A0A077ZLX6_TRITR Loading...

leucine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZLX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 521 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
1M51.2Low76.7Confident224 Ų224123.2 Ų123.2100%1.10362%0.621SS**  0-25.10-78.5-176.7-164.400113.3S3 K4M1-S3 PolarHBondContact O-N 3.08Å; M1-K4 PolarHBondContact O-N 3.25Å
2E52.5Low78.3Confident158 Ų158122 Ų12274%0.73862%0.617SS**Hα-helixtrans-60.8-34.9179.6-67.5-177.9149.400115K4 G5 R6E2-K4 PolarHBondContact O-N 3.37Å; E2-G5 PolarHBondContact O-N 3.04Å; E2-G5 VanDerWaalsContact O-N 3.15Å; E2-R6 PolarHBondContact O-N 2.95Å
3S62.7Low79.6Confident98 Ų98118.2 Ų118.269%0.68560%0.599SS**Hα-helixtrans-60.4-39.8178.1154.50000113.3M1 G5 R6 S7M1-S3 PolarHBondContact O-N 3.08Å; S3-G5 VanDerWaalsContact C-N 3.27Å; S3-G5 PolarHBondContact O-N 2.96Å; S3-R6 PolarHBondContact O-N 3.23Å; S3-S7 PolarHBondContact O-N 3.02Å
4K63Low80.8Confident160 Ų160118.1 Ų118.170%0.69659%0.587SS**Hα-helixtrans-68.7-24.9177.8-76.2-172.8177.1-178.40112.9M1 E2 S7 K8M1-K4 PolarHBondContact O-N 3.25Å; E2-K4 PolarHBondContact O-N 3.37Å; K4-S7 PolarHBondContact O-OG 2.74Å; K4-K8 WeakPolarHBondContact O-CG 3.43Å
5G71.7Confident81.9Confident38 Ų38113.7 Ų113.739%0.39257%0.571SS.*Hα-helixtrans-72.9-46.4176.400000111.5E2 S3 S7 K8 V9E2-G5 PolarHBondContact O-N 3.04Å; E2-G5 VanDerWaalsContact O-N 3.15Å; S3-G5 VanDerWaalsContact C-N 3.27Å; S3-G5 PolarHBondContact O-N 2.96Å; G5-S7 PolarHBondContact O-N 3.07Å; G5-K8 PolarHBondContact O-N 3.28Å; G5-V9 PolarHBondContact O-N 3.41Å
6R81.3Confident82.8Confident172 Ų172112.1 Ų112.165%0.64956%0.562SS**Hα-helixtrans-62.4-42.5179-67.5-175-176.9172.82.7112.2E2 S3 K8 V9 E10E2-R6 PolarHBondContact O-N 2.95Å; S3-R6 PolarHBondContact O-N 3.23Å; R6-K8 VanDerWaalsContact C-N 3.33Å; R6-K8 PolarHBondContact O-N 3.11Å; R6-V9 PolarHBondContact O-N 2.9Å; R6-E10 WeakPolarHBondContact O-CG 3.44Å; R6-E10 PolarHBondContact O-N 3.45Å
7S87.5Confident83.6Confident61 Ų61113.9 Ų113.943%0.42756%0.56SS.*Hα-helixtrans-63.4-35.5179.271.70000113.5S3 K4 G5 E11S3-S7 PolarHBondContact O-N 3.02Å; K4-S7 PolarHBondContact O-OG 2.74Å; G5-S7 PolarHBondContact O-N 3.07Å; S7-E11 PolarHBondContact O-N 2.98Å; S7-E11 VanDerWaalsContact O-N 3.09Å
8K93Very high84.4Confident152 Ų152112.6 Ų112.666%0.66156%0.559SS**Hα-helixtrans-68-41.6176.8-73.6179.1179.5-172.90111.9K4 G5 R6 E11 L12K4-K8 WeakPolarHBondContact O-CG 3.43Å; G5-K8 PolarHBondContact O-N 3.28Å; R6-K8 VanDerWaalsContact C-N 3.33Å; R6-K8 PolarHBondContact O-N 3.11Å; K8-E11 PolarHBondContact O-N 3.02Å; K8-L12 WeakPolarHBondContact O-CG 3.22Å; K8-L12 PolarHBondContact O-N 2.93Å; K8-L12 VanDerWaalsContact O-N 3.09Å
9V93.2Very high85.1Confident82 Ų82109.9 Ų109.950%0.49755%0.549SS..Hα-helixtrans-66.5-43.3177175.20000110.4G5 R6 E11 L12 L13G5-V9 PolarHBondContact O-N 3.41Å; R6-V9 PolarHBondContact O-N 2.9Å; V9-E11 VanDerWaalsContact C-N 3.29Å; V9-E11 PolarHBondContact O-N 3.16Å; V9-L12 PolarHBondContact O-N 2.63Å; V9-L13 HydrophobicContact CG1-CD1 3.88Å; V9-L13 HydrophobicContact CG1-CG 4.19Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.11Å; V9-L13 PolarHBondContact O-N 3.23Å
10E92.7Very high85.6Confident120 Ų120106.4 Ų106.456%0.56153%0.531SS*.Hα-helixtrans-58.6-40.8176.5-75.5167.8-169.900112.5R6 L13 R14R6-E10 WeakPolarHBondContact O-CG 3.44Å; R6-E10 PolarHBondContact O-N 3.45Å; E10-L13 PolarHBondContact O-N 2.93Å; E10-R14 WeakPolarHBondContact O-CB 3.48Å; E10-R14 PolarHBondContact O-N 2.72Å
11E95.3Very high86.1Confident90 Ų90107.8 Ų107.842%0.42153%0.534SS..Hα-helixtrans-66.9-42.7176.6-178.958.4-170.100112.2S7 K8 V9 R14 C15S7-E11 PolarHBondContact O-N 2.98Å; S7-E11 VanDerWaalsContact O-N 3.09Å; K8-E11 PolarHBondContact O-N 3.02Å; V9-E11 VanDerWaalsContact C-N 3.29Å; V9-E11 PolarHBondContact O-N 3.16Å; E11-R14 WeakPolarHBondContact O-CB 3.46Å; E11-R14 PolarHBondContact O-N 3.32Å; E11-R14 IonicContact OE1-CZ 3.67Å; E11-R14 IonicContact OE1-NE 3.41Å; E11-R14 IonicContact OE1-NH2 3.93Å; E11-R14 PolarHBondContact OE1-NH2 3.39Å; E11-R14 IonicContact OE2-CZ 3.88Å; E11-R14 IonicContact OE2-NE 3.81Å; E11-R14 PolarHBondContact OE2-NE 3.01Å; E11-R14 IonicContact OE2-NH2 3.76Å; E11-C15 PolarHBondContact O-N 2.89Å; E11-C15 PolarHBondContact O-SG 3.2Å; E11-C15 VanDerWaalsContact O-SG 3.4Å
12L95.9Very high88.3Confident109 Ų10999.1 Ų99.157%0.57150%0.495SS*.Hα-helixtrans-60.1-47.3173.5-71174.5000111.3K8 V9 R14 C15 E16K8-L12 WeakPolarHBondContact O-CG 3.22Å; K8-L12 PolarHBondContact O-N 2.93Å; K8-L12 VanDerWaalsContact O-N 3.09Å; V9-L12 PolarHBondContact O-N 2.63Å; L12-R14 VanDerWaalsContact C-N 3.26Å; L12-R14 PolarHBondContact O-N 3.38Å; L12-C15 PolarHBondContact O-N 3.13Å; L12-E16 WeakPolarHBondContact O-CB 3.16Å; L12-E16 WeakPolarHBondContact O-CG 3.43Å; L12-E16 PolarHBondContact O-N 3.49Å
13L95.1Very high90.4Very high73 Ų7395 Ų9538%0.38247%0.473SS..Hα-helixtrans-61.7-33.6177.2-69.6173.1000112.1V9 E10 R17V9-L13 HydrophobicContact CG1-CD1 3.88Å; V9-L13 HydrophobicContact CG1-CG 4.19Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 VanDerWaalsContact O-CG 3.26Å; V9-L13 WeakPolarHBondContact O-CG 3.11Å; V9-L13 PolarHBondContact O-N 3.23Å; E10-L13 PolarHBondContact O-N 2.93Å; L13-R17 WeakPolarHBondContact O-CG 3.43Å; L13-R17 VanDerWaalsContact O-CZ 3.31Å; L13-R17 PolarHBondContact O-N 2.89Å; L13-R17 VanDerWaalsContact O-N 3.15Å; L13-R17 PolarHBondContact O-NH1 3.29Å
14R96.1Very high91.9Very high117 Ų11795.5 Ų95.544%0.44247%0.465SS..Hα-helixtrans-67.2-48.1174.4-171.4-168.970.177.22.7110.9E10 E11 L12 R17 V18E10-R14 WeakPolarHBondContact O-CB 3.48Å; E10-R14 PolarHBondContact O-N 2.72Å; E11-R14 WeakPolarHBondContact O-CB 3.46Å; E11-R14 PolarHBondContact O-N 3.32Å; E11-R14 IonicContact OE1-CZ 3.67Å; E11-R14 IonicContact OE1-NE 3.41Å; E11-R14 IonicContact OE1-NH2 3.93Å; E11-R14 PolarHBondContact OE1-NH2 3.39Å; E11-R14 IonicContact OE2-CZ 3.88Å; E11-R14 IonicContact OE2-NE 3.81Å; E11-R14 PolarHBondContact OE2-NE 3.01Å; E11-R14 IonicContact OE2-NH2 3.76Å; L12-R14 VanDerWaalsContact C-N 3.26Å; L12-R14 PolarHBondContact O-N 3.38Å; R14-R17 PolarHBondContact O-N 2.91Å; R14-V18 WeakPolarHBondContact O-CG2 3.43Å; R14-V18 PolarHBondContact O-N 3.26Å; R14-V18 VanDerWaalsContact O-N 3.15Å
15C97Very high93.6Very high51 Ų5193.4 Ų93.435%0.34546%0.461SS..Hα-helixtrans-59.9-45.7176.3-71.80000111.7E11 L12 R17 V18 V19E11-C15 PolarHBondContact O-N 2.89Å; E11-C15 PolarHBondContact O-SG 3.2Å; E11-C15 VanDerWaalsContact O-SG 3.4Å; L12-C15 PolarHBondContact O-N 3.13Å; C15-R17 PolarHBondContact O-N 2.79Å; C15-V18 PolarHBondContact O-N 2.69Å; C15-V19 WeakPolarHBondContact O-CB 3.37Å; C15-V19 WeakPolarHBondContact O-CG2 3.45Å; C15-V19 PolarHBondContact O-N 2.76Å
16E97.1Very high94.8Very high89 Ų8997.7 Ų97.742%0.41647%0.471SS..Hα-helixtrans-54.6-50.4175.6-76.1169.4-16900111.6L12 V18 V19 Q20L12-E16 WeakPolarHBondContact O-CB 3.16Å; L12-E16 WeakPolarHBondContact O-CG 3.43Å; L12-E16 PolarHBondContact O-N 3.49Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-V18 PolarHBondContact O-N 2.97Å; E16-V19 PolarHBondContact O-N 3.27Å; E16-Q20 VanDerWaalsContact O-CB 3.27Å; E16-Q20 WeakPolarHBondContact O-CB 3.41Å; E16-Q20 WeakPolarHBondContact O-CG 3.24Å; E16-Q20 PolarHBondContact O-N 3.12Å
17R96.5Very high95.5Very high143 Ų14396.3 Ų96.354%0.5447%0.466SS..Hα-helixtrans-60.2-41.1179.1-75-174.1-64.4-91.72.9113L13 R14 C15 K21L13-R17 WeakPolarHBondContact O-CG 3.43Å; L13-R17 VanDerWaalsContact O-CZ 3.31Å; L13-R17 PolarHBondContact O-N 2.89Å; L13-R17 VanDerWaalsContact O-N 3.15Å; L13-R17 PolarHBondContact O-NH1 3.29Å; R14-R17 PolarHBondContact O-N 2.91Å; C15-R17 PolarHBondContact O-N 2.79Å; R17-K21 WeakPolarHBondContact O-CB 3.39Å; R17-K21 PolarHBondContact O-N 3.21Å; R17-K21 VanDerWaalsContact O-N 3.13Å
18V97.3Very high95.9Very high89 Ų8996.7 Ų96.754%0.53946%0.462SS..Hα-helixtrans-64.7-48.1178.6171.70000110.5R14 C15 E16 K21 S22R14-V18 WeakPolarHBondContact O-CG2 3.43Å; R14-V18 PolarHBondContact O-N 3.26Å; R14-V18 VanDerWaalsContact O-N 3.15Å; C15-V18 PolarHBondContact O-N 2.69Å; E16-V18 VanDerWaalsContact C-N 3.34Å; E16-V18 PolarHBondContact O-N 2.97Å; V18-K21 PolarHBondContact O-N 3.08Å; V18-S22 PolarHBondContact O-N 3.37Å; V18-S22 VanDerWaalsContact O-N 3.1Å
19V97.4Very high96Very high62 Ų6290.4 Ų90.438%0.37644%0.435SS..Hα-helixtrans-67.7-43.9-178.2172.50000111.4C15 E16 K21 S22 W23C15-V19 WeakPolarHBondContact O-CB 3.37Å; C15-V19 WeakPolarHBondContact O-CG2 3.45Å; C15-V19 PolarHBondContact O-N 2.76Å; E16-V19 PolarHBondContact O-N 3.27Å; V19-K21 VanDerWaalsContact C-N 3.3Å; V19-K21 PolarHBondContact O-N 3.42Å; V19-S22 PolarHBondContact O-N 2.7Å; V19-S22 VanDerWaalsContact O-N 3.17Å; V19-W23 HydrophobicContact CG1-CD2 3.92Å; V19-W23 HydrophobicContact CG1-CE3 4.49Å; V19-W23 HydrophobicContact CG1-CG 4.45Å; V19-W23 HydrophobicContact CG1-CH2 3.98Å; V19-W23 HydrophobicContact CG1-CZ2 3.33Å; V19-W23 VanDerWaalsContact O-CG 3.31Å; V19-W23 PolarHBondContact O-N 3.29Å
20Q96.3Very high96.2Very high39 Ų3988.7 Ų88.718%0.18242%0.421CS..Hα-helixtrans-59.6-40.5176.4-73.3167.4-0.600111.9E16 W23 E24 S190E16-Q20 VanDerWaalsContact O-CB 3.27Å; E16-Q20 WeakPolarHBondContact O-CB 3.41Å; E16-Q20 WeakPolarHBondContact O-CG 3.24Å; E16-Q20 PolarHBondContact O-N 3.12Å; Q20-W23 HydrophobicContact CG-CE3 4.35Å; Q20-W23 HydrophobicContact CG-CZ3 4.4Å; Q20-W23 PolarHBondContact O-N 3.47Å; Q20-E24 PolarHBondContact O-N 2.82Å; Q20-S190 PolarHBondContact NE2-O 3.17Å
21K95.9Very high96.3Very high136 Ų13684.1 Ų84.159%0.59140%0.402SS*.Hα-helixtrans-65.6-39.7175.8-172.8175.4-178.3179.20112.2R17 V18 V19 E24 N25R17-K21 WeakPolarHBondContact O-CB 3.39Å; R17-K21 PolarHBondContact O-N 3.21Å; R17-K21 VanDerWaalsContact O-N 3.13Å; V18-K21 PolarHBondContact O-N 3.08Å; V19-K21 VanDerWaalsContact C-N 3.3Å; V19-K21 PolarHBondContact O-N 3.42Å; K21-E24 PolarHBondContact O-N 2.93Å; K21-N25 WeakPolarHBondContact O-CB 3.33Å; K21-N25 PolarHBondContact O-N 3.34Å; K21-N25 PolarHBondContact O-ND2 3.4Å
22S97.5Very high96.2Very high42 Ų4285.1 Ų85.129%0.29441%0.41SS..Hα-helixtrans-62.3-47.3172.9150.40000111V18 V19 E24 N25 E26V18-S22 PolarHBondContact O-N 3.37Å; V18-S22 VanDerWaalsContact O-N 3.1Å; V19-S22 PolarHBondContact O-N 2.7Å; V19-S22 VanDerWaalsContact O-N 3.17Å; S22-E24 VanDerWaalsContact C-N 3.29Å; S22-E24 PolarHBondContact O-N 3.2Å; S22-N25 PolarHBondContact O-N 3.12Å; S22-E26 VanDerWaalsContact O-CB 3.32Å; S22-E26 WeakPolarHBondContact O-CB 3.2Å; S22-E26 WeakPolarHBondContact O-CG 3.33Å; S22-E26 PolarHBondContact O-N 2.92Å; S22-E26 PolarHBondContact OG-OE1 3.38Å
23W96.9Very high95.9Very high71 Ų7183.8 Ų83.827%0.26942%0.415SS..Hα-helixtrans-57.7-39.9177.1-65.6-12.5000113.3V19 Q20 R27 I28 Y29V19-W23 HydrophobicContact CG1-CD2 3.92Å; V19-W23 HydrophobicContact CG1-CE3 4.49Å; V19-W23 HydrophobicContact CG1-CG 4.45Å; V19-W23 HydrophobicContact CG1-CH2 3.98Å; V19-W23 HydrophobicContact CG1-CZ2 3.33Å; V19-W23 VanDerWaalsContact O-CG 3.31Å; V19-W23 PolarHBondContact O-N 3.29Å; Q20-W23 HydrophobicContact CG-CE3 4.35Å; Q20-W23 HydrophobicContact CG-CZ3 4.4Å; Q20-W23 PolarHBondContact O-N 3.47Å; W23-R27 PolarHBondContact O-N 2.96Å; W23-I28 HydrophobicContact CB-CD1 3.88Å; W23-I28 HydrophobicContact CB-CG1 3.91Å; W23-I28 HydrophobicContact CD2-CD1 4.17Å; W23-I28 HydrophobicContact CG-CD1 3.5Å; W23-I28 VanDerWaalsContact CG-CD1 3.5Å; W23-I28 HydrophobicContact CG-CG1 4.11Å; W23-I28 PolarHBondContact O-N 3.04Å; W23-Y29 HydrophobicContact CB-CE2 4.39Å; W23-Y29 HydrophobicContact CD2-CE2 4.07Å; W23-Y29 AromaticContact CE3-CE2 3.8Å; W23-Y29 HydrophobicContact CE3-CE2 3.8Å; W23-Y29 HydrophobicContact CG-CE2 4.37Å; W23-Y29 HydrophobicContact CZ3-CE2 4.42Å
