Y133-C137 PolarHBondContact O-N 3.39Å; Y133-C137 PolarHBondContact O-SG 3.01Å; Q134-C137 PolarHBondContact O-N 3.04Å; M135-C137 VanDerWaalsContact C-N 3.34Å; M135-C137 PolarHBondContact O-N 3.38Å; C137-I139 VanDerWaalsContact C-N 3.33Å; C137-I139 PolarHBondContact O-N 2.92Å; C137-K140 PolarHBondContact O-N 2.91Å; C137-H141 WeakPolarHBondContact O-CB 3.41Å; C137-H141 PolarHBondContact O-N 3.34Å
138G95.8Very high94.2Very high0 Ų011.8 Ų11.80%07%0.069CC..Hα-helixtrans-59.1-43.4175.200000112.4Q134 M135 H141 L142Q134-G138 PolarHBondContact O-N 2.74Å; M135-G138 PolarHBondContact O-N 2.91Å; G138-H141 PolarHBondContact O-N 2.78Å; G138-L142 WeakPolarHBondContact O-CG 3.49Å; G138-L142 PolarHBondContact O-N 3.05Å; G138-L142 VanDerWaalsContact O-N 3.12Å
139I95.4Very high93.8Very high0 Ų011.7 Ų11.70%07%0.069CC..Hα-helixtrans-64.6-46.6177-69165.1000111.1M135 L136 C137 H141 L142 H143 L152 I167 D207 V211 V312M135-I139 WeakPolarHBondContact O-CB 3.23Å; M135-I139 WeakPolarHBondContact O-CD1 3.42Å; M135-I139 WeakPolarHBondContact O-CG1 3.47Å; M135-I139 PolarHBondContact O-N 3.32Å; L136-I139 PolarHBondContact O-N 3.02Å; C137-I139 VanDerWaalsContact C-N 3.33Å; C137-I139 PolarHBondContact O-N 2.92Å; I139-H141 VanDerWaalsContact C-N 3.27Å; I139-H141 PolarHBondContact O-N 3.48Å; I139-L142 WeakPolarHBondContact O-CB 3.48Å; I139-L142 PolarHBondContact O-N 3.05Å; I139-L142 VanDerWaalsContact O-N 3.16Å; I139-H143 WeakPolarHBondContact CG2-CE1 3.34Å; I139-H143 VanDerWaalsContact O-CG 3.27Å; I139-H143 PolarHBondContact O-N 2.88Å; I139-L152 HydrophobicContact CD1-CD1 3.44Å; I139-L152 VanDerWaalsContact CD1-CD1 3.44Å; I139-L152 HydrophobicContact CG1-CD1 3.81Å; I139-I167 HydrophobicContact CG1-CD1 3.97Å; I139-D207 HydrophobicContact CD1-CB 4.49Å; I139-D207 HydrophobicContact CG2-CB 4.01Å; I139-V211 HydrophobicContact CD1-CG2 3.33Å; I139-V312 HydrophobicContact CG2-CG2 3.86Å
140K95.5Very high93.2Very high43 Ų4311.8 Ų11.819%0.1877%0.068CC..Hα-helixtrans-57.5-43.1177.4-178.2167.4166.968.30111.4L136 C137 H143 S144 V312 D313 L316 A330L136-K140 VanDerWaalsContact O-CB 3.28Å; L136-K140 WeakPolarHBondContact O-CB 3.49Å; L136-K140 PolarHBondContact O-N 3.25Å; C137-K140 PolarHBondContact O-N 2.91Å; K140-H143 PolarHBondContact O-N 3.41Å; K140-S144 WeakPolarHBondContact O-CB 3.17Å; K140-S144 PolarHBondContact O-N 3.41Å; K140-S144 PolarHBondContact O-OG 2.99Å; K140-V312 HydrophobicContact CB-CG1 3.77Å; K140-V312 HydrophobicContact CG-CG1 4.49Å; K140-D313 WeakPolarHBondContact CE-OD1 3.41Å; K140-D313 IonicContact NZ-OD1 2.9Å; K140-D313 PolarHBondContact NZ-OD1 3.23Å; K140-D313 IonicContact NZ-OD2 3.34Å; K140-L316 HydrophobicContact CB-CD1 4.38Å; K140-L316 HydrophobicContact CD-CD1 3.49Å; K140-L316 VanDerWaalsContact CD-CD1 3.49Å; K140-A330 WeakPolarHBondContact CD-O 3.38Å; K140-A330 WeakPolarHBondContact CE-O 3.23Å
141H93.4Very high92.6Very high6 Ų69.4 Ų9.43%0.0286%0.059CC..Hα-helixtrans-63.2-42.2178-171.684.6000111.8N81 H82 I85 C137 G138 I139 S144 A145 A332 P333 P335N81-H141 PolarHBondContact O-NE2 3.38Å; H82-H141 HydrophobicContact CB-CB 4.32Å; H82-H141 VanDerWaalsContact CB-CD2 3.49Å; H82-H141 WeakPolarHBondContact CB-CD2 3.29Å; H82-H141 AromaticContact CD2-CG 3.88Å; H82-H141 AromaticContact CD2-ND1 3.78Å; H82-H141 AromaticContact CG-CG 3.82Å; I85-H141 HydrophobicContact CD1-CB 4.31Å; C137-H141 WeakPolarHBondContact O-CB 3.41Å; C137-H141 PolarHBondContact O-N 3.34Å; G138-H141 PolarHBondContact O-N 2.78Å; I139-H141 VanDerWaalsContact C-N 3.27Å; I139-H141 PolarHBondContact O-N 3.48Å; H141-S144 PolarHBondContact O-N 3.31Å; H141-S144 PolarHBondContact O-OG 2.63Å; H141-A145 PolarHBondContact O-N 3.47Å; H141-A332 PolarHBondContact ND1-O 2.76Å; H141-P333 PolarHBondContact CE1-O 3.49Å; H141-P335 WeakPolarHBondContact NE2-CD 3.31Å
142L90.8Very high92.4Very high0 Ų09.3 Ų9.30%06%0.059CC..Hα-helixtrans-61.5-47.8172.8-67.2170.5000112V80 I85 G138 I139 S144 A145 G146 I147 H149 F170V80-L142 HydrophobicContact CG1-CD2 4.38Å; V80-L142 HydrophobicContact CG2-CD2 4.27Å; I85-L142 HydrophobicContact CD1-CD1 4.43Å; I85-L142 HydrophobicContact CD1-CD2 3.75Å; I85-L142 HydrophobicContact CD1-CG 3.72Å; G138-L142 WeakPolarHBondContact O-CG 3.49Å; G138-L142 PolarHBondContact O-N 3.05Å; G138-L142 VanDerWaalsContact O-N 3.12Å; I139-L142 WeakPolarHBondContact O-CB 3.48Å; I139-L142 PolarHBondContact O-N 3.05Å; I139-L142 VanDerWaalsContact O-N 3.16Å; L142-S144 VanDerWaalsContact C-N 3.3Å; L142-S144 PolarHBondContact O-N 3.36Å; L142-A145 CarbonylContact O-C 3.18Å; L142-A145 WeakPolarHBondContact O-CA 3.21Å; L142-A145 WeakPolarHBondContact O-CB 3.24Å; L142-A145 PolarHBondContact O-N 3.42Å; L142-G146 PolarHBondContact O-N 3.32Å; L142-I147 CarbonylContact C-O 3.58Å; L142-I147 HydrophobicContact CB-CB 4.23Å; L142-I147 WeakPolarHBondContact CB-O 3.42Å; L142-I147 HydrophobicContact CD2-CB 4.42Å; L142-I147 HydrophobicContact CD2-CD1 4.06Å; L142-I147 HydrophobicContact CD2-CG2 4.31Å; L142-I147 WeakPolarHBondContact O-CB 3.46Å; L142-I147 PolarHBondContact O-N 2.91Å; L142-H149 HydrophobicContact CD1-CB 4.42Å; L142-F170 HydrophobicContact CD1-CD1 4.41Å; L142-F170 HydrophobicContact CD1-CE1 3.76Å; L142-F170 HydrophobicContact CD2-CD1 4.08Å; L142-F170 HydrophobicContact CD2-CE1 3.59Å; L142-F170 HydrophobicContact CD2-CZ 4.29Å; L142-F170 HydrophobicContact CG-CE1 4.29Å
143H91.8Very high92Very high21 Ų2110.1 Ų10.110%0.0976%0.062CC..Hα-helixtrans-61.8-37.9179.7-67.2171.5000112I139 K140 A145 G146 I147 E204 D207 V312I139-H143 WeakPolarHBondContact CG2-CE1 3.34Å; I139-H143 VanDerWaalsContact O-CG 3.27Å; I139-H143 PolarHBondContact O-N 2.88Å; K140-H143 PolarHBondContact O-N 3.41Å; H143-A145 PolarHBondContact O-N 3.05Å; H143-G146 WeakPolarHBondContact O-CA 3.42Å; H143-G146 PolarHBondContact O-N 2.88Å; H143-I147 PolarHBondContact CD2-O 3.36Å; H143-I147 VanDerWaalsContact CD2-O 3.3Å; H143-I147 PolarHBondContact N-O 2.81Å; H143-E204 HydrophobicContact CB-CB 4.42Å; H143-E204 HydrophobicContact CB-CG 4.09Å; H143-E204 PolarHBondContact CE1-O 2.97Å; H143-E204 WeakPolarHBondContact ND1-CB 3.49Å; H143-E204 PolarHBondContact NE2-O 3.32Å; H143-D207 IonicContact CD2-OD2 3.16Å; H143-D207 IonicContact CE1-OD2 2.7Å; H143-D207 IonicContact NE2-OD2 2.65Å; H143-D207 PolarHBondContact NE2-OD2 2.91Å; H143-V312 WeakPolarHBondContact ND1-CG2 3.45Å
144S90.2Very high91.7Very high60 Ų6010.2 Ų10.242%0.426%0.063SC..Hα-helixtrans-64.6-23175.472.50000113.4K140 H141 L142 G146 P334K140-S144 WeakPolarHBondContact O-CB 3.17Å; K140-S144 PolarHBondContact O-N 3.41Å; K140-S144 PolarHBondContact O-OG 2.99Å; H141-S144 PolarHBondContact O-N 3.31Å; H141-S144 PolarHBondContact O-OG 2.63Å; L142-S144 VanDerWaalsContact C-N 3.3Å; L142-S144 PolarHBondContact O-N 3.36Å; S144-G146 VanDerWaalsContact C-N 3.32Å; S144-P334 WeakPolarHBondContact O-CB 3.36Å; S144-P334 WeakPolarHBondContact OG-CB 3.26Å
145A85.4Confident91.3Very high19 Ų1912.6 Ų12.616%0.1578%0.08CC..THydrogen-bonded Turntrans-89.93.9171.300000113.1H141 L142 H143 I147 P334 P335 I337H141-A145 PolarHBondContact O-N 3.47Å; L142-A145 CarbonylContact O-C 3.18Å; L142-A145 WeakPolarHBondContact O-CA 3.21Å; L142-A145 WeakPolarHBondContact O-CB 3.24Å; L142-A145 PolarHBondContact O-N 3.42Å; H143-A145 PolarHBondContact O-N 3.05Å; A145-I147 VanDerWaalsContact C-N 3.3Å; A145-I147 HydrophobicContact CB-CD1 4Å; A145-I147 HydrophobicContact CB-CG1 4.26Å; A145-I147 PolarHBondContact O-N 2.78Å; A145-P334 HydrophobicContact CB-CB 4.41Å; A145-P335 HydrophobicContact CB-CG 3.66Å; A145-I337 HydrophobicContact CB-CD1 3.89Å; A145-I337 HydrophobicContact CB-CG1 4.27Å; A145-I337 WeakPolarHBondContact O-CD1 3.36Å
146G85.2Confident90.9Very high23 Ų2313.1 Ų13.124%0.2378%0.083CC..THydrogen-bonded Turntrans76.410.9-175.400000114.5L142 H143 S144 T175 A176L142-G146 PolarHBondContact O-N 3.32Å; H143-G146 WeakPolarHBondContact O-CA 3.42Å; H143-G146 PolarHBondContact O-N 2.88Å; S144-G146 VanDerWaalsContact C-N 3.32Å; G146-T175 CarbonylContact O-C 3.54Å; G146-T175 WeakPolarHBondContact O-CA 3.26Å; G146-A176 PolarHBondContact O-N 2.99Å
147I85.9Confident90.7Very high3 Ų313.2 Ų13.22%0.0158%0.083CC..EExtended strand (participates in β ladder)trans-96.2121.6-179.1-55.5160000109.9L76 V80 L142 H143 A145 A173 I337L76-I147 HydrophobicContact CD1-CG2 4.41Å; L76-I147 HydrophobicContact CD2-CD1 3.57Å; L76-I147 HydrophobicContact CD2-CG1 4.07Å; V80-I147 HydrophobicContact CG2-CD1 4.03Å; L142-I147 CarbonylContact C-O 3.58Å; L142-I147 HydrophobicContact CB-CB 4.23Å; L142-I147 WeakPolarHBondContact CB-O 3.42Å; L142-I147 HydrophobicContact CD2-CB 4.42Å; L142-I147 HydrophobicContact CD2-CD1 4.06Å; L142-I147 HydrophobicContact CD2-CG2 4.31Å; L142-I147 WeakPolarHBondContact O-CB 3.46Å; L142-I147 PolarHBondContact O-N 2.91Å; H143-I147 PolarHBondContact CD2-O 3.36Å; H143-I147 VanDerWaalsContact CD2-O 3.3Å; H143-I147 PolarHBondContact N-O 2.81Å; A145-I147 VanDerWaalsContact C-N 3.3Å; A145-I147 HydrophobicContact CB-CD1 4Å; A145-I147 HydrophobicContact CB-CG1 4.26Å; A145-I147 PolarHBondContact O-N 2.78Å; I147-A173 HydrophobicContact CG2-CB 3.64Å; I147-I337 HydrophobicContact CD1-CD1 3.48Å; I147-I337 VanDerWaalsContact CD1-CD1 3.48Å; I147-I337 HydrophobicContact CG1-CD1 3.41Å; I147-I337 VanDerWaalsContact CG1-CD1 3.41Å
148I89.1Confident90.5Very high0 Ų014 Ų140%09%0.088CC..EExtended strand (participates in β ladder)trans-102.4127.7171-53.6-179.9000109R150 A173 R174 A176 Y202 E204 V206 D207I148-R150 HydrophobicContact CB-CG 4.22Å; I148-R150 HydrophobicContact CG2-CG 3.6Å; I148-A173 CarbonylContact O-C 3.29Å; I148-A173 VanDerWaalsContact O-C 3.29Å; I148-A173 WeakPolarHBondContact O-CA 3.09Å; I148-A173 WeakPolarHBondContact O-CB 3.5Å; I148-R174 PolarHBondContact N-O 3.07Å; I148-R174 PolarHBondContact O-N 3.48Å; I148-A176 HydrophobicContact CD1-CB 3.85Å; I148-A176 HydrophobicContact CG1-CB 4.27Å; I148-Y202 HydrophobicContact CD1-CD2 4.12Å; I148-Y202 HydrophobicContact CD1-CE2 4.14Å; I148-E204 HydrophobicContact CD1-CG 4.27Å; I148-E204 HydrophobicContact CG1-CG 4.23Å; I148-V206 HydrophobicContact CG2-CG1 3.25Å; I148-D207 WeakPolarHBondContact CG2-OD2 3.47Å
149H88.9Confident90.5Very high0 Ų014.4 Ų14.40%09%0.09CC..  trans-72.2-50.3-170.7-171.5-75.7000113.1L142 D151 L152 L168 D169 A173 D207L142-H149 HydrophobicContact CD1-CB 4.42Å; H149-D151 VanDerWaalsContact CE1-C 3.44Å; H149-D151 PolarHBondContact CE1-O 3.47Å; H149-D151 VanDerWaalsContact ND1-C 3.31Å; H149-D151 PolarHBondContact ND1-N 2.89Å; H149-D151 PolarHBondContact O-N 3.46Å; H149-L152 HydrophobicContact CB-CD1 4.5Å; H149-L152 HydrophobicContact CB-CD2 4.34Å; H149-L152 HydrophobicContact CB-CG 4.01Å; H149-L152 WeakPolarHBondContact ND1-CG 3.18Å; H149-L152 PolarHBondContact ND1-N 2.91Å; H149-L152 VanDerWaalsContact ND1-N 3.14Å; H149-L168 PolarHBondContact NE2-O 2.92Å; H149-D169 PolarHBondContact NE2-O 3.25Å; H149-A173 WeakPolarHBondContact O-CA 3.16Å; H149-D207 PolarHBondContact N-OD2 3.31Å
150R85.5Confident90.4Very high8 Ų817.8 Ų17.83%0.0311%0.105CC..  trans64.8-11.9175.2-49.6-176.2-53.4149.215.9117.9I148 L172 M182 Y202 V206 D207I148-R150 HydrophobicContact CB-CG 4.22Å; I148-R150 HydrophobicContact CG2-CG 3.6Å; R150-L172 PolarHBondContact NE-O 3.45Å; R150-L172 PolarHBondContact NH2-O 2.88Å; R150-M182 HydrophobicContact CB-CE 4.04Å; R150-Y202 HydrophobicContact CG-CE2 4.49Å; R150-Y202 PolarHBondContact NH1-OH 2.65Å; R150-V206 HydrophobicContact CG-CG1 4.22Å; R150-D207 PolarHBondContact N-OD1 2.81Å
151D84.9Confident90.2Very high6 Ų620.9 Ų20.93%0.03213%0.132CC..  trans-126.937.3174.9-158.355.3000112.1H149 K153 N156 L172 R192H149-D151 VanDerWaalsContact CE1-C 3.44Å; H149-D151 PolarHBondContact CE1-O 3.47Å; H149-D151 VanDerWaalsContact ND1-C 3.31Å; H149-D151 PolarHBondContact ND1-N 2.89Å; H149-D151 PolarHBondContact O-N 3.46Å; D151-K153 PolarHBondContact O-N 3.04Å; D151-K153 IonicContact OD1-NZ 3.32Å; D151-K153 IonicContact OD2-NZ 3.05Å; D151-K153 PolarHBondContact OD2-NZ 3.11Å; D151-N156 PolarHBondContact O-ND2 3.48Å; D151-L172 HydrophobicContact CB-CB 4Å; D151-L172 HydrophobicContact CB-CD1 3.65Å; D151-L172 HydrophobicContact CB-CG 4.41Å; D151-R192 IonicContact OD1-NH2 3.36Å
152L92.1Very high90.1Very high3 Ų325.3 Ų25.32%0.01616%0.156CC..  trans-66.7128.3173.6-75.6174.9000109.5I139 H149 I167 Y191 D207 V211I139-L152 HydrophobicContact CD1-CD1 3.44Å; I139-L152 VanDerWaalsContact CD1-CD1 3.44Å; I139-L152 HydrophobicContact CG1-CD1 3.81Å; H149-L152 HydrophobicContact CB-CD1 4.5Å; H149-L152 HydrophobicContact CB-CD2 4.34Å; H149-L152 HydrophobicContact CB-CG 4.01Å; H149-L152 WeakPolarHBondContact ND1-CG 3.18Å; H149-L152 PolarHBondContact ND1-N 2.91Å; H149-L152 VanDerWaalsContact ND1-N 3.14Å; L152-I167 HydrophobicContact CD2-CD1 4.42Å; L152-I167 HydrophobicContact CD2-CG2 3.83Å; L152-Y191 WeakPolarHBondContact O-CB 3.43Å; L152-D207 HydrophobicContact CD1-CB 3.76Å; L152-V211 HydrophobicContact CD1-CG2 4.37Å
153K91.3Very high90.2Very high17 Ų1726.8 Ų26.87%0.07417%0.166CC..  trans-160.5159.8179.462.1-170178.5-144.80109.4D151 S155 N156 Y191D151-K153 PolarHBondContact O-N 3.04Å; D151-K153 IonicContact OD1-NZ 3.32Å; D151-K153 IonicContact OD2-NZ 3.05Å; D151-K153 PolarHBondContact OD2-NZ 3.11Å; K153-S155 WeakPolarHBondContact CE-OG 3.26Å; K153-S155 WeakPolarHBondContact CG-OG 3.33Å; K153-S155 PolarHBondContact O-N 2.94Å; K153-S155 VanDerWaalsContact O-N 3.12Å; K153-N156 VanDerWaalsContact CE-OD1 3.26Å; K153-N156 WeakPolarHBondContact CE-OD1 3.45Å; K153-N156 HydrophobicContact CG-CB 4.09Å; K153-N156 PolarHBondContact O-N 3.38Å; K153-Y191 HydrophobicContact CB-CD2 3.45Å; K153-Y191 VanDerWaalsContact CB-CD2 3.45Å; K153-Y191 HydrophobicContact CB-CE2 3.86Å; K153-Y191 HydrophobicContact CB-CG 3.99Å
154P92.6Very high90.4Very high2 Ų227.7 Ų27.71%0.01317%0.173CC..G310 helixtrans-55.8-33.9-176-29.637.4000114.8L115 I119 N156 I157 Y191 I214L115-P154 HydrophobicContact CB-CB 3.97Å; L115-P154 WeakPolarHBondContact CB-O 3.39Å; L115-P154 PolarHBondContact N-O 2.85Å; I119-P154 HydrophobicContact CD1-CB 3.61Å; I119-P154 HydrophobicContact CD1-CG 3.44Å; I119-P154 VanDerWaalsContact CD1-CG 3.44Å; P154-N156 PolarHBondContact O-N 3.35Å; P154-I157 PolarHBondContact O-N 2.85Å; P154-Y191 VanDerWaalsContact CD-CE1 3.43Å; P154-Y191 WeakPolarHBondContact CD-OH 3.29Å; P154-Y191 HydrophobicContact CG-CE1 3.82Å; P154-Y191 HydrophobicContact CG-CE2 4.44Å; P154-Y191 WeakPolarHBondContact CG-OH 3.31Å; P154-I214 HydrophobicContact CG-CG1 4.14Å
155S88.4Confident90.7Very high51 Ų5124.9 Ų24.936%0.35715%0.153SC..G310 helixtrans-70.2-19.6178.270.80000114.2C116 K153C116-S155 PolarHBondContact SG-N 3.47Å; K153-S155 WeakPolarHBondContact CE-OG 3.26Å; K153-S155 WeakPolarHBondContact CG-OG 3.33Å; K153-S155 PolarHBondContact O-N 2.94Å; K153-S155 VanDerWaalsContact O-N 3.12Å
156N91.3Very high91.3Very high14 Ų1425 Ų258%0.07515%0.15CC..G310 helixtrans-9911.1178.6-72.714000111.6D151 K153 P154 L168 D169D151-N156 PolarHBondContact O-ND2 3.48Å; K153-N156 VanDerWaalsContact CE-OD1 3.26Å; K153-N156 WeakPolarHBondContact CE-OD1 3.45Å; K153-N156 HydrophobicContact CG-CB 4.09Å; K153-N156 PolarHBondContact O-N 3.38Å; P154-N156 PolarHBondContact O-N 3.35Å; N156-L168 WeakPolarHBondContact O-CB 3.35Å; N156-L168 PolarHBondContact O-N 2.79Å; N156-D169 PolarHBondContact ND2-OD2 3.11Å; N156-D169 VanDerWaalsContact ND2-OD2 3.08Å
157I93.9Very high91.7Very high1 Ų123.9 Ų23.91%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-124.6124.6177.2-65.6159.9000106.9N114 L115 M135 P154 L165 I214N114-I157 CarbonylContact C-O 3.51Å; N114-I157 VanDerWaalsContact CA-O 3.27Å; N114-I157 WeakPolarHBondContact CA-O 3.43Å; N114-I157 WeakPolarHBondContact CB-O 3.12Å; L115-I157 HydrophobicContact CB-CB 4.07Å; L115-I157 HydrophobicContact CB-CG2 4.08Å; L115-I157 HydrophobicContact CD2-CB 4.38Å; L115-I157 HydrophobicContact CD2-CD1 4.13Å; L115-I157 HydrophobicContact CD2-CG2 4.15Å; L115-I157 PolarHBondContact N-O 3.41Å; M135-I157 HydrophobicContact SD-CD1 3.61Å; P154-I157 PolarHBondContact O-N 2.85Å; I157-L165 HydrophobicContact CG2-CD1 3.45Å; I157-L165 VanDerWaalsContact CG2-CD1 3.45Å; I157-L165 HydrophobicContact CG2-CD2 3.93Å; I157-L165 HydrophobicContact CG2-CG 3.59Å; I157-I214 HydrophobicContact CD1-CD1 3.53Å
158V94.1Very high91.9Very high18 Ų1825.7 Ų25.711%0.10915%0.149CC..EExtended strand (participates in β ladder)trans-118147.6-178.5-73.80000110.9M111 A113 N114 L165 K166 L168M111-V158 HydrophobicContact CB-CB 3.73Å; M111-V158 HydrophobicContact CB-CG1 4.47Å; M111-V158 HydrophobicContact CB-CG2 3.97Å; M111-V158 HydrophobicContact CE-CG2 4.26Å; M111-V158 HydrophobicContact CG-CB 3.93Å; M111-V158 HydrophobicContact CG-CG2 3.56Å; A113-V158 CarbonylContact O-C 3.55Å; A113-V158 VanDerWaalsContact O-CA 3.26Å; A113-V158 WeakPolarHBondContact O-CA 3.44Å; A113-V158 WeakPolarHBondContact O-CB 3.28Å; N114-V158 HydrophobicContact CB-CG1 4.2Å; V158-L165 WeakPolarHBondContact O-CA 3.16Å; V158-K166 HydrophobicContact CG2-CB 4.13Å; V158-K166 VanDerWaalsContact CG2-O 3.32Å; V158-K166 WeakPolarHBondContact CG2-O 3.47Å; V158-K166 PolarHBondContact N-O 2.84Å; V158-K166 PolarHBondContact O-N 3.02Å; V158-L168 HydrophobicContact CB-CD1 4.44Å; V158-L168 HydrophobicContact CG1-CD1 3.52Å; V158-L168 HydrophobicContact CG1-CG 4.15Å; V158-L168 HydrophobicContact CG2-CD1 4.1Å; V158-L168 HydrophobicContact CG2-CD2 3.71Å; V158-L168 HydrophobicContact CG2-CG 3.8Å
159V95.5Very high91.2Very high8 Ų826.3 Ų26.35%0.04815%0.152CC..EExtended strand (participates in β ladder)trans-131.9158.1-176.2-58.40000111.4D112 A113 L115 V118 L131 T164 L165D112-V159 PolarHBondContact N-O 2.89Å; A113-V159 HydrophobicContact CB-CG2 4.03Å; A113-V159 PolarHBondContact N-O 2.75Å; A113-V159 VanDerWaalsContact N-O 3.11Å; A113-V159 PolarHBondContact O-N 3.32Å; L115-V159 HydrophobicContact CD1-CG1 4.2Å; V118-V159 HydrophobicContact CG2-CG2 3.48Å; V118-V159 VanDerWaalsContact CG2-CG2 3.48Å; L131-V159 HydrophobicContact CD2-CG1 3.92Å; V159-T164 CarbonylContact C-O 3.58Å; V159-T164 WeakPolarHBondContact CA-O 3.28Å; V159-L165 HydrophobicContact CG1-CB 4.25Å; V159-L165 HydrophobicContact CG1-CD1 4.23Å; V159-L165 HydrophobicContact CG1-CG 4.27Å
160K93.6Very high90.1Very high70 Ų7026.3 Ų26.330%0.30415%0.152SC..  trans-107.4167.5164.2-68-178.8-179.3179.90111.1M111 D112 D162 C163 T164M111-K160 HydrophobicContact CE-CD 4.45Å; M111-K160 HydrophobicContact CE-CG 3.74Å; M111-K160 HydrophobicContact SD-CD 4.18Å; M111-K160 VanDerWaalsContact SD-CE 3.51Å; M111-K160 HydrophobicContact SD-CG 3.81Å; D112-K160 WeakPolarHBondContact OD2-CA 3.48Å; K160-D162 VanDerWaalsContact CB-OD1 3.23Å; K160-D162 WeakPolarHBondContact CB-OD1 3.34Å; K160-D162 PolarHBondContact O-N 2.86Å; K160-C163 PolarHBondContact O-N 2.86Å; K160-T164 WeakPolarHBondContact CB-OG1 3.38Å; K160-T164 PolarHBondContact N-O 3.43Å
161S90.1Very high88.7Confident109 Ų10926 Ų2676%0.76215%0.151SC*.THydrogen-bonded Turntrans-57.5-24.2175.344.10000114.4D112 C163D112-S161 WeakPolarHBondContact OD2-CB 3.32Å; D112-S161 PolarHBondContact OD2-N 3.04Å; D112-S161 PolarHBondContact OD2-OG 2.82Å; S161-C163 PolarHBondContact O-N 3.39Å
162D91.9Very high87.6Confident98 Ų9827.2 Ų27.252%0.52416%0.157SC..THydrogen-bonded Turntrans-84.112.5173.567.1-2000113.7K160 T164K160-D162 VanDerWaalsContact CB-OD1 3.23Å; K160-D162 WeakPolarHBondContact CB-OD1 3.34Å; K160-D162 PolarHBondContact O-N 2.86Å; D162-T164 PolarHBondContact O-N 2.89Å; D162-T164 VanDerWaalsContact OD1-CB 3.29Å; D162-T164 WeakPolarHBondContact OD1-CB 3.43Å; D162-T164 VanDerWaalsContact OD1-CG2 3.23Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.41Å; D162-T164 PolarHBondContact OD1-N 2.92Å; D162-T164 PolarHBondContact OD1-OG1 3.22Å; D162-T164 WeakPolarHBondContact OD2-CG2 3.46Å