24E94.4Very high95.3Very high109 Ų10982.3 Ų82.351%0.50941%0.41SS..Hα-helixtrans-69.1-46.9177.1-176.2165.8-140.100111.7Q20 K21 S22 E26 R27 K189Q20-E24 PolarHBondContact O-N 2.82Å; K21-E24 PolarHBondContact O-N 2.93Å; S22-E24 VanDerWaalsContact C-N 3.29Å; S22-E24 PolarHBondContact O-N 3.2Å; E24-E26 VanDerWaalsContact C-N 3.34Å; E24-E26 PolarHBondContact O-N 3.16Å; E24-R27 WeakPolarHBondContact O-CG 3.3Å; E24-R27 PolarHBondContact O-N 3.03Å; E24-K189 IonicContact OE1-NZ 3.81Å; E24-K189 PolarHBondContact OE1-NZ 3.01Å
25N96.9Very high94.6Very high116 Ų11686 Ų8662%0.6243%0.432SS*.Hα-helixtrans-62.5-40.5178.6-71.2-13.9000112.5K21 S22 R27K21-N25 WeakPolarHBondContact O-CB 3.33Å; K21-N25 PolarHBondContact O-N 3.34Å; K21-N25 PolarHBondContact O-ND2 3.4Å; S22-N25 PolarHBondContact O-N 3.12Å; N25-R27 VanDerWaalsContact C-N 3.31Å
26E97.3Very high93.9Very high129 Ų12987.3 Ų87.360%0.60344%0.441SS*.THydrogen-bonded Turntrans-83.8-7-179.5-68.7168.7-138.700112.8S22 E24 I28S22-E26 VanDerWaalsContact O-CB 3.32Å; S22-E26 WeakPolarHBondContact O-CB 3.2Å; S22-E26 WeakPolarHBondContact O-CG 3.33Å; S22-E26 PolarHBondContact O-N 2.92Å; S22-E26 PolarHBondContact OG-OE1 3.38Å; E24-E26 VanDerWaalsContact C-N 3.34Å; E24-E26 PolarHBondContact O-N 3.16Å; E26-I28 HydrophobicContact CB-CG2 3.63Å; E26-I28 PolarHBondContact O-N 2.92Å; E26-I28 VanDerWaalsContact O-N 3.16Å
27R96.7Very high93.1Very high143 Ų14391.7 Ų91.754%0.5447%0.467SS..THydrogen-bonded Turntrans54.434.3176.1-56.4172.367.1176.7-1.5113.2W23 E24 N25 Y29 E30W23-R27 PolarHBondContact O-N 2.96Å; E24-R27 WeakPolarHBondContact O-CG 3.3Å; E24-R27 PolarHBondContact O-N 3.03Å; N25-R27 VanDerWaalsContact C-N 3.31Å; R27-Y29 PolarHBondContact O-N 3.29Å; R27-E30 HydrophobicContact CB-CB 4.37Å; R27-E30 HydrophobicContact CB-CG 4.27Å; R27-E30 IonicContact CZ-OE2 3.48Å; R27-E30 IonicContact NE-OE1 3.59Å; R27-E30 IonicContact NE-OE2 3.75Å; R27-E30 PolarHBondContact NE-OE2 2.71Å; R27-E30 IonicContact NH2-OE2 3.89Å; R27-E30 PolarHBondContact NH2-OE2 2.81Å; R27-E30 WeakPolarHBondContact O-CB 3.24Å; R27-E30 PolarHBondContact O-N 2.82Å
28I95.5Very high92.4Very high68 Ų6888.7 Ų88.735%0.34948%0.481SS..THydrogen-bonded Turntrans-65.8-13.7-170.265.7161.9000115W23 E26W23-I28 HydrophobicContact CB-CD1 3.88Å; W23-I28 HydrophobicContact CB-CG1 3.91Å; W23-I28 HydrophobicContact CD2-CD1 4.17Å; W23-I28 HydrophobicContact CG-CD1 3.5Å; W23-I28 VanDerWaalsContact CG-CD1 3.5Å; W23-I28 HydrophobicContact CG-CG1 4.11Å; W23-I28 PolarHBondContact O-N 3.04Å; E26-I28 HydrophobicContact CB-CG2 3.63Å; E26-I28 PolarHBondContact O-N 2.92Å; E26-I28 VanDerWaalsContact O-N 3.16Å
29Y96.2Very high91.9Very high21 Ų2189.3 Ų89.38%0.08248%0.478CS..THydrogen-bonded Turntrans-107.616.1179.4-58.6-36.6000113W23 R27 P31 R71 R74 A194 D196W23-Y29 HydrophobicContact CB-CE2 4.39Å; W23-Y29 HydrophobicContact CD2-CE2 4.07Å; W23-Y29 AromaticContact CE3-CE2 3.8Å; W23-Y29 HydrophobicContact CE3-CE2 3.8Å; W23-Y29 HydrophobicContact CG-CE2 4.37Å; W23-Y29 HydrophobicContact CZ3-CE2 4.42Å; R27-Y29 PolarHBondContact O-N 3.29Å; Y29-P31 WeakPolarHBondContact O-CD 3.36Å; Y29-R71 PolarHBondContact OH-NH1 3.13Å; Y29-R71 PolarHBondContact OH-NH2 2.89Å; Y29-R71 VanDerWaalsContact OH-NH2 3.13Å; Y29-R74 VanDerWaalsContact CD1-NH2 3.31Å; Y29-A194 HydrophobicContact CD1-CB 4.04Å; Y29-A194 HydrophobicContact CD2-CB 4.18Å; Y29-A194 HydrophobicContact CE1-CB 3.88Å; Y29-A194 HydrophobicContact CE2-CB 4Å; Y29-A194 HydrophobicContact CG-CB 4.19Å; Y29-D196 WeakPolarHBondContact O-CA 3Å; Y29-D196 VanDerWaalsContact O-CB 3.28Å; Y29-D196 WeakPolarHBondContact O-CB 3.45Å
30E96.6Very high91.7Very high46 Ų4690 Ų9022%0.21548%0.484CS..  trans-108.565.9178.8-64.1-172-173.700111.5R27 R198R27-E30 HydrophobicContact CB-CB 4.37Å; R27-E30 HydrophobicContact CB-CG 4.27Å; R27-E30 IonicContact CZ-OE2 3.48Å; R27-E30 IonicContact NE-OE1 3.59Å; R27-E30 IonicContact NE-OE2 3.75Å; R27-E30 PolarHBondContact NE-OE2 2.71Å; R27-E30 IonicContact NH2-OE2 3.89Å; R27-E30 PolarHBondContact NH2-OE2 2.81Å; R27-E30 WeakPolarHBondContact O-CB 3.24Å; R27-E30 PolarHBondContact O-N 2.82Å; E30-R198 HydrophobicContact CG-CG 4.48Å; E30-R198 PolarHBondContact O-NH2 2.87Å; E30-R198 VanDerWaalsContact OE2-CD 3.28Å; E30-R198 WeakPolarHBondContact OE2-CD 3.45Å; E30-R198 IonicContact OE2-CZ 3.14Å; E30-R198 IonicContact OE2-NE 2.64Å; E30-R198 PolarHBondContact OE2-NE 3.08Å
31P94.4Very high91.6Very high23 Ų2395.6 Ų95.615%0.14951%0.507CS..PPolyproline II helixtrans-68.5142.3179.833.6-38.5000110.8Y29 N79 V80 L81 R198 R199Y29-P31 WeakPolarHBondContact O-CD 3.36Å; P31-N79 VanDerWaalsContact CB-OD1 3.25Å; P31-N79 WeakPolarHBondContact CB-OD1 3.27Å; P31-V80 WeakPolarHBondContact CG-O 3.44Å; P31-L81 HydrophobicContact CG-CB 4.38Å; P31-L81 HydrophobicContact CG-CD1 3.98Å; P31-R198 PolarHBondContact O-NH2 3.45Å; P31-R199 PolarHBondContact O-NH2 2.99Å; P31-R199 VanDerWaalsContact O-NH2 3.1Å
32D93.3Very high91.6Very high112 Ų11291.7 Ų91.760%0.59949%0.49SS*.PPolyproline II helixtrans-88.7163.6160.9-63.7-42.4000109.9N79 R198D32-N79 PolarHBondContact O-ND2 2.94Å; D32-R198 IonicContact OD1-NH1 3.34Å; D32-R198 PolarHBondContact OD1-NH1 2.58Å; D32-R198 IonicContact OD1-NH2 2.65Å
33A90.8Very high91.5Very high81 Ų8195.9 Ų95.967%0.66950%0.504SS*.PPolyproline II helixtrans-64.8146.3177.700000109.9E35A33-E35 PolarHBondContact O-N 3.19Å
34P81.1Confident91.6Very high42 Ų4293 Ų9327%0.27350%0.495SS..PPolyproline II helixtrans-51.9138.1172.8-27.836000112.4C36 E39P34-C36 VanDerWaalsContact C-N 3.34Å; P34-E39 HydrophobicContact CB-CB 3.86Å; P34-E39 HydrophobicContact CB-CG 4.34Å; P34-E39 WeakPolarHBondContact CB-OE2 3.07Å; P34-E39 HydrophobicContact CG-CB 4.27Å
35E82.7Confident91.7Very high194 Ų19493.5 Ų93.591%0.90750%0.501SS*.SBendtrans-73.2-29.4179-65-175174.300112.2A33A33-E35 PolarHBondContact O-N 3.19Å
36C82.2Confident91.7Very high79 Ų7989.3 Ų89.353%0.53448%0.478SS..SBendtrans-116.8140.3-177.6-69.60000111.6P34 G38P34-C36 VanDerWaalsContact C-N 3.34Å; C36-G38 PolarHBondContact O-N 2.94Å
37D80.4Confident91.7Very high180 Ų18088.1 Ų88.196%0.96348%0.481SS*.THydrogen-bonded Turntrans-61.2134.6169.2-78.5-25.3000110.4
38G81.2Confident91.7Very high81 Ų8185 Ų8584%0.83547%0.471SS*.THydrogen-bonded Turntrans102.9-12.1177.100000115.5C36C36-G38 PolarHBondContact O-N 2.94Å
39E86Confident91.7Very high101 Ų10182.1 Ų82.147%0.47246%0.457SS..  trans-62.6135.6173-70.6-166.2171.700111.6P34 K41P34-E39 HydrophobicContact CB-CB 3.86Å; P34-E39 HydrophobicContact CB-CG 4.34Å; P34-E39 WeakPolarHBondContact CB-OE2 3.07Å; P34-E39 HydrophobicContact CG-CB 4.27Å; E39-K41 PolarHBondContact O-N 3.26Å
40P92.5Very high91.6Very high78 Ų7883.6 Ų83.651%0.50646%0.463SS..  trans-70.9110.5-173.229.5-35.2000110.6K78 N79P40-K78 HydrophobicContact CB-CD 4.5Å; P40-K78 HydrophobicContact CB-CG 4.11Å; P40-K78 CarbonylContact O-C 3.59Å; P40-K78 WeakPolarHBondContact O-CA 3.26Å; P40-K78 WeakPolarHBondContact O-CB 3.44Å; P40-N79 PolarHBondContact O-N 3.28Å
41K94.6Very high91.6Very high155 Ų15581.4 Ų81.467%0.67445%0.453SS*.EExtended strand (participates in β ladder)trans-102.9157.4174.972.7-178.7179.8-171.50113.2E39 N79E39-K41 PolarHBondContact O-N 3.26Å; K41-N79 CarbonylContact C-O 3.53Å; K41-N79 VanDerWaalsContact CA-O 3.25Å; K41-N79 WeakPolarHBondContact CA-O 3.43Å
42F96.5Very high91.4Very high54 Ų5482.8 Ų82.824%0.23746%0.459CS..EExtended strand (participates in β ladder)trans-138.6111.7170.4-173.9-99.8000110.5A44 A69 V70 Q73 K78 N79 V80 L81F42-A44 HydrophobicContact CD1-CB 4.5Å; F42-A44 HydrophobicContact CE1-CB 3.86Å; F42-A44 HydrophobicContact CZ-CB 4.5Å; F42-A69 HydrophobicContact CE1-CB 4.14Å; F42-A69 HydrophobicContact CZ-CB 4.11Å; F42-V70 HydrophobicContact CD1-CG1 3.91Å; F42-V70 HydrophobicContact CE1-CG1 3.79Å; F42-Q73 HydrophobicContact CB-CB 4.05Å; F42-Q73 HydrophobicContact CB-CG 4.4Å; F42-Q73 HydrophobicContact CD1-CB 3.88Å; F42-Q73 HydrophobicContact CD1-CG 3.81Å; F42-Q73 HydrophobicContact CD2-CB 4.29Å; F42-Q73 HydrophobicContact CD2-CG 3.71Å; F42-Q73 HydrophobicContact CE1-CB 4.4Å; F42-Q73 HydrophobicContact CE1-CG 3.91Å; F42-Q73 HydrophobicContact CE2-CG 3.82Å; F42-Q73 HydrophobicContact CG-CB 3.81Å; F42-Q73 HydrophobicContact CG-CG 3.7Å; F42-Q73 HydrophobicContact CZ-CG 3.92Å; F42-K78 HydrophobicContact CB-CB 4.25Å; F42-K78 HydrophobicContact CB-CD 4.05Å; F42-N79 PolarHBondContact N-O 2.94Å; F42-V80 HydrophobicContact CB-CB 4.43Å; F42-V80 HydrophobicContact CB-CG1 3.98Å; F42-V80 HydrophobicContact CD1-CG1 4.48Å; F42-V80 CarbonylContact O-C 3.6Å; F42-V80 VanDerWaalsContact O-CA 3.24Å; F42-V80 WeakPolarHBondContact O-CA 2.93Å; F42-L81 PolarHBondContact O-N 3.09Å
43F96.5Very high91.4Very high131 Ų13178.1 Ų78.158%0.57544%0.437SS*.EExtended strand (participates in β ladder)trans-107.1116.9177-180-163.5000109N45 L81 P83F43-N45 HydrophobicContact CE2-CB 4.35Å; F43-L81 HydrophobicContact CD2-CB 4.34Å; F43-L81 HydrophobicContact CD2-CD2 4.23Å; F43-L81 HydrophobicContact CD2-CG 4.2Å; F43-L81 HydrophobicContact CE2-CD2 4.39Å; F43-P83 HydrophobicContact CD2-CG 4.49Å; F43-P83 HydrophobicContact CE2-CG 3.47Å; F43-P83 VanDerWaalsContact CE2-CG 3.47Å; F43-P83 HydrophobicContact CZ-CG 3.99Å
44A97.4Very high91.6Very high11 Ų1177.9 Ų77.99%0.09142%0.419CS..  trans-112.1149.4170.100000110.4F42 C66 V70 L81 L82 P83F42-A44 HydrophobicContact CD1-CB 4.5Å; F42-A44 HydrophobicContact CE1-CB 3.86Å; F42-A44 HydrophobicContact CZ-CB 4.5Å; A44-C66 HydrophobicContact CB-CB 3.95Å; A44-V70 HydrophobicContact CB-CG1 3.62Å; A44-L81 PolarHBondContact N-O 3.48Å; A44-L82 HydrophobicContact CB-CD1 4.22Å; A44-L82 WeakPolarHBondContact O-CD1 3.26Å; A44-P83 VanDerWaalsContact O-CD 3.3Å; A44-P83 WeakPolarHBondContact O-CD 3.47Å
45N96.3Very high92.2Very high119 Ų11977.7 Ų77.764%0.63642%0.416SS*.  trans-133.3153.7174.164-16.5000110.9F43F43-N45 HydrophobicContact CE2-CB 4.35Å
46F97.3Very high92.7Very high28 Ų2874 Ų7412%0.12340%0.398CS..  trans-113.8133.1168.8176.6-109.5000107.7F48 P49 L63 F84F46-F48 PolarHBondContact O-N 3.32Å; F46-P49 HydrophobicContact CE1-CB 4.42Å; F46-P49 HydrophobicContact CE1-CG 4.18Å; F46-L63 HydrophobicContact CB-CD1 3.89Å; F46-L63 HydrophobicContact CD1-CD1 4.36Å; F46-L63 HydrophobicContact CD2-CB 4.23Å; F46-L63 HydrophobicContact CD2-CD1 4.39Å; F46-L63 HydrophobicContact CE2-CB 4.28Å; F46-L63 HydrophobicContact CG-CB 4.47Å; F46-L63 HydrophobicContact CG-CD1 3.96Å; F46-F84 HydrophobicContact CB-CE2 4.31Å; F46-F84 HydrophobicContact CD1-CD2 4.38Å; F46-F84 AromaticContact CD1-CE2 3.44Å; F46-F84 HydrophobicContact CD1-CE2 3.44Å; F46-F84 VanDerWaalsContact CD1-CE2 3.44Å; F46-F84 AromaticContact CD1-CZ 3.64Å; F46-F84 HydrophobicContact CD1-CZ 3.64Å; F46-F84 HydrophobicContact CE1-CE2 4.13Å; F46-F84 AromaticContact CE1-CZ 3.97Å; F46-F84 HydrophobicContact CE1-CZ 3.97Å; F46-F84 HydrophobicContact CG-CE2 4.2Å
47P97.2Very high93.3Very high104 Ų10477.2 Ų77.268%0.67541%0.41SS*.  trans-53.8112.2172.2-25.935.2000109.5
48F96.5Very high94.1Very high76 Ų7670.3 Ų70.333%0.33338%0.381SS..PPolyproline II helixtrans-58.4125.5-172.441.7-81.3000109.7F46 G85 H87 T203F46-F48 PolarHBondContact O-N 3.32Å; F48-G85 WeakPolarHBondContact CB-O 3.42Å; F48-H87 HydrophobicContact CD2-CB 3.47Å; F48-H87 VanDerWaalsContact CD2-CB 3.47Å; F48-H87 AromaticContact CD2-CG 3.64Å; F48-H87 AromaticContact CD2-ND1 3.88Å; F48-H87 HydrophobicContact CE2-CB 3.96Å; F48-H87 AromaticContact CE2-CD2 4Å; F48-H87 AromaticContact CE2-CG 3.57Å; F48-H87 AromaticContact CE2-ND1 3.6Å; F48-T203 HydrophobicContact CD2-CG2 3.9Å; F48-T203 HydrophobicContact CE2-CG2 3.67Å