163C93.2Very high85.9Confident31 Ų3127.1 Ų27.121%0.20916%0.157CC..  trans62.517.3-175.3-62.10000115Y130 Q134 K160 S161Y130-C163 HydrophobicContact CD1-CB 4.15Å; Y130-C163 HydrophobicContact CE1-CB 4.4Å; Q134-C163 PolarHBondContact NE2-O 2.85Å; K160-C163 PolarHBondContact O-N 2.86Å; S161-C163 PolarHBondContact O-N 3.39Å
164T95.4Very high84.4Confident40 Ų4028.9 Ų28.925%0.24516%0.163CC..  trans-71.5139.6168.357.80000110.9V159 K160 D162V159-T164 CarbonylContact C-O 3.58Å; V159-T164 WeakPolarHBondContact CA-O 3.28Å; K160-T164 WeakPolarHBondContact CB-OG1 3.38Å; K160-T164 PolarHBondContact N-O 3.43Å; D162-T164 PolarHBondContact O-N 2.89Å; D162-T164 VanDerWaalsContact OD1-CB 3.29Å; D162-T164 WeakPolarHBondContact OD1-CB 3.43Å; D162-T164 VanDerWaalsContact OD1-CG2 3.23Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.41Å; D162-T164 PolarHBondContact OD1-N 2.92Å; D162-T164 PolarHBondContact OD1-OG1 3.22Å; D162-T164 WeakPolarHBondContact OD2-CG2 3.46Å
165L97.1Very high82.5Confident1 Ų130.7 Ų30.71%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-124.2137.5-176-180152.2000111.3N84 L131 Q134 M135 I157 V158 V159 I167N84-L165 VanDerWaalsContact CA-O 3.26Å; N84-L165 WeakPolarHBondContact CA-O 3.41Å; N84-L165 PolarHBondContact ND2-O 2.81Å; L131-L165 HydrophobicContact CB-CD1 4.27Å; L131-L165 HydrophobicContact CD2-CB 4.16Å; L131-L165 HydrophobicContact CD2-CD1 3.89Å; Q134-L165 HydrophobicContact CB-CB 3.98Å; Q134-L165 HydrophobicContact CB-CD2 4.35Å; M135-L165 HydrophobicContact CG-CD1 3.52Å; M135-L165 HydrophobicContact CG-CD2 3.66Å; M135-L165 HydrophobicContact CG-CG 4.28Å; M135-L165 HydrophobicContact SD-CD1 4.27Å; I157-L165 HydrophobicContact CG2-CD1 3.45Å; I157-L165 VanDerWaalsContact CG2-CD1 3.45Å; I157-L165 HydrophobicContact CG2-CD2 3.93Å; I157-L165 HydrophobicContact CG2-CG 3.59Å; V158-L165 WeakPolarHBondContact O-CA 3.16Å; V159-L165 HydrophobicContact CG1-CB 4.25Å; V159-L165 HydrophobicContact CG1-CD1 4.23Å; V159-L165 HydrophobicContact CG1-CG 4.27Å; L165-I167 HydrophobicContact CD2-CG1 4.26Å
166K96.4Very high80.3Confident21 Ų2130.1 Ų30.19%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-131138.1171.9-75170.3177.6-94.50111.8K83 N84 I85 I86 E109 M111 V158K83-K166 WeakPolarHBondContact O-CE 2.98Å; K83-K166 VanDerWaalsContact O-CG 3.22Å; K83-K166 WeakPolarHBondContact O-CG 3.23Å; K83-K166 PolarHBondContact O-NZ 3.02Å; K83-K166 VanDerWaalsContact O-NZ 3.12Å; N84-K166 WeakPolarHBondContact O-CA 3.41Å; I85-K166 PolarHBondContact O-NZ 3.33Å; I85-K166 VanDerWaalsContact O-NZ 3.17Å; I86-K166 HydrophobicContact CD1-CD 4.15Å; E109-K166 WeakPolarHBondContact OE2-CD 3.46Å; E109-K166 WeakPolarHBondContact OE2-CE 3.48Å; E109-K166 IonicContact OE2-NZ 2.86Å; E109-K166 PolarHBondContact OE2-NZ 3.3Å; M111-K166 HydrophobicContact CE-CB 4.17Å; M111-K166 HydrophobicContact CE-CD 4.1Å; M111-K166 HydrophobicContact CE-CG 4.25Å; M111-K166 HydrophobicContact SD-CD 3.96Å; V158-K166 HydrophobicContact CG2-CB 4.13Å; V158-K166 VanDerWaalsContact CG2-O 3.32Å; V158-K166 WeakPolarHBondContact CG2-O 3.47Å; V158-K166 PolarHBondContact N-O 2.84Å; V158-K166 PolarHBondContact O-N 3.02Å
167I95.2Very high77.6Confident1 Ų134.8 Ų34.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-84.8136.5174.2-58.8172000109.8N84 I86 I139 L152 L165N84-I167 PolarHBondContact O-N 3Å; I86-I167 WeakPolarHBondContact CG2-O 3.4Å; I86-I167 PolarHBondContact N-O 3.15Å; I139-I167 HydrophobicContact CG1-CD1 3.97Å; L152-I167 HydrophobicContact CD2-CD1 4.42Å; L152-I167 HydrophobicContact CD2-CG2 3.83Å; L165-I167 HydrophobicContact CD2-CG1 4.26Å
168L88.4Confident74.9Confident41 Ų4136.1 Ų36.122%0.21521%0.213CC..  trans-108.7168.9177.2-56.6-177.9000112.5I86 H149 N156 V158I86-L168 HydrophobicContact CB-CD2 3.62Å; I86-L168 HydrophobicContact CD1-CD2 4.25Å; I86-L168 HydrophobicContact CG1-CD2 3.75Å; I86-L168 HydrophobicContact CG2-CD2 3.71Å; H149-L168 PolarHBondContact NE2-O 2.92Å; N156-L168 WeakPolarHBondContact O-CB 3.35Å; N156-L168 PolarHBondContact O-N 2.79Å; V158-L168 HydrophobicContact CB-CD1 4.44Å; V158-L168 HydrophobicContact CG1-CD1 3.52Å; V158-L168 HydrophobicContact CG1-CG 4.15Å; V158-L168 HydrophobicContact CG2-CD1 4.1Å; V158-L168 HydrophobicContact CG2-CD2 3.71Å; V158-L168 HydrophobicContact CG2-CG 3.8Å
169D74.4Confident72.4Confident12 Ų1241.3 Ų41.36%0.06424%0.241CC..  trans59.280.2160.8-17821.3000116.1Q37 R69 H149 N156 G171Q37-D169 PolarHBondContact NE2-OD2 2.96Å; Q37-D169 PolarHBondContact OE1-OD1 2.84Å; Q37-D169 PolarHBondContact OE1-OD2 2.86Å; R69-D169 IonicContact CZ-OD1 3.07Å; R69-D169 IonicContact NH2-OD1 2.86Å; R69-D169 PolarHBondContact NH2-OD1 2.94Å; R69-D169 IonicContact NH2-OD2 3.29Å; R69-D169 PolarHBondContact NH2-OD2 2.77Å; H149-D169 PolarHBondContact NE2-O 3.25Å; N156-D169 PolarHBondContact ND2-OD2 3.11Å; N156-D169 VanDerWaalsContact ND2-OD2 3.08Å; D169-G171 PolarHBondContact O-N 3.25Å; D169-G171 WeakPolarHBondContact OD1-CA 2.9Å; D169-G171 PolarHBondContact OD1-N 3.41Å
170F67.4Low69.5Low0 Ų047 Ų470%027%0.265CS..G310 helixtrans-7910.2169-49.7-67.3000113.5R72 L76 L77 I85 I86 L142 L172 A173R72-F170 PolarHBondContact NE-O 3.13Å; L76-F170 HydrophobicContact CB-CB 4.07Å; L76-F170 HydrophobicContact CB-CD2 4.27Å; L76-F170 HydrophobicContact CB-CG 4.24Å; L76-F170 HydrophobicContact CD1-CB 3.52Å; L76-F170 HydrophobicContact CD1-CG 4.26Å; L76-F170 HydrophobicContact CG-CB 4.45Å; L77-F170 HydrophobicContact CD2-CD2 4.08Å; L77-F170 HydrophobicContact CD2-CE2 3.81Å; L77-F170 HydrophobicContact CG-CD2 4.23Å; L77-F170 HydrophobicContact CG-CE2 4.45Å; I85-F170 HydrophobicContact CG2-CE2 3.98Å; I85-F170 HydrophobicContact CG2-CZ 3.46Å; I85-F170 VanDerWaalsContact CG2-CZ 3.46Å; I86-F170 HydrophobicContact CG2-CE2 4.48Å; L142-F170 HydrophobicContact CD1-CD1 4.41Å; L142-F170 HydrophobicContact CD1-CE1 3.76Å; L142-F170 HydrophobicContact CD2-CD1 4.08Å; L142-F170 HydrophobicContact CD2-CE1 3.59Å; L142-F170 HydrophobicContact CD2-CZ 4.29Å; L142-F170 HydrophobicContact CG-CE1 4.29Å; F170-L172 PolarHBondContact O-N 2.95Å; F170-A173 HydrophobicContact CB-CB 3.99Å; F170-A173 HydrophobicContact CD1-CB 4.32Å; F170-A173 WeakPolarHBondContact O-CB 3.47Å; F170-A173 PolarHBondContact O-N 3.29Å
171G56.2Low66.9Low1 Ų150.3 Ų50.31%0.0128%0.283CS..G310 helixtrans-66.4-7.3-175.400000114.2R69 R72 D169R69-G171 WeakPolarHBondContact CD-O 3.46Å; R69-G171 VanDerWaalsContact CG-O 3.3Å; R69-G171 WeakPolarHBondContact CG-O 3.2Å; R69-G171 PolarHBondContact NE-O 2.95Å; R72-G171 PolarHBondContact NH2-O 3.28Å; D169-G171 PolarHBondContact O-N 3.25Å; D169-G171 WeakPolarHBondContact OD1-CA 2.9Å; D169-G171 PolarHBondContact OD1-N 3.41Å
172L60.8Low64.7Low33 Ų3347.2 Ų47.217%0.17326%0.257CS..G310 helixtrans-119-3.7168-68.1175.9000114.3R72 R150 D151 F170 R174 M182R72-L172 PolarHBondContact NH1-O 2.84Å; R72-L172 VanDerWaalsContact NH2-N 3.18Å; R150-L172 PolarHBondContact NE-O 3.45Å; R150-L172 PolarHBondContact NH2-O 2.88Å; D151-L172 HydrophobicContact CB-CB 4Å; D151-L172 HydrophobicContact CB-CD1 3.65Å; D151-L172 HydrophobicContact CB-CG 4.41Å; F170-L172 PolarHBondContact O-N 2.95Å; L172-R174 PolarHBondContact O-N 2.93Å; L172-M182 HydrophobicContact CB-CE 4.23Å; L172-M182 HydrophobicContact CD1-CE 4.18Å
173A56.6Low62Low1 Ų146.8 Ų46.81%0.00826%0.258CS..  trans-76.4116.2-168.400000114.3R72 L76 I147 I148 H149 F170R72-A173 WeakPolarHBondContact CD-O 3.3Å; R72-A173 PolarHBondContact NE-O 3.07Å; R72-A173 PolarHBondContact NH1-O 2.7Å; L76-A173 HydrophobicContact CD1-CB 4.38Å; I147-A173 HydrophobicContact CG2-CB 3.64Å; I148-A173 CarbonylContact O-C 3.29Å; I148-A173 VanDerWaalsContact O-C 3.29Å; I148-A173 WeakPolarHBondContact O-CA 3.09Å; I148-A173 WeakPolarHBondContact O-CB 3.5Å; H149-A173 WeakPolarHBondContact O-CA 3.16Å; F170-A173 HydrophobicContact CB-CB 3.99Å; F170-A173 HydrophobicContact CD1-CB 4.32Å; F170-A173 WeakPolarHBondContact O-CB 3.47Å; F170-A173 PolarHBondContact O-N 3.29Å
174R60.3Low59.1Low53 Ų5350.1 Ų50.120%0.228%0.279CS..EExtended strand (participates in β ladder)trans-104158.5-172.7-65.7-78.6-169.6-113.4-2.3113.5I148 L172 E343I148-R174 PolarHBondContact N-O 3.07Å; I148-R174 PolarHBondContact O-N 3.48Å; L172-R174 PolarHBondContact O-N 2.93Å; R174-E343 WeakPolarHBondContact CA-OE1 3.44Å; R174-E343 VanDerWaalsContact CB-OE1 3.28Å; R174-E343 WeakPolarHBondContact CB-OE1 3.43Å; R174-E343 WeakPolarHBondContact CD-OE1 3.4Å
175T52.9Low56.3Low41 Ų4156.7 Ų56.725%0.25230%0.301SS..EExtended strand (participates in β ladder)trans-67.9140.6166.4-50.40000109.3G146 C177 T178 E343G146-T175 CarbonylContact O-C 3.54Å; G146-T175 WeakPolarHBondContact O-CA 3.26Å; T175-C177 PolarHBondContact O-N 3.23Å; T175-T178 PolarHBondContact O-N 3.03Å; T175-T178 PolarHBondContact O-OG1 3.25Å; T175-E343 WeakPolarHBondContact CA-OE2 3.44Å; T175-E343 VanDerWaalsContact CB-OE2 3.31Å; T175-E343 WeakPolarHBondContact CB-OE2 3.42Å; T175-E343 PolarHBondContact N-OE1 3.39Å; T175-E343 PolarHBondContact N-OE2 2.96Å; T175-E343 WeakPolarHBondContact OG1-CG 3.27Å
176A41.8Very low53.7Low38 Ų3863.5 Ų63.531%0.31434%0.342SS..THydrogen-bonded Turntrans-54.1-17.6-176.300000115.2G146 I148G146-A176 PolarHBondContact O-N 2.99Å; I148-A176 HydrophobicContact CD1-CB 3.85Å; I148-A176 HydrophobicContact CG1-CB 4.27Å
177C33.8Very low52Low112 Ų11265.1 Ų65.176%0.75735%0.354SS*.THydrogen-bonded Turntrans-85.2-6.2-177.3-59.70000115.4T175T175-C177 PolarHBondContact O-N 3.23Å
178T38.5Very low50.8Low29 Ų2968 Ų6818%0.17837%0.372CS..  trans-104.2112.2-173.662.60000113.6T175 F180 Y202 E343T175-T178 PolarHBondContact O-N 3.03Å; T175-T178 PolarHBondContact O-OG1 3.25Å; T178-F180 PolarHBondContact O-N 3.41Å; T178-Y202 PolarHBondContact O-OH 3.01Å; T178-E343 WeakPolarHBondContact CB-OE2 3.49Å; T178-E343 HydrophobicContact CG2-CB 3.89Å; T178-E343 HydrophobicContact CG2-CG 4.48Å; T178-E343 WeakPolarHBondContact CG2-OE2 3.12Å; T178-E343 PolarHBondContact OG1-OE2 3.21Å
179N39.9Very low50.7Low128 Ų12867.6 Ų67.668%0.68437%0.367SS*.  trans-79.838.7177.2-81.4-21.3000113.7
180F36Very low51.6Low126 Ų12669.7 Ų69.755%0.55337%0.374SS*.PPolyproline II helixtrans-85.2123.2-172.5-158.9-90.5000112.8T178T178-F180 PolarHBondContact O-N 3.41Å
181M38.8Very low52.9Low141 Ų14170.5 Ų70.570%0.69538%0.378SS*.PPolyproline II helixtrans-63.6134.9174.7-67.4-173.9-7500111.4
182M42.8Very low54.6Low43 Ų4371.1 Ų71.121%0.21238%0.38CS..PPolyproline II helixtrans-67.5139.6174.4-79.3-166.9165.300111.1R150 L172 V196R150-M182 HydrophobicContact CB-CE 4.04Å; L172-M182 HydrophobicContact CB-CE 4.23Å; L172-M182 HydrophobicContact CD1-CE 4.18Å; M182-V196 HydrophobicContact CG-CG1 4.45Å; M182-V196 HydrophobicContact SD-CG1 3.99Å
183T36.4Very low56.3Low89 Ų8969.6 Ų69.655%0.54637%0.372SS..PPolyproline II helixtrans-68.8136.117042.10000110.3Y185T183-Y185 PolarHBondContact O-N 3.44Å
184P32Very low58.1Low102 Ų10269.5 Ų69.566%0.66237%0.371SS*.  trans-74.896.417729-31.5000109.2
185Y35.5Very low59.6Low178 Ų17867 Ų6770%0.69836%0.362SS*.  trans-121.2152.1164.6-92.6-88.6000109.6T183 V187T183-Y185 PolarHBondContact O-N 3.44Å; Y185-V187 PolarHBondContact O-N 3.02Å
186V42.8Very low61.4Low144 Ų14466.1 Ų66.187%0.87336%0.357SS*.SBendtrans-62.980.7-178.1-173.20000110.2
187V61.5Low63.6Low55 Ų5565.3 Ų65.333%0.33335%0.347SS..  trans-127.8147.5176.5-175.70000107.4Y185 R189Y185-V187 PolarHBondContact O-N 3.02Å; V187-R189 PolarHBondContact O-N 2.82Å
188T69.9Low66.3Low62 Ų6260.7 Ų60.738%0.3831%0.314SS..  trans-50.6111.5174.2-46.90000110.5Y190 Y191T188-Y190 HydrophobicContact CG2-CD2 3.41Å; T188-Y190 VanDerWaalsContact CG2-CD2 3.41Å; T188-Y190 HydrophobicContact CG2-CE2 3.81Å; T188-Y190 HydrophobicContact CG2-CG 3.97Å; T188-Y191 HydrophobicContact CG2-CD2 4.28Å; T188-Y191 HydrophobicContact CG2-CE2 3.92Å
189R85.4Confident68.5Low32 Ų3260.8 Ų60.812%0.12132%0.321CS..  trans-100.3-3.2-175.767-177.465.583.4-2114V187 Y191 R192 G227 T228 D229 Q233V187-R189 PolarHBondContact O-N 2.82Å; R189-Y191 PolarHBondContact O-N 3.3Å; R189-Y191 VanDerWaalsContact O-N 3.1Å; R189-R192 WeakPolarHBondContact O-CB 3.38Å; R189-R192 PolarHBondContact O-N 2.88Å; R189-G227 PolarHBondContact NH1-O 3.44Å; R189-T228 PolarHBondContact NH1-O 3.34Å; R189-D229 WeakPolarHBondContact CD-O 3.35Å; R189-Q233 HydrophobicContact CG-CB 4.34Å; R189-Q233 HydrophobicContact CG-CG 4.18Å
190Y93.9Very high70.8Confident55 Ų5556 Ų5622%0.21630%0.295CS..THydrogen-bonded Turntrans-60.9-25-168.5-50.3-32.2000114.3T188 V223 F225 Q226 G227T188-Y190 HydrophobicContact CG2-CD2 3.41Å; T188-Y190 VanDerWaalsContact CG2-CD2 3.41Å; T188-Y190 HydrophobicContact CG2-CE2 3.81Å; T188-Y190 HydrophobicContact CG2-CG 3.97Å; Y190-V223 HydrophobicContact CD2-CB 4.5Å; Y190-V223 HydrophobicContact CD2-CG1 3.68Å; Y190-V223 HydrophobicContact CD2-CG2 4.11Å; Y190-V223 HydrophobicContact CG-CG1 3.7Å; Y190-F225 WeakPolarHBondContact CA-O 3.13Å; Y190-F225 WeakPolarHBondContact CB-O 3.49Å; Y190-F225 WeakPolarHBondContact CD1-O 3.49Å; Y190-Q226 HydrophobicContact CD1-CG 4.39Å; Y190-Q226 HydrophobicContact CE1-CB 4.44Å; Y190-Q226 HydrophobicContact CE1-CG 3.8Å; Y190-Q226 HydrophobicContact CE2-CG 4.09Å; Y190-G227 WeakPolarHBondContact CE1-O 3.25Å
191Y94.9Very high73.1Confident17 Ų1752.1 Ų52.17%0.06729%0.291CS..THydrogen-bonded Turntrans-103.22.3-178-48-85.9000113.1L152 K153 P154 T188 R189 S210 C213 I214 E217L152-Y191 WeakPolarHBondContact O-CB 3.43Å; K153-Y191 HydrophobicContact CB-CD2 3.45Å; K153-Y191 VanDerWaalsContact CB-CD2 3.45Å; K153-Y191 HydrophobicContact CB-CE2 3.86Å; K153-Y191 HydrophobicContact CB-CG 3.99Å; P154-Y191 VanDerWaalsContact CD-CE1 3.43Å; P154-Y191 WeakPolarHBondContact CD-OH 3.29Å; P154-Y191 HydrophobicContact CG-CE1 3.82Å; P154-Y191 HydrophobicContact CG-CE2 4.44Å; P154-Y191 WeakPolarHBondContact CG-OH 3.31Å; T188-Y191 HydrophobicContact CG2-CD2 4.28Å; T188-Y191 HydrophobicContact CG2-CE2 3.92Å; R189-Y191 PolarHBondContact O-N 3.3Å; R189-Y191 VanDerWaalsContact O-N 3.1Å; Y191-S210 WeakPolarHBondContact O-CA 3.45Å; Y191-S210 WeakPolarHBondContact O-CB 3.5Å; Y191-S210 PolarHBondContact O-OG 2.97Å; Y191-C213 HydrophobicContact CD1-CB 3.65Å; Y191-C213 HydrophobicContact CE1-CB 4.38Å; Y191-C213 HydrophobicContact CG-CB 4.5Å; Y191-I214 HydrophobicContact CD1-CG1 3.91Å; Y191-I214 HydrophobicContact CE1-CG1 4.13Å; Y191-E217 WeakPolarHBondContact CE1-OE2 3.31Å; Y191-E217 PolarHBondContact OH-OE1 3.49Å; Y191-E217 PolarHBondContact OH-OE2 2.75Å
192R92.9Very high75.4Confident14 Ų1446.5 Ų46.55%0.05326%0.262CS..  trans-77.4136.8180-67.2-176.3178.8177.9-0.2110.4D151 R189 V196 I197 W209D151-R192 IonicContact OD1-NH2 3.36Å; R189-R192 WeakPolarHBondContact O-CB 3.38Å; R189-R192 PolarHBondContact O-N 2.88Å; R192-V196 HydrophobicContact CB-CG1 4.47Å; R192-I197 HydrophobicContact CB-CD1 4.29Å; R192-I197 HydrophobicContact CB-CG1 4.04Å; R192-I197 WeakPolarHBondContact O-CD1 2.78Å; R192-W209 PolarHBondContact O-NE1 3.05Å
193A94.8Very high77.7Confident1 Ų149.8 Ų49.81%0.00828%0.276CS..  trans-67.2153.717800000112.6E195 V196 I197 V206 W209A193-E195 VanDerWaalsContact C-N 3.28Å; A193-E195 VanDerWaalsContact CB-CD 3.43Å; A193-E195 HydrophobicContact CB-CG 4.17Å; A193-E195 WeakPolarHBondContact CB-OE1 3.2Å; A193-E195 WeakPolarHBondContact CB-OE2 3.5Å; A193-E195 PolarHBondContact O-N 3.22Å; A193-V196 HydrophobicContact CB-CG2 4.37Å; A193-V196 WeakPolarHBondContact O-CB 3.31Å; A193-V196 PolarHBondContact O-N 2.77Å; A193-I197 PolarHBondContact O-N 3.4Å; A193-V206 HydrophobicContact CB-CG2 3.53Å; A193-W209 HydrophobicContact CB-CB 3.72Å; A193-W209 HydrophobicContact CB-CD2 4.46Å; A193-W209 HydrophobicContact CB-CG 3.74Å
194P94.5Very high80.2Confident0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-50.3-45175.9-33.840.8000113.9V196 I197 L198 W209 W234 V237 V304P194-V196 PolarHBondContact O-N 3.41Å; P194-I197 PolarHBondContact O-N 2.92Å; P194-I197 VanDerWaalsContact O-N 3.14Å; P194-L198 VanDerWaalsContact O-CB 3.28Å; P194-L198 WeakPolarHBondContact O-CB 3.49Å; P194-L198 VanDerWaalsContact O-CG 3.26Å; P194-L198 WeakPolarHBondContact O-CG 3.5Å; P194-L198 PolarHBondContact O-N 3.39Å; P194-W209 HydrophobicContact CG-CD2 4.4Å; P194-W209 HydrophobicContact CG-CE3 4.21Å; P194-W209 HydrophobicContact CG-CH2 3.77Å; P194-W209 HydrophobicContact CG-CZ2 3.99Å; P194-W209 HydrophobicContact CG-CZ3 3.89Å; P194-W234 HydrophobicContact CB-CZ3 3.93Å; P194-W234 HydrophobicContact CG-CZ3 4.39Å; P194-V237 HydrophobicContact CG-CG1 4.5Å; P194-V304 HydrophobicContact CB-CG1 4.11Å; P194-V304 HydrophobicContact CG-CB 4.46Å; P194-V304 HydrophobicContact CG-CG1 4.12Å; P194-V304 HydrophobicContact CG-CG2 4.47Å
195E93.1Very high83.3Confident0 Ų045.8 Ų45.80%024%0.242CC..Hα-helixtrans-61.3-32.1178.758.7-88.5-154.400112.8A193 G199 M200 V206 R309A193-E195 VanDerWaalsContact C-N 3.28Å; A193-E195 VanDerWaalsContact CB-CD 3.43Å; A193-E195 HydrophobicContact CB-CG 4.17Å; A193-E195 WeakPolarHBondContact CB-OE1 3.2Å; A193-E195 WeakPolarHBondContact CB-OE2 3.5Å; A193-E195 PolarHBondContact O-N 3.22Å; E195-G199 PolarHBondContact O-N 3.49Å; E195-G199 VanDerWaalsContact O-N 3.16Å; E195-M200 HydrophobicContact CB-CB 3.87Å; E195-M200 HydrophobicContact CB-CG 4.46Å; E195-M200 HydrophobicContact CB-SD 4.06Å; E195-M200 PolarHBondContact O-N 3.45Å; E195-V206 HydrophobicContact CG-CG2 4.21Å; E195-R309 IonicContact OE1-CZ 2.88Å; E195-R309 IonicContact OE1-NH1 2.81Å; E195-R309 PolarHBondContact OE1-NH1 2.68Å; E195-R309 IonicContact OE1-NH2 3.7Å; E195-R309 PolarHBondContact OE1-NH2 3.14Å; E195-R309 IonicContact OE2-CZ 3.73Å; E195-R309 IonicContact OE2-NH1 3.46Å; E195-R309 IonicContact OE2-NH2 2.7Å; E195-R309 PolarHBondContact OE2-NH2 2.74Å
196V89.7Confident86.1Confident23 Ų2337.4 Ų37.414%0.13921%0.21CC..Hα-helixtrans-74.9-40.5175.11800000110.9M182 R192 A193 P194 V206M182-V196 HydrophobicContact CG-CG1 4.45Å; M182-V196 HydrophobicContact SD-CG1 3.99Å; R192-V196 HydrophobicContact CB-CG1 4.47Å; A193-V196 HydrophobicContact CB-CG2 4.37Å; A193-V196 WeakPolarHBondContact O-CB 3.31Å; A193-V196 PolarHBondContact O-N 2.77Å; P194-V196 PolarHBondContact O-N 3.41Å; V196-V206 HydrophobicContact CG2-CG2 3.45Å; V196-V206 VanDerWaalsContact CG2-CG2 3.45Å
197I89Confident88.7Confident20 Ų2030.5 Ų30.510%0.10317%0.168CC..Hα-helixtrans-68.7-38.5179.6-64.9160.5000111.1R192 A193 P194 H230 Q233R192-I197 HydrophobicContact CB-CD1 4.29Å; R192-I197 HydrophobicContact CB-CG1 4.04Å; R192-I197 WeakPolarHBondContact O-CD1 2.78Å; A193-I197 PolarHBondContact O-N 3.4Å; P194-I197 PolarHBondContact O-N 2.92Å; P194-I197 VanDerWaalsContact O-N 3.14Å; I197-H230 HydrophobicContact CG2-CB 4.35Å; I197-Q233 HydrophobicContact CD1-CB 4.44Å; I197-Q233 HydrophobicContact CD1-CG 3.47Å; I197-Q233 VanDerWaalsContact CD1-CG 3.47Å; I197-Q233 HydrophobicContact CG1-CG 4.38Å