49P95.9Very high94.8Very high8 Ų868.7 Ų68.75%0.05235%0.352CS..PPolyproline II helixtrans-76.9158-170.828.8-31.6000111.9F46 M51 L55 F84 H87F46-P49 HydrophobicContact CE1-CB 4.42Å; F46-P49 HydrophobicContact CE1-CG 4.18Å; P49-M51 HydrophobicContact CB-CE 4.29Å; P49-M51 HydrophobicContact CG-CE 3.7Å; P49-M51 WeakPolarHBondContact O-CE 3.43Å; P49-L55 HydrophobicContact CB-CD2 3.73Å; P49-L55 HydrophobicContact CG-CD1 4.41Å; P49-L55 HydrophobicContact CG-CD2 3.54Å; P49-F84 HydrophobicContact CG-CE1 3.89Å; P49-F84 HydrophobicContact CG-CZ 3.86Å; P49-H87 WeakPolarHBondContact O-CA 3.25Å; P49-H87 WeakPolarHBondContact O-CB 3.31Å; P49-H87 PolarHBondContact O-N 2.94Å
50Y94.6Very high95.3Very high53 Ų5365.2 Ų65.221%0.20834%0.34CS..BIsolated β-bridgetrans-67.9136.4173-74.8-66.6000112N52 H87 T89 H247Y50-N52 VanDerWaalsContact C-N 3.27Å; Y50-N52 WeakPolarHBondContact CB-OD1 3.45Å; Y50-N52 PolarHBondContact O-N 2.89Å; Y50-H87 WeakPolarHBondContact CA-O 3.28Å; Y50-H87 HydrophobicContact CD1-CB 3.97Å; Y50-H87 AromaticContact CD1-CG 3.81Å; Y50-H87 AromaticContact CD1-ND1 3.98Å; Y50-H87 HydrophobicContact CE1-CB 4.33Å; Y50-H87 AromaticContact CE1-CD2 3.81Å; Y50-H87 AromaticContact CE1-CE1 3.56Å; Y50-H87 AromaticContact CE1-CG 3.66Å; Y50-H87 AromaticContact CE1-ND1 3.5Å; Y50-H87 WeakPolarHBondContact CE1-ND1 3.45Å; Y50-H87 AromaticContact CE1-NE2 3.77Å; Y50-H87 AromaticContact CZ-CE1 3.74Å; Y50-H87 AromaticContact CZ-ND1 3.78Å; Y50-T89 WeakPolarHBondContact CE1-O 3.46Å; Y50-H247 HydrophobicContact CE2-CB 4.44Å; Y50-H247 AromaticContact CE2-ND1 3.65Å; Y50-H247 AromaticContact CZ-ND1 3.7Å; Y50-H247 PolarHBondContact OH-ND1 2.99Å
51M95.3Very high95.5Very high0 Ų067.8 Ų67.80%034%0.344CS..SBendtrans-90.636.4-177-62.8-66.9112.100113.2P49 L86 H87 I93 F180 P181 T184P49-M51 HydrophobicContact CB-CE 4.29Å; P49-M51 HydrophobicContact CG-CE 3.7Å; P49-M51 WeakPolarHBondContact O-CE 3.43Å; M51-L86 HydrophobicContact CE-CB 4.18Å; M51-L86 HydrophobicContact CE-CD2 3.66Å; M51-L86 HydrophobicContact CG-CB 3.94Å; M51-L86 HydrophobicContact SD-CB 3.88Å; M51-L86 HydrophobicContact SD-CD2 3.75Å; M51-L86 HydrophobicContact SD-CG 4.31Å; M51-H87 PolarHBondContact N-O 3.47Å; M51-I93 HydrophobicContact CB-CD1 4.19Å; M51-F180 HydrophobicContact CB-CB 4.2Å; M51-F180 WeakPolarHBondContact O-CB 3.4Å; M51-F180 WeakPolarHBondContact O-CD2 3.48Å; M51-P181 HydrophobicContact CB-CG 4.25Å; M51-P181 HydrophobicContact CG-CG 3.93Å; M51-P181 HydrophobicContact SD-CG 4.13Å; M51-T184 HydrophobicContact CE-CG2 4.26Å; M51-T184 HydrophobicContact SD-CG2 4.5Å
52N91.2Very high95.6Very high51 Ų5163.2 Ų63.227%0.27333%0.331SS..SBendtrans-98.924.1-179.173.6-64.4000113.1Y50 P92 I93 W176Y50-N52 VanDerWaalsContact C-N 3.27Å; Y50-N52 WeakPolarHBondContact CB-OD1 3.45Å; Y50-N52 PolarHBondContact O-N 2.89Å; N52-P92 HydrophobicContact CB-CB 4.28Å; N52-I93 HydrophobicContact CB-CG1 3.87Å; N52-W176 HydrophobicContact CB-CZ3 4.49Å; N52-W176 WeakPolarHBondContact O-CZ3 3.47Å
53G92.6Very high95.7Very high14 Ų1460.8 Ų60.814%0.14432%0.321CS..SBendtrans160.4179.9-176.300000112.6F180G53-F180 VanDerWaalsContact C-CD1 3.46Å; G53-F180 VanDerWaalsContact C-CE1 3.49Å; G53-F180 VanDerWaalsContact CA-CE1 3.45Å; G53-F180 WeakPolarHBondContact O-CD1 3.26Å
54Y94.6Very high95.7Very high76 Ų7655.1 Ų55.130%0.29830%0.298SS..PPolyproline II helixtrans-69.6148.9172.3-61.1-43.8000112.1H56 L160 F179 F180 V183 H187Y54-H56 PolarHBondContact O-N 2.93Å; Y54-L160 HydrophobicContact CD2-CB 4.42Å; Y54-L160 HydrophobicContact CD2-CD2 3.75Å; Y54-L160 HydrophobicContact CE2-CB 3.93Å; Y54-L160 HydrophobicContact CE2-CD2 4.13Å; Y54-F179 HydrophobicContact CE1-CE1 4.07Å; Y54-F180 HydrophobicContact CD1-CD1 4.15Å; Y54-F180 AromaticContact CD1-CE1 3.95Å; Y54-F180 HydrophobicContact CD1-CE1 3.95Å; Y54-F180 HydrophobicContact CE1-CD1 4.31Å; Y54-F180 AromaticContact CE1-CE1 3.95Å; Y54-F180 HydrophobicContact CE1-CE1 3.95Å; Y54-V183 HydrophobicContact CD1-CG1 4.07Å; Y54-V183 HydrophobicContact CE1-CG1 3.7Å; Y54-H187 AromaticContact CD1-CE1 3.94Å
55L95.2Very high95.8Very high38 Ų3860.3 Ų60.320%0.19932%0.318CS..PPolyproline II helixtrans-66.3116.8170.5-60.7-171.9000110.5P49 H59 F84 T184 L188P49-L55 HydrophobicContact CB-CD2 3.73Å; P49-L55 HydrophobicContact CG-CD1 4.41Å; P49-L55 HydrophobicContact CG-CD2 3.54Å; L55-H59 HydrophobicContact CB-CB 4.23Å; L55-H59 HydrophobicContact CD2-CB 4.43Å; L55-F84 HydrophobicContact CD1-CZ 4.5Å; L55-T184 HydrophobicContact CD1-CG2 3.62Å; L55-T184 HydrophobicContact CG-CG2 3.96Å; L55-L188 HydrophobicContact CD1-CD1 4.18Å; L55-L188 HydrophobicContact CD1-CD2 3.98Å; L55-L188 HydrophobicContact CD1-CG 4.15Å
56H93.5Very high95.8Very high116 Ų11655.5 Ų55.554%0.53729%0.293SS..PPolyproline II helixtrans-81.1169.5172.461.350.9000113.5Y54 G58 H59 A60Y54-H56 PolarHBondContact O-N 2.93Å; H56-G58 PolarHBondContact ND1-N 3.49Å; H56-G58 VanDerWaalsContact ND1-N 3.17Å; H56-G58 PolarHBondContact O-N 2.97Å; H56-G58 VanDerWaalsContact O-N 3.08Å; H56-H59 AromaticContact CD2-CE1 3.54Å; H56-H59 AromaticContact CD2-ND1 3.81Å; H56-H59 AromaticContact CE1-CD2 3.94Å; H56-H59 AromaticContact CE1-CE1 3.3Å; H56-H59 PolarHBondContact CE1-CE1 3.42Å; H56-H59 AromaticContact CE1-CG 3.76Å; H56-H59 AromaticContact CE1-ND1 3.35Å; H56-H59 PolarHBondContact CE1-ND1 3.32Å; H56-H59 AromaticContact CE1-NE2 3.66Å; H56-H59 AromaticContact CG-CE1 3.82Å; H56-H59 AromaticContact CG-ND1 3.59Å; H56-H59 PolarHBondContact N-ND1 3.32Å; H56-H59 VanDerWaalsContact N-ND1 3.17Å; H56-H59 AromaticContact ND1-CE1 3.68Å; H56-H59 AromaticContact ND1-CG 3.83Å; H56-H59 PolarHBondContact ND1-N 3.26Å; H56-H59 AromaticContact ND1-ND1 3.29Å; H56-H59 PolarHBondContact ND1-ND1 2.77Å; H56-H59 AromaticContact NE2-CE1 3.21Å; H56-H59 PolarHBondContact NE2-CE1 3.34Å; H56-H59 AromaticContact NE2-ND1 3.68Å; H56-H59 AromaticContact NE2-NE2 3.71Å; H56-H59 WeakPolarHBondContact O-CB 3.46Å; H56-H59 PolarHBondContact O-N 3.22Å; H56-A60 PolarHBondContact O-N 2.99Å
57L95Very high95.8Very high148 Ų14854.9 Ų54.978%0.77529%0.291SS*.Hα-helixtrans-55.8-30.8-177.2-167.964.2000114.6H59 A60 F61L57-H59 VanDerWaalsContact C-N 3.27Å; L57-H59 PolarHBondContact O-N 3.14Å; L57-A60 HydrophobicContact CD1-CB 4.36Å; L57-A60 PolarHBondContact O-N 3.42Å; L57-F61 PolarHBondContact O-N 3.47Å
58G95.2Very high95.8Very high35 Ų3555.9 Ų55.936%0.36129%0.285SS..Hα-helixtrans-60.9-32.1173.200000114.2H56 S62H56-G58 PolarHBondContact ND1-N 3.49Å; H56-G58 VanDerWaalsContact ND1-N 3.17Å; H56-G58 PolarHBondContact O-N 2.97Å; H56-G58 VanDerWaalsContact O-N 3.08Å; G58-S62 PolarHBondContact O-N 2.94Å; G58-S62 PolarHBondContact O-OG 3.14Å
59H96.6Very high95.9Very high46 Ų4653.8 Ų53.821%0.21328%0.281CS..Hα-helixtrans-70.1-46.1173-60.4119.5000110L55 H56 L57 F61 S62 L63L55-H59 HydrophobicContact CB-CB 4.23Å; L55-H59 HydrophobicContact CD2-CB 4.43Å; H56-H59 AromaticContact CD2-CE1 3.54Å; H56-H59 AromaticContact CD2-ND1 3.81Å; H56-H59 AromaticContact CE1-CD2 3.94Å; H56-H59 AromaticContact CE1-CE1 3.3Å; H56-H59 PolarHBondContact CE1-CE1 3.42Å; H56-H59 AromaticContact CE1-CG 3.76Å; H56-H59 AromaticContact CE1-ND1 3.35Å; H56-H59 PolarHBondContact CE1-ND1 3.32Å; H56-H59 AromaticContact CE1-NE2 3.66Å; H56-H59 AromaticContact CG-CE1 3.82Å; H56-H59 AromaticContact CG-ND1 3.59Å; H56-H59 PolarHBondContact N-ND1 3.32Å; H56-H59 VanDerWaalsContact N-ND1 3.17Å; H56-H59 AromaticContact ND1-CE1 3.68Å; H56-H59 AromaticContact ND1-CG 3.83Å; H56-H59 PolarHBondContact ND1-N 3.26Å; H56-H59 AromaticContact ND1-ND1 3.29Å; H56-H59 PolarHBondContact ND1-ND1 2.77Å; H56-H59 AromaticContact NE2-CE1 3.21Å; H56-H59 PolarHBondContact NE2-CE1 3.34Å; H56-H59 AromaticContact NE2-ND1 3.68Å; H56-H59 AromaticContact NE2-NE2 3.71Å; H56-H59 WeakPolarHBondContact O-CB 3.46Å; H56-H59 PolarHBondContact O-N 3.22Å; L57-H59 VanDerWaalsContact C-N 3.27Å; L57-H59 PolarHBondContact O-N 3.14Å; H59-F61 VanDerWaalsContact C-N 3.34Å; H59-F61 PolarHBondContact O-N 3.09Å; H59-S62 PolarHBondContact O-N 3.11Å; H59-S62 VanDerWaalsContact O-N 3.15Å; H59-L63 VanDerWaalsContact O-CB 3.27Å; H59-L63 WeakPolarHBondContact O-CB 3.48Å; H59-L63 PolarHBondContact O-N 3.09Å
60A95.9Very high96Very high29 Ų2953.4 Ų53.424%0.2428%0.279CS..Hα-helixtrans-58.9-44.4176.900000111.7H56 L57 S62 L63 S64H56-A60 PolarHBondContact O-N 2.99Å; L57-A60 HydrophobicContact CD1-CB 4.36Å; L57-A60 PolarHBondContact O-N 3.42Å; A60-S62 VanDerWaalsContact C-N 3.33Å; A60-S62 PolarHBondContact O-N 3.5Å; A60-L63 PolarHBondContact O-N 3.47Å; A60-S64 VanDerWaalsContact O-CB 3.31Å; A60-S64 WeakPolarHBondContact O-CB 3.32Å; A60-S64 PolarHBondContact O-N 3.43Å
61F97.9Very high96.1Very high132 Ų13254.1 Ų54.158%0.57928%0.281SS*.Hα-helixtrans-57.7-44.7174.7171.9-99.7000112.2L57 H59 S64L57-F61 PolarHBondContact O-N 3.47Å; H59-F61 VanDerWaalsContact C-N 3.34Å; H59-F61 PolarHBondContact O-N 3.09Å; F61-S64 PolarHBondContact O-OG 3.31Å
62S97.5Very high96.3Very high58 Ų5860.4 Ų60.441%0.40631%0.306SS..Hα-helixtrans-71.9-43.6-178.5-56.20000112.1G58 H59 A60 S64 K65G58-S62 PolarHBondContact O-N 2.94Å; G58-S62 PolarHBondContact O-OG 3.14Å; H59-S62 PolarHBondContact O-N 3.11Å; H59-S62 VanDerWaalsContact O-N 3.15Å; A60-S62 VanDerWaalsContact C-N 3.33Å; A60-S62 PolarHBondContact O-N 3.5Å; S62-S64 VanDerWaalsContact C-N 3.33Å; S62-S64 PolarHBondContact O-N 3.46Å; S62-K65 PolarHBondContact O-N 2.92Å
63L97.4Very high96.6Very high3 Ų359.7 Ų59.72%0.01630%0.301CS..Hα-helixtrans-62.3-36.7175175.362.2000112.3F46 H59 A60 K65 C66 E67 F84 L188F46-L63 HydrophobicContact CB-CD1 3.89Å; F46-L63 HydrophobicContact CD1-CD1 4.36Å; F46-L63 HydrophobicContact CD2-CB 4.23Å; F46-L63 HydrophobicContact CD2-CD1 4.39Å; F46-L63 HydrophobicContact CE2-CB 4.28Å; F46-L63 HydrophobicContact CG-CB 4.47Å; F46-L63 HydrophobicContact CG-CD1 3.96Å; H59-L63 VanDerWaalsContact O-CB 3.27Å; H59-L63 WeakPolarHBondContact O-CB 3.48Å; H59-L63 PolarHBondContact O-N 3.09Å; A60-L63 PolarHBondContact O-N 3.47Å; L63-K65 PolarHBondContact O-N 3.5Å; L63-C66 PolarHBondContact O-N 3.22Å; L63-C66 PolarHBondContact O-SG 3.38Å; L63-E67 WeakPolarHBondContact O-CB 3.36Å; L63-E67 PolarHBondContact O-N 3.21Å; L63-F84 HydrophobicContact CD1-CD2 4.18Å; L63-F84 HydrophobicContact CD1-CE2 3.78Å; L63-F84 HydrophobicContact CD2-CE2 3.98Å; L63-F84 HydrophobicContact CG-CE2 4.48Å; L63-L188 HydrophobicContact CD2-CD2 3.57Å
64S97.3Very high96.7Very high13 Ų1362.7 Ų62.79%0.09131%0.308CS..Hα-helixtrans-55.1-28.2-179.173.60000113A60 F61 S62 E67 F68A60-S64 VanDerWaalsContact O-CB 3.31Å; A60-S64 WeakPolarHBondContact O-CB 3.32Å; A60-S64 PolarHBondContact O-N 3.43Å; F61-S64 PolarHBondContact O-OG 3.31Å; S62-S64 VanDerWaalsContact C-N 3.33Å; S62-S64 PolarHBondContact O-N 3.46Å; S64-E67 PolarHBondContact O-N 3.41Å; S64-F68 WeakPolarHBondContact O-CB 3.23Å; S64-F68 WeakPolarHBondContact O-CD2 3.28Å; S64-F68 WeakPolarHBondContact O-CG 3.34Å; S64-F68 PolarHBondContact O-N 2.87Å
65K98Very high96.9Very high119 Ų11966.5 Ų66.552%0.51733%0.333SS..Hα-helixtrans-64.4-47.8-179.5-54.8-55.1-178.8-174.40112.2S62 L63 A69S62-K65 PolarHBondContact O-N 2.92Å; L63-K65 PolarHBondContact O-N 3.5Å; K65-A69 WeakPolarHBondContact O-CB 3.27Å; K65-A69 PolarHBondContact O-N 2.99Å
66C96.9Very high96.9Very high18 Ų1872.8 Ų72.812%0.12235%0.354CS..Hα-helixtrans-77.4-31.6176.654.80000111.7A44 L63 A69 V70 L82A44-C66 HydrophobicContact CB-CB 3.95Å; L63-C66 PolarHBondContact O-N 3.22Å; L63-C66 PolarHBondContact O-SG 3.38Å; C66-A69 PolarHBondContact O-N 2.91Å; C66-V70 WeakPolarHBondContact O-CG1 3.31Å; C66-V70 WeakPolarHBondContact O-CG2 3.36Å; C66-V70 PolarHBondContact O-N 3.09Å; C66-L82 HydrophobicContact CB-CD1 4.39Å