198L89.3Confident90.4Very high15 Ų1527.9 Ų27.98%0.07915%0.152CC..THydrogen-bonded Turntrans-89.5-1-176.7-62.3176.1000113.4P194 M200 W234 F248 L252 V256 V260P194-L198 VanDerWaalsContact O-CB 3.28Å; P194-L198 WeakPolarHBondContact O-CB 3.49Å; P194-L198 VanDerWaalsContact O-CG 3.26Å; P194-L198 WeakPolarHBondContact O-CG 3.5Å; P194-L198 PolarHBondContact O-N 3.39Å; L198-M200 HydrophobicContact CB-CG 4.15Å; L198-M200 HydrophobicContact CB-SD 4.29Å; L198-M200 HydrophobicContact CD1-SD 4.38Å; L198-W234 HydrophobicContact CD1-CD2 4.42Å; L198-W234 HydrophobicContact CD1-CE3 4.05Å; L198-W234 HydrophobicContact CD1-CH2 3.97Å; L198-W234 HydrophobicContact CD1-CZ2 4.34Å; L198-W234 HydrophobicContact CD1-CZ3 3.85Å; L198-W234 HydrophobicContact CD2-CD2 4.15Å; L198-W234 HydrophobicContact CD2-CE3 4.35Å; L198-W234 HydrophobicContact CD2-CG 4.37Å; L198-W234 HydrophobicContact CG-CE3 4.36Å; L198-F248 HydrophobicContact CD1-CE1 4.07Å; L198-F248 HydrophobicContact CD1-CZ 3.92Å; L198-L252 HydrophobicContact CB-CD2 4.19Å; L198-L252 HydrophobicContact CD1-CD2 3.87Å; L198-V256 HydrophobicContact CB-CG1 4.09Å; L198-V256 HydrophobicContact CD2-CG1 3.83Å; L198-V256 HydrophobicContact CG-CG1 4.49Å; L198-V260 HydrophobicContact CD2-CG2 3.98Å
199G85.9Confident91.8Very high32 Ų3225 Ų2533%0.3313%0.134SC..THydrogen-bonded Turntrans67.433.9178.100000113.9E195E195-G199 PolarHBondContact O-N 3.49Å; E195-G199 VanDerWaalsContact O-N 3.16Å
200M88.6Confident92.4Very high26 Ų2623.5 Ų23.513%0.12813%0.129CC..  trans-84.6166173.8-56.2168.468.800110.5E195 L198 F248 K251 L252E195-M200 HydrophobicContact CB-CB 3.87Å; E195-M200 HydrophobicContact CB-CG 4.46Å; E195-M200 HydrophobicContact CB-SD 4.06Å; E195-M200 PolarHBondContact O-N 3.45Å; L198-M200 HydrophobicContact CB-CG 4.15Å; L198-M200 HydrophobicContact CB-SD 4.29Å; L198-M200 HydrophobicContact CD1-SD 4.38Å; M200-F248 HydrophobicContact CE-CD2 4.38Å; M200-F248 HydrophobicContact CE-CE2 3.83Å; M200-F248 HydrophobicContact CE-CZ 4.19Å; M200-F248 HydrophobicContact SD-CE2 3.92Å; M200-F248 HydrophobicContact SD-CZ 3.75Å; M200-K251 HydrophobicContact CE-CB 3.8Å; M200-L252 HydrophobicContact CE-CD2 4.06Å; M200-L252 HydrophobicContact CG-CD2 3.68Å; M200-L252 HydrophobicContact SD-CD2 3.36Å; M200-L252 WeakPolarHBondContact SD-CD2 3.36Å
201G84Confident92.6Very high46 Ų4620.9 Ų20.947%0.47412%0.119SC..  trans-63.7148161.500000110.6
202Y86.9Confident92.7Very high22 Ų2220.1 Ų20.19%0.08612%0.116CC..  trans-130.3161.1-17855.4-99.8000111.1I148 R150 T178I148-Y202 HydrophobicContact CD1-CD2 4.12Å; I148-Y202 HydrophobicContact CD1-CE2 4.14Å; R150-Y202 HydrophobicContact CG-CE2 4.49Å; R150-Y202 PolarHBondContact NH1-OH 2.65Å; T178-Y202 PolarHBondContact O-OH 3.01Å
203K89.7Confident93Very high113 Ų11319.6 Ų19.649%0.49111%0.114SC..  trans-124.3-177.5176.1-61.7174.4-175.9164.90109.3N205 V206 D307K203-N205 PolarHBondContact O-N 3.33Å; K203-V206 WeakPolarHBondContact O-CB 3.33Å; K203-V206 VanDerWaalsContact O-CG1 3.25Å; K203-V206 WeakPolarHBondContact O-CG1 3.45Å; K203-V206 PolarHBondContact O-N 2.93Å; K203-V206 VanDerWaalsContact O-N 3.09Å; K203-D307 IonicContact NZ-OD1 2.77Å; K203-D307 PolarHBondContact NZ-OD1 3.11Å
204E90.6Very high93.1Very high86 Ų8619.5 Ų19.540%0.40211%0.114SC..THydrogen-bonded Turntrans-56.6-34.8-177.8-64.5111.3154.200113.6H143 I148 V206 D207H143-E204 HydrophobicContact CB-CB 4.42Å; H143-E204 HydrophobicContact CB-CG 4.09Å; H143-E204 PolarHBondContact CE1-O 2.97Å; H143-E204 WeakPolarHBondContact ND1-CB 3.49Å; H143-E204 PolarHBondContact NE2-O 3.32Å; I148-E204 HydrophobicContact CD1-CG 4.27Å; I148-E204 HydrophobicContact CG1-CG 4.23Å; E204-V206 PolarHBondContact O-N 2.93Å; E204-D207 PolarHBondContact O-N 3.21Å
205N95.3Very high93.3Very high20 Ų2019.5 Ų19.511%0.10711%0.114CC..THydrogen-bonded Turntrans-70.15.5179.474.1-15.3000114.8K203 D207 I208 P306 R309K203-N205 PolarHBondContact O-N 3.33Å; N205-D207 PolarHBondContact O-N 3.22Å; N205-I208 HydrophobicContact CB-CB 4.45Å; N205-I208 HydrophobicContact CB-CG1 4.36Å; N205-I208 WeakPolarHBondContact O-CB 3.29Å; N205-I208 PolarHBondContact O-N 3.01Å; N205-P306 PolarHBondContact ND2-O 3.27Å; N205-R309 PolarHBondContact ND2-O 3.35Å; N205-R309 WeakPolarHBondContact O-CD 3.27Å; N205-R309 PolarHBondContact O-NH1 3.4Å
206V95.4Very high93.5Very high2 Ų219.5 Ų19.51%0.01211%0.114CC..Hα-helixtrans-59.5-36.2163.573.40000111.4I148 R150 A193 E195 V196 K203 E204 I208 W209I148-V206 HydrophobicContact CG2-CG1 3.25Å; R150-V206 HydrophobicContact CG-CG1 4.22Å; A193-V206 HydrophobicContact CB-CG2 3.53Å; E195-V206 HydrophobicContact CG-CG2 4.21Å; V196-V206 HydrophobicContact CG2-CG2 3.45Å; V196-V206 VanDerWaalsContact CG2-CG2 3.45Å; K203-V206 WeakPolarHBondContact O-CB 3.33Å; K203-V206 VanDerWaalsContact O-CG1 3.25Å; K203-V206 WeakPolarHBondContact O-CG1 3.45Å; K203-V206 PolarHBondContact O-N 2.93Å; K203-V206 VanDerWaalsContact O-N 3.09Å; E204-V206 PolarHBondContact O-N 2.93Å; V206-I208 VanDerWaalsContact C-N 3.29Å; V206-I208 PolarHBondContact O-N 2.95Å; V206-W209 WeakPolarHBondContact O-CB 3.21Å; V206-W209 PolarHBondContact O-N 3.29Å
207D96.6Very high93.8Very high0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-72.1-25.8179.6-71.3-33.7000111.7I139 H143 I148 H149 R150 L152 E204 N205 W209 S210 V211I139-D207 HydrophobicContact CD1-CB 4.49Å; I139-D207 HydrophobicContact CG2-CB 4.01Å; H143-D207 IonicContact CD2-OD2 3.16Å; H143-D207 IonicContact CE1-OD2 2.7Å; H143-D207 IonicContact NE2-OD2 2.65Å; H143-D207 PolarHBondContact NE2-OD2 2.91Å; I148-D207 WeakPolarHBondContact CG2-OD2 3.47Å; H149-D207 PolarHBondContact N-OD2 3.31Å; R150-D207 PolarHBondContact N-OD1 2.81Å; L152-D207 HydrophobicContact CD1-CB 3.76Å; E204-D207 PolarHBondContact O-N 3.21Å; N205-D207 PolarHBondContact O-N 3.22Å; D207-W209 VanDerWaalsContact C-N 3.32Å; D207-W209 PolarHBondContact O-N 3Å; D207-S210 WeakPolarHBondContact O-CB 3.44Å; D207-S210 PolarHBondContact O-N 3.41Å; D207-V211 WeakPolarHBondContact O-CG2 3.41Å; D207-V211 PolarHBondContact O-N 3.23Å
208I98.5Very high94.1Very high0 Ų018.9 Ų18.90%011%0.109CC..Hα-helixtrans-65.5-34.9175.1-70.4-68.3000111.9L136 N205 V206 S210 V211 G212 M301 R309 I310 V312 A315L136-I208 HydrophobicContact CD2-CD1 3.49Å; L136-I208 VanDerWaalsContact CD2-CD1 3.49Å; N205-I208 HydrophobicContact CB-CB 4.45Å; N205-I208 HydrophobicContact CB-CG1 4.36Å; N205-I208 WeakPolarHBondContact O-CB 3.29Å; N205-I208 PolarHBondContact O-N 3.01Å; V206-I208 VanDerWaalsContact C-N 3.29Å; V206-I208 PolarHBondContact O-N 2.95Å; I208-S210 VanDerWaalsContact C-N 3.32Å; I208-S210 PolarHBondContact O-N 3.05Å; I208-V211 PolarHBondContact O-N 3.3Å; I208-G212 PolarHBondContact O-N 2.75Å; I208-M301 HydrophobicContact CG2-CB 3.95Å; I208-M301 HydrophobicContact CG2-CG 3.78Å; I208-R309 HydrophobicContact CG2-CG 4.04Å; I208-I310 HydrophobicContact CG2-CG2 3.73Å; I208-V312 HydrophobicContact CD1-CB 4.4Å; I208-V312 HydrophobicContact CD1-CG2 3.83Å; I208-V312 HydrophobicContact CG1-CG2 3.86Å; I208-A315 HydrophobicContact CD1-CB 4.24Å
209W98.3Very high94.3Very high0 Ų018.7 Ų18.70%011%0.109CC..Hα-helixtrans-60.3-46.1172.9174.6-85.1000111.1R192 A193 P194 V206 D207 V211 G212 C213 F225 V237 L241 L302 V304R192-W209 PolarHBondContact O-NE1 3.05Å; A193-W209 HydrophobicContact CB-CB 3.72Å; A193-W209 HydrophobicContact CB-CD2 4.46Å; A193-W209 HydrophobicContact CB-CG 3.74Å; P194-W209 HydrophobicContact CG-CD2 4.4Å; P194-W209 HydrophobicContact CG-CE3 4.21Å; P194-W209 HydrophobicContact CG-CH2 3.77Å; P194-W209 HydrophobicContact CG-CZ2 3.99Å; P194-W209 HydrophobicContact CG-CZ3 3.89Å; V206-W209 WeakPolarHBondContact O-CB 3.21Å; V206-W209 PolarHBondContact O-N 3.29Å; D207-W209 VanDerWaalsContact C-N 3.32Å; D207-W209 PolarHBondContact O-N 3Å; W209-V211 VanDerWaalsContact C-N 3.32Å; W209-V211 PolarHBondContact O-N 2.9Å; W209-G212 PolarHBondContact O-N 3.35Å; W209-G212 VanDerWaalsContact O-N 3.12Å; W209-C213 PolarHBondContact NE1-SG 3.42Å; W209-C213 VanDerWaalsContact NE1-SG 3.39Å; W209-C213 PolarHBondContact O-N 3.49Å; W209-F225 HydrophobicContact CH2-CE2 4.17Å; W209-F225 HydrophobicContact CH2-CZ 4.41Å; W209-F225 HydrophobicContact CZ2-CD2 4.03Å; W209-F225 AromaticContact CZ2-CE2 3.7Å; W209-F225 HydrophobicContact CZ2-CE2 3.7Å; W209-F225 HydrophobicContact CZ2-CZ 4.34Å; W209-V237 HydrophobicContact CH2-CG1 3.77Å; W209-V237 HydrophobicContact CH2-CG2 4.33Å; W209-V237 HydrophobicContact CZ2-CG1 4.2Å; W209-V237 HydrophobicContact CZ2-CG2 3.92Å; W209-L241 HydrophobicContact CH2-CD1 3.56Å; W209-L241 HydrophobicContact CZ3-CD1 3.9Å; W209-L302 HydrophobicContact CE3-CD2 4.48Å; W209-V304 HydrophobicContact CH2-CG2 4.45Å; W209-V304 HydrophobicContact CZ3-CG2 4.39Å
210S97.6Very high94.6Very high2 Ų220.4 Ų20.41%0.01411%0.107CC..Hα-helixtrans-61.3-41.9178.5-55.30000111.6Y191 D207 I208 G212 C213 I214Y191-S210 WeakPolarHBondContact O-CA 3.45Å; Y191-S210 WeakPolarHBondContact O-CB 3.5Å; Y191-S210 PolarHBondContact O-OG 2.97Å; D207-S210 WeakPolarHBondContact O-CB 3.44Å; D207-S210 PolarHBondContact O-N 3.41Å; I208-S210 VanDerWaalsContact C-N 3.32Å; I208-S210 PolarHBondContact O-N 3.05Å; S210-G212 VanDerWaalsContact C-N 3.34Å; S210-G212 PolarHBondContact O-N 3.41Å; S210-C213 PolarHBondContact O-N 3.38Å; S210-I214 WeakPolarHBondContact O-CD1 3.23Å; S210-I214 VanDerWaalsContact O-CG1 3.27Å; S210-I214 WeakPolarHBondContact O-CG1 3.36Å; S210-I214 PolarHBondContact O-N 3.32Å
211V98.4Very high94.8Very high0 Ų020.7 Ų20.70%012%0.116CC..Hα-helixtrans-61-42173175.90000111.3L132 M135 I139 L152 D207 I208 W209 C213 I214 M215 M301L132-V211 HydrophobicContact CD2-CG1 4.12Å; M135-V211 HydrophobicContact CE-CG1 4.04Å; I139-V211 HydrophobicContact CD1-CG2 3.33Å; L152-V211 HydrophobicContact CD1-CG2 4.37Å; D207-V211 WeakPolarHBondContact O-CG2 3.41Å; D207-V211 PolarHBondContact O-N 3.23Å; I208-V211 PolarHBondContact O-N 3.3Å; W209-V211 VanDerWaalsContact C-N 3.32Å; W209-V211 PolarHBondContact O-N 2.9Å; V211-C213 PolarHBondContact O-N 3.06Å; V211-I214 PolarHBondContact O-N 3.23Å; V211-M215 WeakPolarHBondContact O-CB 3.39Å; V211-M215 PolarHBondContact O-N 2.7Å; V211-M301 HydrophobicContact CB-SD 4.47Å; V211-M301 HydrophobicContact CG1-CE 3.92Å; V211-M301 HydrophobicContact CG1-SD 3.92Å
212G98.4Very high95.2Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-61.1-4217500000113I208 W209 S210 M215 G216I208-G212 PolarHBondContact O-N 2.75Å; W209-G212 PolarHBondContact O-N 3.35Å; W209-G212 VanDerWaalsContact O-N 3.12Å; S210-G212 VanDerWaalsContact C-N 3.34Å; S210-G212 PolarHBondContact O-N 3.41Å; G212-M215 PolarHBondContact O-N 3.13Å; G212-G216 PolarHBondContact O-N 3.48Å
213C98.3Very high95.5Very high3 Ų322.2 Ų22.22%0.0212%0.121CC..Hα-helixtrans-63.1-43.5174.3-70.10000111.8Y191 W209 S210 V211 E217 I224Y191-C213 HydrophobicContact CD1-CB 3.65Å; Y191-C213 HydrophobicContact CE1-CB 4.38Å; Y191-C213 HydrophobicContact CG-CB 4.5Å; W209-C213 PolarHBondContact NE1-SG 3.42Å; W209-C213 VanDerWaalsContact NE1-SG 3.39Å; W209-C213 PolarHBondContact O-N 3.49Å; S210-C213 PolarHBondContact O-N 3.38Å; V211-C213 PolarHBondContact O-N 3.06Å; C213-E217 WeakPolarHBondContact O-CB 3.47Å; C213-E217 PolarHBondContact O-N 3.15Å; C213-I224 WeakPolarHBondContact O-CD1 2.87Å
214I97.7Very high95.8Very high0 Ų017.4 Ų17.40%010%0.1CC..Hα-helixtrans-63.3-46.6176.7-69.8161.1000110.4L115 M135 P154 I157 Y191 S210 V211 G216 E217 L218L115-I214 HydrophobicContact CD2-CG2 3.34Å; M135-I214 HydrophobicContact CE-CG2 4.19Å; M135-I214 HydrophobicContact SD-CD1 4.48Å; M135-I214 HydrophobicContact SD-CG2 4.29Å; P154-I214 HydrophobicContact CG-CG1 4.14Å; I157-I214 HydrophobicContact CD1-CD1 3.53Å; Y191-I214 HydrophobicContact CD1-CG1 3.91Å; Y191-I214 HydrophobicContact CE1-CG1 4.13Å; S210-I214 WeakPolarHBondContact O-CD1 3.23Å; S210-I214 VanDerWaalsContact O-CG1 3.27Å; S210-I214 WeakPolarHBondContact O-CG1 3.36Å; S210-I214 PolarHBondContact O-N 3.32Å; V211-I214 PolarHBondContact O-N 3.23Å; I214-G216 PolarHBondContact O-N 3.25Å; I214-E217 PolarHBondContact O-N 3.33Å; I214-L218 HydrophobicContact CG2-CD1 4.11Å; I214-L218 HydrophobicContact CG2-CG 4.43Å; I214-L218 WeakPolarHBondContact O-CG 3.36Å; I214-L218 PolarHBondContact O-N 3.47Å
215M98Very high96.1Very high0 Ų013.3 Ų13.30%08%0.081CC..Hα-helixtrans-59-48.3178.2-176.3177.7176.200111.2L132 V211 G212 E217 L218 V219 A294 L297 L298 M301 Y320L132-M215 HydrophobicContact CD1-CE 3.85Å; L132-M215 HydrophobicContact CD1-CG 3.83Å; L132-M215 HydrophobicContact CD1-SD 3.53Å; L132-M215 VanDerWaalsContact CD1-SD 3.53Å; L132-M215 HydrophobicContact CD2-CB 3.81Å; L132-M215 HydrophobicContact CD2-CG 4.02Å; L132-M215 HydrophobicContact CD2-SD 4.38Å; V211-M215 WeakPolarHBondContact O-CB 3.39Å; V211-M215 PolarHBondContact O-N 2.7Å; G212-M215 PolarHBondContact O-N 3.13Å; M215-E217 VanDerWaalsContact C-N 3.26Å; M215-E217 PolarHBondContact O-N 3.35Å; M215-L218 WeakPolarHBondContact O-CB 3.22Å; M215-L218 PolarHBondContact O-N 3.42Å; M215-V219 WeakPolarHBondContact O-CG2 3.5Å; M215-V219 PolarHBondContact O-N 3.43Å; M215-V219 VanDerWaalsContact O-N 3.13Å; M215-A294 HydrophobicContact CE-CB 3.8Å; M215-A294 VanDerWaalsContact CE-O 3.22Å; M215-A294 WeakPolarHBondContact CE-O 3.31Å; M215-L297 HydrophobicContact CE-CB 4.36Å; M215-L297 HydrophobicContact CE-CD2 4.3Å; M215-L297 HydrophobicContact SD-CD2 4.07Å; M215-L297 HydrophobicContact SD-CG 4.24Å; M215-L298 HydrophobicContact CB-CD2 3.84Å; M215-L298 HydrophobicContact CE-CD1 4.28Å; M215-L298 HydrophobicContact CE-CG 3.9Å; M215-L298 HydrophobicContact CG-CD2 3.73Å; M215-L298 HydrophobicContact CG-CG 4.05Å; M215-L298 HydrophobicContact SD-CD2 3.87Å; M215-L298 HydrophobicContact SD-CG 3.74Å; M215-M301 HydrophobicContact SD-SD 4.46Å; M215-Y320 HydrophobicContact CE-CD1 4.08Å; M215-Y320 HydrophobicContact CE-CE1 3.81Å
216G97.1Very high96Very high0 Ų018 Ų180%010%0.102CC..Hα-helixtrans-70.8-25.7-178.900000112.4G212 I214 V219 K220 I224G212-G216 PolarHBondContact O-N 3.48Å; I214-G216 PolarHBondContact O-N 3.25Å; G216-V219 PolarHBondContact O-N 2.92Å; G216-K220 VanDerWaalsContact O-CB 3.27Å; G216-K220 WeakPolarHBondContact O-CB 3.27Å; G216-K220 WeakPolarHBondContact O-CG 3.45Å; G216-K220 PolarHBondContact O-N 2.87Å; G216-I224 VanDerWaalsContact CA-CD1 3.43Å
217E96.1Very high95.8Very high16 Ų1618 Ų188%0.07510%0.102CC..Hα-helixtrans-72.7-37169.9179.4168-173.800112.5I119 Y191 C213 I214 M215 V219 K220 G221 V223I119-E217 HydrophobicContact CD1-CG 3.77Å; I119-E217 HydrophobicContact CG1-CG 4.11Å; I119-E217 HydrophobicContact CG2-CG 3.62Å; Y191-E217 WeakPolarHBondContact CE1-OE2 3.31Å; Y191-E217 PolarHBondContact OH-OE1 3.49Å; Y191-E217 PolarHBondContact OH-OE2 2.75Å; C213-E217 WeakPolarHBondContact O-CB 3.47Å; C213-E217 PolarHBondContact O-N 3.15Å; I214-E217 PolarHBondContact O-N 3.33Å; M215-E217 VanDerWaalsContact C-N 3.26Å; M215-E217 PolarHBondContact O-N 3.35Å; E217-V219 PolarHBondContact O-N 3.19Å; E217-K220 PolarHBondContact O-N 3.13Å; E217-G221 WeakPolarHBondContact O-CA 3.31Å; E217-G221 PolarHBondContact O-N 3.44Å; E217-V223 WeakPolarHBondContact OE1-CG2 3.44Å
218L95.1Very high95.5Very high13 Ų1323 Ų237%0.06813%0.133CC..Hα-helixtrans-60-31.9171.1-72.4167.3000112.1L115 V118 I119 L123 I214 M215L115-L218 HydrophobicContact CD1-CD2 4.44Å; L115-L218 HydrophobicContact CG-CD2 4.46Å; V118-L218 HydrophobicContact CG1-CD2 4.32Å; I119-L218 HydrophobicContact CG1-CD2 3.64Å; I119-L218 HydrophobicContact CG1-CG 4.16Å; L123-L218 HydrophobicContact CD1-CD2 3.89Å; I214-L218 HydrophobicContact CG2-CD1 4.11Å; I214-L218 HydrophobicContact CG2-CG 4.43Å; I214-L218 WeakPolarHBondContact O-CG 3.36Å; I214-L218 PolarHBondContact O-N 3.47Å; M215-L218 WeakPolarHBondContact O-CB 3.22Å; M215-L218 PolarHBondContact O-N 3.42Å
219V93.8Very high94.9Very high12 Ų1226.5 Ų26.57%0.07315%0.152CC..Hα-helixtrans-85.1-43.5177.6-176.10000111.4M128 M215 G216 E217 I279 F280M128-V219 HydrophobicContact CE-CG2 3.86Å; M128-V219 HydrophobicContact SD-CG2 3.78Å; M215-V219 WeakPolarHBondContact O-CG2 3.5Å; M215-V219 PolarHBondContact O-N 3.43Å; M215-V219 VanDerWaalsContact O-N 3.13Å; G216-V219 PolarHBondContact O-N 2.92Å; E217-V219 PolarHBondContact O-N 3.19Å; V219-I279 HydrophobicContact CB-CD1 4.44Å; V219-I279 HydrophobicContact CG1-CB 4.17Å; V219-I279 HydrophobicContact CG1-CD1 3.47Å; V219-I279 VanDerWaalsContact CG1-CD1 3.47Å; V219-I279 HydrophobicContact CG1-CG1 3.65Å; V219-I279 WeakPolarHBondContact CG1-O 3.18Å; V219-F280 HydrophobicContact CB-CE1 4.28Å; V219-F280 HydrophobicContact CG1-CD1 3.64Å; V219-F280 HydrophobicContact CG1-CD2 4.13Å; V219-F280 HydrophobicContact CG1-CE1 3.55Å; V219-F280 HydrophobicContact CG1-CE2 4.05Å; V219-F280 HydrophobicContact CG1-CG 3.95Å; V219-F280 HydrophobicContact CG1-CZ 3.77Å; V219-F280 HydrophobicContact CG2-CD1 4.07Å; V219-F280 HydrophobicContact CG2-CE1 3.67Å; V219-F280 HydrophobicContact CG2-CZ 4.4Å
220K93Very high94.4Very high68 Ų6829.4 Ų29.430%0.29617%0.165SC..Hα-helixtrans-83.3-17.2-175.5-70-178.168.9158.10114G216 E217 C222 F275 I279G216-K220 VanDerWaalsContact O-CB 3.27Å; G216-K220 WeakPolarHBondContact O-CB 3.27Å; G216-K220 WeakPolarHBondContact O-CG 3.45Å; G216-K220 PolarHBondContact O-N 2.87Å; E217-K220 PolarHBondContact O-N 3.13Å; K220-C222 PolarHBondContact O-N 3.18Å; K220-F275 HydrophobicContact CD-CD1 3.91Å; K220-F275 HydrophobicContact CD-CE1 3.59Å; K220-F275 HydrophobicContact CD-CZ 4.46Å; K220-F275 HydrophobicContact CG-CD1 3.92Å; K220-F275 HydrophobicContact CG-CE1 3.9Å; K220-I279 HydrophobicContact CG-CD1 3.67Å
221G91.7Very high93.9Very high31 Ų3133.2 Ų33.232%0.3219%0.185SC..SBendtrans69.76.2-17200000114.3E217E217-G221 WeakPolarHBondContact O-CA 3.31Å; E217-G221 PolarHBondContact O-N 3.44Å
222C92.1Very high93.6Very high66 Ų6634.7 Ų34.745%0.44619%0.193SC..SBendtrans-148.4155.5-179.370.60000112.6K220 I224K220-C222 PolarHBondContact O-N 3.18Å; C222-I224 PolarHBondContact O-N 3.34Å
223V94.6Very high93.4Very high35 Ų3534.7 Ų34.721%0.21219%0.193CC..  trans-58.5126.2178.5178.10000110.9Y190 E217 Q226Y190-V223 HydrophobicContact CD2-CB 4.5Å; Y190-V223 HydrophobicContact CD2-CG1 3.68Å; Y190-V223 HydrophobicContact CD2-CG2 4.11Å; Y190-V223 HydrophobicContact CG-CG1 3.7Å; E217-V223 WeakPolarHBondContact OE1-CG2 3.44Å; V223-Q226 HydrophobicContact CB-CB 4.48Å; V223-Q226 HydrophobicContact CG1-CB 4.06Å
224I95.4Very high93.2Very high11 Ų1134.6 Ų34.66%0.05619%0.192CC..SBendtrans-73.2-44.2-176.4-44.7174.7000111.7C213 G216 C222 Q240 F275 L302C213-I224 WeakPolarHBondContact O-CD1 2.87Å; G216-I224 VanDerWaalsContact CA-CD1 3.43Å; C222-I224 PolarHBondContact O-N 3.34Å; I224-Q240 PolarHBondContact O-NE2 3.12Å; I224-F275 HydrophobicContact CD1-CE1 4.31Å; I224-F275 HydrophobicContact CD1-CZ 4.06Å; I224-L302 HydrophobicContact CD1-CD1 4.16Å
225F96.1Very high93Very high1 Ų135.9 Ų35.90%0.00420%0.199CC..  trans-121.182.7-175.8-49.1-62.5000110.6Y190 W209 G227 Q233 K236 V237 Q240 L241 L302Y190-F225 WeakPolarHBondContact CA-O 3.13Å; Y190-F225 WeakPolarHBondContact CB-O 3.49Å; Y190-F225 WeakPolarHBondContact CD1-O 3.49Å; W209-F225 HydrophobicContact CH2-CE2 4.17Å; W209-F225 HydrophobicContact CH2-CZ 4.41Å; W209-F225 HydrophobicContact CZ2-CD2 4.03Å; W209-F225 AromaticContact CZ2-CE2 3.7Å; W209-F225 HydrophobicContact CZ2-CE2 3.7Å; W209-F225 HydrophobicContact CZ2-CZ 4.34Å; F225-G227 PolarHBondContact O-N 3.13Å; F225-Q233 PolarHBondContact O-NE2 3.42Å; F225-Q233 PolarHBondContact O-OE1 2.94Å; F225-Q233 VanDerWaalsContact O-OE1 3.08Å; F225-K236 HydrophobicContact CB-CB 4.38Å; F225-V237 HydrophobicContact CB-CG2 4.22Å; F225-V237 HydrophobicContact CD1-CG2 3.96Å; F225-V237 HydrophobicContact CD2-CG2 4.29Å; F225-V237 HydrophobicContact CE1-CG2 4.41Å; F225-V237 HydrophobicContact CG-CG2 3.89Å; F225-Q240 HydrophobicContact CE1-CB 4.11Å; F225-L241 HydrophobicContact CE1-CD1 4.47Å; F225-L241 HydrophobicContact CE1-CG 4.31Å; F225-L241 HydrophobicContact CZ-CD1 3.95Å; F225-L241 HydrophobicContact CZ-CD2 4.47Å; F225-L241 HydrophobicContact CZ-CG 4.15Å; F225-L302 HydrophobicContact CE2-CD2 3.99Å; F225-L302 HydrophobicContact CZ-CD2 4.49Å
226Q94.2Very high92.9Very high118 Ų11839 Ų3955%0.55121%0.212SC*.  trans-94.686.2-177.5-164.6-18018.700111.8Y190 V223Y190-Q226 HydrophobicContact CD1-CG 4.39Å; Y190-Q226 HydrophobicContact CE1-CB 4.44Å; Y190-Q226 HydrophobicContact CE1-CG 3.8Å; Y190-Q226 HydrophobicContact CE2-CG 4.09Å; V223-Q226 HydrophobicContact CB-CB 4.48Å; V223-Q226 HydrophobicContact CG1-CB 4.06Å
227G91.7Very high92.9Very high1 Ų139 Ų391%0.0121%0.212CC..  trans-95.3130.8177.700000114.3R189 Y190 F225 D229 Q233R189-G227 PolarHBondContact NH1-O 3.44Å; Y190-G227 WeakPolarHBondContact CE1-O 3.25Å; F225-G227 PolarHBondContact O-N 3.13Å; G227-D229 VanDerWaalsContact C-N 3.32Å; G227-D229 PolarHBondContact O-N 3.29Å; G227-Q233 VanDerWaalsContact CA-OE1 3.28Å
228T89.3Confident92.9Very high107 Ų10738.4 Ų38.466%0.65621%0.209SC*.SBendtrans-66.4-31177.653.50000113.2R189 D232R189-T228 PolarHBondContact NH1-O 3.34Å; T228-D232 WeakPolarHBondContact CB-OD2 3.44Å; T228-D232 PolarHBondContact N-OD2 3.21Å; T228-D232 WeakPolarHBondContact OG1-CB 3.38Å; T228-D232 PolarHBondContact OG1-OD2 3.47Å
229D87.2Confident92.9Very high72 Ų7241 Ų4139%0.38522%0.222SC..SBendtrans-144.5-171.9172.964.632.1000111.6R189 G227 I231 D232 Q233R189-D229 WeakPolarHBondContact CD-O 3.35Å; G227-D229 VanDerWaalsContact C-N 3.32Å; G227-D229 PolarHBondContact O-N 3.29Å; D229-I231 VanDerWaalsContact C-N 3.3Å; D229-I231 PolarHBondContact O-N 2.77Å; D229-I231 WeakPolarHBondContact OD1-CA 3.45Å; D229-I231 VanDerWaalsContact OD1-CB 3.32Å; D229-I231 WeakPolarHBondContact OD1-CB 3.45Å; D229-I231 PolarHBondContact OD1-N 3.29Å; D229-D232 WeakPolarHBondContact OD1-CB 3.31Å; D229-D232 PolarHBondContact OD1-N 2.97Å; D229-Q233 WeakPolarHBondContact O-CB 3.48Å; D229-Q233 PolarHBondContact O-N 2.88Å
230H86.2Confident93.1Very high61 Ų6142 Ų4228%0.28223%0.225SC..Hα-helixtrans-65.1-32.7179.5-72.8-81.5000113.5I197 W234I197-H230 HydrophobicContact CG2-CB 4.35Å; H230-W234 PolarHBondContact O-N 3.2Å
231I88Confident93.3Very high82 Ų8240.5 Ų40.542%0.42122%0.22SC..Hα-helixtrans-73.3-50-178.7-77.7170.9000109.3D229 Q233 W234 N235 Y259D229-I231 VanDerWaalsContact C-N 3.3Å; D229-I231 PolarHBondContact O-N 2.77Å; D229-I231 WeakPolarHBondContact OD1-CA 3.45Å; D229-I231 VanDerWaalsContact OD1-CB 3.32Å; D229-I231 WeakPolarHBondContact OD1-CB 3.45Å; D229-I231 PolarHBondContact OD1-N 3.29Å; I231-Q233 VanDerWaalsContact C-N 3.35Å; I231-W234 PolarHBondContact O-N 3.05Å; I231-N235 PolarHBondContact O-N 2.83Å; I231-N235 VanDerWaalsContact O-N 3.08Å; I231-N235 PolarHBondContact O-ND2 3.46Å; I231-Y259 WeakPolarHBondContact CB-OH 3.11Å; I231-Y259 HydrophobicContact CD1-CE2 4.28Å; I231-Y259 HydrophobicContact CG1-CE2 4.11Å; I231-Y259 WeakPolarHBondContact CG1-OH 3.33Å; I231-Y259 HydrophobicContact CG2-CE2 4.48Å; I231-Y259 WeakPolarHBondContact CG2-OH 3.33Å
232D91.8Very high93.5Very high32 Ų3239.2 Ų39.217%0.17121%0.207CC..Hα-helixtrans-65.1-39.6177.6-172.336.9000111T228 D229 W234 N235 K236T228-D232 WeakPolarHBondContact CB-OD2 3.44Å; T228-D232 PolarHBondContact N-OD2 3.21Å; T228-D232 WeakPolarHBondContact OG1-CB 3.38Å; T228-D232 PolarHBondContact OG1-OD2 3.47Å; D229-D232 WeakPolarHBondContact OD1-CB 3.31Å; D229-D232 PolarHBondContact OD1-N 2.97Å; D232-W234 VanDerWaalsContact C-N 3.29Å; D232-W234 PolarHBondContact O-N 3.44Å; D232-N235 WeakPolarHBondContact O-CB 3.46Å; D232-N235 PolarHBondContact O-N 3.28Å; D232-K236 WeakPolarHBondContact O-CG 3.26Å; D232-K236 PolarHBondContact O-N 2.93Å
233Q93.9Very high93.6Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-55.5-45.2173.6-173.866.433.500112R189 I197 F225 G227 D229 I231 K236 V237R189-Q233 HydrophobicContact CG-CB 4.34Å; R189-Q233 HydrophobicContact CG-CG 4.18Å; I197-Q233 HydrophobicContact CD1-CB 4.44Å; I197-Q233 HydrophobicContact CD1-CG 3.47Å; I197-Q233 VanDerWaalsContact CD1-CG 3.47Å; I197-Q233 HydrophobicContact CG1-CG 4.38Å; F225-Q233 PolarHBondContact O-NE2 3.42Å; F225-Q233 PolarHBondContact O-OE1 2.94Å; F225-Q233 VanDerWaalsContact O-OE1 3.08Å; G227-Q233 VanDerWaalsContact CA-OE1 3.28Å; D229-Q233 WeakPolarHBondContact O-CB 3.48Å; D229-Q233 PolarHBondContact O-N 2.88Å; I231-Q233 VanDerWaalsContact C-N 3.35Å; Q233-K236 PolarHBondContact O-N 3.05Å; Q233-V237 WeakPolarHBondContact O-CG2 3.41Å; Q233-V237 PolarHBondContact O-N 2.91Å
234W94.5Very high93.6Very high1 Ų137.5 Ų37.50%0.00420%0.195CC..Hα-helixtrans-63.3-42.2175.8175.1-110.7000112.1P194 L198 H230 I231 D232 K236 V237 I238 P244 F248 V260 V304P194-W234 HydrophobicContact CB-CZ3 3.93Å; P194-W234 HydrophobicContact CG-CZ3 4.39Å; L198-W234 HydrophobicContact CD1-CD2 4.42Å; L198-W234 HydrophobicContact CD1-CE3 4.05Å; L198-W234 HydrophobicContact CD1-CH2 3.97Å; L198-W234 HydrophobicContact CD1-CZ2 4.34Å; L198-W234 HydrophobicContact CD1-CZ3 3.85Å; L198-W234 HydrophobicContact CD2-CD2 4.15Å; L198-W234 HydrophobicContact CD2-CE3 4.35Å; L198-W234 HydrophobicContact CD2-CG 4.37Å; L198-W234 HydrophobicContact CG-CE3 4.36Å; H230-W234 PolarHBondContact O-N 3.2Å; I231-W234 PolarHBondContact O-N 3.05Å; D232-W234 VanDerWaalsContact C-N 3.29Å; D232-W234 PolarHBondContact O-N 3.44Å; W234-K236 PolarHBondContact O-N 3.22Å; W234-V237 HydrophobicContact CE3-CB 4.5Å; W234-V237 HydrophobicContact CZ3-CG1 4.28Å; W234-V237 WeakPolarHBondContact O-CB 3.36Å; W234-V237 PolarHBondContact O-N 3.46Å; W234-I238 HydrophobicContact CD2-CG2 4.06Å; W234-I238 HydrophobicContact CE3-CG2 4.31Å; W234-I238 HydrophobicContact CH2-CG2 3.64Å; W234-I238 HydrophobicContact CZ2-CG2 3.32Å; W234-I238 HydrophobicContact CZ3-CG2 4.1Å; W234-I238 PolarHBondContact O-N 2.96Å; W234-I238 VanDerWaalsContact O-N 3.08Å; W234-P244 HydrophobicContact CH2-CG 3.91Å; W234-P244 HydrophobicContact CZ2-CG 4.04Å; W234-F248 HydrophobicContact CH2-CE1 4.13Å; W234-V260 HydrophobicContact CZ2-CG1 3.57Å; W234-V260 HydrophobicContact CZ2-CG2 4.32Å; W234-V304 HydrophobicContact CH2-CG1 3.88Å; W234-V304 HydrophobicContact CZ3-CG1 4.06Å
235N93.8Very high93.5Very high26 Ų2639.2 Ų39.214%0.13921%0.208CC..Hα-helixtrans-59.4-46.9177.2-64.8-24.4000111.3I231 D232 V237 I238 E239I231-N235 PolarHBondContact O-N 2.83Å; I231-N235 VanDerWaalsContact O-N 3.08Å; I231-N235 PolarHBondContact O-ND2 3.46Å; D232-N235 WeakPolarHBondContact O-CB 3.46Å; D232-N235 PolarHBondContact O-N 3.28Å; N235-V237 PolarHBondContact O-N 2.62Å; N235-I238 WeakPolarHBondContact O-CG1 3.46Å; N235-I238 PolarHBondContact O-N 3.24Å; N235-E239 VanDerWaalsContact O-CB 3.32Å; N235-E239 WeakPolarHBondContact O-CB 3.48Å; N235-E239 WeakPolarHBondContact O-CG 3.26Å; N235-E239 PolarHBondContact O-N 3.24Å
236K95.9Very high93.3Very high66 Ų6642.3 Ų42.329%0.28723%0.233SC..Hα-helixtrans-57.3-35.4176.7-63.3-54.4174.6-167.30113F225 D232 Q233 W234 E239F225-K236 HydrophobicContact CB-CB 4.38Å; D232-K236 WeakPolarHBondContact O-CG 3.26Å; D232-K236 PolarHBondContact O-N 2.93Å; Q233-K236 PolarHBondContact O-N 3.05Å; W234-K236 PolarHBondContact O-N 3.22Å; K236-E239 IonicContact NZ-OE2 3.84Å
237V96.9Very high93.3Very high0 Ų041 Ų410%023%0.231CC..Hα-helixtrans-68.4-52.4177.2169.90000111P194 W209 F225 Q233 W234 N235 Q240 L241 V304P194-V237 HydrophobicContact CG-CG1 4.5Å; W209-V237 HydrophobicContact CH2-CG1 3.77Å; W209-V237 HydrophobicContact CH2-CG2 4.33Å; W209-V237 HydrophobicContact CZ2-CG1 4.2Å; W209-V237 HydrophobicContact CZ2-CG2 3.92Å; F225-V237 HydrophobicContact CB-CG2 4.22Å; F225-V237 HydrophobicContact CD1-CG2 3.96Å; F225-V237 HydrophobicContact CD2-CG2 4.29Å; F225-V237 HydrophobicContact CE1-CG2 4.41Å; F225-V237 HydrophobicContact CG-CG2 3.89Å; Q233-V237 WeakPolarHBondContact O-CG2 3.41Å; Q233-V237 PolarHBondContact O-N 2.91Å; W234-V237 HydrophobicContact CE3-CB 4.5Å; W234-V237 HydrophobicContact CZ3-CG1 4.28Å; W234-V237 WeakPolarHBondContact O-CB 3.36Å; W234-V237 PolarHBondContact O-N 3.46Å; N235-V237 PolarHBondContact O-N 2.62Å; V237-Q240 PolarHBondContact O-N 2.82Å; V237-L241 HydrophobicContact CG1-CD1 4.21Å; V237-L241 WeakPolarHBondContact O-CB 3.43Å; V237-L241 PolarHBondContact O-N 2.92Å; V237-V304 HydrophobicContact CG1-CG2 3.93Å
238I95.8Very high93.4Very high3 Ų341 Ų412%0.01523%0.23CC..Hα-helixtrans-74-27.5-17662.6174000113.5W234 N235 Q240 G242 R263 Y266W234-I238 HydrophobicContact CD2-CG2 4.06Å; W234-I238 HydrophobicContact CE3-CG2 4.31Å; W234-I238 HydrophobicContact CH2-CG2 3.64Å; W234-I238 HydrophobicContact CZ2-CG2 3.32Å; W234-I238 HydrophobicContact CZ3-CG2 4.1Å; W234-I238 PolarHBondContact O-N 2.96Å; W234-I238 VanDerWaalsContact O-N 3.08Å; N235-I238 WeakPolarHBondContact O-CG1 3.46Å; N235-I238 PolarHBondContact O-N 3.24Å; I238-Q240 PolarHBondContact O-N 3.32Å; I238-G242 CarbonylContact O-C 3.42Å; I238-G242 WeakPolarHBondContact O-CA 3.41Å; I238-G242 PolarHBondContact O-N 3.16Å; I238-R263 HydrophobicContact CD1-CB 4.1Å; I238-Y266 HydrophobicContact CB-CD2 4.37Å; I238-Y266 HydrophobicContact CD1-CD2 3.97Å; I238-Y266 HydrophobicContact CD1-CE2 4.04Å; I238-Y266 HydrophobicContact CG1-CD2 3.87Å; I238-Y266 HydrophobicContact CG1-CE2 4.11Å; I238-Y266 VanDerWaalsContact O-CB 3.25Å; I238-Y266 WeakPolarHBondContact O-CB 3.45Å
239E95.9Very high93.6Very high69 Ų6936.3 Ų36.332%0.32220%0.201SC..Hα-helixtrans-61.1-34.4173.6-78.7167.8-168.100111.3N235 K236 Y266N235-E239 VanDerWaalsContact O-CB 3.32Å; N235-E239 WeakPolarHBondContact O-CB 3.48Å; N235-E239 WeakPolarHBondContact O-CG 3.26Å; N235-E239 PolarHBondContact O-N 3.24Å; K236-E239 IonicContact NZ-OE2 3.84Å; E239-Y266 HydrophobicContact CG-CD1 4.46Å; E239-Y266 HydrophobicContact CG-CD2 4.34Å; E239-Y266 HydrophobicContact CG-CE1 4.02Å; E239-Y266 HydrophobicContact CG-CE2 3.85Å
240Q96.7Very high93.8Very high31 Ų3138.9 Ų38.915%0.14521%0.209CC..Hα-helixtrans-94.7-45.5-179.1-67.7-177.554.800113.1I224 F225 V237 I238 I269 L274I224-Q240 PolarHBondContact O-NE2 3.12Å; F225-Q240 HydrophobicContact CE1-CB 4.11Å; V237-Q240 PolarHBondContact O-N 2.82Å; I238-Q240 PolarHBondContact O-N 3.32Å; Q240-I269 HydrophobicContact CG-CD1 4.49Å; Q240-I269 PolarHBondContact O-N 2.9Å; Q240-L274 VanDerWaalsContact OE1-CD1 3.25Å
241L97.4Very high94.1Very high37 Ų3740.1 Ų40.119%0.19421%0.213CC..Hα-helixtrans-96.2-6.5-174-56.8-176.4000113.8W209 F225 V237 F271 L274 L302 V304W209-L241 HydrophobicContact CH2-CD1 3.56Å; W209-L241 HydrophobicContact CZ3-CD1 3.9Å; F225-L241 HydrophobicContact CE1-CD1 4.47Å; F225-L241 HydrophobicContact CE1-CG 4.31Å; F225-L241 HydrophobicContact CZ-CD1 3.95Å; F225-L241 HydrophobicContact CZ-CD2 4.47Å; F225-L241 HydrophobicContact CZ-CG 4.15Å; V237-L241 HydrophobicContact CG1-CD1 4.21Å; V237-L241 WeakPolarHBondContact O-CB 3.43Å; V237-L241 PolarHBondContact O-N 2.92Å; L241-F271 HydrophobicContact CD2-CE2 4.21Å; L241-F271 HydrophobicContact CD2-CZ 3.92Å; L241-L274 HydrophobicContact CD2-CD2 4.22Å; L241-L302 HydrophobicContact CD1-CB 4.38Å; L241-L302 WeakPolarHBondContact CD1-O 3.08Å; L241-V304 HydrophobicContact CB-CG2 4.34Å; L241-V304 HydrophobicContact CD1-CG2 4.08Å
242G96.2Very high94.3Very high4 Ų436.7 Ų36.74%0.04120%0.196CC..  trans88.8165.7-178.900000113.8I238 Y266 G268I238-G242 CarbonylContact O-C 3.42Å; I238-G242 WeakPolarHBondContact O-CA 3.41Å; I238-G242 PolarHBondContact O-N 3.16Å; G242-Y266 CarbonylContact C-O 3.6Å; G242-Y266 VanDerWaalsContact CA-O 3.3Å; G242-Y266 WeakPolarHBondContact CA-O 3.38Å; G242-G268 VanDerWaalsContact CA-CA 3.46Å; G242-G268 VanDerWaalsContact N-CA 3.34Å
243T95.1Very high94.2Very high46 Ų4641.1 Ų41.128%0.28222%0.215SC..PPolyproline II helixtrans-70.6127.7175.6-57.80000109.9M249 K265 Y266T243-M249 HydrophobicContact CG2-CE 3.82Å; T243-K265 WeakPolarHBondContact OG1-CA 3.38Å; T243-Y266 PolarHBondContact N-O 2.97Å; T243-Y266 PolarHBondContact OG1-N 3.22Å
244P93.4Very high94.1Very high20 Ų2045.4 Ų45.413%0.1324%0.243CC..PPolyproline II helixtrans-69.6161.3-175.530-37000112.3W234 F248 M249 V304W234-P244 HydrophobicContact CH2-CG 3.91Å; W234-P244 HydrophobicContact CZ2-CG 4.04Å; P244-F248 HydrophobicContact CB-CB 4.1Å; P244-F248 HydrophobicContact CB-CD1 3.53Å; P244-F248 HydrophobicContact CB-CE1 4.15Å; P244-F248 HydrophobicContact CB-CG 3.91Å; P244-F248 HydrophobicContact CG-CD1 3.45Å; P244-F248 VanDerWaalsContact CG-CD1 3.45Å; P244-F248 HydrophobicContact CG-CE1 3.78Å; P244-F248 HydrophobicContact CG-CG 4.34Å; P244-M249 HydrophobicContact CG-CE 3.48Å; P244-M249 VanDerWaalsContact CG-CE 3.48Å; P244-M249 HydrophobicContact CG-SD 3.97Å; P244-V304 HydrophobicContact CB-CG1 3.95Å; P244-V304 HydrophobicContact CG-CG1 4.29Å
245S93.7Very high93.9Very high47 Ų4750.7 Ų50.733%0.32928%0.276SS..PPolyproline II helixtrans-61.4156.4-177.3670000113.4D247 F248 M249S245-D247 PolarHBondContact O-N 2.99Å; S245-D247 VanDerWaalsContact O-N 3.15Å; S245-F248 WeakPolarHBondContact O-CB 3.36Å; S245-F248 PolarHBondContact O-N 3.02Å; S245-M249 PolarHBondContact O-N 3.46Å; S245-M249 VanDerWaalsContact O-N 3.17Å
246A92.6Very high93.6Very high65 Ų6551 Ų5154%0.53728%0.279SS..Hα-helixtrans-56.6-31.6175.900000113M249 K250A246-M249 PolarHBondContact O-N 3.2Å; A246-K250 WeakPolarHBondContact O-CG 3.3Å; A246-K250 PolarHBondContact O-N 3.32Å; A246-K250 VanDerWaalsContact O-N 3.07Å
247D93.5Very high93.4Very high92 Ų9251.7 Ų51.749%0.49228%0.279SS..Hα-helixtrans-69.3-33177.8-65.4-30.6000112.8S245 K250S245-D247 PolarHBondContact O-N 2.99Å; S245-D247 VanDerWaalsContact O-N 3.15Å; D247-K250 IonicContact OD1-NZ 2.76Å; D247-K250 PolarHBondContact OD1-NZ 3.4Å
248F94Very high93.1Very high0 Ų056.1 Ų56.10%030%0.303CS..Hα-helixtrans-65.7-46.3169.3173.9-92.7000110.8L198 M200 W234 P244 S245 K250 K251 L252 V304 D305L198-F248 HydrophobicContact CD1-CE1 4.07Å; L198-F248 HydrophobicContact CD1-CZ 3.92Å; M200-F248 HydrophobicContact CE-CD2 4.38Å; M200-F248 HydrophobicContact CE-CE2 3.83Å; M200-F248 HydrophobicContact CE-CZ 4.19Å; M200-F248 HydrophobicContact SD-CE2 3.92Å; M200-F248 HydrophobicContact SD-CZ 3.75Å; W234-F248 HydrophobicContact CH2-CE1 4.13Å; P244-F248 HydrophobicContact CB-CB 4.1Å; P244-F248 HydrophobicContact CB-CD1 3.53Å; P244-F248 HydrophobicContact CB-CE1 4.15Å; P244-F248 HydrophobicContact CB-CG 3.91Å; P244-F248 HydrophobicContact CG-CD1 3.45Å; P244-F248 VanDerWaalsContact CG-CD1 3.45Å; P244-F248 HydrophobicContact CG-CE1 3.78Å; P244-F248 HydrophobicContact CG-CG 4.34Å; S245-F248 WeakPolarHBondContact O-CB 3.36Å; S245-F248 PolarHBondContact O-N 3.02Å; F248-K250 PolarHBondContact O-N 3.08Å; F248-K251 WeakPolarHBondContact O-CB 3.03Å; F248-K251 PolarHBondContact O-N 3.28Å; F248-L252 HydrophobicContact CE1-CD1 4.34Å; F248-L252 HydrophobicContact CE1-CD2 4.2Å; F248-L252 HydrophobicContact CE1-CG 4.49Å; F248-L252 HydrophobicContact CZ-CD2 4.37Å; F248-V304 HydrophobicContact CE1-CG1 4.11Å; F248-V304 HydrophobicContact CE2-CG1 4.02Å; F248-V304 HydrophobicContact CZ-CG1 3.8Å; F248-D305 HydrophobicContact CD2-CB 3.94Å
249M92.6Very high92.7Very high8 Ų859.1 Ų59.14%0.03932%0.315CS..Hα-helixtrans-59.2-33.8-179.6-58.8-56.8-166.300112.7T243 P244 S245 A246 K251 L252 R257 V260 E261T243-M249 HydrophobicContact CG2-CE 3.82Å; P244-M249 HydrophobicContact CG-CE 3.48Å; P244-M249 VanDerWaalsContact CG-CE 3.48Å; P244-M249 HydrophobicContact CG-SD 3.97Å; S245-M249 PolarHBondContact O-N 3.46Å; S245-M249 VanDerWaalsContact O-N 3.17Å; A246-M249 PolarHBondContact O-N 3.2Å; M249-K251 PolarHBondContact O-N 3.43Å; M249-L252 WeakPolarHBondContact O-CB 3.41Å; M249-L252 PolarHBondContact O-N 2.69Å; M249-L252 VanDerWaalsContact O-N 3.17Å; M249-L252 HydrophobicContact SD-CD1 3.87Å; M249-R257 VanDerWaalsContact O-CD 3.31Å; M249-R257 WeakPolarHBondContact O-CD 3.25Å; M249-V260 HydrophobicContact CE-CG1 3.37Å; M249-V260 HydrophobicContact SD-CB 4.2Å; M249-V260 HydrophobicContact SD-CG1 3.41Å; M249-V260 WeakPolarHBondContact SD-CG1 3.35Å; M249-E261 HydrophobicContact CG-CG 4.38Å
250K92.9Very high92.4Very high127 Ų12756 Ų5655%0.55230%0.3SS*.THydrogen-bonded Turntrans-62.8-23.5176.4-71.9170.2-166161.30113.6A246 D247 F248 L252A246-K250 WeakPolarHBondContact O-CG 3.3Å; A246-K250 PolarHBondContact O-N 3.32Å; A246-K250 VanDerWaalsContact O-N 3.07Å; D247-K250 IonicContact OD1-NZ 2.76Å; D247-K250 PolarHBondContact OD1-NZ 3.4Å; F248-K250 PolarHBondContact O-N 3.08Å; K250-L252 VanDerWaalsContact C-N 3.3Å
251K92.6Very high92.1Very high86 Ų8658.5 Ų58.537%0.37431%0.312SS..THydrogen-bonded Turntrans-80.9-11.8179-55.4173.5-165.7177.90112.6M200 F248 M249 D305 D307M200-K251 HydrophobicContact CE-CB 3.8Å; F248-K251 WeakPolarHBondContact O-CB 3.03Å; F248-K251 PolarHBondContact O-N 3.28Å; M249-K251 PolarHBondContact O-N 3.43Å; K251-D305 IonicContact NZ-OD1 2.97Å; K251-D305 PolarHBondContact NZ-OD1 2.92Å; K251-D305 IonicContact NZ-OD2 3.97Å; K251-D305 PolarHBondContact NZ-OD2 3.28Å; K251-D307 IonicContact NZ-OD2 3.79Å; K251-D307 PolarHBondContact NZ-OD2 3.12Å
252L91.7Very high91.7Very high11 Ų1163.3 Ų63.36%0.05834%0.338CS..SBendtrans-79.8149-177.5-59.8177.6000111.9L198 M200 F248 M249 K250 V256 R257 V260L198-L252 HydrophobicContact CB-CD2 4.19Å; L198-L252 HydrophobicContact CD1-CD2 3.87Å; M200-L252 HydrophobicContact CE-CD2 4.06Å; M200-L252 HydrophobicContact CG-CD2 3.68Å; M200-L252 HydrophobicContact SD-CD2 3.36Å; M200-L252 WeakPolarHBondContact SD-CD2 3.36Å; F248-L252 HydrophobicContact CE1-CD1 4.34Å; F248-L252 HydrophobicContact CE1-CD2 4.2Å; F248-L252 HydrophobicContact CE1-CG 4.49Å; F248-L252 HydrophobicContact CZ-CD2 4.37Å; M249-L252 WeakPolarHBondContact O-CB 3.41Å; M249-L252 PolarHBondContact O-N 2.69Å; M249-L252 VanDerWaalsContact O-N 3.17Å; M249-L252 HydrophobicContact SD-CD1 3.87Å; K250-L252 VanDerWaalsContact C-N 3.3Å; L252-V256 HydrophobicContact CD2-CG1 4.43Å; L252-R257 HydrophobicContact CB-CB 3.85Å; L252-R257 HydrophobicContact CB-CG 4.45Å; L252-V260 HydrophobicContact CD1-CB 4.08Å; L252-V260 HydrophobicContact CD1-CG1 4.38Å; L252-V260 HydrophobicContact CD1-CG2 3.98Å
253Q90.1Very high91.4Very high125 Ų12567 Ų6758%0.58435%0.351SS*.  trans-59.3145.3168.3-71.9-66.5-15.100110.6T255 V256 R257Q253-T255 VanDerWaalsContact C-N 3.3Å; Q253-T255 PolarHBondContact O-N 3.44Å; Q253-T255 VanDerWaalsContact O-N 3.13Å; Q253-V256 HydrophobicContact CB-CG2 4.29Å; Q253-V256 PolarHBondContact O-N 3.19Å; Q253-R257 WeakPolarHBondContact O-CB 3.1Å; Q253-R257 PolarHBondContact O-N 3.48Å
254P90.9Very high91.3Very high89 Ų8968.3 Ų68.358%0.57836%0.36SS*.Hα-helixtrans-53.6-40.6-171.1-2935.1000115N258P254-N258 VanDerWaalsContact O-CG 3.31Å; P254-N258 PolarHBondContact O-N 2.85Å; P254-N258 PolarHBondContact O-ND2 3.45Å
255T89.5Confident91.3Very high112 Ų11276.2 Ų76.269%0.68739%0.392SS*.Hα-helixtrans-67.3-45.6178.648.50000112.1Q253 Y259Q253-T255 VanDerWaalsContact C-N 3.3Å; Q253-T255 PolarHBondContact O-N 3.44Å; Q253-T255 VanDerWaalsContact O-N 3.13Å; T255-Y259 PolarHBondContact O-N 2.97Å
256V89.2Confident91.4Very high34 Ų3477.5 Ų77.521%0.20639%0.39CS..Hα-helixtrans-66.1-41.9177.3-178.20000110.3L198 L252 Q253 Y259 V260L198-V256 HydrophobicContact CB-CG1 4.09Å; L198-V256 HydrophobicContact CD2-CG1 3.83Å; L198-V256 HydrophobicContact CG-CG1 4.49Å; L252-V256 HydrophobicContact CD2-CG1 4.43Å; Q253-V256 HydrophobicContact CB-CG2 4.29Å; Q253-V256 PolarHBondContact O-N 3.19Å; V256-Y259 WeakPolarHBondContact O-CB 3.22Å; V256-Y259 PolarHBondContact O-N 3.16Å; V256-V260 HydrophobicContact CG1-CG2 4.25Å; V256-V260 WeakPolarHBondContact O-CG2 3.36Å; V256-V260 PolarHBondContact O-N 3.17Å