67E97.4Very high97Very high15 Ų1570 Ų707%0.0736%0.357CS..Hα-helixtrans-58.9-49.8174.2-169.5-77162.300111.9L63 S64 A69 V70 R71L63-E67 WeakPolarHBondContact O-CB 3.36Å; L63-E67 PolarHBondContact O-N 3.21Å; S64-E67 PolarHBondContact O-N 3.41Å; E67-A69 VanDerWaalsContact C-N 3.32Å; E67-A69 PolarHBondContact O-N 2.75Å; E67-V70 WeakPolarHBondContact O-CG2 3.32Å; E67-V70 PolarHBondContact O-N 2.84Å; E67-R71 PolarHBondContact O-N 3.35Å; E67-R71 VanDerWaalsContact OE1-CD 3.29Å; E67-R71 WeakPolarHBondContact OE1-CD 3.47Å; E67-R71 IonicContact OE1-CZ 3.54Å; E67-R71 IonicContact OE1-NE 3.54Å; E67-R71 PolarHBondContact OE1-NE 3.34Å; E67-R71 IonicContact OE1-NH2 3.53Å
68F98.1Very high96.9Very high126 Ų12666.3 Ų66.355%0.55333%0.334SS*.Hα-helixtrans-63.7-40.1176.1-60.4-30.5000111.3S64 R71 Y72S64-F68 WeakPolarHBondContact O-CB 3.23Å; S64-F68 WeakPolarHBondContact O-CD2 3.28Å; S64-F68 WeakPolarHBondContact O-CG 3.34Å; S64-F68 PolarHBondContact O-N 2.87Å; F68-R71 PolarHBondContact O-N 2.92Å; F68-Y72 WeakPolarHBondContact O-CB 3.43Å; F68-Y72 PolarHBondContact O-N 2.82Å
69A98Very high96.9Very high31 Ų3167.1 Ų67.126%0.25633%0.33SS..Hα-helixtrans-62.5-45179.700000112.2F42 K65 C66 E67 Y72 Q73F42-A69 HydrophobicContact CE1-CB 4.14Å; F42-A69 HydrophobicContact CZ-CB 4.11Å; K65-A69 WeakPolarHBondContact O-CB 3.27Å; K65-A69 PolarHBondContact O-N 2.99Å; C66-A69 PolarHBondContact O-N 2.91Å; E67-A69 VanDerWaalsContact C-N 3.32Å; E67-A69 PolarHBondContact O-N 2.75Å; A69-Y72 PolarHBondContact O-N 3.12Å; A69-Q73 WeakPolarHBondContact O-CB 3.32Å; A69-Q73 WeakPolarHBondContact O-CG 3.36Å; A69-Q73 PolarHBondContact O-N 3.06Å
70V97.6Very high96.9Very high1 Ų165.1 Ų65.11%0.00632%0.321CS..Hα-helixtrans-68.6-37.1-179-630000112.1F42 A44 C66 E67 Q73 R74 V80 L82 A194F42-V70 HydrophobicContact CD1-CG1 3.91Å; F42-V70 HydrophobicContact CE1-CG1 3.79Å; A44-V70 HydrophobicContact CB-CG1 3.62Å; C66-V70 WeakPolarHBondContact O-CG1 3.31Å; C66-V70 WeakPolarHBondContact O-CG2 3.36Å; C66-V70 PolarHBondContact O-N 3.09Å; E67-V70 WeakPolarHBondContact O-CG2 3.32Å; E67-V70 PolarHBondContact O-N 2.84Å; V70-Q73 PolarHBondContact O-N 3.18Å; V70-R74 WeakPolarHBondContact O-CB 3.44Å; V70-R74 PolarHBondContact O-N 3.22Å; V70-V80 HydrophobicContact CB-CB 4.32Å; V70-V80 HydrophobicContact CB-CG2 4.19Å; V70-L82 HydrophobicContact CG1-CB 4.18Å; V70-L82 HydrophobicContact CG2-CB 4.39Å; V70-L82 HydrophobicContact CG2-CD2 4Å; V70-A194 HydrophobicContact CG2-CB 4.22Å
71R97.3Very high97Very high68 Ų6865.4 Ų65.426%0.25732%0.319SS..Hα-helixtrans-65.4-44.3174.8-70-173.4-179.8-85.5-3.5111.6Y29 E67 F68 R74 L75 G192Y29-R71 PolarHBondContact OH-NH1 3.13Å; Y29-R71 PolarHBondContact OH-NH2 2.89Å; Y29-R71 VanDerWaalsContact OH-NH2 3.13Å; E67-R71 PolarHBondContact O-N 3.35Å; E67-R71 VanDerWaalsContact OE1-CD 3.29Å; E67-R71 WeakPolarHBondContact OE1-CD 3.47Å; E67-R71 IonicContact OE1-CZ 3.54Å; E67-R71 IonicContact OE1-NE 3.54Å; E67-R71 PolarHBondContact OE1-NE 3.34Å; E67-R71 IonicContact OE1-NH2 3.53Å; F68-R71 PolarHBondContact O-N 2.92Å; R71-R74 PolarHBondContact O-N 3.45Å; R71-L75 PolarHBondContact O-N 2.92Å; R71-L75 VanDerWaalsContact O-N 3.16Å; R71-G192 PolarHBondContact NH2-O 2.99Å
72Y98.2Very high97Very high132 Ų13259.3 Ų59.352%0.51829%0.292SS..Hα-helixtrans-61.1-45.7175171.6-108.6000112.2F68 A69 R74 L75 R76F68-Y72 WeakPolarHBondContact O-CB 3.43Å; F68-Y72 PolarHBondContact O-N 2.82Å; A69-Y72 PolarHBondContact O-N 3.12Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-R74 PolarHBondContact O-N 3.44Å; Y72-L75 WeakPolarHBondContact O-CB 3.43Å; Y72-L75 PolarHBondContact O-N 3.49Å; Y72-R76 HydrophobicContact CE1-CG 4.14Å; Y72-R76 HydrophobicContact CE2-CG 4.21Å; Y72-R76 WeakPolarHBondContact O-CG 3.42Å; Y72-R76 PolarHBondContact O-N 3.19Å; Y72-R76 VanDerWaalsContact O-N 3.15Å
73Q97.8Very high97Very high35 Ų3557.8 Ų57.816%0.16428%0.281CS..Hα-helixtrans-69-30.7-179.7-65.8-74.1-16.100112.5F42 A69 V70 R76 G77 K78 V80F42-Q73 HydrophobicContact CB-CB 4.05Å; F42-Q73 HydrophobicContact CB-CG 4.4Å; F42-Q73 HydrophobicContact CD1-CB 3.88Å; F42-Q73 HydrophobicContact CD1-CG 3.81Å; F42-Q73 HydrophobicContact CD2-CB 4.29Å; F42-Q73 HydrophobicContact CD2-CG 3.71Å; F42-Q73 HydrophobicContact CE1-CB 4.4Å; F42-Q73 HydrophobicContact CE1-CG 3.91Å; F42-Q73 HydrophobicContact CE2-CG 3.82Å; F42-Q73 HydrophobicContact CG-CB 3.81Å; F42-Q73 HydrophobicContact CG-CG 3.7Å; F42-Q73 HydrophobicContact CZ-CG 3.92Å; A69-Q73 WeakPolarHBondContact O-CB 3.32Å; A69-Q73 WeakPolarHBondContact O-CG 3.36Å; A69-Q73 PolarHBondContact O-N 3.06Å; V70-Q73 PolarHBondContact O-N 3.18Å; Q73-R76 CarbonylContact O-C 3.53Å; Q73-R76 WeakPolarHBondContact O-CA 3.49Å; Q73-R76 WeakPolarHBondContact O-CB 3.41Å; Q73-R76 PolarHBondContact O-N 3.11Å; Q73-R76 VanDerWaalsContact O-N 3.11Å; Q73-G77 PolarHBondContact O-N 3.04Å; Q73-K78 HydrophobicContact CB-CD 4.49Å; Q73-K78 WeakPolarHBondContact O-CB 3.43Å; Q73-K78 PolarHBondContact O-N 3.06Å; Q73-K78 VanDerWaalsContact O-N 3.16Å; Q73-K78 VanDerWaalsContact OE1-CD 3.27Å; Q73-V80 HydrophobicContact CB-CG1 3.91Å
74R96.1Very high97Very high78 Ų7857.8 Ų57.829%0.29428%0.281SS..Hα-helixtrans-62.2-43.1170.8-173.9178-76.9123.4-4.9111.2Y29 V70 R71 Y72 R76 G77 V80Y29-R74 VanDerWaalsContact CD1-NH2 3.31Å; V70-R74 WeakPolarHBondContact O-CB 3.44Å; V70-R74 PolarHBondContact O-N 3.22Å; R71-R74 PolarHBondContact O-N 3.45Å; Y72-R74 VanDerWaalsContact C-N 3.32Å; Y72-R74 PolarHBondContact O-N 3.44Å; R74-R76 PolarHBondContact O-N 2.81Å; R74-G77 PolarHBondContact O-N 3.34Å; R74-V80 HydrophobicContact CB-CG1 4Å; R74-V80 HydrophobicContact CB-CG2 3.99Å; R74-V80 HydrophobicContact CG-CG2 4.48Å
75L97.4Very high97.1Very high155 Ų15557.6 Ų57.681%0.81228%0.28SS*.Hα-helixtrans-63.5-25.1173.2-66.8174.7000113R71 Y72 G77R71-L75 PolarHBondContact O-N 2.92Å; R71-L75 VanDerWaalsContact O-N 3.16Å; Y72-L75 WeakPolarHBondContact O-CB 3.43Å; Y72-L75 PolarHBondContact O-N 3.49Å; L75-G77 PolarHBondContact O-N 3.2Å
76R96.6Very high97.1Very high171 Ų17152.1 Ų52.165%0.64526%0.257SS*.THydrogen-bonded Turntrans-81.17.8173.2-63.1-71.5-64.1-171.9-0.6113.3Y72 Q73 R74Y72-R76 HydrophobicContact CE1-CG 4.14Å; Y72-R76 HydrophobicContact CE2-CG 4.21Å; Y72-R76 WeakPolarHBondContact O-CG 3.42Å; Y72-R76 PolarHBondContact O-N 3.19Å; Y72-R76 VanDerWaalsContact O-N 3.15Å; Q73-R76 CarbonylContact O-C 3.53Å; Q73-R76 WeakPolarHBondContact O-CA 3.49Å; Q73-R76 WeakPolarHBondContact O-CB 3.41Å; Q73-R76 PolarHBondContact O-N 3.11Å; Q73-R76 VanDerWaalsContact O-N 3.11Å; R74-R76 PolarHBondContact O-N 2.81Å
77G93.9Very high97.1Very high58 Ų5853.1 Ų53.160%0.59826%0.259SS*.THydrogen-bonded Turntrans79.513177.100000114.9Q73 R74 L75Q73-G77 PolarHBondContact O-N 3.04Å; R74-G77 PolarHBondContact O-N 3.34Å; L75-G77 PolarHBondContact O-N 3.2Å
78K94.6Very high97Very high70 Ų7052.7 Ų52.730%0.30426%0.258SS..  trans-83.3145.1177.3-57.2-161.2178.1164.70111.7P40 F42 Q73 V80P40-K78 HydrophobicContact CB-CD 4.5Å; P40-K78 HydrophobicContact CB-CG 4.11Å; P40-K78 CarbonylContact O-C 3.59Å; P40-K78 WeakPolarHBondContact O-CA 3.26Å; P40-K78 WeakPolarHBondContact O-CB 3.44Å; F42-K78 HydrophobicContact CB-CB 4.25Å; F42-K78 HydrophobicContact CB-CD 4.05Å; Q73-K78 HydrophobicContact CB-CD 4.49Å; Q73-K78 WeakPolarHBondContact O-CB 3.43Å; Q73-K78 PolarHBondContact O-N 3.06Å; Q73-K78 VanDerWaalsContact O-N 3.16Å; Q73-K78 VanDerWaalsContact OE1-CD 3.27Å; K78-V80 HydrophobicContact CB-CG1 4.2Å; K78-V80 WeakPolarHBondContact O-CG1 3.27Å; K78-V80 PolarHBondContact O-N 3.38Å
79N94.3Very high96.8Very high51 Ų5149.7 Ų49.727%0.27325%0.25SS..EExtended strand (participates in β ladder)trans-73.3107.2165.7-173.13000109.1P31 D32 P40 K41 F42P31-N79 VanDerWaalsContact CB-OD1 3.25Å; P31-N79 WeakPolarHBondContact CB-OD1 3.27Å; D32-N79 PolarHBondContact O-ND2 2.94Å; P40-N79 PolarHBondContact O-N 3.28Å; K41-N79 CarbonylContact C-O 3.53Å; K41-N79 VanDerWaalsContact CA-O 3.25Å; K41-N79 WeakPolarHBondContact CA-O 3.43Å; F42-N79 PolarHBondContact N-O 2.94Å
80V96.8Very high96.3Very high4 Ų450.2 Ų50.22%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-104134.9-170.9-48.10000112.2P31 F42 V70 Q73 R74 K78P31-V80 WeakPolarHBondContact CG-O 3.44Å; F42-V80 HydrophobicContact CB-CB 4.43Å; F42-V80 HydrophobicContact CB-CG1 3.98Å; F42-V80 HydrophobicContact CD1-CG1 4.48Å; F42-V80 CarbonylContact O-C 3.6Å; F42-V80 VanDerWaalsContact O-CA 3.24Å; F42-V80 WeakPolarHBondContact O-CA 2.93Å; V70-V80 HydrophobicContact CB-CB 4.32Å; V70-V80 HydrophobicContact CB-CG2 4.19Å; Q73-V80 HydrophobicContact CB-CG1 3.91Å; R74-V80 HydrophobicContact CB-CG1 4Å; R74-V80 HydrophobicContact CB-CG2 3.99Å; R74-V80 HydrophobicContact CG-CG2 4.48Å; K78-V80 HydrophobicContact CB-CG1 4.2Å; K78-V80 WeakPolarHBondContact O-CG1 3.27Å; K78-V80 PolarHBondContact O-N 3.38Å
81L97.3Very high95.9Very high36 Ų3652.2 Ų52.219%0.18827%0.268CS..EExtended strand (participates in β ladder)trans-121.4127.7174.2176.962.4000110.3P31 F42 F43 A44 D196P31-L81 HydrophobicContact CG-CB 4.38Å; P31-L81 HydrophobicContact CG-CD1 3.98Å; F42-L81 PolarHBondContact O-N 3.09Å; F43-L81 HydrophobicContact CD2-CB 4.34Å; F43-L81 HydrophobicContact CD2-CD2 4.23Å; F43-L81 HydrophobicContact CD2-CG 4.2Å; F43-L81 HydrophobicContact CE2-CD2 4.39Å; A44-L81 PolarHBondContact N-O 3.48Å; L81-D196 HydrophobicContact CD1-CB 3.99Å
82L98Very high95.5Very high4 Ų450 Ų502%0.02126%0.263CS..  trans-127.9100.6167.2-177.161.1000108.6A44 C66 V70 A194 V195 D196A44-L82 HydrophobicContact CB-CD1 4.22Å; A44-L82 WeakPolarHBondContact O-CD1 3.26Å; C66-L82 HydrophobicContact CB-CD1 4.39Å; V70-L82 HydrophobicContact CG1-CB 4.18Å; V70-L82 HydrophobicContact CG2-CB 4.39Å; V70-L82 HydrophobicContact CG2-CD2 4Å; L82-A194 WeakPolarHBondContact CB-O 3.4Å; L82-V195 HydrophobicContact CD2-CG2 4.01Å; L82-V195 HydrophobicContact CG-CG2 4.09Å; L82-V195 CarbonylContact O-C 3.44Å; L82-V195 WeakPolarHBondContact O-CA 3.42Å; L82-V195 WeakPolarHBondContact O-CG1 3.34Å; L82-D196 PolarHBondContact O-N 3.35Å
83P97.7Very high95.2Very high25 Ų2544 Ų4416%0.16224%0.24CC..  trans-88.8164.1170.435-27000110.3F43 A44 R199F43-P83 HydrophobicContact CD2-CG 4.49Å; F43-P83 HydrophobicContact CE2-CG 3.47Å; F43-P83 VanDerWaalsContact CE2-CG 3.47Å; F43-P83 HydrophobicContact CZ-CG 3.99Å; A44-P83 VanDerWaalsContact O-CD 3.3Å; A44-P83 WeakPolarHBondContact O-CD 3.47Å; P83-R199 HydrophobicContact CB-CB 4.12Å
84F98.4Very high94.9Very high4 Ų446.7 Ų46.72%0.01825%0.251CS..  trans-140.8110.1177.5-157.3-77.8000111.3F46 P49 L55 L63 L86 L188 V195 W197 S200F46-F84 HydrophobicContact CB-CE2 4.31Å; F46-F84 HydrophobicContact CD1-CD2 4.38Å; F46-F84 AromaticContact CD1-CE2 3.44Å; F46-F84 HydrophobicContact CD1-CE2 3.44Å; F46-F84 VanDerWaalsContact CD1-CE2 3.44Å; F46-F84 AromaticContact CD1-CZ 3.64Å; F46-F84 HydrophobicContact CD1-CZ 3.64Å; F46-F84 HydrophobicContact CE1-CE2 4.13Å; F46-F84 AromaticContact CE1-CZ 3.97Å; F46-F84 HydrophobicContact CE1-CZ 3.97Å; F46-F84 HydrophobicContact CG-CE2 4.2Å; P49-F84 HydrophobicContact CG-CE1 3.89Å; P49-F84 HydrophobicContact CG-CZ 3.86Å; L55-F84 HydrophobicContact CD1-CZ 4.5Å; L63-F84 HydrophobicContact CD1-CD2 4.18Å; L63-F84 HydrophobicContact CD1-CE2 3.78Å; L63-F84 HydrophobicContact CD2-CE2 3.98Å; L63-F84 HydrophobicContact CG-CE2 4.48Å; F84-L86 HydrophobicContact CD1-CD2 3.98Å; F84-L86 HydrophobicContact CE1-CD2 3.93Å; F84-L188 HydrophobicContact CD1-CD1 3.87Å; F84-L188 HydrophobicContact CD2-CD1 4.06Å; F84-L188 HydrophobicContact CE1-CD1 3.6Å; F84-L188 HydrophobicContact CE2-CD1 3.79Å; F84-L188 HydrophobicContact CG-CD1 4.09Å; F84-L188 HydrophobicContact CZ-CD1 3.56Å; F84-V195 HydrophobicContact CB-CG1 3.68Å; F84-V195 HydrophobicContact CB-CG2 4.26Å; F84-W197 HydrophobicContact CB-CZ3 4.46Å; F84-S200 WeakPolarHBondContact O-CA 3.32Å; F84-S200 WeakPolarHBondContact O-CB 3.5Å
85G97.8Very high94.5Very high8 Ų845.3 Ų45.38%0.08226%0.256CS..  trans-87169.1172.900000112.5F48F48-G85 WeakPolarHBondContact CB-O 3.42Å
86L98.1Very high94.2Very high4 Ų438.9 Ų38.92%0.02122%0.224CC..BIsolated β-bridgetrans-132.5110.6-176.6-57.8167.1000109.6M51 F84 C88 P181 T184 I185 F201 I202 T203M51-L86 HydrophobicContact CE-CB 4.18Å; M51-L86 HydrophobicContact CE-CD2 3.66Å; M51-L86 HydrophobicContact CG-CB 3.94Å; M51-L86 HydrophobicContact SD-CB 3.88Å; M51-L86 HydrophobicContact SD-CD2 3.75Å; M51-L86 HydrophobicContact SD-CG 4.31Å; F84-L86 HydrophobicContact CD1-CD2 3.98Å; F84-L86 HydrophobicContact CE1-CD2 3.93Å; L86-C88 PolarHBondContact O-N 3.44Å; L86-P181 HydrophobicContact CD1-CB 3.68Å; L86-T184 HydrophobicContact CD2-CG2 3.71Å; L86-I185 HydrophobicContact CD1-CD1 3.98Å; L86-I185 HydrophobicContact CD1-CG1 4.05Å; L86-F201 PolarHBondContact N-O 2.74Å; L86-I202 HydrophobicContact CB-CG2 4.37Å; L86-T203 WeakPolarHBondContact O-CG2 3.34Å
87H97.3Very high94.1Very high39 Ų3930.7 Ų30.718%0.18119%0.193CC..BIsolated β-bridgetrans-79.9108.7-171.4-153.1162.3000111.3F48 P49 Y50 M51 T89 T203F48-H87 HydrophobicContact CD2-CB 3.47Å; F48-H87 VanDerWaalsContact CD2-CB 3.47Å; F48-H87 AromaticContact CD2-CG 3.64Å; F48-H87 AromaticContact CD2-ND1 3.88Å; F48-H87 HydrophobicContact CE2-CB 3.96Å; F48-H87 AromaticContact CE2-CD2 4Å; F48-H87 AromaticContact CE2-CG 3.57Å; F48-H87 AromaticContact CE2-ND1 3.6Å; P49-H87 WeakPolarHBondContact O-CA 3.25Å; P49-H87 WeakPolarHBondContact O-CB 3.31Å; P49-H87 PolarHBondContact O-N 2.94Å; Y50-H87 WeakPolarHBondContact CA-O 3.28Å; Y50-H87 HydrophobicContact CD1-CB 3.97Å; Y50-H87 AromaticContact CD1-CG 3.81Å; Y50-H87 AromaticContact CD1-ND1 3.98Å; Y50-H87 HydrophobicContact CE1-CB 4.33Å; Y50-H87 AromaticContact CE1-CD2 3.81Å; Y50-H87 AromaticContact CE1-CE1 3.56Å; Y50-H87 AromaticContact CE1-CG 3.66Å; Y50-H87 AromaticContact CE1-ND1 3.5Å; Y50-H87 WeakPolarHBondContact CE1-ND1 3.45Å; Y50-H87 AromaticContact CE1-NE2 3.77Å; Y50-H87 AromaticContact CZ-CE1 3.74Å; Y50-H87 AromaticContact CZ-ND1 3.78Å; M51-H87 PolarHBondContact N-O 3.47Å; H87-T89 PolarHBondContact CD2-O 3Å; H87-T89 VanDerWaalsContact CD2-O 3.31Å; H87-T89 PolarHBondContact NE2-O 3.32Å; H87-T203 PolarHBondContact CD2-OG1 3Å
88C96.1Very high94Very high6 Ų631 Ų314%0.04118%0.181CC..  trans-109.3-15.1176-63.20000113L86 I93 I177 T203 T204L86-C88 PolarHBondContact O-N 3.44Å; C88-I93 HydrophobicContact CB-CD1 4.24Å; C88-I177 HydrophobicContact CB-CD1 4.27Å; C88-I177 HydrophobicContact CB-CG1 4.07Å; C88-I177 HydrophobicContact CB-CG2 4.45Å; C88-T203 PolarHBondContact N-OG1 2.67Å; C88-T204 HydrophobicContact CB-CG2 3.71Å; C88-T204 WeakPolarHBondContact O-CG2 3.36Å
89T94.2Very high93.8Very high63 Ų6331.4 Ų31.439%0.38718%0.183SC..  trans-71.5136.9177.3-47.10000110.9Y50 H87 T203Y50-T89 WeakPolarHBondContact CE1-O 3.46Å; H87-T89 PolarHBondContact CD2-O 3Å; H87-T89 VanDerWaalsContact CD2-O 3.31Å; H87-T89 PolarHBondContact NE2-O 3.32Å; T89-T203 PolarHBondContact N-OG1 3.18Å; T89-T203 VanDerWaalsContact OG1-CB 3.3Å; T89-T203 WeakPolarHBondContact OG1-CB 3.45Å; T89-T203 PolarHBondContact OG1-O 3.04Å; T89-T203 PolarHBondContact OG1-OG1 2.81Å
90G87.3Confident93.7Very high42 Ų4229 Ų2943%0.43317%0.17SC..SBendtrans118179.2173.100000114.1P92G90-P92 VanDerWaalsContact C-CD 3.49Å
91M88.6Confident93.6Very high44 Ų4433.9 Ų33.922%0.21719%0.191CC..Hα-helixtrans-79.4-24.8-173-65.1-58.9-69.100117.3I93 K94 A95 Q242 D248M91-I93 VanDerWaalsContact C-N 3.31Å; M91-I93 PolarHBondContact O-N 3.48Å; M91-K94 PolarHBondContact O-N 2.88Å; M91-A95 VanDerWaalsContact O-CB 3.25Å; M91-A95 WeakPolarHBondContact O-CB 3.48Å; M91-A95 PolarHBondContact O-N 3.31Å; M91-Q242 VanDerWaalsContact CG-NE2 3.35Å; M91-Q242 PolarHBondContact SD-NE2 3.03Å; M91-D248 HydrophobicContact CB-CB 4.21Å; M91-D248 WeakPolarHBondContact CB-OD1 3.36Å; M91-D248 HydrophobicContact CG-CB 4.37Å; M91-D248 WeakPolarHBondContact CG-OD1 3.31Å
92P88.5Confident93.3Very high21 Ų2134.6 Ų34.614%0.13620%0.202CC..Hα-helixtrans-56.7-40-173.2-30.536.2000115N52 G90 S96N52-P92 HydrophobicContact CB-CB 4.28Å; G90-P92 VanDerWaalsContact C-CD 3.49Å; P92-S96 WeakPolarHBondContact O-CB 3.33Å; P92-S96 PolarHBondContact O-N 3.38Å; P92-S96 PolarHBondContact O-OG 3.28Å
93I92.1Very high93Very high6 Ų635 Ų353%0.03120%0.204CC..Hα-helixtrans-67.5-53.6178-63.3176.5000109.5M51 N52 C88 M91 A95 S96 A97 A173 W176 I177M51-I93 HydrophobicContact CB-CD1 4.19Å; N52-I93 HydrophobicContact CB-CG1 3.87Å; C88-I93 HydrophobicContact CB-CD1 4.24Å; M91-I93 VanDerWaalsContact C-N 3.31Å; M91-I93 PolarHBondContact O-N 3.48Å; I93-A95 PolarHBondContact O-N 3.49Å; I93-S96 PolarHBondContact O-N 3.47Å; I93-S96 VanDerWaalsContact O-N 3.13Å; I93-A97 PolarHBondContact O-N 2.89Å; I93-A173 HydrophobicContact CG2-CB 4.05Å; I93-W176 HydrophobicContact CG2-CB 3.56Å; I93-W176 HydrophobicContact CG2-CD2 4.17Å; I93-W176 HydrophobicContact CG2-CG 3.68Å; I93-I177 HydrophobicContact CD1-CG1 4.48Å
94K91.4Very high92.8Very high91 Ų9135.3 Ų35.340%0.39620%0.204SC..Hα-helixtrans-59.7-43.7-178.8-176.954173.81590112.4M91 S96 A97 D98 A173M91-K94 PolarHBondContact O-N 2.88Å; K94-S96 VanDerWaalsContact C-N 3.32Å; K94-S96 PolarHBondContact O-N 3.04Å; K94-A97 PolarHBondContact O-N 3.21Å; K94-D98 VanDerWaalsContact CE-OD1 3.29Å; K94-D98 WeakPolarHBondContact CE-OD1 3.43Å; K94-D98 WeakPolarHBondContact CE-OD2 3.17Å; K94-D98 IonicContact NZ-OD1 2.88Å; K94-D98 PolarHBondContact NZ-OD1 3.26Å; K94-D98 IonicContact NZ-OD2 2.79Å; K94-D98 WeakPolarHBondContact O-CB 3.31Å; K94-D98 VanDerWaalsContact O-CG 3.25Å; K94-D98 PolarHBondContact O-N 3.22Å; K94-A173 HydrophobicContact CD-CB 4.21Å
95A88.7Confident92.5Very high50 Ų5041.1 Ų41.141%0.41324%0.235SC..Hα-helixtrans-63.1-36.4176.900000112.8M91 I93 K99M91-A95 VanDerWaalsContact O-CB 3.25Å; M91-A95 WeakPolarHBondContact O-CB 3.48Å; M91-A95 PolarHBondContact O-N 3.31Å; I93-A95 PolarHBondContact O-N 3.49Å; A95-K99 VanDerWaalsContact O-CB 3.22Å; A95-K99 WeakPolarHBondContact O-CB 3.37Å; A95-K99 PolarHBondContact O-N 2.92Å
96S91.2Very high92.2Very high19 Ų1947.4 Ų47.413%0.13326%0.262CS..Hα-helixtrans-71-42.5176.7-55.40000111.2P92 I93 K94 K99 L100P92-S96 WeakPolarHBondContact O-CB 3.33Å; P92-S96 PolarHBondContact O-N 3.38Å; P92-S96 PolarHBondContact O-OG 3.28Å; I93-S96 PolarHBondContact O-N 3.47Å; I93-S96 VanDerWaalsContact O-N 3.13Å; K94-S96 VanDerWaalsContact C-N 3.32Å; K94-S96 PolarHBondContact O-N 3.04Å; S96-K99 PolarHBondContact O-N 3.44Å; S96-L100 PolarHBondContact O-N 3.49Å
97A93.8Very high91.9Very high0 Ų049.4 Ų49.40%027%0.271CS..Hα-helixtrans-62.6-47.6175.500000112I93 K94 K99 L100 K101 F170 A173I93-A97 PolarHBondContact O-N 2.89Å; K94-A97 PolarHBondContact O-N 3.21Å; A97-K99 VanDerWaalsContact C-N 3.32Å; A97-K99 PolarHBondContact O-N 3.44Å; A97-L100 PolarHBondContact O-N 2.87Å; A97-K101 WeakPolarHBondContact O-CB 3.41Å; A97-K101 PolarHBondContact O-N 2.79Å; A97-F170 WeakPolarHBondContact CA-O 3.4Å; A97-F170 WeakPolarHBondContact CB-O 3.48Å; A97-A173 HydrophobicContact CB-CB 4.18Å
98D91.9Very high91.5Very high64 Ų6449.2 Ų49.234%0.34228%0.279SS..Hα-helixtrans-66-34.4178.5-69.7-18.1000112.1K94 A102K94-D98 VanDerWaalsContact CE-OD1 3.29Å; K94-D98 WeakPolarHBondContact CE-OD1 3.43Å; K94-D98 WeakPolarHBondContact CE-OD2 3.17Å; K94-D98 IonicContact NZ-OD1 2.88Å; K94-D98 PolarHBondContact NZ-OD1 3.26Å; K94-D98 IonicContact NZ-OD2 2.79Å; K94-D98 WeakPolarHBondContact O-CB 3.31Å; K94-D98 VanDerWaalsContact O-CG 3.25Å; K94-D98 PolarHBondContact O-N 3.22Å; D98-A102 WeakPolarHBondContact O-CB 3.38Å; D98-A102 PolarHBondContact O-N 2.98Å
99K90.5Very high91Very high78 Ų7852.5 Ų52.534%0.33930%0.301SS..Hα-helixtrans-65.3-44.6173.2-176.2178.5171.9-163.50111.2A95 S96 A97 A102 E103 R151 Q153A95-K99 VanDerWaalsContact O-CB 3.22Å; A95-K99 WeakPolarHBondContact O-CB 3.37Å; A95-K99 PolarHBondContact O-N 2.92Å; S96-K99 PolarHBondContact O-N 3.44Å; A97-K99 VanDerWaalsContact C-N 3.32Å; A97-K99 PolarHBondContact O-N 3.44Å; K99-A102 PolarHBondContact O-N 2.81Å; K99-E103 WeakPolarHBondContact CE-OE1 3.28Å; K99-E103 VanDerWaalsContact O-CG 3.32Å; K99-E103 WeakPolarHBondContact O-CG 3.49Å; K99-E103 PolarHBondContact O-N 3.03Å; K99-R151 PolarHBondContact NZ-O 3.12Å; K99-Q153 HydrophobicContact CB-CB 4.39Å; K99-Q153 HydrophobicContact CD-CB 3.88Å; K99-Q153 HydrophobicContact CG-CB 3.91Å
100L92.8Very high90.6Very high0 Ų052 Ų520%030%0.299CS..Hα-helixtrans-63-44.8176.7-167.176.2000111.2S96 A97 A102 E103 M104 Q153 W154 M157 I167 F170S96-L100 PolarHBondContact O-N 3.49Å; A97-L100 PolarHBondContact O-N 2.87Å; L100-A102 PolarHBondContact O-N 2.9Å; L100-E103 PolarHBondContact O-N 2.99Å; L100-M104 HydrophobicContact CG-SD 4.32Å; L100-M104 WeakPolarHBondContact O-CG 3.27Å; L100-M104 PolarHBondContact O-N 2.98Å; L100-Q153 HydrophobicContact CB-CG 4.19Å; L100-Q153 HydrophobicContact CD1-CB 4.23Å; L100-Q153 HydrophobicContact CD1-CG 4.1Å; L100-W154 HydrophobicContact CD1-CB 4.05Å; L100-W154 HydrophobicContact CD1-CE3 3.95Å; L100-M157 HydrophobicContact CD1-CG 4.4Å; L100-I167 HydrophobicContact CD1-CG2 3.82Å; L100-I167 HydrophobicContact CD2-CG2 3.86Å; L100-I167 WeakPolarHBondContact CD2-O 3.47Å; L100-I167 HydrophobicContact CG-CG2 4.37Å; L100-F170 HydrophobicContact CD2-CB 3.66Å
101K93.5Very high90.6Very high107 Ų10750.7 Ų50.747%0.46528%0.283SS..Hα-helixtrans-57.4-48.7175-174.8173.1-179173.20111.7A97 E103 M104 D105A97-K101 WeakPolarHBondContact O-CB 3.41Å; A97-K101 PolarHBondContact O-N 2.79Å; K101-E103 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.07Å; K101-M104 PolarHBondContact O-N 3.24Å; K101-D105 WeakPolarHBondContact O-CB 3.49Å; K101-D105 VanDerWaalsContact O-CG 3.23Å; K101-D105 PolarHBondContact O-N 2.96Å
102A91.7Very high90.6Very high51 Ų5157.1 Ų57.142%0.42131%0.31SS..Hα-helixtrans-62.6-38.2178.100000112.7D98 K99 L100 Q106D98-A102 WeakPolarHBondContact O-CB 3.38Å; D98-A102 PolarHBondContact O-N 2.98Å; K99-A102 PolarHBondContact O-N 2.81Å; L100-A102 PolarHBondContact O-N 2.9Å; A102-Q106 WeakPolarHBondContact O-CB 3.45Å; A102-Q106 PolarHBondContact O-N 3.14Å
103E92.1Very high90.5Very high12 Ų1258.6 Ų58.66%0.05631%0.314CS..Hα-helixtrans-64.7-41.5174.9-74.2170.4-172.900111.6K99 L100 K101 Q106 F107 F113 Y152 Q153 W154K99-E103 WeakPolarHBondContact CE-OE1 3.28Å; K99-E103 VanDerWaalsContact O-CG 3.32Å; K99-E103 WeakPolarHBondContact O-CG 3.49Å; K99-E103 PolarHBondContact O-N 3.03Å; L100-E103 PolarHBondContact O-N 2.99Å; K101-E103 VanDerWaalsContact C-N 3.33Å; K101-E103 PolarHBondContact O-N 3.07Å; E103-Q106 PolarHBondContact O-N 2.76Å; E103-F107 WeakPolarHBondContact O-CB 3.31Å; E103-F107 WeakPolarHBondContact O-CD2 3.2Å; E103-F107 PolarHBondContact O-N 2.8Å; E103-F113 HydrophobicContact CB-CE1 4.19Å; E103-F113 HydrophobicContact CB-CZ 4.42Å; E103-F113 HydrophobicContact CG-CE1 4.14Å; E103-F113 HydrophobicContact CG-CZ 4.49Å; E103-Y152 HydrophobicContact CG-CD1 4.19Å; E103-Y152 VanDerWaalsContact OE1-CA 3.28Å; E103-Y152 WeakPolarHBondContact OE1-CA 3.19Å; E103-Q153 VanDerWaalsContact CD-N 3.27Å; E103-Q153 PolarHBondContact OE1-N 2.99Å; E103-Q153 WeakPolarHBondContact OE2-CA 3.48Å; E103-Q153 WeakPolarHBondContact OE2-CB 3.32Å; E103-Q153 PolarHBondContact OE2-N 2.78Å; E103-W154 PolarHBondContact OE2-N 2.91Å