257R91.6Very high91.4Very high79 Ų7980.8 Ų80.830%0.29841%0.406SS..Hα-helixtrans-57.7-51.6176.9-173.1177.4174.2174.7-3.5111.9M249 L252 Q253 Y259 V260 E261M249-R257 VanDerWaalsContact O-CD 3.31Å; M249-R257 WeakPolarHBondContact O-CD 3.25Å; L252-R257 HydrophobicContact CB-CB 3.85Å; L252-R257 HydrophobicContact CB-CG 4.45Å; Q253-R257 WeakPolarHBondContact O-CB 3.1Å; Q253-R257 PolarHBondContact O-N 3.48Å; R257-Y259 PolarHBondContact O-N 3.01Å; R257-V260 PolarHBondContact O-N 2.9Å; R257-V260 VanDerWaalsContact O-N 3.14Å; R257-E261 HydrophobicContact CG-CG 4.19Å; R257-E261 IonicContact CZ-OE1 3.33Å; R257-E261 IonicContact NE-OE1 2.82Å; R257-E261 PolarHBondContact NE-OE1 2.99Å; R257-E261 IonicContact NE-OE2 3.72Å; R257-E261 IonicContact NH2-OE1 3.23Å; R257-E261 PolarHBondContact NH2-OE1 2.69Å; R257-E261 WeakPolarHBondContact O-CB 2.97Å; R257-E261 WeakPolarHBondContact O-CG 3.28Å; R257-E261 PolarHBondContact O-N 2.78Å
258N90.4Very high91.5Very high94 Ų9477.6 Ų77.650%0.50340%0.395SS..Hα-helixtrans-57.9-40.3177.3-75.6-18.1000111.5P254 N262P254-N258 VanDerWaalsContact O-CG 3.31Å; P254-N258 PolarHBondContact O-N 2.85Å; P254-N258 PolarHBondContact O-ND2 3.45Å; N258-N262 WeakPolarHBondContact O-CB 2.92Å; N258-N262 VanDerWaalsContact O-CG 3.28Å; N258-N262 PolarHBondContact O-N 3.31Å; N258-N262 PolarHBondContact O-ND2 3.3Å
259Y87.7Confident91.6Very high66 Ų6680.9 Ų80.926%0.25941%0.412SS..Hα-helixtrans-62.8-47.5175.8166.7-92000111.9I231 T255 V256 R257 R263I231-Y259 WeakPolarHBondContact CB-OH 3.11Å; I231-Y259 HydrophobicContact CD1-CE2 4.28Å; I231-Y259 HydrophobicContact CG1-CE2 4.11Å; I231-Y259 WeakPolarHBondContact CG1-OH 3.33Å; I231-Y259 HydrophobicContact CG2-CE2 4.48Å; I231-Y259 WeakPolarHBondContact CG2-OH 3.33Å; T255-Y259 PolarHBondContact O-N 2.97Å; V256-Y259 WeakPolarHBondContact O-CB 3.22Å; V256-Y259 PolarHBondContact O-N 3.16Å; R257-Y259 PolarHBondContact O-N 3.01Å; Y259-R263 VanDerWaalsContact CZ-NH2 3.28Å; Y259-R263 PolarHBondContact OH-NE 2.63Å; Y259-R263 PolarHBondContact OH-NH2 3.35Å
260V88.6Confident91.8Very high3 Ų387 Ų872%0.01844%0.438CS..Hα-helixtrans-69.4-41.8-177.9177.50000111.9L198 W234 M249 L252 V256 R257 N262 R263L198-V260 HydrophobicContact CD2-CG2 3.98Å; W234-V260 HydrophobicContact CZ2-CG1 3.57Å; W234-V260 HydrophobicContact CZ2-CG2 4.32Å; M249-V260 HydrophobicContact CE-CG1 3.37Å; M249-V260 HydrophobicContact SD-CB 4.2Å; M249-V260 HydrophobicContact SD-CG1 3.41Å; M249-V260 WeakPolarHBondContact SD-CG1 3.35Å; L252-V260 HydrophobicContact CD1-CB 4.08Å; L252-V260 HydrophobicContact CD1-CG1 4.38Å; L252-V260 HydrophobicContact CD1-CG2 3.98Å; V256-V260 HydrophobicContact CG1-CG2 4.25Å; V256-V260 WeakPolarHBondContact O-CG2 3.36Å; V256-V260 PolarHBondContact O-N 3.17Å; R257-V260 PolarHBondContact O-N 2.9Å; R257-V260 VanDerWaalsContact O-N 3.14Å; V260-N262 VanDerWaalsContact C-N 3.26Å; V260-N262 PolarHBondContact O-N 2.98Å; V260-R263 WeakPolarHBondContact O-CB 3.28Å; V260-R263 PolarHBondContact O-N 3.02Å
261E89.8Confident92Very high84 Ų8482.5 Ų82.539%0.39342%0.419SS..Hα-helixtrans-66.6-26.8-179.8-74.4-178.9166.200112.8M249 R257 R263M249-E261 HydrophobicContact CG-CG 4.38Å; R257-E261 HydrophobicContact CG-CG 4.19Å; R257-E261 IonicContact CZ-OE1 3.33Å; R257-E261 IonicContact NE-OE1 2.82Å; R257-E261 PolarHBondContact NE-OE1 2.99Å; R257-E261 IonicContact NE-OE2 3.72Å; R257-E261 IonicContact NH2-OE1 3.23Å; R257-E261 PolarHBondContact NH2-OE1 2.69Å; R257-E261 WeakPolarHBondContact O-CB 2.97Å; R257-E261 WeakPolarHBondContact O-CG 3.28Å; R257-E261 PolarHBondContact O-N 2.78Å; E261-R263 VanDerWaalsContact C-N 3.29Å; E261-R263 PolarHBondContact O-N 3.47Å
262N89.9Confident92.2Very high138 Ų13883.9 Ų83.974%0.73843%0.427SS*.THydrogen-bonded Turntrans-84.12.3177.2-74.6-43000113.9N258 V260N258-N262 WeakPolarHBondContact O-CB 2.92Å; N258-N262 VanDerWaalsContact O-CG 3.28Å; N258-N262 PolarHBondContact O-N 3.31Å; N258-N262 PolarHBondContact O-ND2 3.3Å; V260-N262 VanDerWaalsContact C-N 3.26Å; V260-N262 PolarHBondContact O-N 2.98Å
263R89.6Confident92.4Very high81 Ų8189.4 Ų89.431%0.30645%0.452SS..SBendtrans-79.5154.6174.6-69.1-61.5-176.3-165.67.7111.8I238 Y259 V260 E261 K265I238-R263 HydrophobicContact CD1-CB 4.1Å; Y259-R263 VanDerWaalsContact CZ-NH2 3.28Å; Y259-R263 PolarHBondContact OH-NE 2.63Å; Y259-R263 PolarHBondContact OH-NH2 3.35Å; V260-R263 WeakPolarHBondContact O-CB 3.28Å; V260-R263 PolarHBondContact O-N 3.02Å; E261-R263 VanDerWaalsContact C-N 3.29Å; E261-R263 PolarHBondContact O-N 3.47Å; R263-K265 PolarHBondContact O-N 3Å
264P92.1Very high92.6Very high74 Ų7484 Ų8448%0.48143%0.427SS..PPolyproline II helixtrans-52.7139.6171.2-24.233.8000110.9Y266P264-Y266 HydrophobicContact CB-CE1 4.48Å; P264-Y266 HydrophobicContact CB-CE2 3.94Å; P264-Y266 VanDerWaalsContact O-CD2 3.25Å; P264-Y266 WeakPolarHBondContact O-CD2 3.34Å; P264-Y266 WeakPolarHBondContact O-CE2 3.43Å
265K93.8Very high92.9Very high185 Ų18579.8 Ų79.880%0.80440%0.4SS*.PPolyproline II helixtrans-81.3122.3176.9-68.1-173.3179.4-179.60109.5T243 R263T243-K265 WeakPolarHBondContact OG1-CA 3.38Å; R263-K265 PolarHBondContact O-N 3Å
266Y95.5Very high93.2Very high74 Ų7475.6 Ų75.629%0.2938%0.375SS..  trans-109.2133.4177.3-63.3-74.5000109.6I238 E239 G242 T243 P264 G268I238-Y266 HydrophobicContact CB-CD2 4.37Å; I238-Y266 HydrophobicContact CD1-CD2 3.97Å; I238-Y266 HydrophobicContact CD1-CE2 4.04Å; I238-Y266 HydrophobicContact CG1-CD2 3.87Å; I238-Y266 HydrophobicContact CG1-CE2 4.11Å; I238-Y266 VanDerWaalsContact O-CB 3.25Å; I238-Y266 WeakPolarHBondContact O-CB 3.45Å; E239-Y266 HydrophobicContact CG-CD1 4.46Å; E239-Y266 HydrophobicContact CG-CD2 4.34Å; E239-Y266 HydrophobicContact CG-CE1 4.02Å; E239-Y266 HydrophobicContact CG-CE2 3.85Å; G242-Y266 CarbonylContact C-O 3.6Å; G242-Y266 VanDerWaalsContact CA-O 3.3Å; G242-Y266 WeakPolarHBondContact CA-O 3.38Å; T243-Y266 PolarHBondContact N-O 2.97Å; T243-Y266 PolarHBondContact OG1-N 3.22Å; P264-Y266 HydrophobicContact CB-CE1 4.48Å; P264-Y266 HydrophobicContact CB-CE2 3.94Å; P264-Y266 VanDerWaalsContact O-CD2 3.25Å; P264-Y266 WeakPolarHBondContact O-CD2 3.34Å; P264-Y266 WeakPolarHBondContact O-CE2 3.43Å; Y266-G268 PolarHBondContact O-N 3.26Å
267P93.9Very high93.3Very high135 Ų13578.8 Ų78.888%0.87739%0.39SS*.  trans-71.9-17.6177.529.6-34.7000113.1
268G94.7Very high93.3Very high25 Ų2585 Ų8526%0.25841%0.414SS..  trans82.5153.5-169.900000112.1G242 Y266G242-G268 VanDerWaalsContact CA-CA 3.46Å; G242-G268 VanDerWaalsContact N-CA 3.34Å; Y266-G268 PolarHBondContact O-N 3.26Å
269I96.3Very high93.4Very high68 Ų6882 Ų8235%0.34940%0.398SS..  trans-94.6137.6175.1-55.1175.4000107.1Q240 E273 L274Q240-I269 HydrophobicContact CG-CD1 4.49Å; Q240-I269 PolarHBondContact O-N 2.9Å; I269-E273 HydrophobicContact CG2-CB 3.59Å; I269-L274 HydrophobicContact CG2-CB 4.17Å
270K97.3Very high93.6Very high137 Ų13779.3 Ų79.360%0.59639%0.387SS*.  trans-64.5147.8175.9-65.8-179-177.1171.60110.3E272 E273 L274K270-E272 PolarHBondContact O-N 3.12Å; K270-E273 HydrophobicContact CB-CG 4.4Å; K270-E273 PolarHBondContact O-N 3.2Å; K270-L274 PolarHBondContact O-N 2.86Å
271F97.2Very high93.4Very high33 Ų3380.9 Ų80.915%0.14540%0.398CS..Hα-helixtrans-63.6-26.6-178.9-88.8-99.7000112.8L241 E273 F275 R295 L298 S299 L302L241-F271 HydrophobicContact CD2-CE2 4.21Å; L241-F271 HydrophobicContact CD2-CZ 3.92Å; F271-E273 VanDerWaalsContact C-N 3.3Å; F271-F275 AromaticContact CD1-CD2 3.68Å; F271-F275 HydrophobicContact CD1-CD2 3.68Å; F271-F275 AromaticContact CD1-CE2 3.68Å; F271-F275 HydrophobicContact CD1-CE2 3.68Å; F271-F275 HydrophobicContact CE1-CD2 4.23Å; F271-F275 AromaticContact CE1-CE2 3.73Å; F271-F275 HydrophobicContact CE1-CE2 3.73Å; F271-F275 CarbonylContact O-C 3.59Å; F271-F275 WeakPolarHBondContact O-CA 3.33Å; F271-F275 WeakPolarHBondContact O-CB 3.46Å; F271-F275 PolarHBondContact O-N 3.15Å; F271-R295 HydrophobicContact CB-CG 3.97Å; F271-L298 HydrophobicContact CD1-CB 4.15Å; F271-L298 HydrophobicContact CE1-CB 4.07Å; F271-S299 VanDerWaalsContact CE1-CA 3.42Å; F271-L302 HydrophobicContact CE1-CB 4.16Å; F271-L302 HydrophobicContact CE1-CD1 4.25Å; F271-L302 HydrophobicContact CZ-CB 3.9Å
272E96Very high92.8Very high114 Ų11480.2 Ų80.253%0.53340%0.402SS..Hα-helixtrans-68.8-28.8173.2-61.571.1-154.300112.6K270 F275 P276K270-E272 PolarHBondContact O-N 3.12Å; E272-F275 CarbonylContact O-C 3.58Å; E272-P276 WeakPolarHBondContact O-CA 3.37Å
273E96.1Very high91.8Very high128 Ų12882.9 Ų82.960%0.59841%0.41SS*.Hα-helixtrans-87-36.5176.1-67.8171.8-145.800110.9I269 K270 F271I269-E273 HydrophobicContact CG2-CB 3.59Å; K270-E273 HydrophobicContact CB-CG 4.4Å; K270-E273 PolarHBondContact O-N 3.2Å; F271-E273 VanDerWaalsContact C-N 3.3Å
274L95.7Very high91.1Very high11 Ų1181.4 Ų81.46%0.05841%0.412CS..Hα-helixtrans-72.1-35.2178.2-175.759.2000112.3Q240 L241 I269 K270Q240-L274 VanDerWaalsContact OE1-CD1 3.25Å; L241-L274 HydrophobicContact CD2-CD2 4.22Å; I269-L274 HydrophobicContact CG2-CB 4.17Å; K270-L274 PolarHBondContact O-N 2.86Å
275F96.4Very high90.1Very high0 Ų083.7 Ų83.70%042%0.42CS..SBendtrans-129.977.4176.1-54.2-83.7000110.1K220 I224 F271 E272 I279 F280 R295 L298 L302K220-F275 HydrophobicContact CD-CD1 3.91Å; K220-F275 HydrophobicContact CD-CE1 3.59Å; K220-F275 HydrophobicContact CD-CZ 4.46Å; K220-F275 HydrophobicContact CG-CD1 3.92Å; K220-F275 HydrophobicContact CG-CE1 3.9Å; I224-F275 HydrophobicContact CD1-CE1 4.31Å; I224-F275 HydrophobicContact CD1-CZ 4.06Å; F271-F275 AromaticContact CD1-CD2 3.68Å; F271-F275 HydrophobicContact CD1-CD2 3.68Å; F271-F275 AromaticContact CD1-CE2 3.68Å; F271-F275 HydrophobicContact CD1-CE2 3.68Å; F271-F275 HydrophobicContact CE1-CD2 4.23Å; F271-F275 AromaticContact CE1-CE2 3.73Å; F271-F275 HydrophobicContact CE1-CE2 3.73Å; F271-F275 CarbonylContact O-C 3.59Å; F271-F275 WeakPolarHBondContact O-CA 3.33Å; F271-F275 WeakPolarHBondContact O-CB 3.46Å; F271-F275 PolarHBondContact O-N 3.15Å; E272-F275 CarbonylContact O-C 3.58Å; F275-I279 HydrophobicContact CB-CD1 3.94Å; F275-I279 HydrophobicContact CD1-CD1 3.86Å; F275-I279 HydrophobicContact CG-CD1 4.37Å; F275-F280 HydrophobicContact CB-CE2 3.72Å; F275-F280 HydrophobicContact CB-CZ 3.85Å; F275-F280 WeakPolarHBondContact O-CE2 3.44Å; F275-R295 VanDerWaalsContact O-CZ 3.29Å; F275-R295 PolarHBondContact O-NE 3.01Å; F275-R295 PolarHBondContact O-NH2 3.23Å; F275-L298 HydrophobicContact CD1-CD1 3.91Å; F275-L298 HydrophobicContact CD2-CD1 4.08Å; F275-L298 HydrophobicContact CE1-CD1 4.01Å; F275-L298 HydrophobicContact CE2-CB 4.45Å; F275-L298 HydrophobicContact CE2-CD1 4.16Å; F275-L298 HydrophobicContact CG-CD1 3.95Å; F275-L298 HydrophobicContact CZ-CD1 4.13Å; F275-L298 HydrophobicContact CZ-CD2 4.21Å; F275-L302 HydrophobicContact CE2-CD1 4.22Å; F275-L302 HydrophobicContact CZ-CD1 3.98Å
276P95.1Very high89.1Confident25 Ų2584.8 Ų84.816%0.16242%0.419CS..  trans-68160.4-18029.8-37000112.4E272 W278 I279 F280E272-P276 WeakPolarHBondContact O-CA 3.37Å; P276-W278 HydrophobicContact CB-CG 4.48Å; P276-W278 VanDerWaalsContact CB-NE1 3.34Å; P276-W278 HydrophobicContact CG-CD2 4.18Å; P276-W278 HydrophobicContact CG-CG 4.41Å; P276-W278 HydrophobicContact CG-CZ2 3.64Å; P276-W278 PolarHBondContact O-N 3.5Å; P276-W278 VanDerWaalsContact O-N 3.14Å; P276-I279 HydrophobicContact CG-CG1 4.26Å; P276-I279 HydrophobicContact CG-CG2 4.24Å; P276-I279 WeakPolarHBondContact O-CG1 3.44Å; P276-I279 PolarHBondContact O-N 2.78Å; P276-F280 WeakPolarHBondContact O-CD2 3.45Å
277D92.4Very high88.4Confident100 Ų10082.5 Ų82.554%0.53541%0.412SS..G310 helixtrans-58.2-32.1-174.6-69.2-21.1000113.6I279 F280 R295D277-I279 VanDerWaalsContact C-N 3.3Å; D277-I279 PolarHBondContact O-N 3.47Å; D277-F280 PolarHBondContact O-N 2.54Å; D277-R295 IonicContact OD1-CZ 2.66Å; D277-R295 VanDerWaalsContact OD1-CZ 3.29Å; D277-R295 IonicContact OD1-NH1 2.78Å; D277-R295 PolarHBondContact OD1-NH1 3.44Å; D277-R295 IonicContact OD1-NH2 3.58Å; D277-R295 PolarHBondContact OD1-NH2 2.93Å
278W91Very high88Confident210 Ų21082 Ų8280%0.79540%0.396SS*.G310 helixtrans-73.8-13.1-175.361.3-98.5000115.1P276P276-W278 HydrophobicContact CB-CG 4.48Å; P276-W278 VanDerWaalsContact CB-NE1 3.34Å; P276-W278 HydrophobicContact CG-CD2 4.18Å; P276-W278 HydrophobicContact CG-CG 4.41Å; P276-W278 HydrophobicContact CG-CZ2 3.64Å; P276-W278 PolarHBondContact O-N 3.5Å; P276-W278 VanDerWaalsContact O-N 3.14Å
279I92.5Very high87.9Confident32 Ų3285.8 Ų85.816%0.16441%0.41CS..G310 helixtrans-87.6-9.6172.160.2162.7000112.5V219 K220 F275 P276 D277V219-I279 HydrophobicContact CB-CD1 4.44Å; V219-I279 HydrophobicContact CG1-CB 4.17Å; V219-I279 HydrophobicContact CG1-CD1 3.47Å; V219-I279 VanDerWaalsContact CG1-CD1 3.47Å; V219-I279 HydrophobicContact CG1-CG1 3.65Å; V219-I279 WeakPolarHBondContact CG1-O 3.18Å; K220-I279 HydrophobicContact CG-CD1 3.67Å; F275-I279 HydrophobicContact CB-CD1 3.94Å; F275-I279 HydrophobicContact CD1-CD1 3.86Å; F275-I279 HydrophobicContact CG-CD1 4.37Å; P276-I279 HydrophobicContact CG-CG1 4.26Å; P276-I279 HydrophobicContact CG-CG2 4.24Å; P276-I279 WeakPolarHBondContact O-CG1 3.44Å; P276-I279 PolarHBondContact O-N 2.78Å; D277-I279 VanDerWaalsContact C-N 3.3Å; D277-I279 PolarHBondContact O-N 3.47Å
280F92.1Very high87.8Confident9 Ų985.1 Ų85.14%0.03941%0.405CS..SBendtrans-90.4153.2174.2-68.2-88.5000110.5V219 F275 P276 D277 S282 T291 A294 R295 L298V219-F280 HydrophobicContact CB-CE1 4.28Å; V219-F280 HydrophobicContact CG1-CD1 3.64Å; V219-F280 HydrophobicContact CG1-CD2 4.13Å; V219-F280 HydrophobicContact CG1-CE1 3.55Å; V219-F280 HydrophobicContact CG1-CE2 4.05Å; V219-F280 HydrophobicContact CG1-CG 3.95Å; V219-F280 HydrophobicContact CG1-CZ 3.77Å; V219-F280 HydrophobicContact CG2-CD1 4.07Å; V219-F280 HydrophobicContact CG2-CE1 3.67Å; V219-F280 HydrophobicContact CG2-CZ 4.4Å; F275-F280 HydrophobicContact CB-CE2 3.72Å; F275-F280 HydrophobicContact CB-CZ 3.85Å; F275-F280 WeakPolarHBondContact O-CE2 3.44Å; P276-F280 WeakPolarHBondContact O-CD2 3.45Å; D277-F280 PolarHBondContact O-N 2.54Å; F280-S282 PolarHBondContact O-N 3.04Å; F280-T291 HydrophobicContact CB-CG2 3.91Å; F280-T291 WeakPolarHBondContact CB-OG1 3.46Å; F280-T291 HydrophobicContact CD1-CG2 4.47Å; F280-T291 HydrophobicContact CD2-CG2 3.63Å; F280-T291 HydrophobicContact CE2-CG2 4.23Å; F280-T291 HydrophobicContact CG-CG2 3.75Å; F280-A294 HydrophobicContact CD1-CB 4.14Å; F280-A294 HydrophobicContact CE1-CB 3.65Å; F280-R295 HydrophobicContact CZ-CB 4.28Å; F280-L298 HydrophobicContact CE1-CD1 4.46Å; F280-L298 HydrophobicContact CZ-CD1 4.16Å
281P84.4Confident87.6Confident36 Ų3678.7 Ų78.723%0.23438%0.377CS..  trans-60.8124170.2-17.331.5000109.3L123 H125L123-P281 WeakPolarHBondContact O-CG 3.35Å; H125-P281 PolarHBondContact CD2-O 3.34Å; H125-P281 PolarHBondContact NE2-O 3.32Å; H125-P281 VanDerWaalsContact NE2-O 3.13Å
282S77.9Confident87.6Confident69 Ų6980.3 Ų80.348%0.48339%0.393SS..  trans-147.399.5-177.2-168.90000111.3F280F280-S282 PolarHBondContact O-N 3.04Å
283E67.4Low87.6Confident194 Ų19477.1 Ų77.191%0.90738%0.377SS*.SBendtrans-116.9-19.5175.4-62.3-171.1170.300112D287E283-D287 PolarHBondContact N-OD2 2.89Å
284S74.6Confident87.7Confident50 Ų5071 Ų7135%0.3535%0.349SS..SBendtrans-141.8167.2-173.774.80000114.4R286 D287 K288S284-R286 PolarHBondContact O-N 3.2Å; S284-R286 PolarHBondContact OG-N 3.25Å; S284-D287 WeakPolarHBondContact CB-OD2 3.38Å; S284-D287 PolarHBondContact N-OD2 3.02Å; S284-D287 WeakPolarHBondContact O-CB 3.34Å; S284-D287 PolarHBondContact O-N 3.41Å; S284-D287 VanDerWaalsContact OG-CG 3.25Å; S284-D287 PolarHBondContact OG-N 2.89Å; S284-D287 PolarHBondContact OG-OD2 3.37Å; S284-K288 PolarHBondContact O-N 3.19Å
285D71.8Confident87.8Confident122 Ų12271.4 Ų71.465%0.65235%0.35SS*.Hα-helixtrans-64.1-26.2173.4-75.7-33.6000113.2D287 K288D285-D287 VanDerWaalsContact C-N 3.27Å; D285-D287 PolarHBondContact O-N 2.62Å; D285-K288 PolarHBondContact O-N 3Å; D285-K288 WeakPolarHBondContact OD1-CE 3.27Å; D285-K288 IonicContact OD1-NZ 3.47Å; D285-K288 PolarHBondContact OD1-NZ 2.91Å
286R72.4Confident87.9Confident208 Ų20874.4 Ų74.479%0.78537%0.366SS*.Hα-helixtrans-66-33.3172.4-70.8-176178.1-165.90.1111.2S284 K288 L289 K290S284-R286 PolarHBondContact O-N 3.2Å; S284-R286 PolarHBondContact OG-N 3.25Å; R286-K288 VanDerWaalsContact C-N 3.32Å; R286-L289 PolarHBondContact O-N 3.34Å; R286-K290 PolarHBondContact O-N 3.29Å; R286-K290 VanDerWaalsContact O-N 3.15Å
287D80.7Confident88.1Confident27 Ų2773.2 Ų73.214%0.14436%0.358CS..Hα-helixtrans-72.4-26.7178.4-56.9-42000112.3H125 E283 S284 D285 L289 K290 T291H125-D287 IonicContact CD2-OD1 3.66Å; H125-D287 PolarHBondContact NE2-O 2.91Å; E283-D287 PolarHBondContact N-OD2 2.89Å; S284-D287 WeakPolarHBondContact CB-OD2 3.38Å; S284-D287 PolarHBondContact N-OD2 3.02Å; S284-D287 WeakPolarHBondContact O-CB 3.34Å; S284-D287 PolarHBondContact O-N 3.41Å; S284-D287 VanDerWaalsContact OG-CG 3.25Å; S284-D287 PolarHBondContact OG-N 2.89Å; S284-D287 PolarHBondContact OG-OD2 3.37Å; D285-D287 VanDerWaalsContact C-N 3.27Å; D285-D287 PolarHBondContact O-N 2.62Å; D287-L289 PolarHBondContact O-N 2.89Å; D287-K290 PolarHBondContact O-N 2.74Å; D287-T291 VanDerWaalsContact O-CB 3.23Å; D287-T291 WeakPolarHBondContact O-CB 3.49Å; D287-T291 PolarHBondContact O-N 3.43Å; D287-T291 PolarHBondContact O-OG1 3.32Å
288K86.9Confident88.4Confident124 Ų12468.4 Ų68.454%0.53933%0.332SS..Hα-helixtrans-62.8-42.8171.8-65.6177.5-176.3158.40112.1S284 D285 R286 T291 S292S284-K288 PolarHBondContact O-N 3.19Å; D285-K288 PolarHBondContact O-N 3Å; D285-K288 WeakPolarHBondContact OD1-CE 3.27Å; D285-K288 IonicContact OD1-NZ 3.47Å; D285-K288 PolarHBondContact OD1-NZ 2.91Å; R286-K288 VanDerWaalsContact C-N 3.32Å; K288-T291 PolarHBondContact O-N 2.84Å; K288-S292 PolarHBondContact O-N 2.94Å
289L91.2Very high88.7Confident105 Ų10560.2 Ų60.255%0.5531%0.307SS..Hα-helixtrans-65.1-46.3175178.762.4000110.7R286 D287 T291 S292 Q293R286-L289 PolarHBondContact O-N 3.34Å; D287-L289 PolarHBondContact O-N 2.89Å; L289-T291 VanDerWaalsContact C-N 3.31Å; L289-T291 PolarHBondContact O-N 3.27Å; L289-S292 PolarHBondContact O-N 3.07Å; L289-Q293 HydrophobicContact CD1-CG 4.42Å; L289-Q293 VanDerWaalsContact O-CG 3.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.15Å; L289-Q293 PolarHBondContact O-N 3.13Å
290K93.7Very high89Confident53 Ų5362.2 Ų62.223%0.2332%0.315CS..Hα-helixtrans-61.9-37.6177.5-71.1-170.3-177.1176.90112H125 E126 R286 D287 Q293 A294 Y320H125-K290 HydrophobicContact CB-CB 4.14Å; H125-K290 HydrophobicContact CB-CD 3.51Å; H125-K290 HydrophobicContact CB-CG 4.45Å; E126-K290 VanDerWaalsContact CG-NZ 3.27Å; E126-K290 IonicContact OE1-NZ 3.97Å; E126-K290 PolarHBondContact OE1-NZ 3.07Å; E126-K290 VanDerWaalsContact OE1-NZ 3.16Å; R286-K290 PolarHBondContact O-N 3.29Å; R286-K290 VanDerWaalsContact O-N 3.15Å; D287-K290 PolarHBondContact O-N 2.74Å; K290-Q293 PolarHBondContact O-N 3.32Å; K290-A294 VanDerWaalsContact O-CB 3.31Å; K290-A294 WeakPolarHBondContact O-CB 3.44Å; K290-A294 PolarHBondContact O-N 2.96Å; K290-Y320 HydrophobicContact CB-CE2 4.2Å; K290-Y320 WeakPolarHBondContact O-CE2 3.33Å
291T94.9Very high89.3Confident3 Ų361.8 Ų61.82%0.01831%0.313CS..Hα-helixtrans-60.1-48.4173.3-71.70000111.3H125 F280 D287 K288 L289 Q293 A294 R295H125-T291 PolarHBondContact NE2-OG1 2.86Å; F280-T291 HydrophobicContact CB-CG2 3.91Å; F280-T291 WeakPolarHBondContact CB-OG1 3.46Å; F280-T291 HydrophobicContact CD1-CG2 4.47Å; F280-T291 HydrophobicContact CD2-CG2 3.63Å; F280-T291 HydrophobicContact CE2-CG2 4.23Å; F280-T291 HydrophobicContact CG-CG2 3.75Å; D287-T291 VanDerWaalsContact O-CB 3.23Å; D287-T291 WeakPolarHBondContact O-CB 3.49Å; D287-T291 PolarHBondContact O-N 3.43Å; D287-T291 PolarHBondContact O-OG1 3.32Å; K288-T291 PolarHBondContact O-N 2.84Å; L289-T291 VanDerWaalsContact C-N 3.31Å; L289-T291 PolarHBondContact O-N 3.27Å; T291-Q293 VanDerWaalsContact C-N 3.34Å; T291-Q293 PolarHBondContact O-N 2.96Å; T291-A294 PolarHBondContact O-N 3.34Å; T291-R295 WeakPolarHBondContact O-CB 3.36Å; T291-R295 PolarHBondContact O-N 2.85Å