104M92Very high90Very high33 Ų3362 Ų6216%0.16334%0.337CS..Hα-helixtrans-66.6-45.3176.1-70.9169.753.100112.3L100 K101 Q106 G108 C109 W154 A168L100-M104 HydrophobicContact CG-SD 4.32Å; L100-M104 WeakPolarHBondContact O-CG 3.27Å; L100-M104 PolarHBondContact O-N 2.98Å; K101-M104 PolarHBondContact O-N 3.24Å; M104-Q106 VanDerWaalsContact C-N 3.28Å; M104-Q106 PolarHBondContact O-N 3.09Å; M104-G108 WeakPolarHBondContact CA-O 3.41Å; M104-G108 CarbonylContact O-C 3.49Å; M104-G108 VanDerWaalsContact O-CA 3.27Å; M104-G108 WeakPolarHBondContact O-CA 3.34Å; M104-G108 PolarHBondContact O-N 2.64Å; M104-C109 HydrophobicContact CE-CB 4.15Å; M104-W154 HydrophobicContact CG-CE3 4.1Å; M104-W154 HydrophobicContact CG-CZ3 3.94Å; M104-W154 HydrophobicContact SD-CE3 4.48Å; M104-W154 HydrophobicContact SD-CZ3 4Å; M104-A168 HydrophobicContact CE-CB 3.91Å; M104-A168 HydrophobicContact SD-CB 4.37Å
105D92.2Very high88.8Confident125 Ų12565.8 Ų65.867%0.66836%0.359SS*.Hα-helixtrans-63.2-35.7178.5-69-17.3000111.3K101K101-D105 WeakPolarHBondContact O-CB 3.49Å; K101-D105 VanDerWaalsContact O-CG 3.23Å; K101-D105 PolarHBondContact O-N 2.96Å
106Q91.4Very high87.3Confident141 Ų14168.8 Ų68.866%0.65936%0.363SS*.Hα-helixtrans-85.2-36.2-177.4-173174.69.100113.9A102 E103 M104A102-Q106 WeakPolarHBondContact O-CB 3.45Å; A102-Q106 PolarHBondContact O-N 3.14Å; E103-Q106 PolarHBondContact O-N 2.76Å; M104-Q106 VanDerWaalsContact C-N 3.28Å; M104-Q106 PolarHBondContact O-N 3.09Å
107F91.9Very high84.7Confident46 Ų4674 Ų7420%0.20239%0.394CS..Hα-helixtrans-121.3-2.6-169-56.1-70.8000114.5E103 P111 K112 F113 P114 Y152E103-F107 WeakPolarHBondContact O-CB 3.31Å; E103-F107 WeakPolarHBondContact O-CD2 3.2Å; E103-F107 PolarHBondContact O-N 2.8Å; F107-P111 HydrophobicContact CB-CB 3.63Å; F107-P111 WeakPolarHBondContact O-CA 3.4Å; F107-K112 PolarHBondContact O-N 2.93Å; F107-F113 HydrophobicContact CB-CD1 4.39Å; F107-F113 HydrophobicContact CB-CE1 4.47Å; F107-F113 HydrophobicContact CD1-CD1 4.47Å; F107-F113 AromaticContact CD2-CD1 3.62Å; F107-F113 HydrophobicContact CD2-CD1 3.62Å; F107-F113 AromaticContact CD2-CE1 3.59Å; F107-F113 HydrophobicContact CD2-CE1 3.59Å; F107-F113 AromaticContact CE2-CD1 3.95Å; F107-F113 HydrophobicContact CE2-CD1 3.95Å; F107-F113 HydrophobicContact CE2-CE1 4.09Å; F107-F113 AromaticContact CG-CD1 3.91Å; F107-F113 HydrophobicContact CG-CD1 3.91Å; F107-F113 HydrophobicContact CG-CE1 4.18Å; F107-P114 HydrophobicContact CE1-CG 4.31Å; F107-Y152 HydrophobicContact CE2-CE1 4.23Å
108G89.7Confident81.6Confident34 Ų3482.9 Ų82.935%0.35144%0.435SS..THydrogen-bonded Turntrans94.9-178.3-177.900000114.2M104 P110 P111M104-G108 WeakPolarHBondContact CA-O 3.41Å; M104-G108 CarbonylContact O-C 3.49Å; M104-G108 VanDerWaalsContact O-CA 3.27Å; M104-G108 WeakPolarHBondContact O-CA 3.34Å; M104-G108 PolarHBondContact O-N 2.64Å; G108-P110 CarbonylContact C-O 3.56Å; G108-P110 CarbonylContact O-C 3.37Å; G108-P111 WeakPolarHBondContact O-CA 3.32Å; G108-P111 WeakPolarHBondContact O-CB 3.36Å; G108-P111 VanDerWaalsContact O-N 3.09Å
109C86.1Confident78.5Confident76 Ų7685.6 Ų85.651%0.51445%0.454SS..THydrogen-bonded Turntrans-134.6102.8178.8-174.40000110.3M104M104-C109 HydrophobicContact CE-CB 4.15Å
110P85.3Confident75.5Confident53 Ų5388 Ų8834%0.34448%0.478SS..THydrogen-bonded Turncis-67.8149.20.930.9-37.6000112.6G108 W154 E164G108-P110 CarbonylContact C-O 3.56Å; G108-P110 CarbonylContact O-C 3.37Å; P110-W154 HydrophobicContact CB-CH2 4.38Å; P110-W154 HydrophobicContact CB-CZ2 3.69Å; P110-E164 HydrophobicContact CB-CG 4.36Å
111P87.6Confident72.5Confident14 Ų1495.1 Ų95.19%0.09151%0.511CS..THydrogen-bonded Turntrans-71.5132.3-177.427.5-32.7000112.2F107 G108 F113 W154F107-P111 HydrophobicContact CB-CB 3.63Å; F107-P111 WeakPolarHBondContact O-CA 3.4Å; G108-P111 WeakPolarHBondContact O-CA 3.32Å; G108-P111 WeakPolarHBondContact O-CB 3.36Å; G108-P111 VanDerWaalsContact O-N 3.09Å; P111-F113 HydrophobicContact CB-CD1 4.44Å; P111-F113 HydrophobicContact CB-CE1 3.8Å; P111-F113 HydrophobicContact CB-CE2 4.15Å; P111-F113 HydrophobicContact CB-CZ 3.63Å; P111-F113 HydrophobicContact CG-CE1 4.14Å; P111-F113 HydrophobicContact CG-CE2 3.77Å; P111-F113 HydrophobicContact CG-CZ 3.43Å; P111-F113 VanDerWaalsContact CG-CZ 3.43Å; P111-W154 VanDerWaalsContact CD-CE3 3.49Å; P111-W154 HydrophobicContact CG-CB 3.68Å; P111-W154 HydrophobicContact CG-CD2 3.46Å; P111-W154 VanDerWaalsContact CG-CD2 3.46Å; P111-W154 HydrophobicContact CG-CE3 3.86Å; P111-W154 HydrophobicContact CG-CG 3.34Å
112K87.6Confident69.3Low179 Ų17993 Ų9378%0.77852%0.519SS*.  trans-97.592.2173-65.8-176.9-178.1178.50110.5F107F107-K112 PolarHBondContact O-N 2.93Å
113F86.5Confident66.2Low52 Ų5298.3 Ų98.323%0.22854%0.54CS..PPolyproline II helixtrans-71.9146.9-178.3-59.3-59.7000112.9E103 F107 P111 I115 Y152 W154E103-F113 HydrophobicContact CB-CE1 4.19Å; E103-F113 HydrophobicContact CB-CZ 4.42Å; E103-F113 HydrophobicContact CG-CE1 4.14Å; E103-F113 HydrophobicContact CG-CZ 4.49Å; F107-F113 HydrophobicContact CB-CD1 4.39Å; F107-F113 HydrophobicContact CB-CE1 4.47Å; F107-F113 HydrophobicContact CD1-CD1 4.47Å; F107-F113 AromaticContact CD2-CD1 3.62Å; F107-F113 HydrophobicContact CD2-CD1 3.62Å; F107-F113 AromaticContact CD2-CE1 3.59Å; F107-F113 HydrophobicContact CD2-CE1 3.59Å; F107-F113 AromaticContact CE2-CD1 3.95Å; F107-F113 HydrophobicContact CE2-CD1 3.95Å; F107-F113 HydrophobicContact CE2-CE1 4.09Å; F107-F113 AromaticContact CG-CD1 3.91Å; F107-F113 HydrophobicContact CG-CD1 3.91Å; F107-F113 HydrophobicContact CG-CE1 4.18Å; P111-F113 HydrophobicContact CB-CD1 4.44Å; P111-F113 HydrophobicContact CB-CE1 3.8Å; P111-F113 HydrophobicContact CB-CE2 4.15Å; P111-F113 HydrophobicContact CB-CZ 3.63Å; P111-F113 HydrophobicContact CG-CE1 4.14Å; P111-F113 HydrophobicContact CG-CE2 3.77Å; P111-F113 HydrophobicContact CG-CZ 3.43Å; P111-F113 VanDerWaalsContact CG-CZ 3.43Å; F113-I115 PolarHBondContact O-N 3.06Å; F113-Y152 HydrophobicContact CB-CD2 4.18Å; F113-Y152 HydrophobicContact CB-CE2 3.73Å; F113-Y152 AromaticContact CD1-CD1 3.56Å; F113-Y152 HydrophobicContact CD1-CD1 3.56Å; F113-Y152 AromaticContact CD1-CD2 3.76Å; F113-Y152 HydrophobicContact CD1-CD2 3.76Å; F113-Y152 AromaticContact CD1-CE1 3.51Å; F113-Y152 HydrophobicContact CD1-CE1 3.51Å; F113-Y152 AromaticContact CD1-CE2 3.73Å; F113-Y152 HydrophobicContact CD1-CE2 3.73Å; F113-Y152 AromaticContact CD1-CG 3.67Å; F113-Y152 HydrophobicContact CD1-CG 3.67Å; F113-Y152 AromaticContact CD1-CZ 3.59Å; F113-Y152 AromaticContact CD2-CD2 3.7Å; F113-Y152 HydrophobicContact CD2-CD2 3.7Å; F113-Y152 HydrophobicContact CD2-CE2 4.16Å; F113-Y152 HydrophobicContact CD2-CG 4.02Å; F113-Y152 AromaticContact CE1-CD1 3.32Å; F113-Y152 HydrophobicContact CE1-CD1 3.32Å; F113-Y152 HydrophobicContact CE1-CD2 4.02Å; F113-Y152 AromaticContact CE1-CE1 3.73Å; F113-Y152 HydrophobicContact CE1-CE1 3.73Å; F113-Y152 HydrophobicContact CE1-CE2 4.39Å; F113-Y152 AromaticContact CE1-CG 3.47Å; F113-Y152 HydrophobicContact CE1-CG 3.47Å; F113-Y152 VanDerWaalsContact CE1-CG 3.47Å; F113-Y152 AromaticContact CE2-CD2 3.97Å; F113-Y152 HydrophobicContact CE2-CD2 3.97Å; F113-Y152 AromaticContact CE2-CG 3.83Å; F113-Y152 HydrophobicContact CE2-CG 3.83Å; F113-Y152 HydrophobicContact CG-CD1 4.27Å; F113-Y152 AromaticContact CG-CD2 3.59Å; F113-Y152 HydrophobicContact CG-CD2 3.59Å; F113-Y152 HydrophobicContact CG-CE1 4.26Å; F113-Y152 AromaticContact CG-CE2 3.59Å; F113-Y152 HydrophobicContact CG-CE2 3.59Å; F113-Y152 AromaticContact CG-CG 3.94Å; F113-Y152 HydrophobicContact CG-CG 3.94Å; F113-Y152 AromaticContact CG-CZ 3.92Å; F113-Y152 VanDerWaalsContact CZ-CB 3.46Å; F113-Y152 AromaticContact CZ-CD1 3.85Å; F113-Y152 HydrophobicContact CZ-CD1 3.85Å; F113-Y152 HydrophobicContact CZ-CD2 4.13Å; F113-Y152 AromaticContact CZ-CG 3.55Å; F113-Y152 HydrophobicContact CZ-CG 3.55Å; F113-W154 HydrophobicContact CE2-CB 4.16Å; F113-W154 HydrophobicContact CZ-CB 3.89Å
114P82.1Confident63.1Low78 Ų78106.2 Ų106.251%0.50658%0.577SS.*PPolyproline II helixtrans-62.9135.4172.725.2-32.8000110.7F107 K116F107-P114 HydrophobicContact CE1-CG 4.31Å; P114-K116 PolarHBondContact O-N 3.39Å
115I66.4Low59.9Low170 Ų170113.5 Ų113.587%0.87261%0.61SS**PPolyproline II helixtrans-61.4118.7174-57.8173000107.7F113 V117F113-I115 PolarHBondContact O-N 3.06Å; I115-V117 PolarHBondContact O-N 2.83Å
116K57.5Low56.9Low112 Ų112113.5 Ų113.549%0.48762%0.615SS.*PPolyproline II helixtrans-67.4121.4-178.2-74.6179.8-178172.20110.4P114P114-K116 PolarHBondContact O-N 3.39Å
117V35.4Very low53.9Low130 Ų130109.9 Ų109.979%0.78861%0.605SS**PPolyproline II helixtrans-76.1116.7147.4-1770000105.7I115 T119I115-V117 PolarHBondContact O-N 2.83Å; V117-T119 PolarHBondContact O-N 3.19Å
118E29.9Very low50.8Low186 Ų186111.4 Ų111.487%0.86962%0.618SS**  trans-56.5112.6178.1-68.6-175.1157.300109.9
119T26.1Very low48.2Very low120 Ų120114.7 Ų114.774%0.73662%0.624SS**  trans-109.4124.1161.7-12.80000107V117 Q121V117-T119 PolarHBondContact O-N 3.19Å; T119-Q121 PolarHBondContact O-N 3Å
120P28.7Very low45.6Very low130 Ų130115 Ų11584%0.84462%0.624SS**  trans-66.6108.6-177.1-7.319.1000109.3G122P120-G122 PolarHBondContact O-N 3.29Å; P120-G122 VanDerWaalsContact O-N 3.17Å
121Q29.1Very low43.3Very low149 Ų149117.8 Ų117.870%0.69664%0.635SS**  trans-79.995.2165.1-75.9-173.2-28.300107.8T119 L123T119-Q121 PolarHBondContact O-N 3Å; Q121-L123 PolarHBondContact O-N 3.29Å
122G26.2Very low40.9Very low61 Ų61122.4 Ų122.463%0.62966%0.658SS**  trans-58.6116.616900000110.2P120 H124P120-G122 PolarHBondContact O-N 3.29Å; P120-G122 VanDerWaalsContact O-N 3.17Å; G122-H124 VanDerWaalsContact C-N 3.32Å; G122-H124 PolarHBondContact O-N 3.21Å
123L26.3Very low38.2Very low164 Ų164119.3 Ų119.386%0.85964%0.644SS**  trans-64.195.5162.7-78.9152.9000107.4Q121 E125Q121-L123 PolarHBondContact O-N 3.29Å; L123-E125 PolarHBondContact O-N 3.14Å; L123-E125 VanDerWaalsContact O-N 3.11Å
124H27.6Very low35.6Very low178 Ų178123.9 Ų123.982%0.82467%0.672SS**  trans-69.5107.1167-79-68.3000108.4G122 V126G122-H124 VanDerWaalsContact C-N 3.32Å; G122-H124 PolarHBondContact O-N 3.21Å; H124-V126 PolarHBondContact O-N 3.46Å; H124-V126 VanDerWaalsContact O-N 3.17Å
125E25.2Very low33.1Very low185 Ų185130.5 Ų130.586%0.86469%0.692SS**  trans-55.9118.9165.4-74.6-168.4146.700108.8L123 S127L123-E125 PolarHBondContact O-N 3.14Å; L123-E125 VanDerWaalsContact O-N 3.11Å; E125-S127 VanDerWaalsContact C-N 3.27Å; E125-S127 PolarHBondContact O-N 3.29Å
126V28.8Very low31.5Very low126 Ų126126.7 Ų126.776%0.76469%0.686SS**  trans-67.293.9169-178.40000107H124 T128H124-V126 PolarHBondContact O-N 3.46Å; H124-V126 VanDerWaalsContact O-N 3.17Å; V126-T128 PolarHBondContact O-N 2.64Å
127S27Very low30.5Very low65 Ų65130.7 Ų130.746%0.45570%0.704SS.*  trans-57.6102.4166.966.10000107.2E125 E129E125-S127 VanDerWaalsContact C-N 3.27Å; E125-S127 PolarHBondContact O-N 3.29Å; S127-E129 PolarHBondContact O-N 3.04Å
128T28.5Very low30.2Very low78 Ų78128.1 Ų128.148%0.47970%0.703SS.*  trans-73.397.8169.74.30000105.9V126 T130 K133V126-T128 PolarHBondContact O-N 2.64Å; T128-T130 PolarHBondContact O-N 3.07Å; T128-K133 PolarHBondContact OG1-NZ 3.45Å
129E34.6Very low30.3Very low102 Ų102128 Ų12848%0.47770%0.7SS.*  trans-54.5137163.3-87.5170.6-142.800108.4S127 I131 K382S127-E129 PolarHBondContact O-N 3.04Å; E129-I131 VanDerWaalsContact C-N 3.34Å; E129-I131 PolarHBondContact O-N 3.45Å; E129-K382 IonicContact OE1-NZ 2.76Å; E129-K382 PolarHBondContact OE1-NZ 3.34Å
130T32.1Very low30.6Very low84 Ų84131.9 Ų131.952%0.51571%0.706SS.*  trans-66.483.6-163.8-26.50000111.1T128 E480T128-T130 PolarHBondContact O-N 3.07Å; T130-E480 WeakPolarHBondContact CB-OE1 3.45Å; T130-E480 WeakPolarHBondContact CG2-OE1 3.28Å; T130-E480 PolarHBondContact OG1-OE1 3.11Å
131I36.4Very low31Very low111 Ų111128.6 Ų128.657%0.56969%0.687SS**  trans-66.9136.6147.4-60.4169.6000105.4E129 K133E129-I131 VanDerWaalsContact C-N 3.34Å; E129-I131 PolarHBondContact O-N 3.45Å; I131-K133 VanDerWaalsContact C-N 3.27Å; I131-K133 PolarHBondContact O-N 2.79Å
132L36.2Very low31.5Very low111 Ų111126.7 Ų126.758%0.58168%0.676SS**  trans-40.692.6168.5-71.5154.3000109.5D134 L484 Y488L132-D134 PolarHBondContact O-N 2.96Å; L132-L484 HydrophobicContact CD2-CD2 4.5Å; L132-Y488 VanDerWaalsContact CD1-OH 3.26Å; L132-Y488 WeakPolarHBondContact CD1-OH 3.34Å
133K32Very low32Very low113 Ų113125.7 Ų125.749%0.49166%0.662SS.*  trans-83.3116.4176.6-84.8179.7-178.4170.60105.5T128 I131 K135T128-K133 PolarHBondContact OG1-NZ 3.45Å; I131-K133 VanDerWaalsContact C-N 3.27Å; I131-K133 PolarHBondContact O-N 2.79Å; K133-K135 PolarHBondContact O-N 2.84Å
134D30.7Very low32.3Very low149 Ų149124.8 Ų124.880%0.79766%0.657SS**  trans-49.5111.2151.8-88.6-35000107.2L132 A136L132-D134 PolarHBondContact O-N 2.96Å; D134-A136 PolarHBondContact O-N 3.4Å
135K30.5Very low32.6Very low216 Ų216120.7 Ų120.794%0.93965%0.654SS**THydrogen-bonded Turntrans-64.413.1-179.4-73.9-175.8175.3178.40113.3K133K133-K135 PolarHBondContact O-N 2.84Å
136A33.7Very low33.3Very low90 Ų90119 Ų11974%0.74464%0.644SS**THydrogen-bonded Turntrans-94.8-3.8-174.900000115.2D134D134-A136 PolarHBondContact O-N 3.4Å
137K35.5Very low33.6Very low197 Ų197117.2 Ų117.286%0.85764%0.637SS**SBendtrans-114.695.9177.2-69.1-172.6179.8-179.20111.6
138G29.8Very low34.4Very low76 Ų76116.7 Ų116.778%0.78464%0.642SS**  trans-60.1134.8178.500000113.2K140G138-K140 PolarHBondContact O-N 3.38Å
139K32.2Very low35.2Very low184 Ų184118.3 Ų118.380%0.866%0.657SS**  trans-67.293.6171.5-70.8178.7176.5-179.60109.9
140K32.1Very low36.5Very low200 Ų200117.5 Ų117.587%0.8765%0.654SS**  trans-120.976.3160.7-75-169.1177.7-177.40108.7G138G138-K140 PolarHBondContact O-N 3.38Å
141S37.2Very low38.6Very low61 Ų61120.1 Ų120.143%0.42765%0.654SS.*  trans-75.2125176.755.30000110.5A143S141-A143 PolarHBondContact O-N 2.76Å
142K39.6Very low41Very low109 Ų109117 Ų11747%0.47464%0.636SS.*G310 helixtrans-54.9-17.7168.7-75.7167.2-178.7150.10113.9L144 A145 E253K142-L144 VanDerWaalsContact C-N 3.29Å; K142-L144 PolarHBondContact O-N 2.92Å; K142-A145 PolarHBondContact O-N 2.71Å; K142-A145 VanDerWaalsContact O-N 3.15Å; K142-E253 IonicContact NZ-OE1 3.31Å; K142-E253 PolarHBondContact NZ-OE1 2.77Å
143A37.1Very low43.6Very low41 Ų41112.8 Ų112.834%0.33961%0.613SS.*G310 helixtrans-58.2-34.1-178.300000114S141 A145S141-A143 PolarHBondContact O-N 2.76Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-A145 PolarHBondContact O-N 3.08Å
144L31.6Very low46.4Very low144 Ų144107.6 Ų107.675%0.75459%0.59SS**G310 helixtrans-74.1-22.5179.4-118.988.7000113.4K142 S147K142-L144 VanDerWaalsContact C-N 3.29Å; K142-L144 PolarHBondContact O-N 2.92Å; L144-S147 PolarHBondContact O-OG 2.83Å
145A33.6Very low49.2Very low92 Ų92101.5 Ų101.576%0.7656%0.561SS**G310 helixtrans-88.1-13.1-178.700000113.2K142 A143K142-A145 PolarHBondContact O-N 2.71Å; K142-A145 VanDerWaalsContact O-N 3.15Å; A143-A145 VanDerWaalsContact C-N 3.33Å; A143-A145 PolarHBondContact O-N 3.08Å
146K40.3Very low52.1Low149 Ų14993.9 Ų93.965%0.64853%0.53SS*.SBendtrans-100.37.3179.7-73-170.8176.4-176.80114G148K146-G148 PolarHBondContact O-N 3.44Å
147S35.8Very low54.9Low90 Ų9089.6 Ų89.663%0.62949%0.494SS*.  trans-8037.9174.167.90000113.1L144L144-S147 PolarHBondContact O-OG 2.83Å
148G42.6Very low57.6Low54 Ų5484.2 Ų84.256%0.55747%0.472SS*.  trans-62.7141.8172.500000110.2K146 M150K146-G148 PolarHBondContact O-N 3.44Å; G148-M150 PolarHBondContact O-N 3.05Å
149S46.5Very low60.4Low111 Ų11184 Ų8478%0.77646%0.458SS*.SBendtrans-54.3-20-179.255.70000114.1
150M61.1Low63.1Low85 Ų8577.9 Ų77.942%0.41943%0.434SS..  trans-84114.2178.5-61.2-174.9-160.300111.5G148 A155 I156G148-M150 PolarHBondContact O-N 3.05Å; M150-A155 HydrophobicContact CB-CB 4.37Å; M150-A155 HydrophobicContact CG-CB 4.45Å; M150-A155 HydrophobicContact SD-CB 4.13Å; M150-A155 VanDerWaalsContact SD-O 3.35Å; M150-I156 HydrophobicContact CB-CG1 4.08Å
151R75.7Confident65.9Low139 Ų13971.6 Ų71.653%0.52543%0.426SS..  trans-84.2-30.7-178-169.3175-178.4164.7-0.9112.8K99K99-R151 PolarHBondContact NZ-O 3.12Å
152Y87.2Confident68.5Low47 Ų4769.5 Ų69.518%0.18441%0.41CS..SBendtrans-95.7144.3-173.7-62-71.9000111.7E103 F107 F113 I156E103-Y152 HydrophobicContact CG-CD1 4.19Å; E103-Y152 VanDerWaalsContact OE1-CA 3.28Å; E103-Y152 WeakPolarHBondContact OE1-CA 3.19Å; F107-Y152 HydrophobicContact CE2-CE1 4.23Å; F113-Y152 HydrophobicContact CB-CD2 4.18Å; F113-Y152 HydrophobicContact CB-CE2 3.73Å; F113-Y152 AromaticContact CD1-CD1 3.56Å; F113-Y152 HydrophobicContact CD1-CD1 3.56Å; F113-Y152 AromaticContact CD1-CD2 3.76Å; F113-Y152 HydrophobicContact CD1-CD2 3.76Å; F113-Y152 AromaticContact CD1-CE1 3.51Å; F113-Y152 HydrophobicContact CD1-CE1 3.51Å; F113-Y152 AromaticContact CD1-CE2 3.73Å; F113-Y152 HydrophobicContact CD1-CE2 3.73Å; F113-Y152 AromaticContact CD1-CG 3.67Å; F113-Y152 HydrophobicContact CD1-CG 3.67Å; F113-Y152 AromaticContact CD1-CZ 3.59Å; F113-Y152 AromaticContact CD2-CD2 3.7Å; F113-Y152 HydrophobicContact CD2-CD2 3.7Å; F113-Y152 HydrophobicContact CD2-CE2 4.16Å; F113-Y152 HydrophobicContact CD2-CG 4.02Å; F113-Y152 AromaticContact CE1-CD1 3.32Å; F113-Y152 HydrophobicContact CE1-CD1 3.32Å; F113-Y152 HydrophobicContact CE1-CD2 4.02Å; F113-Y152 AromaticContact CE1-CE1 3.73Å; F113-Y152 HydrophobicContact CE1-CE1 3.73Å; F113-Y152 HydrophobicContact CE1-CE2 4.39Å; F113-Y152 AromaticContact CE1-CG 3.47Å; F113-Y152 HydrophobicContact CE1-CG 3.47Å; F113-Y152 VanDerWaalsContact CE1-CG 3.47Å; F113-Y152 AromaticContact CE2-CD2 3.97Å; F113-Y152 HydrophobicContact CE2-CD2 3.97Å; F113-Y152 AromaticContact CE2-CG 3.83Å; F113-Y152 HydrophobicContact CE2-CG 3.83Å; F113-Y152 HydrophobicContact CG-CD1 4.27Å; F113-Y152 AromaticContact CG-CD2 3.59Å; F113-Y152 HydrophobicContact CG-CD2 3.59Å; F113-Y152 HydrophobicContact CG-CE1 4.26Å; F113-Y152 AromaticContact CG-CE2 3.59Å; F113-Y152 HydrophobicContact CG-CE2 3.59Å; F113-Y152 AromaticContact CG-CG 3.94Å; F113-Y152 HydrophobicContact CG-CG 3.94Å; F113-Y152 AromaticContact CG-CZ 3.92Å; F113-Y152 VanDerWaalsContact CZ-CB 3.46Å; F113-Y152 AromaticContact CZ-CD1 3.85Å; F113-Y152 HydrophobicContact CZ-CD1 3.85Å; F113-Y152 HydrophobicContact CZ-CD2 4.13Å; F113-Y152 AromaticContact CZ-CG 3.55Å; F113-Y152 HydrophobicContact CZ-CG 3.55Å; Y152-I156 WeakPolarHBondContact O-CG1 3.43Å; Y152-I156 PolarHBondContact O-N 2.95Å
153Q90.2Very high70.9Confident22 Ų2267 Ų6710%0.10341%0.406CS..Hα-helixtrans-68.1-38.9179.5-170.460.534.500111.4K99 L100 E103 A155 I156 M157K99-Q153 HydrophobicContact CB-CB 4.39Å; K99-Q153 HydrophobicContact CD-CB 3.88Å; K99-Q153 HydrophobicContact CG-CB 3.91Å; L100-Q153 HydrophobicContact CB-CG 4.19Å; L100-Q153 HydrophobicContact CD1-CB 4.23Å; L100-Q153 HydrophobicContact CD1-CG 4.1Å; E103-Q153 VanDerWaalsContact CD-N 3.27Å; E103-Q153 PolarHBondContact OE1-N 2.99Å; E103-Q153 WeakPolarHBondContact OE2-CA 3.48Å; E103-Q153 WeakPolarHBondContact OE2-CB 3.32Å; E103-Q153 PolarHBondContact OE2-N 2.78Å; Q153-A155 PolarHBondContact O-N 3.1Å; Q153-I156 WeakPolarHBondContact O-CB 3.39Å; Q153-I156 PolarHBondContact O-N 3.06Å; Q153-I156 VanDerWaalsContact O-N 3.12Å; Q153-M157 WeakPolarHBondContact O-CG 3.5Å; Q153-M157 PolarHBondContact O-N 3.23Å
154W91.9Very high73.2Confident3 Ų370 Ų701%0.01141%0.413CS..Hα-helixtrans-54.9-50175.7-174.1-81.7000112L100 E103 M104 P110 P111 F113 I156 M157 E158 E164 I167L100-W154 HydrophobicContact CD1-CB 4.05Å; L100-W154 HydrophobicContact CD1-CE3 3.95Å; E103-W154 PolarHBondContact OE2-N 2.91Å; M104-W154 HydrophobicContact CG-CE3 4.1Å; M104-W154 HydrophobicContact CG-CZ3 3.94Å; M104-W154 HydrophobicContact SD-CE3 4.48Å; M104-W154 HydrophobicContact SD-CZ3 4Å; P110-W154 HydrophobicContact CB-CH2 4.38Å; P110-W154 HydrophobicContact CB-CZ2 3.69Å; P111-W154 VanDerWaalsContact CD-CE3 3.49Å; P111-W154 HydrophobicContact CG-CB 3.68Å; P111-W154 HydrophobicContact CG-CD2 3.46Å; P111-W154 VanDerWaalsContact CG-CD2 3.46Å; P111-W154 HydrophobicContact CG-CE3 3.86Å; P111-W154 HydrophobicContact CG-CG 3.34Å; F113-W154 HydrophobicContact CE2-CB 4.16Å; F113-W154 HydrophobicContact CZ-CB 3.89Å; W154-I156 VanDerWaalsContact C-N 3.26Å; W154-I156 PolarHBondContact O-N 2.91Å; W154-M157 WeakPolarHBondContact O-CA 3.31Å; W154-M157 WeakPolarHBondContact O-CB 3.44Å; W154-M157 PolarHBondContact O-N 3.07Å; W154-E158 VanDerWaalsContact NE1-CD 3.26Å; W154-E158 PolarHBondContact NE1-OE1 3.45Å; W154-E158 PolarHBondContact O-N 3.26Å; W154-E164 WeakPolarHBondContact CH2-O 3.39Å; W154-E164 HydrophobicContact CZ2-CB 4.09Å; W154-E164 HydrophobicContact CZ2-CG 4.3Å; W154-I167 HydrophobicContact CD2-CD1 4.33Å; W154-I167 HydrophobicContact CD2-CG2 3.81Å; W154-I167 HydrophobicContact CE3-CB 4.26Å; W154-I167 HydrophobicContact CE3-CG2 3.41Å; W154-I167 VanDerWaalsContact CE3-CG2 3.41Å; W154-I167 HydrophobicContact CH2-CB 3.88Å; W154-I167 HydrophobicContact CH2-CG2 3.95Å; W154-I167 HydrophobicContact CZ2-CB 4.16Å; W154-I167 HydrophobicContact CZ2-CD1 4.06Å; W154-I167 HydrophobicContact CZ2-CG2 4.3Å; W154-I167 HydrophobicContact CZ3-CB 3.94Å; W154-I167 HydrophobicContact CZ3-CG2 3.49Å; W154-I167 VanDerWaalsContact CZ3-CG2 3.49Å
155A90.2Very high75.9Confident22 Ų2271.3 Ų71.318%0.18242%0.415CS..Hα-helixtrans-61-34178.100000112.7M150 Q153 E158 S159M150-A155 HydrophobicContact CB-CB 4.37Å; M150-A155 HydrophobicContact CG-CB 4.45Å; M150-A155 HydrophobicContact SD-CB 4.13Å; M150-A155 VanDerWaalsContact SD-O 3.35Å; Q153-A155 PolarHBondContact O-N 3.1Å; A155-E158 PolarHBondContact O-N 2.89Å; A155-S159 WeakPolarHBondContact O-CB 3.11Å; A155-S159 PolarHBondContact O-N 3.29Å
156I90.3Very high78.7Confident55 Ų5571 Ų7128%0.28240%0.401SS..Hα-helixtrans-65.2-43.1173.6-65167.2000110.1M150 Y152 Q153 W154 S159 L160M150-I156 HydrophobicContact CB-CG1 4.08Å; Y152-I156 WeakPolarHBondContact O-CG1 3.43Å; Y152-I156 PolarHBondContact O-N 2.95Å; Q153-I156 WeakPolarHBondContact O-CB 3.39Å; Q153-I156 PolarHBondContact O-N 3.06Å; Q153-I156 VanDerWaalsContact O-N 3.12Å; W154-I156 VanDerWaalsContact C-N 3.26Å; W154-I156 PolarHBondContact O-N 2.91Å; I156-S159 PolarHBondContact O-N 3.31Å; I156-S159 PolarHBondContact O-OG 3.09Å; I156-L160 WeakPolarHBondContact O-CG 3.48Å; I156-L160 PolarHBondContact O-N 3.04Å
157M92.6Very high81.2Confident1 Ų163.9 Ų63.91%0.00537%0.37CS..Hα-helixtrans-63.9-42.5177.4-61.3-64.2-68.600111.6L100 Q153 W154 S159 L160 F162 I167 F170 W176L100-M157 HydrophobicContact CD1-CG 4.4Å; Q153-M157 WeakPolarHBondContact O-CG 3.5Å; Q153-M157 PolarHBondContact O-N 3.23Å; W154-M157 WeakPolarHBondContact O-CA 3.31Å; W154-M157 WeakPolarHBondContact O-CB 3.44Å; W154-M157 PolarHBondContact O-N 3.07Å; M157-S159 VanDerWaalsContact C-N 3.29Å; M157-S159 PolarHBondContact O-N 3.31Å; M157-L160 WeakPolarHBondContact O-CB 2.98Å; M157-L160 PolarHBondContact O-N 3.12Å; M157-L160 HydrophobicContact SD-CD1 4.34Å; M157-F162 HydrophobicContact CB-CD2 4.46Å; M157-F162 HydrophobicContact CE-CD2 3.84Å; M157-F162 HydrophobicContact CE-CE2 3.78Å; M157-F162 HydrophobicContact CE-CG 4.35Å; M157-F162 HydrophobicContact CE-CZ 4.23Å; M157-F162 WeakPolarHBondContact O-CD2 3.28Å; M157-F162 PolarHBondContact O-N 2.92Å; M157-I167 HydrophobicContact CB-CD1 3.89Å; M157-I167 HydrophobicContact CB-CG1 3.82Å; M157-I167 HydrophobicContact CB-CG2 3.96Å; M157-I167 HydrophobicContact CG-CG2 4.19Å; M157-F170 HydrophobicContact CE-CB 4.03Å; M157-F170 HydrophobicContact CE-CD1 3.77Å; M157-F170 HydrophobicContact CE-CD2 3.46Å; M157-F170 VanDerWaalsContact CE-CD2 3.46Å; M157-F170 HydrophobicContact CE-CE1 4.04Å; M157-F170 HydrophobicContact CE-CE2 3.74Å; M157-F170 HydrophobicContact CE-CG 3.47Å; M157-F170 VanDerWaalsContact CE-CG 3.47Å; M157-F170 HydrophobicContact CE-CZ 4.02Å; M157-W176 HydrophobicContact SD-CH2 3.86Å; M157-W176 HydrophobicContact SD-CZ2 4.35Å