292S95.5Very high90Very high67 Ų6760.3 Ų60.347%0.46930%0.303SS..Hα-helixtrans-61.1-42.5175.5177.30000111.8K288 L289 R295 D296K288-S292 PolarHBondContact O-N 2.94Å; L289-S292 PolarHBondContact O-N 3.07Å; S292-R295 PolarHBondContact O-N 3.23Å; S292-D296 WeakPolarHBondContact O-CB 3.49Å; S292-D296 PolarHBondContact O-N 3.48Å
293Q97.4Very high91Very high46 Ų4658.5 Ų58.522%0.21529%0.289CS..Hα-helixtrans-66.1-38.9176.5-68.5172.9-13.300112.5L289 K290 T291 D296 L297 H318 P319 Y320L289-Q293 HydrophobicContact CD1-CG 4.42Å; L289-Q293 VanDerWaalsContact O-CG 3.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.15Å; L289-Q293 PolarHBondContact O-N 3.13Å; K290-Q293 PolarHBondContact O-N 3.32Å; T291-Q293 VanDerWaalsContact C-N 3.34Å; T291-Q293 PolarHBondContact O-N 2.96Å; Q293-D296 PolarHBondContact O-N 3.27Å; Q293-L297 PolarHBondContact O-N 2.93Å; Q293-H318 PolarHBondContact O-CE1 3.49Å; Q293-P319 HydrophobicContact CG-CB 4.23Å; Q293-Y320 HydrophobicContact CB-CD2 4.01Å; Q293-Y320 HydrophobicContact CB-CG 4.42Å
294A97.6Very high92.4Very high0 Ų049.9 Ų49.90%025%0.25CC..Hα-helixtrans-64.7-45.5177.200000111.1M215 F280 K290 T291 L297 L298 Y320M215-A294 HydrophobicContact CE-CB 3.8Å; M215-A294 VanDerWaalsContact CE-O 3.22Å; M215-A294 WeakPolarHBondContact CE-O 3.31Å; F280-A294 HydrophobicContact CD1-CB 4.14Å; F280-A294 HydrophobicContact CE1-CB 3.65Å; K290-A294 VanDerWaalsContact O-CB 3.31Å; K290-A294 WeakPolarHBondContact O-CB 3.44Å; K290-A294 PolarHBondContact O-N 2.96Å; T291-A294 PolarHBondContact O-N 3.34Å; A294-L297 PolarHBondContact O-N 2.97Å; A294-L298 PolarHBondContact O-N 3.21Å; A294-Y320 HydrophobicContact CB-CD1 4.33Å; A294-Y320 HydrophobicContact CB-CD2 4.04Å; A294-Y320 HydrophobicContact CB-CE1 3.97Å; A294-Y320 HydrophobicContact CB-CE2 3.67Å; A294-Y320 HydrophobicContact CB-CG 4.36Å
295R97.9Very high93.4Very high20 Ų2048.1 Ų48.18%0.07524%0.236CC..Hα-helixtrans-62.9-42.1175.1-174.3-177-62.6113.88.4112.3F271 F275 D277 F280 T291 S292 L298 S299F271-R295 HydrophobicContact CB-CG 3.97Å; F275-R295 VanDerWaalsContact O-CZ 3.29Å; F275-R295 PolarHBondContact O-NE 3.01Å; F275-R295 PolarHBondContact O-NH2 3.23Å; D277-R295 IonicContact OD1-CZ 2.66Å; D277-R295 VanDerWaalsContact OD1-CZ 3.29Å; D277-R295 IonicContact OD1-NH1 2.78Å; D277-R295 PolarHBondContact OD1-NH1 3.44Å; D277-R295 IonicContact OD1-NH2 3.58Å; D277-R295 PolarHBondContact OD1-NH2 2.93Å; F280-R295 HydrophobicContact CZ-CB 4.28Å; T291-R295 WeakPolarHBondContact O-CB 3.36Å; T291-R295 PolarHBondContact O-N 2.85Å; S292-R295 PolarHBondContact O-N 3.23Å; R295-L298 WeakPolarHBondContact O-CB 3.36Å; R295-L298 PolarHBondContact O-N 3.39Å; R295-S299 PolarHBondContact O-N 2.86Å
296D98.6Very high94.6Very high62 Ų6242.8 Ų42.833%0.33221%0.208SC..Hα-helixtrans-60.4-45175.6-179.547.7000111S292 Q293 L298 S299 K300 H318S292-D296 WeakPolarHBondContact O-CB 3.49Å; S292-D296 PolarHBondContact O-N 3.48Å; Q293-D296 PolarHBondContact O-N 3.27Å; D296-L298 PolarHBondContact O-N 3.48Å; D296-S299 PolarHBondContact O-N 3.28Å; D296-S299 PolarHBondContact O-OG 2.97Å; D296-K300 VanDerWaalsContact CG-NZ 3.28Å; D296-K300 WeakPolarHBondContact O-CG 3.41Å; D296-K300 PolarHBondContact O-N 3.49Å; D296-K300 WeakPolarHBondContact OD1-CE 3.41Å; D296-K300 IonicContact OD1-NZ 3.38Å; D296-K300 PolarHBondContact OD1-NZ 3.29Å; D296-K300 WeakPolarHBondContact OD2-CE 3.45Å; D296-K300 IonicContact OD2-NZ 2.69Å; D296-K300 PolarHBondContact OD2-NZ 2.7Å; D296-H318 IonicContact OD2-CE1 2.66Å; D296-H318 IonicContact OD2-NE2 2.86Å; D296-H318 PolarHBondContact OD2-NE2 3.2Å
297L98.8Very high95.7Very high0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-60.1-46.6174.6-173.156.9000112.2L132 M215 Q293 A294 S299 K300 M301 I310 A315 H318 Y320 I321L132-L297 HydrophobicContact CD1-CD2 4.43Å; M215-L297 HydrophobicContact CE-CB 4.36Å; M215-L297 HydrophobicContact CE-CD2 4.3Å; M215-L297 HydrophobicContact SD-CD2 4.07Å; M215-L297 HydrophobicContact SD-CG 4.24Å; Q293-L297 PolarHBondContact O-N 2.93Å; A294-L297 PolarHBondContact O-N 2.97Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 3.31Å; L297-K300 PolarHBondContact O-N 2.95Å; L297-K300 VanDerWaalsContact O-N 3.1Å; L297-M301 HydrophobicContact CD1-CE 3.73Å; L297-M301 HydrophobicContact CD1-CG 4.24Å; L297-M301 HydrophobicContact CD1-SD 4.37Å; L297-M301 HydrophobicContact CD2-CE 3.98Å; L297-M301 HydrophobicContact CG-CE 3.82Å; L297-M301 HydrophobicContact CG-CG 4.36Å; L297-M301 HydrophobicContact CG-SD 4.06Å; L297-M301 WeakPolarHBondContact O-CG 3.2Å; L297-M301 PolarHBondContact O-N 3.34Å; L297-I310 HydrophobicContact CD1-CD1 4.34Å; L297-A315 HydrophobicContact CD1-CB 4.49Å; L297-H318 HydrophobicContact CD1-CB 3.93Å; L297-Y320 HydrophobicContact CD2-CD1 4Å; L297-I321 HydrophobicContact CD2-CD1 3.83Å; L297-I321 HydrophobicContact CD2-CG1 3.62Å
298L98.6Very high96.4Very high0 Ų042.2 Ų42.20%022%0.215CC..Hα-helixtrans-54.9-43.8174.9-82165.3000111.6M215 F271 F275 F280 A294 R295 D296 K300 M301 L302M215-L298 HydrophobicContact CB-CD2 3.84Å; M215-L298 HydrophobicContact CE-CD1 4.28Å; M215-L298 HydrophobicContact CE-CG 3.9Å; M215-L298 HydrophobicContact CG-CD2 3.73Å; M215-L298 HydrophobicContact CG-CG 4.05Å; M215-L298 HydrophobicContact SD-CD2 3.87Å; M215-L298 HydrophobicContact SD-CG 3.74Å; F271-L298 HydrophobicContact CD1-CB 4.15Å; F271-L298 HydrophobicContact CE1-CB 4.07Å; F275-L298 HydrophobicContact CD1-CD1 3.91Å; F275-L298 HydrophobicContact CD2-CD1 4.08Å; F275-L298 HydrophobicContact CE1-CD1 4.01Å; F275-L298 HydrophobicContact CE2-CB 4.45Å; F275-L298 HydrophobicContact CE2-CD1 4.16Å; F275-L298 HydrophobicContact CG-CD1 3.95Å; F275-L298 HydrophobicContact CZ-CD1 4.13Å; F275-L298 HydrophobicContact CZ-CD2 4.21Å; F280-L298 HydrophobicContact CE1-CD1 4.46Å; F280-L298 HydrophobicContact CZ-CD1 4.16Å; A294-L298 PolarHBondContact O-N 3.21Å; R295-L298 WeakPolarHBondContact O-CB 3.36Å; R295-L298 PolarHBondContact O-N 3.39Å; D296-L298 PolarHBondContact O-N 3.48Å; L298-K300 PolarHBondContact O-N 3.18Å; L298-M301 PolarHBondContact O-N 3.48Å; L298-L302 HydrophobicContact CD2-CD1 4.16Å; L298-L302 WeakPolarHBondContact O-CB 3.39Å; L298-L302 PolarHBondContact O-N 3.3Å
299S98.5Very high97Very high38 Ų3836.8 Ų36.827%0.26619%0.19SC..Hα-helixtrans-64.4-27.918082.70000113.8F271 R295 D296 L297 V303F271-S299 VanDerWaalsContact CE1-CA 3.42Å; R295-S299 PolarHBondContact O-N 2.86Å; D296-S299 PolarHBondContact O-N 3.28Å; D296-S299 PolarHBondContact O-OG 2.97Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 3.31Å; S299-V303 WeakPolarHBondContact O-CG2 3.18Å
300K98.8Very high97.3Very high74 Ų7432.5 Ų32.532%0.32217%0.168SC..Hα-helixtrans-87.4-27.6178.1-69.1175.1-171.1159.10113.1D296 L297 L298 V303 I310 H318D296-K300 VanDerWaalsContact CG-NZ 3.28Å; D296-K300 WeakPolarHBondContact O-CG 3.41Å; D296-K300 PolarHBondContact O-N 3.49Å; D296-K300 WeakPolarHBondContact OD1-CE 3.41Å; D296-K300 IonicContact OD1-NZ 3.38Å; D296-K300 PolarHBondContact OD1-NZ 3.29Å; D296-K300 WeakPolarHBondContact OD2-CE 3.45Å; D296-K300 IonicContact OD2-NZ 2.69Å; D296-K300 PolarHBondContact OD2-NZ 2.7Å; L297-K300 PolarHBondContact O-N 2.95Å; L297-K300 VanDerWaalsContact O-N 3.1Å; L298-K300 PolarHBondContact O-N 3.18Å; K300-V303 WeakPolarHBondContact O-CG2 3.47Å; K300-I310 HydrophobicContact CB-CB 3.99Å; K300-I310 HydrophobicContact CB-CD1 4.13Å; K300-I310 HydrophobicContact CB-CG2 4.07Å; K300-I310 HydrophobicContact CD-CD1 4.1Å; K300-I310 VanDerWaalsContact O-CG2 3.31Å; K300-I310 WeakPolarHBondContact O-CG2 3.32Å; K300-I310 PolarHBondContact O-N 3.1Å; K300-I310 VanDerWaalsContact O-N 3.11Å; K300-H318 PolarHBondContact NZ-NE2 2.83Å
301M98.6Very high97.5Very high0 Ų031.9 Ų31.90%017%0.171CC..Hα-helixtrans-83.4-44.6176.5-66.9-175.2164.400112.5L136 I208 V211 M215 L297 L298 V303 R309 I310 A315L136-M301 HydrophobicContact CD1-CE 4.36Å; L136-M301 HydrophobicContact CD2-CE 4.3Å; I208-M301 HydrophobicContact CG2-CB 3.95Å; I208-M301 HydrophobicContact CG2-CG 3.78Å; V211-M301 HydrophobicContact CB-SD 4.47Å; V211-M301 HydrophobicContact CG1-CE 3.92Å; V211-M301 HydrophobicContact CG1-SD 3.92Å; M215-M301 HydrophobicContact SD-SD 4.46Å; L297-M301 HydrophobicContact CD1-CE 3.73Å; L297-M301 HydrophobicContact CD1-CG 4.24Å; L297-M301 HydrophobicContact CD1-SD 4.37Å; L297-M301 HydrophobicContact CD2-CE 3.98Å; L297-M301 HydrophobicContact CG-CE 3.82Å; L297-M301 HydrophobicContact CG-CG 4.36Å; L297-M301 HydrophobicContact CG-SD 4.06Å; L297-M301 WeakPolarHBondContact O-CG 3.2Å; L297-M301 PolarHBondContact O-N 3.34Å; L298-M301 PolarHBondContact O-N 3.48Å; M301-V303 PolarHBondContact O-N 3.43Å; M301-R309 WeakPolarHBondContact O-CD 3.48Å; M301-R309 WeakPolarHBondContact O-CG 3.32Å; M301-I310 HydrophobicContact CG-CG2 3.86Å; M301-A315 HydrophobicContact CE-CB 3.92Å
302L98.5Very high97.7Very high4 Ų432.3 Ų32.32%0.02117%0.173CC..SBendtrans-8458.8-178.9-66.6-179000111.2W209 I224 F225 L241 F271 F275 L298W209-L302 HydrophobicContact CE3-CD2 4.48Å; I224-L302 HydrophobicContact CD1-CD1 4.16Å; F225-L302 HydrophobicContact CE2-CD2 3.99Å; F225-L302 HydrophobicContact CZ-CD2 4.49Å; L241-L302 HydrophobicContact CD1-CB 4.38Å; L241-L302 WeakPolarHBondContact CD1-O 3.08Å; F271-L302 HydrophobicContact CE1-CB 4.16Å; F271-L302 HydrophobicContact CE1-CD1 4.25Å; F271-L302 HydrophobicContact CZ-CB 3.9Å; F275-L302 HydrophobicContact CE2-CD1 4.22Å; F275-L302 HydrophobicContact CZ-CD1 3.98Å; L298-L302 HydrophobicContact CD2-CD1 4.16Å; L298-L302 WeakPolarHBondContact O-CB 3.39Å; L298-L302 PolarHBondContact O-N 3.3Å
303V98.2Very high97.8Very high31 Ų3132 Ų3219%0.18817%0.166CC..  trans-111.7125.2178.2-179.50000109.6S299 K300 M301 K308 R309S299-V303 WeakPolarHBondContact O-CG2 3.18Å; K300-V303 WeakPolarHBondContact O-CG2 3.47Å; M301-V303 PolarHBondContact O-N 3.43Å; V303-K308 HydrophobicContact CG1-CB 3.87Å; V303-R309 HydrophobicContact CB-CB 4.02Å; V303-R309 HydrophobicContact CB-CG 4.21Å; V303-R309 PolarHBondContact O-NE 3.49Å; V303-R309 PolarHBondContact O-NH2 2.78Å
304V97Very high97.8Very high14 Ų1434.8 Ų34.89%0.08518%0.179CC..SBendtrans-65.6-43.6-176173.50000112.2P194 W209 W234 V237 L241 P244 F248 P306 R309P194-V304 HydrophobicContact CB-CG1 4.11Å; P194-V304 HydrophobicContact CG-CB 4.46Å; P194-V304 HydrophobicContact CG-CG1 4.12Å; P194-V304 HydrophobicContact CG-CG2 4.47Å; W209-V304 HydrophobicContact CH2-CG2 4.45Å; W209-V304 HydrophobicContact CZ3-CG2 4.39Å; W234-V304 HydrophobicContact CH2-CG1 3.88Å; W234-V304 HydrophobicContact CZ3-CG1 4.06Å; V237-V304 HydrophobicContact CG1-CG2 3.93Å; L241-V304 HydrophobicContact CB-CG2 4.34Å; L241-V304 HydrophobicContact CD1-CG2 4.08Å; P244-V304 HydrophobicContact CB-CG1 3.95Å; P244-V304 HydrophobicContact CG-CG1 4.29Å; F248-V304 HydrophobicContact CE1-CG1 4.11Å; F248-V304 HydrophobicContact CE2-CG1 4.02Å; F248-V304 HydrophobicContact CZ-CG1 3.8Å; V304-P306 WeakPolarHBondContact O-CD 3.46Å; V304-R309 PolarHBondContact O-NH2 3.49Å
305D96.3Very high97.9Very high12 Ų1234.8 Ų34.86%0.06418%0.179CC..SBendtrans-79.5113.3179.3-170-5.1000110.1F248 K251 D307 K308 R309F248-D305 HydrophobicContact CD2-CB 3.94Å; K251-D305 IonicContact NZ-OD1 2.97Å; K251-D305 PolarHBondContact NZ-OD1 2.92Å; K251-D305 IonicContact NZ-OD2 3.97Å; K251-D305 PolarHBondContact NZ-OD2 3.28Å; D305-D307 PolarHBondContact O-N 2.95Å; D305-D307 PolarHBondContact OD1-N 2.96Å; D305-K308 HydrophobicContact CB-CB 4.39Å; D305-K308 HydrophobicContact CB-CD 4.23Å; D305-K308 HydrophobicContact CB-CG 4.3Å; D305-K308 PolarHBondContact O-N 2.89Å; D305-R309 PolarHBondContact O-N 3.44Å
306P96Very high97.9Very high11 Ų1134 Ų347%0.07118%0.176CC..G310 helixtrans-62.1-26.3-176.625.1-34.7000112.5N205 V304 K308 R309N205-P306 PolarHBondContact ND2-O 3.27Å; V304-P306 WeakPolarHBondContact O-CD 3.46Å; P306-K308 PolarHBondContact O-N 3.5Å; P306-R309 PolarHBondContact O-N 3.34Å
307D95.4Very high97.9Very high91 Ų9138.3 Ų38.349%0.48719%0.188SC..G310 helixtrans-74.6-10.2177.9-64.1-41.3000113.2K203 K251 D305K203-D307 IonicContact NZ-OD1 2.77Å; K203-D307 PolarHBondContact NZ-OD1 3.11Å; K251-D307 IonicContact NZ-OD2 3.79Å; K251-D307 PolarHBondContact NZ-OD2 3.12Å; D305-D307 PolarHBondContact O-N 2.95Å; D305-D307 PolarHBondContact OD1-N 2.96Å
308K96.9Very high97.9Very high132 Ų13238.7 Ų38.757%0.57419%0.19SC*.G310 helixtrans-110.1-7.2176.1-61-179.7-174.3174.80112.8V303 D305 P306V303-K308 HydrophobicContact CG1-CB 3.87Å; D305-K308 HydrophobicContact CB-CB 4.39Å; D305-K308 HydrophobicContact CB-CD 4.23Å; D305-K308 HydrophobicContact CB-CG 4.3Å; D305-K308 PolarHBondContact O-N 2.89Å; P306-K308 PolarHBondContact O-N 3.5Å
309R98.4Very high97.8Very high9 Ų941.7 Ų41.73%0.03421%0.209CC..SBendtrans-78.8137-179.5-168.7-175-56.4144.95109.4E195 N205 I208 M301 V303 V304 D305 P306E195-R309 IonicContact OE1-CZ 2.88Å; E195-R309 IonicContact OE1-NH1 2.81Å; E195-R309 PolarHBondContact OE1-NH1 2.68Å; E195-R309 IonicContact OE1-NH2 3.7Å; E195-R309 PolarHBondContact OE1-NH2 3.14Å; E195-R309 IonicContact OE2-CZ 3.73Å; E195-R309 IonicContact OE2-NH1 3.46Å; E195-R309 IonicContact OE2-NH2 2.7Å; E195-R309 PolarHBondContact OE2-NH2 2.74Å; N205-R309 PolarHBondContact ND2-O 3.35Å; N205-R309 WeakPolarHBondContact O-CD 3.27Å; N205-R309 PolarHBondContact O-NH1 3.4Å; I208-R309 HydrophobicContact CG2-CG 4.04Å; M301-R309 WeakPolarHBondContact O-CD 3.48Å; M301-R309 WeakPolarHBondContact O-CG 3.32Å; V303-R309 HydrophobicContact CB-CB 4.02Å; V303-R309 HydrophobicContact CB-CG 4.21Å; V303-R309 PolarHBondContact O-NE 3.49Å; V303-R309 PolarHBondContact O-NH2 2.78Å; V304-R309 PolarHBondContact O-NH2 3.49Å; D305-R309 PolarHBondContact O-N 3.44Å; P306-R309 PolarHBondContact O-N 3.34Å
310I98.6Very high97.8Very high16 Ų1640.1 Ų40.18%0.08220%0.197CC..PPolyproline II helixtrans-53.8140.4177.9-163.8171.8000111.4I208 L297 K300 M301 E314 A315I208-I310 HydrophobicContact CG2-CG2 3.73Å; L297-I310 HydrophobicContact CD1-CD1 4.34Å; K300-I310 HydrophobicContact CB-CB 3.99Å; K300-I310 HydrophobicContact CB-CD1 4.13Å; K300-I310 HydrophobicContact CB-CG2 4.07Å; K300-I310 HydrophobicContact CD-CD1 4.1Å; K300-I310 VanDerWaalsContact O-CG2 3.31Å; K300-I310 WeakPolarHBondContact O-CG2 3.32Å; K300-I310 PolarHBondContact O-N 3.1Å; K300-I310 VanDerWaalsContact O-N 3.11Å; M301-I310 HydrophobicContact CG-CG2 3.86Å; I310-E314 HydrophobicContact CD1-CB 3.87Å; I310-E314 HydrophobicContact CG1-CB 3.37Å; I310-A315 HydrophobicContact CD1-CB 4.17Å; I310-A315 HydrophobicContact CG1-CB 4.46Å; I310-A315 HydrophobicContact CG2-CB 4.48Å
311S98.2Very high97.8Very high40 Ų4036.6 Ų36.628%0.2818%0.182SC..PPolyproline II helixtrans-77.5166.5171.864.40000111.8D313 E314 A315S311-D313 VanDerWaalsContact C-N 3.3Å; S311-D313 PolarHBondContact O-N 3.35Å; S311-E314 WeakPolarHBondContact CB-OE2 3.36Å; S311-E314 PolarHBondContact N-OE2 2.69Å; S311-E314 PolarHBondContact O-N 3.37Å; S311-E314 WeakPolarHBondContact OG-CB 3.35Å; S311-E314 WeakPolarHBondContact OG-CG 3.12Å; S311-E314 PolarHBondContact OG-N 2.93Å; S311-E314 PolarHBondContact OG-OE2 2.89Å; S311-A315 WeakPolarHBondContact O-CB 3.45Å; S311-A315 PolarHBondContact O-N 3.09Å
312V97.8Very high97.7Very high12 Ų1239.6 Ų39.67%0.07320%0.2CC..Hα-helixtrans-60.3-41.9174.8-178.80000111.6L136 I139 K140 H143 I208 A315 L316L136-V312 HydrophobicContact CD2-CG1 4.3Å; I139-V312 HydrophobicContact CG2-CG2 3.86Å; K140-V312 HydrophobicContact CB-CG1 3.77Å; K140-V312 HydrophobicContact CG-CG1 4.49Å; H143-V312 WeakPolarHBondContact ND1-CG2 3.45Å; I208-V312 HydrophobicContact CD1-CB 4.4Å; I208-V312 HydrophobicContact CD1-CG2 3.83Å; I208-V312 HydrophobicContact CG1-CG2 3.86Å; V312-A315 PolarHBondContact O-N 2.99Å; V312-L316 HydrophobicContact CG1-CD1 4.19Å; V312-L316 WeakPolarHBondContact O-CG 3.42Å; V312-L316 PolarHBondContact O-N 3.28Å
313D97.3Very high97.7Very high60 Ų6044.3 Ų44.332%0.32123%0.229SC..Hα-helixtrans-66.4-40.4-179.8-70.4-26.5000112.6K140 S311 R317K140-D313 WeakPolarHBondContact CE-OD1 3.41Å; K140-D313 IonicContact NZ-OD1 2.9Å; K140-D313 PolarHBondContact NZ-OD1 3.23Å; K140-D313 IonicContact NZ-OD2 3.34Å; S311-D313 VanDerWaalsContact C-N 3.3Å; S311-D313 PolarHBondContact O-N 3.35Å; D313-R317 WeakPolarHBondContact O-CG 3.17Å; D313-R317 PolarHBondContact O-N 3.35Å
314E98.3Very high97.7Very high105 Ų10547 Ų4749%0.49124%0.236SC..Hα-helixtrans-68.6-36.9174.9-70.2164.1142.700111.5I310 S311 R317 H318I310-E314 HydrophobicContact CD1-CB 3.87Å; I310-E314 HydrophobicContact CG1-CB 3.37Å; S311-E314 WeakPolarHBondContact CB-OE2 3.36Å; S311-E314 PolarHBondContact N-OE2 2.69Å; S311-E314 PolarHBondContact O-N 3.37Å; S311-E314 WeakPolarHBondContact OG-CB 3.35Å; S311-E314 WeakPolarHBondContact OG-CG 3.12Å; S311-E314 PolarHBondContact OG-N 2.93Å; S311-E314 PolarHBondContact OG-OE2 2.89Å; E314-R317 CarbonylContact O-C 3.52Å; E314-R317 PolarHBondContact O-N 3.18Å; E314-H318 PolarHBondContact O-N 2.75Å; E314-H318 VanDerWaalsContact O-N 3.11Å
315A98.6Very high97.7Very high0 Ų049.6 Ų49.60%025%0.245CC..Hα-helixtrans-65.4-39.9176.100000112.2L136 I208 L297 M301 I310 S311 V312 R317 H318 I321L136-A315 HydrophobicContact CD1-CB 3.89Å; L136-A315 HydrophobicContact CD2-CB 3.94Å; I208-A315 HydrophobicContact CD1-CB 4.24Å; L297-A315 HydrophobicContact CD1-CB 4.49Å; M301-A315 HydrophobicContact CE-CB 3.92Å; I310-A315 HydrophobicContact CD1-CB 4.17Å; I310-A315 HydrophobicContact CG1-CB 4.46Å; I310-A315 HydrophobicContact CG2-CB 4.48Å; S311-A315 WeakPolarHBondContact O-CB 3.45Å; S311-A315 PolarHBondContact O-N 3.09Å; V312-A315 PolarHBondContact O-N 2.99Å; A315-R317 VanDerWaalsContact C-N 3.28Å; A315-R317 PolarHBondContact O-N 2.72Å; A315-H318 WeakPolarHBondContact O-CB 3.46Å; A315-H318 PolarHBondContact O-N 3.4Å; A315-H318 VanDerWaalsContact O-N 3.13Å; A315-I321 WeakPolarHBondContact O-CB 3.45Å
316L98.3Very high97.7Very high2 Ų252.1 Ų52.11%0.0126%0.259CS..Hα-helixtrans-63.7-32.7174.6-77.6167.5000112.8Y133 L136 K140 V312 H318 I321 T322 Y325 A330Y133-L316 HydrophobicContact CD2-CD2 3.76Å; Y133-L316 HydrophobicContact CE2-CD2 3.9Å; L136-L316 HydrophobicContact CB-CD2 3.58Å; L136-L316 HydrophobicContact CB-CG 3.93Å; L136-L316 HydrophobicContact CD1-CD2 4.31Å; L136-L316 HydrophobicContact CD1-CG 4.48Å; K140-L316 HydrophobicContact CB-CD1 4.38Å; K140-L316 HydrophobicContact CD-CD1 3.49Å; K140-L316 VanDerWaalsContact CD-CD1 3.49Å; V312-L316 HydrophobicContact CG1-CD1 4.19Å; V312-L316 WeakPolarHBondContact O-CG 3.42Å; V312-L316 PolarHBondContact O-N 3.28Å; L316-H318 VanDerWaalsContact C-N 3.31Å; L316-I321 HydrophobicContact CD2-CG2 4.32Å; L316-T322 WeakPolarHBondContact O-CA 3.42Å; L316-Y325 HydrophobicContact CB-CD2 4.31Å; L316-Y325 HydrophobicContact CB-CE2 4.41Å; L316-A330 HydrophobicContact CD1-CB 4.32Å
317R98.3Very high97.6Very high154 Ų15454.9 Ų54.958%0.58128%0.276SS*.THydrogen-bonded Turntrans-85.6-0.7175.6-63.8-179.1-161.8116.42.5113.5D313 E314 A315D313-R317 WeakPolarHBondContact O-CG 3.17Å; D313-R317 PolarHBondContact O-N 3.35Å; E314-R317 CarbonylContact O-C 3.52Å; E314-R317 PolarHBondContact O-N 3.18Å; A315-R317 VanDerWaalsContact C-N 3.28Å; A315-R317 PolarHBondContact O-N 2.72Å
318H98.7Very high97.5Very high7 Ų754.2 Ų54.23%0.03228%0.283CS..SBendtrans-65141.1-179.9-165.6-94000110.8Q293 D296 L297 K300 E314 A315 L316 Y320 I321 T322Q293-H318 PolarHBondContact O-CE1 3.49Å; D296-H318 IonicContact OD2-CE1 2.66Å; D296-H318 IonicContact OD2-NE2 2.86Å; D296-H318 PolarHBondContact OD2-NE2 3.2Å; L297-H318 HydrophobicContact CD1-CB 3.93Å; K300-H318 PolarHBondContact NZ-NE2 2.83Å; E314-H318 PolarHBondContact O-N 2.75Å; E314-H318 VanDerWaalsContact O-N 3.11Å; A315-H318 WeakPolarHBondContact O-CB 3.46Å; A315-H318 PolarHBondContact O-N 3.4Å; A315-H318 VanDerWaalsContact O-N 3.13Å; L316-H318 VanDerWaalsContact C-N 3.31Å; H318-Y320 PolarHBondContact ND1-N 2.77Å; H318-Y320 PolarHBondContact O-N 2.86Å; H318-I321 HydrophobicContact CB-CG1 4.44Å; H318-I321 PolarHBondContact O-N 3.14Å; H318-T322 WeakPolarHBondContact O-CB 3.45Å; H318-T322 PolarHBondContact O-N 3.17Å
319P98.1Very high97.4Very high63 Ų6349.9 Ų49.941%0.40927%0.265SS..THydrogen-bonded Turntrans-53.1-31.6-178.9-30.336.2000115.1Q293 I321Q293-P319 HydrophobicContact CG-CB 4.23Å; P319-I321 VanDerWaalsContact C-N 3.31Å; P319-I321 PolarHBondContact O-N 3.11Å
320Y98.1Very high97.1Very high5 Ų549.7 Ų49.72%0.0227%0.265CS..THydrogen-bonded Turntrans-69.7-25176.4-164-117.4000113.9H125 M128 S129 L132 M215 K290 Q293 A294 L297 H318H125-Y320 HydrophobicContact CB-CE2 4.27Å; H125-Y320 AromaticContact ND1-CE2 3.53Å; H125-Y320 AromaticContact ND1-CZ 3.63Å; H125-Y320 PolarHBondContact ND1-OH 2.99Å; M128-Y320 PolarHBondContact SD-OH 3.04Å; S129-Y320 WeakPolarHBondContact CB-O 3.42Å; L132-Y320 HydrophobicContact CD1-CD1 4.14Å; L132-Y320 HydrophobicContact CD1-CE1 3.83Å; M215-Y320 HydrophobicContact CE-CD1 4.08Å; M215-Y320 HydrophobicContact CE-CE1 3.81Å; K290-Y320 HydrophobicContact CB-CE2 4.2Å; K290-Y320 WeakPolarHBondContact O-CE2 3.33Å; Q293-Y320 HydrophobicContact CB-CD2 4.01Å; Q293-Y320 HydrophobicContact CB-CG 4.42Å; A294-Y320 HydrophobicContact CB-CD1 4.33Å; A294-Y320 HydrophobicContact CB-CD2 4.04Å; A294-Y320 HydrophobicContact CB-CE1 3.97Å; A294-Y320 HydrophobicContact CB-CE2 3.67Å; A294-Y320 HydrophobicContact CB-CG 4.36Å; L297-Y320 HydrophobicContact CD2-CD1 4Å; H318-Y320 PolarHBondContact ND1-N 2.77Å; H318-Y320 PolarHBondContact O-N 2.86Å
321I98.4Very high96.8Very high0 Ų054.6 Ų54.60%029%0.288CS..THydrogen-bonded Turntrans-111.2-37.4-171.7-58-58.6000111.7L132 Y133 L136 L297 A315 L316 H318 P319 V323 W324L132-I321 HydrophobicContact CB-CD1 3.58Å; L132-I321 HydrophobicContact CD1-CD1 3.97Å; L132-I321 HydrophobicContact CG-CD1 4.45Å; Y133-I321 HydrophobicContact CD2-CG2 3.92Å; Y133-I321 HydrophobicContact CG-CG2 4.45Å; L136-I321 HydrophobicContact CD1-CG1 4.22Å; L136-I321 HydrophobicContact CD1-CG2 4.02Å; L297-I321 HydrophobicContact CD2-CD1 3.83Å; L297-I321 HydrophobicContact CD2-CG1 3.62Å; A315-I321 WeakPolarHBondContact O-CB 3.45Å; L316-I321 HydrophobicContact CD2-CG2 4.32Å; H318-I321 HydrophobicContact CB-CG1 4.44Å; H318-I321 PolarHBondContact O-N 3.14Å; P319-I321 VanDerWaalsContact C-N 3.31Å; P319-I321 PolarHBondContact O-N 3.11Å; I321-V323 PolarHBondContact O-N 3.27Å; I321-W324 PolarHBondContact O-N 2.66Å
322T97.4Very high96.5Very high63 Ų6353.7 Ų53.739%0.38728%0.283SS..G310 helixtrans-59.7-16.8-171.2-166.70000114.3L316 H318 W324 Y325L316-T322 WeakPolarHBondContact O-CA 3.42Å; H318-T322 WeakPolarHBondContact O-CB 3.45Å; H318-T322 PolarHBondContact O-N 3.17Å; T322-W324 PolarHBondContact O-N 2.86Å; T322-Y325 WeakPolarHBondContact O-CB 3.48Å; T322-Y325 PolarHBondContact O-N 3.34Å; T322-Y325 VanDerWaalsContact O-N 3.16Å
323V97Very high95.9Very high104 Ų10458.2 Ų58.263%0.6331%0.312SS*.G310 helixtrans-62.2-24.2174.8-59.80000112.7I321I321-V323 PolarHBondContact O-N 3.27Å
324W97.8Very high95.2Very high87 Ų8758.5 Ų58.533%0.3332%0.317SS..G310 helixtrans-99.6-1.3178.2-55.9113.3000113.2E126 S129 Y130 Y133 I321 T322 D326E126-W324 HydrophobicContact CB-CZ2 4.08Å; S129-W324 PolarHBondContact OG-NE1 2.81Å; Y130-W324 HydrophobicContact CD2-CB 4.39Å; Y130-W324 AromaticContact CD2-CD2 3.74Å; Y130-W324 HydrophobicContact CD2-CD2 3.74Å; Y130-W324 AromaticContact CD2-CE3 3.85Å; Y130-W324 HydrophobicContact CD2-CE3 3.85Å; Y130-W324 AromaticContact CD2-CG 3.97Å; Y130-W324 HydrophobicContact CD2-CG 3.97Å; Y130-W324 HydrophobicContact CD2-CZ3 4.42Å; Y130-W324 HydrophobicContact CE2-CE3 4.37Å; Y130-W324 HydrophobicContact CG-CD2 4.34Å; Y133-W324 HydrophobicContact CD1-CB 3.53Å; Y133-W324 HydrophobicContact CD1-CG 4.4Å; Y133-W324 HydrophobicContact CD2-CB 3.93Å; Y133-W324 HydrophobicContact CE1-CB 3.98Å; Y133-W324 VanDerWaalsContact CE1-O 3.27Å; Y133-W324 WeakPolarHBondContact CE1-O 3.33Å; Y133-W324 HydrophobicContact CE2-CB 4.36Å; Y133-W324 HydrophobicContact CG-CB 3.51Å; Y133-W324 HydrophobicContact CG-CG 4.33Å; Y133-W324 PolarHBondContact OH-O 3.07Å; I321-W324 PolarHBondContact O-N 2.66Å; T322-W324 PolarHBondContact O-N 2.86Å; W324-D326 PolarHBondContact O-N 3.44Å
325Y97.3Very high94Very high69 Ų6954.3 Ų54.327%0.27130%0.299SS..  trans-66110.7-168.7-175.9-91.6000111.9L316 T322 P327 A330 E331L316-Y325 HydrophobicContact CB-CD2 4.31Å; L316-Y325 HydrophobicContact CB-CE2 4.41Å; T322-Y325 WeakPolarHBondContact O-CB 3.48Å; T322-Y325 PolarHBondContact O-N 3.34Å; T322-Y325 VanDerWaalsContact O-N 3.16Å; Y325-P327 HydrophobicContact CD1-CG 4.46Å; Y325-P327 HydrophobicContact CE1-CG 3.91Å; Y325-A330 HydrophobicContact CD2-CB 4.16Å; Y325-A330 HydrophobicContact CE2-CB 3.61Å; Y325-E331 PolarHBondContact OH-OE1 3.25Å
326D96.9Very high92.6Very high65 Ų6560.7 Ų60.735%0.34833%0.329SS..  trans-111.3121166.2-172.7-18.1000110Y133 W324 A328 E329 A330Y133-D326 PolarHBondContact OH-N 2.86Å; Y133-D326 PolarHBondContact OH-O 3.24Å; W324-D326 PolarHBondContact O-N 3.44Å; D326-A328 VanDerWaalsContact C-N 3.26Å; D326-A328 PolarHBondContact O-N 3.39Å; D326-A328 WeakPolarHBondContact OD1-CB 3.39Å; D326-A328 PolarHBondContact OD1-N 3.34Å; D326-E329 HydrophobicContact CB-CB 4.27Å; D326-E329 HydrophobicContact CB-CG 3.83Å; D326-E329 PolarHBondContact O-N 2.87Å; D326-A330 WeakPolarHBondContact O-CB 3.38Å; D326-A330 PolarHBondContact O-N 2.82Å
327P94.6Very high91.1Very high69 Ų6962.7 Ų62.745%0.44834%0.339SS..Hα-helixtrans-56.4-35.3173.9-22.831.4000114Y325 E329 E331Y325-P327 HydrophobicContact CD1-CG 4.46Å; Y325-P327 HydrophobicContact CE1-CG 3.91Å; P327-E329 PolarHBondContact O-N 2.54Å; P327-E331 WeakPolarHBondContact O-CA 3.46Å; P327-E331 VanDerWaalsContact O-CB 3.26Å; P327-E331 WeakPolarHBondContact O-CB 3.42Å; P327-E331 PolarHBondContact O-N 3.45Å
328A93.6Very high89.1Confident76 Ų7664.6 Ų64.663%0.62835%0.348SS*.Hα-helixtrans-63.8-26.9-179.500000112.1D326D326-A328 VanDerWaalsContact C-N 3.26Å; D326-A328 PolarHBondContact O-N 3.39Å; D326-A328 WeakPolarHBondContact OD1-CB 3.39Å; D326-A328 PolarHBondContact OD1-N 3.34Å
329E93.8Very high87.4Confident42 Ų4265.6 Ų65.620%0.19635%0.353CS..Hα-helixtrans-93.1-51.5179.1-52.6-176.9166.600110.8H82 K83 Y133 D326 P327 E331H82-E329 PolarHBondContact NE2-O 3.06Å; H82-E329 VanDerWaalsContact NE2-O 3.11Å; K83-E329 HydrophobicContact CD-CG 4.5Å; K83-E329 WeakPolarHBondContact CE-OE1 3.47Å; K83-E329 WeakPolarHBondContact CE-OE2 3.15Å; K83-E329 IonicContact NZ-OE1 3.57Å; K83-E329 PolarHBondContact NZ-OE1 3.1Å; K83-E329 IonicContact NZ-OE2 2.96Å; K83-E329 PolarHBondContact NZ-OE2 3.03Å; Y133-E329 VanDerWaalsContact CE1-OE2 3.29Å; Y133-E329 WeakPolarHBondContact CE1-OE2 3.35Å; Y133-E329 PolarHBondContact OH-OE2 3.48Å; D326-E329 HydrophobicContact CB-CB 4.27Å; D326-E329 HydrophobicContact CB-CG 3.83Å; D326-E329 PolarHBondContact O-N 2.87Å; P327-E329 PolarHBondContact O-N 2.54Å; E329-E331 VanDerWaalsContact C-N 3.34Å; E329-E331 PolarHBondContact O-N 3.04Å
330A93Very high85.4Confident4 Ų466.5 Ų66.53%0.03337%0.367CS..Hα-helixtrans-69.9-30.8-176.200000112.9K140 L316 Y325 D326K140-A330 WeakPolarHBondContact CD-O 3.38Å; K140-A330 WeakPolarHBondContact CE-O 3.23Å; L316-A330 HydrophobicContact CD1-CB 4.32Å; Y325-A330 HydrophobicContact CD2-CB 4.16Å; Y325-A330 HydrophobicContact CE2-CB 3.61Å; D326-A330 WeakPolarHBondContact O-CB 3.38Å; D326-A330 PolarHBondContact O-N 2.82Å
331E92.1Very high83.4Confident120 Ų12071.1 Ų71.156%0.56139%0.388SS*.THydrogen-bonded Turntrans-111.321-176.5-49.9-171.2164.400112.4Y325 P327 E329Y325-E331 PolarHBondContact OH-OE1 3.25Å; P327-E331 WeakPolarHBondContact O-CA 3.46Å; P327-E331 VanDerWaalsContact O-CB 3.26Å; P327-E331 WeakPolarHBondContact O-CB 3.42Å; P327-E331 PolarHBondContact O-N 3.45Å; E329-E331 VanDerWaalsContact C-N 3.34Å; E329-E331 PolarHBondContact O-N 3.04Å
332A90.6Very high81.9Confident20 Ų2071.8 Ų71.817%0.16539%0.392CS..PPolyproline II helixtrans-52.2132.4174.900000110.7H141H141-A332 PolarHBondContact ND1-O 2.76Å
333P86.6Confident80.2Confident107 Ų10769.8 Ų69.870%0.69538%0.378SS*.PPolyproline II helixtrans-60.2138-171.223.4-33.6000111.4H141H141-P333 PolarHBondContact CE1-O 3.49Å
334P81.1Confident78.8Confident66 Ų6671.5 Ų71.543%0.42938%0.379SS..PPolyproline II helixtrans-63.8147.6-178.423.4-32.1000111.4S144 A145S144-P334 WeakPolarHBondContact O-CB 3.36Å; S144-P334 WeakPolarHBondContact OG-CB 3.26Å; A145-P334 HydrophobicContact CB-CB 4.41Å
335P73.4Confident77.6Confident18 Ų1871.4 Ų71.412%0.11738%0.379CS..PPolyproline II helixtrans-65.2138.9167.530.3-37.7000110C79 V80 H141 A145 I337C79-P335 HydrophobicContact CB-CB 4.32Å; C79-P335 WeakPolarHBondContact O-CB 3.38Å; V80-P335 HydrophobicContact CB-CG 4.44Å; V80-P335 HydrophobicContact CG2-CG 4.02Å; H141-P335 WeakPolarHBondContact NE2-CD 3.31Å; A145-P335 HydrophobicContact CB-CG 3.66Å; P335-I337 PolarHBondContact O-N 3.04Å; P335-I337 VanDerWaalsContact O-N 3.11Å
336Q69.6Low76.8Confident133 Ų13376 Ų7662%0.62140%0.403SS*.  trans-74.6102.8172.1-70.4-173.1100109.2Y338Q336-Y338 HydrophobicContact CB-CE1 4.33Å; Q336-Y338 HydrophobicContact CB-CE2 3.99Å; Q336-Y338 WeakPolarHBondContact O-CD2 3.28Å; Q336-Y338 PolarHBondContact O-N 2.86Å; Q336-Y338 VanDerWaalsContact OE1-CZ 3.29Å; Q336-Y338 PolarHBondContact OE1-OH 3.07Å
337I67.7Low76.2Confident44 Ų4475 Ų7523%0.22640%0.396CS..  trans-79.9101.2169.7-53.2-179.2000107.7L76 A145 I147 P335 D339L76-I337 HydrophobicContact CD2-CD1 4.27Å; A145-I337 HydrophobicContact CB-CD1 3.89Å; A145-I337 HydrophobicContact CB-CG1 4.27Å; A145-I337 WeakPolarHBondContact O-CD1 3.36Å; I147-I337 HydrophobicContact CD1-CD1 3.48Å; I147-I337 VanDerWaalsContact CD1-CD1 3.48Å; I147-I337 HydrophobicContact CG1-CD1 3.41Å; I147-I337 VanDerWaalsContact CG1-CD1 3.41Å; P335-I337 PolarHBondContact O-N 3.04Å; P335-I337 VanDerWaalsContact O-N 3.11Å; I337-D339 VanDerWaalsContact C-N 3.26Å; I337-D339 PolarHBondContact O-N 3.38Å
338Y55.8Low76Confident194 Ų19473.8 Ų73.876%0.76139%0.391SS*.  trans-70.4-19.6-177.7-69-76.4000113.9Q336Q336-Y338 HydrophobicContact CB-CE1 4.33Å; Q336-Y338 HydrophobicContact CB-CE2 3.99Å; Q336-Y338 WeakPolarHBondContact O-CD2 3.28Å; Q336-Y338 PolarHBondContact O-N 2.86Å; Q336-Y338 VanDerWaalsContact OE1-CZ 3.29Å; Q336-Y338 PolarHBondContact OE1-OH 3.07Å
339D62.5Low76Confident28 Ų2872.2 Ų72.215%0.1537%0.372CS..  trans-10975-176.8-160.21.8000112I337 Q341 L342 R345I337-D339 VanDerWaalsContact C-N 3.26Å; I337-D339 PolarHBondContact O-N 3.38Å; D339-Q341 PolarHBondContact O-N 2.99Å; D339-Q341 PolarHBondContact OD1-N 3.29Å; D339-L342 HydrophobicContact CB-CB 4.13Å; D339-L342 HydrophobicContact CB-CD1 4.44Å; D339-L342 VanDerWaalsContact O-CB 3.23Å; D339-L342 WeakPolarHBondContact O-CB 3.32Å; D339-L342 PolarHBondContact O-N 3.28Å; D339-L342 PolarHBondContact OD1-N 3.36Å; D339-R345 IonicContact OD1-CZ 3.8Å; D339-R345 IonicContact OD1-NH1 2.74Å; D339-R345 PolarHBondContact OD1-NH1 2.77Å; D339-R345 IonicContact OD1-NH2 3.29Å; D339-R345 PolarHBondContact OD1-NH2 3.14Å; D339-R345 IonicContact OD2-CZ 2.67Å; D339-R345 IonicContact OD2-NH1 3.32Å; D339-R345 PolarHBondContact OD2-NH1 2.86Å
340A56.3Low75.9Confident83 Ų8376 Ų7669%0.68639%0.39SS*.THydrogen-bonded Turntrans-58.1-16.6173.100000113.3
341Q55.7Low75.9Confident102 Ų10280.1 Ų80.148%0.47741%0.408SS..THydrogen-bonded Turntrans-97.33.2179-66.8-177.4-2100113.8D339 E343 E344 R345D339-Q341 PolarHBondContact O-N 2.99Å; D339-Q341 PolarHBondContact OD1-N 3.29Å; Q341-E343 PolarHBondContact O-N 2.66Å; Q341-E344 PolarHBondContact O-N 3.16Å; Q341-R345 HydrophobicContact CB-CG 4.5Å; Q341-R345 PolarHBondContact O-N 2.83Å
342L66.3Low75.9Confident13 Ų1374.6 Ų74.67%0.06838%0.382CS..THydrogen-bonded Turntrans-54-25.5-178.1-172138.6000112.8Y71 R72 V75 D339Y71-L342 HydrophobicContact CD1-CD1 4.15Å; Y71-L342 HydrophobicContact CD1-CG 4.43Å; Y71-L342 HydrophobicContact CE1-CD1 3.7Å; Y71-L342 HydrophobicContact CE1-CG 4.18Å; R72-L342 HydrophobicContact CB-CD2 3.86Å; R72-L342 HydrophobicContact CG-CD2 3.62Å; V75-L342 HydrophobicContact CB-CD1 3.85Å; V75-L342 HydrophobicContact CG1-CD1 3.64Å; V75-L342 HydrophobicContact CG2-CD1 4Å; D339-L342 HydrophobicContact CB-CB 4.13Å; D339-L342 HydrophobicContact CB-CD1 4.44Å; D339-L342 VanDerWaalsContact O-CB 3.23Å; D339-L342 WeakPolarHBondContact O-CB 3.32Å; D339-L342 PolarHBondContact O-N 3.28Å; D339-L342 PolarHBondContact OD1-N 3.36Å
343E63Low76.1Confident21 Ų2175.3 Ų75.310%0.09838%0.382CS..THydrogen-bonded Turntrans-90.5-32.1179.4-53.8-141.8121.500114.8K68 R72 R174 T175 T178 Q341K68-E343 PolarHBondContact NZ-O 2.87Å; R72-E343 IonicContact NH1-OE1 3.39Å; R174-E343 WeakPolarHBondContact CA-OE1 3.44Å; R174-E343 VanDerWaalsContact CB-OE1 3.28Å; R174-E343 WeakPolarHBondContact CB-OE1 3.43Å; R174-E343 WeakPolarHBondContact CD-OE1 3.4Å; T175-E343 WeakPolarHBondContact CA-OE2 3.44Å; T175-E343 VanDerWaalsContact CB-OE2 3.31Å; T175-E343 WeakPolarHBondContact CB-OE2 3.42Å; T175-E343 PolarHBondContact N-OE1 3.39Å; T175-E343 PolarHBondContact N-OE2 2.96Å; T175-E343 WeakPolarHBondContact OG1-CG 3.27Å; T178-E343 WeakPolarHBondContact CB-OE2 3.49Å; T178-E343 HydrophobicContact CG2-CB 3.89Å; T178-E343 HydrophobicContact CG2-CG 4.48Å; T178-E343 WeakPolarHBondContact CG2-OE2 3.12Å; T178-E343 PolarHBondContact OG1-OE2 3.21Å; Q341-E343 PolarHBondContact O-N 2.66Å
344E67.2Low76.5Confident141 Ų14175.4 Ų75.466%0.65937%0.373SS*.THydrogen-bonded Turntrans-83.1-22.7-172.9-66.3-178.8171.800112.2Q341 E346Q341-E344 PolarHBondContact O-N 3.16Å; E344-E346 PolarHBondContact O-N 3.08Å
345R73.4Confident77Confident85 Ų8574.7 Ų74.732%0.32137%0.365SS..  trans-72.1128.5179.1-64.7-178.8-168.7142.811.8111.4K68 D339 Q341 H347K68-R345 PolarHBondContact NZ-O 2.78Å; D339-R345 IonicContact OD1-CZ 3.8Å; D339-R345 IonicContact OD1-NH1 2.74Å; D339-R345 PolarHBondContact OD1-NH1 2.77Å; D339-R345 IonicContact OD1-NH2 3.29Å; D339-R345 PolarHBondContact OD1-NH2 3.14Å; D339-R345 IonicContact OD2-CZ 2.67Å; D339-R345 IonicContact OD2-NH1 3.32Å; D339-R345 PolarHBondContact OD2-NH1 2.86Å; Q341-R345 HydrophobicContact CB-CG 4.5Å; Q341-R345 PolarHBondContact O-N 2.83Å; R345-H347 WeakPolarHBondContact CB-NE2 3.3Å; R345-H347 WeakPolarHBondContact CD-NE2 3.25Å
346E79.2Confident78Confident165 Ų16573.9 Ų73.977%0.77136%0.36SS*.  trans-106.4127.5163-64.9-166.5161.300107.7E344E344-E346 PolarHBondContact O-N 3.08Å
347H84.8Confident79.2Confident44 Ų4469.5 Ų69.520%0.20434%0.338CS..  trans-128.3151.6-177.9-71.6-59.7000109.8R345 E351 W352R345-H347 WeakPolarHBondContact CB-NE2 3.3Å; R345-H347 WeakPolarHBondContact CD-NE2 3.25Å; H347-E351 WeakPolarHBondContact CA-OE2 3.43Å; H347-E351 HydrophobicContact CB-CB 3.87Å; H347-E351 VanDerWaalsContact CB-OE2 3.29Å; H347-E351 WeakPolarHBondContact CB-OE2 3.38Å; H347-E351 IonicContact CG-OE2 3.84Å; H347-E351 IonicContact ND1-OE2 2.67Å; H347-E351 PolarHBondContact ND1-OE2 3.4Å; H347-W352 HydrophobicContact CB-CD2 3.97Å; H347-W352 HydrophobicContact CB-CG 4.07Å; H347-W352 HydrophobicContact CB-CZ2 4.09Å; H347-W352 AromaticContact CD2-CH2 3.65Å; H347-W352 AromaticContact CD2-CZ2 3.69Å; H347-W352 AromaticContact CD2-CZ3 3.93Å; H347-W352 PolarHBondContact O-NE1 2.82Å
348A91.4Very high80.3Confident43 Ų4373.3 Ų73.336%0.35535%0.353SS..  trans-62.5161.5166.300000110.3E350 E351 W352A348-E350 PolarHBondContact O-N 2.86Å; A348-E351 HydrophobicContact CB-CG 4.26Å; A348-E351 PolarHBondContact N-OE2 2.99Å; A348-E351 PolarHBondContact O-N 3.44Å; A348-W352 VanDerWaalsContact O-CD1 3.31Å; A348-W352 PolarHBondContact O-N 2.76Å
349I92.3Very high82Confident43 Ų4366.2 Ų66.222%0.22133%0.327CS..Hα-helixtrans-60.7-37.5-178.8-65.3171.5000110.5F61 Q64 W352 K353F61-I349 HydrophobicContact CB-CG2 3.96Å; F61-I349 WeakPolarHBondContact O-CG2 3.35Å; Q64-I349 HydrophobicContact CG-CG1 3.81Å; I349-W352 WeakPolarHBondContact O-CB 3.42Å; I349-W352 PolarHBondContact O-N 3.03Å; I349-K353 WeakPolarHBondContact O-CB 3.49Å; I349-K353 PolarHBondContact O-N 2.78Å
350E92Very high83.5Confident122 Ų12264.9 Ų64.957%0.5732%0.319SS*.Hα-helixtrans-68.5-40.9-178.2-78.656.1-149.500111.1A348 K353 E354A348-E350 PolarHBondContact O-N 2.86Å; E350-K353 WeakPolarHBondContact O-CB 3.38Å; E350-K353 PolarHBondContact O-N 2.98Å; E350-E354 WeakPolarHBondContact O-CG 3.21Å; E350-E354 PolarHBondContact O-N 2.8Å
351E92.7Very high85.1Confident90 Ų9062.9 Ų62.942%0.42130%0.297SS..Hα-helixtrans-65.1-43172.5-67.7175.7161.800111.1H347 A348 K353 E354 L355H347-E351 WeakPolarHBondContact CA-OE2 3.43Å; H347-E351 HydrophobicContact CB-CB 3.87Å; H347-E351 VanDerWaalsContact CB-OE2 3.29Å; H347-E351 WeakPolarHBondContact CB-OE2 3.38Å; H347-E351 IonicContact CG-OE2 3.84Å; H347-E351 IonicContact ND1-OE2 2.67Å; H347-E351 PolarHBondContact ND1-OE2 3.4Å; A348-E351 HydrophobicContact CB-CG 4.26Å; A348-E351 PolarHBondContact N-OE2 2.99Å; A348-E351 PolarHBondContact O-N 3.44Å; E351-K353 VanDerWaalsContact C-N 3.28Å; E351-K353 PolarHBondContact O-N 3.26Å; E351-E354 WeakPolarHBondContact O-CB 3.41Å; E351-E354 PolarHBondContact O-N 3.38Å; E351-L355 VanDerWaalsContact O-CG 3.31Å; E351-L355 WeakPolarHBondContact O-CG 3.34Å; E351-L355 PolarHBondContact O-N 3.33Å
352W93Very high86.7Confident5 Ų560.3 Ų60.32%0.01929%0.286CS..Hα-helixtrans-61.9-38.8172.9-78.2121.9000112.2A67 K68 Y71 H347 A348 I349 L355 I356A67-W352 HydrophobicContact CB-CB 3.58Å; A67-W352 HydrophobicContact CB-CG 3.82Å; K68-W352 HydrophobicContact CB-CD2 4.46Å; K68-W352 HydrophobicContact CB-CH2 4.43Å; K68-W352 HydrophobicContact CB-CZ2 3.8Å; K68-W352 HydrophobicContact CD-CH2 4.4Å; K68-W352 HydrophobicContact CD-CZ2 3.77Å; K68-W352 HydrophobicContact CG-CH2 3.99Å; K68-W352 HydrophobicContact CG-CZ2 3.62Å; Y71-W352 HydrophobicContact CD1-CE3 4.03Å; Y71-W352 HydrophobicContact CD1-CH2 4.28Å; Y71-W352 AromaticContact CD1-CZ3 3.37Å; Y71-W352 HydrophobicContact CD1-CZ3 3.37Å; Y71-W352 AromaticContact CE1-CZ3 3.89Å; Y71-W352 HydrophobicContact CE1-CZ3 3.89Å; Y71-W352 AromaticContact CG-CE3 3.89Å; Y71-W352 HydrophobicContact CG-CE3 3.89Å; Y71-W352 AromaticContact CG-CZ3 3.73Å; Y71-W352 HydrophobicContact CG-CZ3 3.73Å; H347-W352 HydrophobicContact CB-CD2 3.97Å; H347-W352 HydrophobicContact CB-CG 4.07Å; H347-W352 HydrophobicContact CB-CZ2 4.09Å; H347-W352 AromaticContact CD2-CH2 3.65Å; H347-W352 AromaticContact CD2-CZ2 3.69Å; H347-W352 AromaticContact CD2-CZ3 3.93Å; H347-W352 PolarHBondContact O-NE1 2.82Å; A348-W352 VanDerWaalsContact O-CD1 3.31Å; A348-W352 PolarHBondContact O-N 2.76Å; I349-W352 WeakPolarHBondContact O-CB 3.42Å; I349-W352 PolarHBondContact O-N 3.03Å; W352-L355 HydrophobicContact CE3-CD1 3.81Å; W352-L355 HydrophobicContact CZ3-CD1 3.88Å; W352-L355 PolarHBondContact O-N 2.77Å; W352-I356 WeakPolarHBondContact O-CB 3.37Å; W352-I356 VanDerWaalsContact O-CG1 3.25Å; W352-I356 WeakPolarHBondContact O-CG1 3.31Å; W352-I356 PolarHBondContact O-N 2.79Å
353K94.3Very high87.5Confident35 Ų3561.2 Ų61.215%0.15229%0.289CS..Hα-helixtrans-62.1-44.7177.6-172.9-174.1-172-168.20110.7F61 L98 E99 F101 I349 E350 E351 Y357F61-K353 HydrophobicContact CD1-CB 3.92Å; F61-K353 HydrophobicContact CD1-CG 4.05Å; F61-K353 HydrophobicContact CD2-CG 4.37Å; F61-K353 HydrophobicContact CE1-CB 4.01Å; F61-K353 HydrophobicContact CE1-CG 3.97Å; F61-K353 HydrophobicContact CE2-CG 4.29Å; F61-K353 HydrophobicContact CG-CB 4.47Å; F61-K353 HydrophobicContact CG-CG 4.28Å; F61-K353 HydrophobicContact CZ-CG 4.13Å; L98-K353 HydrophobicContact CD1-CD 4.38Å; L98-K353 HydrophobicContact CD1-CG 4.07Å; L98-K353 WeakPolarHBondContact O-CE 3.41Å; L98-K353 PolarHBondContact O-NZ 2.66Å; E99-K353 PolarHBondContact O-NZ 3.21Å; F101-K353 HydrophobicContact CD1-CG 3.7Å; F101-K353 HydrophobicContact CE1-CG 4.23Å; F101-K353 WeakPolarHBondContact O-CE 3.32Å; F101-K353 PolarHBondContact O-NZ 3.17Å; I349-K353 WeakPolarHBondContact O-CB 3.49Å; I349-K353 PolarHBondContact O-N 2.78Å; E350-K353 WeakPolarHBondContact O-CB 3.38Å; E350-K353 PolarHBondContact O-N 2.98Å; E351-K353 VanDerWaalsContact C-N 3.28Å; E351-K353 PolarHBondContact O-N 3.26Å; K353-Y357 VanDerWaalsContact O-CB 3.23Å; K353-Y357 WeakPolarHBondContact O-CB 3.38Å; K353-Y357 PolarHBondContact O-N 2.89Å
354E94.1Very high88.3Confident108 Ų10862.2 Ų62.251%0.50529%0.293SS..Hα-helixtrans-59.4-48.3173.5-78174.8-164.200112.3L98 E350 E351 Y357 K358L98-E354 HydrophobicContact CD1-CG 4.04Å; L98-E354 HydrophobicContact CD2-CG 3.46Å; L98-E354 VanDerWaalsContact CD2-CG 3.46Å; L98-E354 HydrophobicContact CG-CG 4.36Å; E350-E354 WeakPolarHBondContact O-CG 3.21Å; E350-E354 PolarHBondContact O-N 2.8Å; E351-E354 WeakPolarHBondContact O-CB 3.41Å; E351-E354 PolarHBondContact O-N 3.38Å; E354-Y357 PolarHBondContact O-N 2.89Å; E354-K358 WeakPolarHBondContact O-CB 3.25Å; E354-K358 PolarHBondContact O-N 3.08Å
355L93Very high88.8Confident51 Ų5161.3 Ų61.327%0.26729%0.289SS..Hα-helixtrans-61.3-47.2179.3-71.6172.8000111.9Y71 E351 W352 K358 E359Y71-L355 HydrophobicContact CD2-CB 3.95Å; Y71-L355 HydrophobicContact CE2-CB 3.67Å; E351-L355 VanDerWaalsContact O-CG 3.31Å; E351-L355 WeakPolarHBondContact O-CG 3.34Å; E351-L355 PolarHBondContact O-N 3.33Å; W352-L355 HydrophobicContact CE3-CD1 3.81Å; W352-L355 HydrophobicContact CZ3-CD1 3.88Å; W352-L355 PolarHBondContact O-N 2.77Å; L355-K358 PolarHBondContact O-N 3.22Å; L355-E359 WeakPolarHBondContact O-CG 3.41Å; L355-E359 PolarHBondContact O-N 3.24Å
356I93.5Very high89Confident2 Ų264 Ų641%0.0130%0.299CS..Hα-helixtrans-64.4-44.4177.4-65.2165.5000110.2F61 A67 A70 Y71 L74 F101 V104 W352 K358 E359 V360F61-I356 HydrophobicContact CD1-CD1 4.47Å; F61-I356 HydrophobicContact CE1-CB 4.34Å; F61-I356 HydrophobicContact CE1-CD1 3.63Å; F61-I356 HydrophobicContact CZ-CD1 4.43Å; F61-I356 HydrophobicContact CZ-CG2 4.44Å; A67-I356 WeakPolarHBondContact O-CD1 3.37Å; A70-I356 HydrophobicContact CB-CD1 4.01Å; Y71-I356 HydrophobicContact CD2-CG1 3.71Å; Y71-I356 HydrophobicContact CG-CG1 4.16Å; L74-I356 HydrophobicContact CD2-CG2 4.26Å; F101-I356 HydrophobicContact CE1-CB 4.28Å; F101-I356 HydrophobicContact CE1-CG2 4.09Å; F101-I356 HydrophobicContact CZ-CG2 3.83Å; V104-I356 HydrophobicContact CG2-CG2 4Å; W352-I356 WeakPolarHBondContact O-CB 3.37Å; W352-I356 VanDerWaalsContact O-CG1 3.25Å; W352-I356 WeakPolarHBondContact O-CG1 3.31Å; W352-I356 PolarHBondContact O-N 2.79Å; I356-K358 VanDerWaalsContact C-N 3.32Å; I356-K358 PolarHBondContact O-N 3.4Å; I356-E359 PolarHBondContact O-N 3.48Å; I356-V360 HydrophobicContact CG2-CG2 4.3Å; I356-V360 VanDerWaalsContact O-CG2 3.25Å; I356-V360 WeakPolarHBondContact O-CG2 3.36Å; I356-V360 PolarHBondContact O-N 3.06Å
357Y94.2Very high88.6Confident40 Ų4058.4 Ų58.416%0.15728%0.278CS..Hα-helixtrans-58.7-46.1179.5-174-107.6000111.3T93 K96 L98 F101 K353 E354 E359 V360 M361T93-Y357 HydrophobicContact CG2-CE2 4.26Å; K96-Y357 PolarHBondContact O-OH 3.23Å; L98-Y357 HydrophobicContact CB-CD1 4.3Å; L98-Y357 HydrophobicContact CB-CE1 4.39Å; L98-Y357 HydrophobicContact CD1-CD1 4.2Å; L98-Y357 HydrophobicContact CD1-CG 4Å; F101-Y357 HydrophobicContact CB-CD2 3.83Å; F101-Y357 HydrophobicContact CB-CE2 4.15Å; F101-Y357 AromaticContact CD1-CD2 3.65Å; F101-Y357 HydrophobicContact CD1-CD2 3.65Å; F101-Y357 HydrophobicContact CD1-CG 4.08Å; F101-Y357 AromaticContact CD2-CD2 3.84Å; F101-Y357 HydrophobicContact CD2-CD2 3.84Å; F101-Y357 HydrophobicContact CD2-CE2 4.39Å; F101-Y357 HydrophobicContact CE1-CD2 4.06Å; F101-Y357 HydrophobicContact CE1-CG 4.36Å; F101-Y357 HydrophobicContact CE2-CD2 4.25Å; F101-Y357 AromaticContact CG-CD2 3.52Å; F101-Y357 HydrophobicContact CG-CD2 3.52Å; F101-Y357 HydrophobicContact CG-CE2 4.22Å; F101-Y357 HydrophobicContact CG-CG 4.37Å; F101-Y357 HydrophobicContact CZ-CD2 4.34Å; K353-Y357 VanDerWaalsContact O-CB 3.23Å; K353-Y357 WeakPolarHBondContact O-CB 3.38Å; K353-Y357 PolarHBondContact O-N 2.89Å; E354-Y357 PolarHBondContact O-N 2.89Å; Y357-E359 PolarHBondContact O-N 3.45Å; Y357-V360 PolarHBondContact O-N 3.08Å; Y357-M361 HydrophobicContact CD1-CG 4.13Å; Y357-M361 HydrophobicContact CD2-CE 4.37Å; Y357-M361 HydrophobicContact CE1-CG 3.79Å; Y357-M361 HydrophobicContact CE1-SD 4.46Å; Y357-M361 HydrophobicContact CE2-CE 3.75Å; Y357-M361 HydrophobicContact CE2-CG 4.27Å; Y357-M361 HydrophobicContact CE2-SD 4.36Å; Y357-M361 VanDerWaalsContact O-CG 3.32Å; Y357-M361 WeakPolarHBondContact O-CG 3.44Å; Y357-M361 PolarHBondContact O-N 2.78Å
358K92.6Very high87.6Confident124 Ų12462.8 Ų62.854%0.53930%0.297SS..Hα-helixtrans-58.8-48.1175.7-174.9-179.4177-176.60111.7E354 L355 I356 V360 M361 D362E354-K358 WeakPolarHBondContact O-CB 3.25Å; E354-K358 PolarHBondContact O-N 3.08Å; L355-K358 PolarHBondContact O-N 3.22Å; I356-K358 VanDerWaalsContact C-N 3.32Å; I356-K358 PolarHBondContact O-N 3.4Å; K358-V360 VanDerWaalsContact C-N 3.26Å; K358-V360 PolarHBondContact O-N 3.32Å; K358-M361 PolarHBondContact O-N 3.18Å; K358-D362 WeakPolarHBondContact O-CB 3.01Å; K358-D362 VanDerWaalsContact O-CG 3.23Å; K358-D362 PolarHBondContact O-N 3.45Å
359E91.1Very high85.7Confident45 Ų4566.7 Ų66.721%0.2131%0.311CS..Hα-helixtrans-61.1-33.7178.7-75.7-62.1148.500113.4Y71 L74 K78 L355 I356 Y357 W363Y71-E359 HydrophobicContact CD2-CG 4.46Å; Y71-E359 HydrophobicContact CE2-CG 3.72Å; L74-E359 HydrophobicContact CD2-CB 3.59Å; L74-E359 HydrophobicContact CG-CB 4.35Å; K78-E359 PolarHBondContact NZ-O 3.29Å; K78-E359 IonicContact NZ-OE2 3.28Å; K78-E359 PolarHBondContact NZ-OE2 2.91Å; L355-E359 WeakPolarHBondContact O-CG 3.41Å; L355-E359 PolarHBondContact O-N 3.24Å; I356-E359 PolarHBondContact O-N 3.48Å; Y357-E359 PolarHBondContact O-N 3.45Å; E359-W363 PolarHBondContact O-N 3.28Å
360V92.9Very high83.2Confident0 Ų067.4 Ų67.40%033%0.33CS..Hα-helixtrans-70.8-48.3175.5174.70000110.7L74 V91 T93 V104 I356 Y357 K358 W363 E364L74-V360 HydrophobicContact CD2-CG2 4.01Å; V91-V360 HydrophobicContact CG2-CB 4.45Å; V91-V360 HydrophobicContact CG2-CG1 4.24Å; V91-V360 HydrophobicContact CG2-CG2 3.8Å; T93-V360 HydrophobicContact CG2-CG1 3.99Å; V104-V360 HydrophobicContact CG1-CG2 4.3Å; I356-V360 HydrophobicContact CG2-CG2 4.3Å; I356-V360 VanDerWaalsContact O-CG2 3.25Å; I356-V360 WeakPolarHBondContact O-CG2 3.36Å; I356-V360 PolarHBondContact O-N 3.06Å; Y357-V360 PolarHBondContact O-N 3.08Å; K358-V360 VanDerWaalsContact C-N 3.26Å; K358-V360 PolarHBondContact O-N 3.32Å; V360-W363 PolarHBondContact O-N 2.9Å; V360-E364 PolarHBondContact O-N 3.03Å; V360-E364 VanDerWaalsContact O-N 3.15Å
361M91Very high80.6Confident42 Ų4266.8 Ų66.821%0.20733%0.334CS..Hα-helixtrans-64.4-43.9179.7-66.3-64.8118.200112T93 Y357 K358 W363 E364 E365T93-M361 HydrophobicContact CG2-CE 3.4Å; T93-M361 VanDerWaalsContact CG2-CE 3.4Å; Y357-M361 HydrophobicContact CD1-CG 4.13Å; Y357-M361 HydrophobicContact CD2-CE 4.37Å; Y357-M361 HydrophobicContact CE1-CG 3.79Å; Y357-M361 HydrophobicContact CE1-SD 4.46Å; Y357-M361 HydrophobicContact CE2-CE 3.75Å; Y357-M361 HydrophobicContact CE2-CG 4.27Å; Y357-M361 HydrophobicContact CE2-SD 4.36Å; Y357-M361 VanDerWaalsContact O-CG 3.32Å; Y357-M361 WeakPolarHBondContact O-CG 3.44Å; Y357-M361 PolarHBondContact O-N 2.78Å; K358-M361 PolarHBondContact O-N 3.18Å; M361-W363 PolarHBondContact O-N 3.24Å; M361-E364 PolarHBondContact O-N 3.15Å; M361-E364 VanDerWaalsContact O-N 3.07Å; M361-E365 PolarHBondContact O-N 3.07Å
362D88Confident78.2Confident47 Ų4767.8 Ų67.825%0.25135%0.346SS..Hα-helixtrans-58.8-34.4177.6-75.1-0.3000111.6K358 R366K358-D362 WeakPolarHBondContact O-CB 3.01Å; K358-D362 VanDerWaalsContact O-CG 3.23Å; K358-D362 PolarHBondContact O-N 3.45Å; D362-R366 VanDerWaalsContact O-CG 3.29Å; D362-R366 WeakPolarHBondContact O-CG 3.4Å; D362-R366 PolarHBondContact O-N 2.97Å
363W84.7Confident75.4Confident33 Ų3376.7 Ų76.713%0.12539%0.385CS..Hα-helixtrans-71.6-42.3175.3-175.9-88.3000112.6K78 L88 N90 V91 E359 V360 M361 E365 R366 S367K78-W363 HydrophobicContact CB-CZ3 4.43Å; K78-W363 HydrophobicContact CD-CE3 4.26Å; K78-W363 HydrophobicContact CG-CE3 4.06Å; K78-W363 HydrophobicContact CG-CZ3 3.94Å; L88-W363 HydrophobicContact CD2-CH2 4.32Å; L88-W363 HydrophobicContact CD2-CZ2 4.33Å; L88-W363 HydrophobicContact CG-CZ2 4.4Å; N90-W363 PolarHBondContact OD1-NE1 2.9Å; V91-W363 HydrophobicContact CG1-CB 3.55Å; V91-W363 VanDerWaalsContact CG1-CD1 3.44Å; V91-W363 HydrophobicContact CG1-CD2 4.03Å; V91-W363 HydrophobicContact CG1-CG 3.38Å; E359-W363 PolarHBondContact O-N 3.28Å; V360-W363 PolarHBondContact O-N 2.9Å; M361-W363 PolarHBondContact O-N 3.24Å; W363-E365 VanDerWaalsContact C-N 3.3Å; W363-E365 PolarHBondContact O-N 2.85Å; W363-R366 PolarHBondContact O-N 3.17Å; W363-S367 PolarHBondContact NE1-OG 2.92Å; W363-S367 WeakPolarHBondContact O-CB 3.39Å; W363-S367 PolarHBondContact O-N 2.76Å; W363-S367 PolarHBondContact O-OG 2.9Å
364E79.3Confident72.5Confident41 Ų4182.2 Ų82.219%0.19242%0.416CS..Hα-helixtrans-61.4-41178.8-166.9-178.4165.500111.1V360 M361 S367 K368V360-E364 PolarHBondContact O-N 3.03Å; V360-E364 VanDerWaalsContact O-N 3.15Å; M361-E364 PolarHBondContact O-N 3.15Å; M361-E364 VanDerWaalsContact O-N 3.07Å; E364-S367 PolarHBondContact O-N 2.79Å; E364-K368 HydrophobicContact CG-CD 4.39Å; E364-K368 WeakPolarHBondContact O-CB 3.39Å; E364-K368 WeakPolarHBondContact O-CG 3.45Å; E364-K368 PolarHBondContact O-N 3.44Å; E364-K368 WeakPolarHBondContact OE1-CE 3.43Å; E364-K368 IonicContact OE1-NZ 3.11Å; E364-K368 PolarHBondContact OE1-NZ 2.77Å
365E78.3Confident69.7Low122 Ų12283.8 Ų83.857%0.5742%0.423SS*.Hα-helixtrans-64.6-45.8175.1-71.4-172.717600112.7M361 W363 S367 K368 N369M361-E365 PolarHBondContact O-N 3.07Å; W363-E365 VanDerWaalsContact C-N 3.3Å; W363-E365 PolarHBondContact O-N 2.85Å; E365-S367 VanDerWaalsContact C-N 3.27Å; E365-S367 PolarHBondContact O-N 3.19Å; E365-K368 PolarHBondContact O-N 3.45Å; E365-N369 WeakPolarHBondContact O-CB 3.37Å; E365-N369 VanDerWaalsContact O-CG 3.3Å; E365-N369 PolarHBondContact O-N 3.19Å; E365-N369 PolarHBondContact O-ND2 3.27Å
366R76.6Confident66.7Low142 Ų14287.3 Ų87.354%0.53645%0.449SS..Hα-helixtrans-60.1-38.5175.9-73.1176.3-166.9-172.75.6112.3D362 W363 N369 G370 V371D362-R366 VanDerWaalsContact O-CG 3.29Å; D362-R366 WeakPolarHBondContact O-CG 3.4Å; D362-R366 PolarHBondContact O-N 2.97Å; W363-R366 PolarHBondContact O-N 3.17Å; R366-N369 PolarHBondContact O-N 3.49Å; R366-G370 PolarHBondContact O-N 3.36Å; R366-V371 PolarHBondContact O-N 3.14Å
367S70.1Confident63.6Low48 Ų4892.3 Ų92.334%0.33648%0.484SS..Hα-helixtrans-71.4-39.3179.6-59.60000112.2W363 E364 E365 N369 G370W363-S367 PolarHBondContact NE1-OG 2.92Å; W363-S367 WeakPolarHBondContact O-CB 3.39Å; W363-S367 PolarHBondContact O-N 2.76Å; W363-S367 PolarHBondContact O-OG 2.9Å; E364-S367 PolarHBondContact O-N 2.79Å; E365-S367 VanDerWaalsContact C-N 3.27Å; E365-S367 PolarHBondContact O-N 3.19Å; S367-N369 VanDerWaalsContact C-N 3.3Å; S367-N369 PolarHBondContact O-N 3.06Å; S367-G370 PolarHBondContact O-N 3.13Å
368K65.6Low60.8Low136 Ų13698.5 Ų98.559%0.59152%0.52SS*.Hα-helixtrans-65.7-33.3174.3-76.7172.6-176.5164.50112.5E364 E365 G370E364-K368 HydrophobicContact CG-CD 4.39Å; E364-K368 WeakPolarHBondContact O-CB 3.39Å; E364-K368 WeakPolarHBondContact O-CG 3.45Å; E364-K368 PolarHBondContact O-N 3.44Å; E364-K368 WeakPolarHBondContact OE1-CE 3.43Å; E364-K368 IonicContact OE1-NZ 3.11Å; E364-K368 PolarHBondContact OE1-NZ 2.77Å; E365-K368 PolarHBondContact O-N 3.45Å; K368-G370 VanDerWaalsContact C-N 3.27Å; K368-G370 PolarHBondContact O-N 3.28Å
369N50.3Low58.1Low124 Ų12496.6 Ų96.666%0.66353%0.528SS*.THydrogen-bonded Turntrans-83.84.4179.3-66.1-21.1000113.7E365 R366 S367 V371E365-N369 WeakPolarHBondContact O-CB 3.37Å; E365-N369 VanDerWaalsContact O-CG 3.3Å; E365-N369 PolarHBondContact O-N 3.19Å; E365-N369 PolarHBondContact O-ND2 3.27Å; R366-N369 PolarHBondContact O-N 3.49Å; S367-N369 VanDerWaalsContact C-N 3.3Å; S367-N369 PolarHBondContact O-N 3.06Å; N369-V371 HydrophobicContact CB-CG2 4.16Å; N369-V371 PolarHBondContact O-N 3.2Å
370G40.7Very low55.1Low59 Ų5998.9 Ų98.961%0.60856%0.555SS**THydrogen-bonded Turntrans71.12317200000115.5R366 S367 K368 V372R366-G370 PolarHBondContact O-N 3.36Å; S367-G370 PolarHBondContact O-N 3.13Å; K368-G370 VanDerWaalsContact C-N 3.27Å; K368-G370 PolarHBondContact O-N 3.28Å; G370-V372 PolarHBondContact O-N 2.84Å
371V37.1Very low52.1Low108 Ų108106 Ų10666%0.65560%0.598SS**  trans-85.90.9-170.9-172.20000113.8R366 N369 K373R366-V371 PolarHBondContact O-N 3.14Å; N369-V371 HydrophobicContact CB-CG2 4.16Å; N369-V371 PolarHBondContact O-N 3.2Å; V371-K373 PolarHBondContact O-N 2.9Å
372V41.8Very low49.1Very low111 Ų111111 Ų11167%0.67363%0.626SS**  trans-91.880.5175.4-169.20000109.6G370G370-V372 PolarHBondContact O-N 2.84Å
373K33.9Very low46.4Very low192 Ų192113.7 Ų113.784%0.83565%0.648SS**  trans-127.856.2172.2-130.8-167-170.9-174.10110.5V371V371-K373 PolarHBondContact O-N 2.9Å
374D34.6Very low43.7Very low151 Ų151119.5 Ų119.581%0.80768%0.681SS**  trans-137.272.5168.6-82.4-38.1000109.7
375Q34.9Very low41.2Very low141 Ų141124.8 Ų124.866%0.65972%0.716SS**SBendtrans-129.4129.9147.1-79-170.2-3.700106.8S377Q375-S377 PolarHBondContact O-N 2.78Å
376P29.3Very low38.8Very low125 Ų125124.5 Ų124.581%0.81273%0.728SS**  trans-68.8115.3173.527.7-30.4000108.6D378P376-D378 PolarHBondContact O-N 3.05Å
377S28.5Very low36.6Very low107 Ų107123.8 Ų123.875%0.74874%0.742SS**  trans-78.6102169.457.10000109.2Q375 A379Q375-S377 PolarHBondContact O-N 2.78Å; S377-A379 PolarHBondContact O-N 3.32Å
378D36.2Very low34.5Very low170 Ų170127.2 Ų127.291%0.90977%0.766SS**  trans-72.878.5162-83.5-28.8000109.3P376P376-D378 PolarHBondContact O-N 3.05Å
379A34.4Very low32.6Very low85 Ų85130.1 Ų130.170%0.70278%0.781SS**  trans-16684.316500000110.5S377S377-A379 PolarHBondContact O-N 3.32Å
380A28.8Very low31.5Very low93 Ų93130 Ų13077%0.76979%0.791SS**  trans172.197.6141.800000110.4
381V30Very low30.8Very low150 Ų150132.1 Ų132.191%0.90980%0.796SS**  trans-107.3109.1151.6-1800000107.1S383V381-S383 PolarHBondContact O-N 3.17Å
382N28.9Very low30.5Very low147 Ų147132.2 Ų132.279%0.78680%0.801SS**  trans-55.2132.3172.9-89-28.7000111.1N384N382-N384 PolarHBondContact O-N 3.44Å
383S29.8Very low29.9Very low103 Ų103133.9 Ų133.972%0.7281%0.805SS**  trans-53118.1153.242.20000110.5V381V381-S383 PolarHBondContact O-N 3.17Å
384N28Very low29.8Very low155 Ų155132.1 Ų132.183%0.82981%0.805SS**  trans-173.998.4148.2-94.7-20.7000109.8N382N382-N384 PolarHBondContact O-N 3.44Å
385T28.1Very low29.4Very low151 Ų151132 Ų13293%0.92680%0.804SS**  trans-170.9121.4145.514.40000110.2
386S28.2Very low29.1Very low116 Ų116132.7 Ų132.781%0.81181%0.811SS**  trans-75.4163.8173.7-54.10000111.4
387P29.1Very low29Very low127 Ų127131.4 Ų131.483%0.82580%0.804SS**  trans-91.2147.5-14935.5-33.6000113.4
388S26Very low29Very low121 Ų121131 Ų13185%0.84680%0.802SS**  trans-113.9129.3159.456.80000109.6
389Q26.4Very low28.6Very low196 Ų196131.5 Ų131.592%0.91680%0.801SS**  trans-66.2134.1179.3-65.5172.4-24.300110.6
390S27.5Very low28.4Very low123 Ų123132.9 Ų132.986%0.8681%0.806SS**  trans-162.7139.4132.853.80000111
391S26.2Very low28.4Very low103 Ų103135.1 Ų135.172%0.7281%0.81SS**  trans-74.5148.6-172.347.30000114.3
392S29.2Very low28.3Very low109 Ų109136.9 Ų136.976%0.76281%0.808SS**  trans16998.8131.1-69.90000108.3
393I29.1Very low28.2Very low147 Ų147139 Ų13975%0.75481%0.813SS**  60.693.194.4-60.5172.3000112.8
394N31.7Very low28.2Very low154 Ų154140.7 Ų140.782%0.82482%0.82SS**  -178.6121.2107.5-94.7-29.8000111.6
395D26.2Very low28.2Very low148 Ų148141.4 Ų141.479%0.79182%0.822SS**  trans-52.2157.9162.3-63.7-59.8000111.1
396I30.1Very low28.1Very low157 Ų157138.6 Ų138.681%0.80581%0.814SS**  -166126.678-80.4157.6000110
397S27.5Very low28.1Very low97 Ų97138.6 Ų138.668%0.67881%0.814SS**  trans-46.5154.2158.252.70000113.8
398S28.4Very low28.1Very low100 Ų100140 Ų14070%0.69982%0.815SS**  164.4153.283.944.20000110.9
399M27.8Very low28.3Very low179 Ų179141.2 Ų141.288%0.88282%0.818SS**  trans147.275.8153.2-76.7-104.1167.500107.1
400S28.6Very low28.3Very low115 Ų115139.3 Ų139.380%0.80481%0.814SS**  57.2104.283-60.10000113.9
401T29.4Very low28.4Very low139 Ų139139 Ų13985%0.85381%0.812SS**  trans-65.4134.5162.845.50000111.8
402E28.2Very low28.4Very low187 Ų187138.7 Ų138.787%0.87481%0.809SS**  trans-118.6120.4155.8-84.4-174.3155.200110
403Q27.6Very low28.5Very low191 Ų191140.4 Ų140.489%0.89381%0.809SS**  trans-77.9139.9162-73.1172.6-27.600108.4
404T28.5Very low28.5Very low140 Ų140140.3 Ų140.386%0.85981%0.81SS**  trans-127.6127.5159.1-44.70000109.3
405L28.4Very low28.5Very low169 Ų169136.9 Ų136.989%0.88580%0.803SS**  trans-78.4159.5-178.7-90.4150000112.4
406A27Very low28.7Very low92 Ų92138 Ų13876%0.7681%0.808SS**  trans-61158.6-178.700000115.7
407S27.8Very low28.8Very low116 Ų116136.8 Ų136.881%0.81181%0.809SS**  trans-141.8115.4152.260.60000109.9
408D27.7Very low29Very low157 Ų157135.6 Ų135.684%0.8481%0.811SS**  trans-64.8141165.1-68.6-47000110.9
409T30.7Very low29.9Very low147 Ų147136.9 Ų136.990%0.90282%0.817SS**  trans-150.6127.5137.533.30000110.1
410D26.3Very low30.2Very low155 Ų155136.9 Ų136.983%0.82982%0.82SS**  trans-84141.6-178.2-164.810.1000110.6
411S29.1Very low30.4Very low118 Ų118140.6 Ų140.683%0.82583%0.825SS**  trans-166.1127.3148.160.50000111
412S27.8Very low30.5Very low95 Ų95137.3 Ų137.366%0.66482%0.818SS**  trans-95.8-179.7-167.251.50000114.2
413L30.1Very low30.6Very low145 Ų145134.6 Ų134.676%0.75982%0.819SS**  trans89.4133.3162.8-58.9149.2000114.6
414D29.4Very low31.1Very low146 Ų146140.9 Ų140.978%0.78183%0.834SS**  cis-160.3162.318.3-121.4-30.5000111.9
415A31.2Very low31.3Very low82 Ų82140.9 Ų140.968%0.67883%0.833SS**  trans-71.1158.1-177.800000114.4
416L30.4Very low31.4Very low170 Ų170139.4 Ų139.489%0.8983%0.83SS**  trans-164.1137136.5-104151.5000113.1
417T33.3Very low31.7Very low133 Ų133142.1 Ų142.182%0.81683%0.834SS**  trans-72.5154.3-177.345.90000115.2
418G30.5Very low31.9Very low71 Ų71143.6 Ų143.673%0.73284%0.835SS**  trans133.7128.7141.500000117.3
419P47.1Very low32.2Very low127 Ų127142.8 Ų142.883%0.82584%0.835SS**  trans-95.6158.9-177.338-32000113
420L34.3Very low32.3Very low180 Ų180142.5 Ų142.594%0.94283%0.83SS**  trans-139123.9163.5-88.1167.4000111.5
421E34.3Very low32.7Very low193 Ų193141.6 Ų141.690%0.90283%0.83SS**  trans-68159166-62.6173.6131.200112.2
422G30.1Very low33Very low69 Ų69143.4 Ų143.471%0.71183%0.831SS**  107.6117.1126.700000119.9
423C31.8Very low33.4Very low131 Ų131147.4 Ų147.489%0.88585%0.845SS**  trans74.1100.5145.6-650000120.2
424R38.3Very low33.7Very low322 Ų322147.6 Ų147.6100%1.21585%0.852SS**  -165.5097.6-110.8-176.7-177.8-176.31.7112.3

Retrieved 424 of 424 residues in 140.7 ms (Link to these results)

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