158E91.1Very high84Confident83 Ų8360.8 Ų60.839%0.38835%0.349SS..Hα-helixtrans-58.7-41.6173.2-68.4175.4148.100111.7W154 A155 L160 G161 I167W154-E158 VanDerWaalsContact NE1-CD 3.26Å; W154-E158 PolarHBondContact NE1-OE1 3.45Å; W154-E158 PolarHBondContact O-N 3.26Å; A155-E158 PolarHBondContact O-N 2.89Å; E158-L160 PolarHBondContact O-N 3.38Å; E158-G161 WeakPolarHBondContact O-CA 3.39Å; E158-G161 PolarHBondContact O-N 3.41Å; E158-I167 HydrophobicContact CG-CD1 3.55Å
159S89Confident86.5Confident71 Ų7160.8 Ų60.850%0.49734%0.34SS..Hα-helixtrans-64.8-21.5177.481.60000114A155 I156 M157 G161A155-S159 WeakPolarHBondContact O-CB 3.11Å; A155-S159 PolarHBondContact O-N 3.29Å; I156-S159 PolarHBondContact O-N 3.31Å; I156-S159 PolarHBondContact O-OG 3.09Å; M157-S159 VanDerWaalsContact C-N 3.29Å; M157-S159 PolarHBondContact O-N 3.31Å; S159-G161 VanDerWaalsContact C-N 3.26Å
160L89.4Confident88.8Confident56 Ų5655.6 Ų55.629%0.29330%0.303SS..THydrogen-bonded Turntrans-83.6-1.6173.3-64.6173.2000112.5Y54 I156 M157 E158 F162Y54-L160 HydrophobicContact CD2-CB 4.42Å; Y54-L160 HydrophobicContact CD2-CD2 3.75Å; Y54-L160 HydrophobicContact CE2-CB 3.93Å; Y54-L160 HydrophobicContact CE2-CD2 4.13Å; I156-L160 WeakPolarHBondContact O-CG 3.48Å; I156-L160 PolarHBondContact O-N 3.04Å; M157-L160 WeakPolarHBondContact O-CB 2.98Å; M157-L160 PolarHBondContact O-N 3.12Å; M157-L160 HydrophobicContact SD-CD1 4.34Å; E158-L160 PolarHBondContact O-N 3.38Å; L160-F162 HydrophobicContact CB-CD2 3.81Å; L160-F162 HydrophobicContact CB-CE2 3.8Å; L160-F162 HydrophobicContact CD1-CE2 4.24Å
161G89.8Confident90.4Very high68 Ų6853.2 Ų53.270%0.70130%0.295SS*.THydrogen-bonded Turntrans90.213.9175.700000115E158 S159E158-G161 WeakPolarHBondContact O-CA 3.39Å; E158-G161 PolarHBondContact O-N 3.41Å; S159-G161 VanDerWaalsContact C-N 3.26Å
162F92.5Very high91.3Very high18 Ų1850.4 Ų50.48%0.07929%0.29CS..  trans-75.7139173.7-67.1-84.7000110.8M157 L160 D166 I167 F170 F179 F180M157-F162 HydrophobicContact CB-CD2 4.46Å; M157-F162 HydrophobicContact CE-CD2 3.84Å; M157-F162 HydrophobicContact CE-CE2 3.78Å; M157-F162 HydrophobicContact CE-CG 4.35Å; M157-F162 HydrophobicContact CE-CZ 4.23Å; M157-F162 WeakPolarHBondContact O-CD2 3.28Å; M157-F162 PolarHBondContact O-N 2.92Å; L160-F162 HydrophobicContact CB-CD2 3.81Å; L160-F162 HydrophobicContact CB-CE2 3.8Å; L160-F162 HydrophobicContact CD1-CE2 4.24Å; F162-D166 HydrophobicContact CB-CB 4.38Å; F162-D166 HydrophobicContact CD1-CB 4.15Å; F162-I167 HydrophobicContact CB-CD1 4.22Å; F162-I167 HydrophobicContact CB-CG1 3.59Å; F162-F170 AromaticContact CD1-CE2 3.88Å; F162-F170 HydrophobicContact CD1-CE2 3.88Å; F162-F170 HydrophobicContact CD1-CZ 4.35Å; F162-F170 AromaticContact CE1-CE2 3.56Å; F162-F170 HydrophobicContact CE1-CE2 3.56Å; F162-F170 AromaticContact CE1-CZ 3.57Å; F162-F170 HydrophobicContact CE1-CZ 3.57Å; F162-F170 HydrophobicContact CZ-CE2 4.06Å; F162-F170 AromaticContact CZ-CZ 3.74Å; F162-F170 HydrophobicContact CZ-CZ 3.74Å; F162-F179 HydrophobicContact CE1-CD1 4.24Å; F162-F179 AromaticContact CE1-CE1 3.59Å; F162-F179 HydrophobicContact CE1-CE1 3.59Å; F162-F179 AromaticContact CE1-CE2 3.89Å; F162-F179 HydrophobicContact CE1-CE2 3.89Å; F162-F179 AromaticContact CE1-CZ 3.37Å; F162-F179 HydrophobicContact CE1-CZ 3.37Å; F162-F179 HydrophobicContact CZ-CD1 4.03Å; F162-F179 AromaticContact CZ-CE1 3.34Å; F162-F179 HydrophobicContact CZ-CE1 3.34Å; F162-F179 HydrophobicContact CZ-CE2 4.5Å; F162-F179 AromaticContact CZ-CZ 3.62Å; F162-F179 HydrophobicContact CZ-CZ 3.62Å; F162-F180 HydrophobicContact CE2-CZ 4.35Å; F162-F180 HydrophobicContact CZ-CE1 4.42Å; F162-F180 HydrophobicContact CZ-CZ 4.15Å
163S90.3Very high91.6Very high55 Ų5549 Ų4939%0.38529%0.288SS..  trans-74.3158.217178.50000110.5Q165 D166 I167S163-Q165 PolarHBondContact O-N 2.93Å; S163-Q165 VanDerWaalsContact O-N 3.07Å; S163-D166 WeakPolarHBondContact CB-OD2 3.44Å; S163-D166 PolarHBondContact N-OD2 3.43Å; S163-D166 PolarHBondContact O-N 3.1Å; S163-D166 PolarHBondContact OG-N 3.14Å; S163-D166 PolarHBondContact OG-OD2 2.87Å; S163-I167 WeakPolarHBondContact O-CG1 3.43Å; S163-I167 PolarHBondContact O-N 2.99Å
164E86.4Confident91.8Very high106 Ų10651.4 Ų51.450%0.49530%0.302SS..Hα-helixtrans-52.3-35178.8-63.8179.7179.800112.9P110 W154P110-E164 HydrophobicContact CB-CG 4.36Å; W154-E164 WeakPolarHBondContact CH2-O 3.39Å; W154-E164 HydrophobicContact CZ2-CB 4.09Å; W154-E164 HydrophobicContact CZ2-CG 4.3Å
165Q87.2Confident92Very high171 Ų17154.1 Ų54.180%0.79931%0.314SS*.Hα-helixtrans-72.5-31.9179.3-62.7178.610.100112.4S163S163-Q165 PolarHBondContact O-N 2.93Å; S163-Q165 VanDerWaalsContact O-N 3.07Å
166D92.2Very high92.3Very high85 Ų8553.1 Ų53.146%0.45531%0.306SS..Hα-helixtrans-81-18.6-179.5-58.6-44.5000112.7F162 S163 P169 F170F162-D166 HydrophobicContact CB-CB 4.38Å; F162-D166 HydrophobicContact CD1-CB 4.15Å; S163-D166 WeakPolarHBondContact CB-OD2 3.44Å; S163-D166 PolarHBondContact N-OD2 3.43Å; S163-D166 PolarHBondContact O-N 3.1Å; S163-D166 PolarHBondContact OG-N 3.14Å; S163-D166 PolarHBondContact OG-OD2 2.87Å; D166-P169 WeakPolarHBondContact O-CD 3.37Å; D166-F170 VanDerWaalsContact O-CD2 3.25Å; D166-F170 WeakPolarHBondContact O-CD2 3.44Å; D166-F170 WeakPolarHBondContact O-CE2 3.39Å
167I93.8Very high92.5Very high0 Ų051.3 Ų51.30%030%0.296CS..Hα-helixtrans-77.5-42.2-176.5-64.9170.1000111.6L100 W154 M157 E158 F162 S163 P169 F170L100-I167 HydrophobicContact CD1-CG2 3.82Å; L100-I167 HydrophobicContact CD2-CG2 3.86Å; L100-I167 WeakPolarHBondContact CD2-O 3.47Å; L100-I167 HydrophobicContact CG-CG2 4.37Å; W154-I167 HydrophobicContact CD2-CD1 4.33Å; W154-I167 HydrophobicContact CD2-CG2 3.81Å; W154-I167 HydrophobicContact CE3-CB 4.26Å; W154-I167 HydrophobicContact CE3-CG2 3.41Å; W154-I167 VanDerWaalsContact CE3-CG2 3.41Å; W154-I167 HydrophobicContact CH2-CB 3.88Å; W154-I167 HydrophobicContact CH2-CG2 3.95Å; W154-I167 HydrophobicContact CZ2-CB 4.16Å; W154-I167 HydrophobicContact CZ2-CD1 4.06Å; W154-I167 HydrophobicContact CZ2-CG2 4.3Å; W154-I167 HydrophobicContact CZ3-CB 3.94Å; W154-I167 HydrophobicContact CZ3-CG2 3.49Å; W154-I167 VanDerWaalsContact CZ3-CG2 3.49Å; M157-I167 HydrophobicContact CB-CD1 3.89Å; M157-I167 HydrophobicContact CB-CG1 3.82Å; M157-I167 HydrophobicContact CB-CG2 3.96Å; M157-I167 HydrophobicContact CG-CG2 4.19Å; E158-I167 HydrophobicContact CG-CD1 3.55Å; F162-I167 HydrophobicContact CB-CD1 4.22Å; F162-I167 HydrophobicContact CB-CG1 3.59Å; S163-I167 WeakPolarHBondContact O-CG1 3.43Å; S163-I167 PolarHBondContact O-N 2.99Å; I167-P169 VanDerWaalsContact C-CD 3.47Å; I167-F170 WeakPolarHBondContact O-CB 3.45Å; I167-F170 PolarHBondContact O-N 3.03Å
168A93.1Very high92.6Very high24 Ų2455.1 Ų55.120%0.19832%0.317CS..G310 helixtrans-54.1-40.1-17400000114.8M104 F170 S171M104-A168 HydrophobicContact CE-CB 3.91Å; M104-A168 HydrophobicContact SD-CB 4.37Å; A168-F170 PolarHBondContact O-N 3.44Å; A168-S171 WeakPolarHBondContact O-CB 3.46Å; A168-S171 PolarHBondContact O-N 2.97Å; A168-S171 PolarHBondContact O-OG 2.59Å
169P95.3Very high92.8Very high55 Ų5553.9 Ų53.936%0.35731%0.311SS..G310 helixtrans-57.6-26.2173.9-28.537.6000115.1D166 I167 S171 D172 H175D166-P169 WeakPolarHBondContact O-CD 3.37Å; I167-P169 VanDerWaalsContact C-CD 3.47Å; P169-S171 PolarHBondContact O-N 2.79Å; P169-S171 VanDerWaalsContact O-N 3.11Å; P169-D172 PolarHBondContact O-N 2.74Å; P169-D172 VanDerWaalsContact O-N 3.11Å; P169-H175 HydrophobicContact CB-CB 4.47Å; P169-H175 VanDerWaalsContact O-CB 3.28Å; P169-H175 WeakPolarHBondContact O-CB 3.25Å
170F95.4Very high93.2Very high1 Ų150.5 Ų50.50%0.00429%0.287CS..G310 helixtrans-70.90.3175.9-70.8-87.3000113.6A97 L100 M157 F162 D166 I167 A168 D172 H175 W176 F179 F180A97-F170 WeakPolarHBondContact CA-O 3.4Å; A97-F170 WeakPolarHBondContact CB-O 3.48Å; L100-F170 HydrophobicContact CD2-CB 3.66Å; M157-F170 HydrophobicContact CE-CB 4.03Å; M157-F170 HydrophobicContact CE-CD1 3.77Å; M157-F170 HydrophobicContact CE-CD2 3.46Å; M157-F170 VanDerWaalsContact CE-CD2 3.46Å; M157-F170 HydrophobicContact CE-CE1 4.04Å; M157-F170 HydrophobicContact CE-CE2 3.74Å; M157-F170 HydrophobicContact CE-CG 3.47Å; M157-F170 VanDerWaalsContact CE-CG 3.47Å; M157-F170 HydrophobicContact CE-CZ 4.02Å; F162-F170 AromaticContact CD1-CE2 3.88Å; F162-F170 HydrophobicContact CD1-CE2 3.88Å; F162-F170 HydrophobicContact CD1-CZ 4.35Å; F162-F170 AromaticContact CE1-CE2 3.56Å; F162-F170 HydrophobicContact CE1-CE2 3.56Å; F162-F170 AromaticContact CE1-CZ 3.57Å; F162-F170 HydrophobicContact CE1-CZ 3.57Å; F162-F170 HydrophobicContact CZ-CE2 4.06Å; F162-F170 AromaticContact CZ-CZ 3.74Å; F162-F170 HydrophobicContact CZ-CZ 3.74Å; D166-F170 VanDerWaalsContact O-CD2 3.25Å; D166-F170 WeakPolarHBondContact O-CD2 3.44Å; D166-F170 WeakPolarHBondContact O-CE2 3.39Å; I167-F170 WeakPolarHBondContact O-CB 3.45Å; I167-F170 PolarHBondContact O-N 3.03Å; A168-F170 PolarHBondContact O-N 3.44Å; F170-D172 PolarHBondContact O-N 3.11Å; F170-H175 AromaticContact CD1-CD2 3.8Å; F170-H175 AromaticContact CD2-CD2 3.67Å; F170-H175 AromaticContact CE1-CD2 3.77Å; F170-H175 AromaticContact CE2-CD2 3.64Å; F170-H175 AromaticContact CE2-NE2 3.7Å; F170-H175 AromaticContact CG-CD2 3.76Å; F170-H175 AromaticContact CZ-CD2 3.69Å; F170-H175 AromaticContact CZ-NE2 3.87Å; F170-W176 HydrophobicContact CB-CZ2 4.09Å; F170-W176 AromaticContact CD1-CD1 3.75Å; F170-W176 AromaticContact CD1-CD2 3.73Å; F170-W176 HydrophobicContact CD1-CD2 3.73Å; F170-W176 AromaticContact CD1-CE2 3.63Å; F170-W176 HydrophobicContact CD1-CE3 4.36Å; F170-W176 AromaticContact CD1-CG 3.79Å; F170-W176 HydrophobicContact CD1-CG 3.79Å; F170-W176 HydrophobicContact CD1-CZ2 4.17Å; F170-W176 AromaticContact CD1-NE1 3.66Å; F170-W176 HydrophobicContact CE1-CD2 4.39Å; F170-W176 HydrophobicContact CE1-CG 4.39Å; F170-W176 PolarHBondContact O-NE1 2.98Å; F170-F179 HydrophobicContact CE1-CB 4.1Å; F170-F179 HydrophobicContact CE1-CD1 4.23Å; F170-F179 HydrophobicContact CE1-CG 4.26Å; F170-F179 HydrophobicContact CZ-CB 4Å; F170-F179 AromaticContact CZ-CD1 3.82Å; F170-F179 HydrophobicContact CZ-CD1 3.82Å; F170-F179 HydrophobicContact CZ-CD2 4.27Å; F170-F179 HydrophobicContact CZ-CE1 4.41Å; F170-F179 AromaticContact CZ-CG 3.76Å; F170-F179 HydrophobicContact CZ-CG 3.76Å; F170-F180 HydrophobicContact CD1-CE2 4.1Å; F170-F180 HydrophobicContact CE1-CD2 4.1Å; F170-F180 AromaticContact CE1-CE2 3.46Å; F170-F180 HydrophobicContact CE1-CE2 3.46Å; F170-F180 VanDerWaalsContact CE1-CE2 3.46Å; F170-F180 HydrophobicContact CE1-CZ 4.12Å; F170-F180 HydrophobicContact CZ-CE2 4.29Å
171S93.8Very high93.6Very high36 Ų3648.3 Ų48.325%0.25228%0.276SS..G310 helixtrans-68.7-18.9166.259.60000112.3A168 P169A168-S171 WeakPolarHBondContact O-CB 3.46Å; A168-S171 PolarHBondContact O-N 2.97Å; A168-S171 PolarHBondContact O-OG 2.59Å; P169-S171 PolarHBondContact O-N 2.79Å; P169-S171 VanDerWaalsContact O-N 3.11Å
172D94.5Very high93.8Very high80 Ų8048.3 Ų48.343%0.42827%0.265SS..SBendtrans-97.9125.3167.9-1760.6000110.6P169 F170 N174 H175 W176P169-D172 PolarHBondContact O-N 2.74Å; P169-D172 VanDerWaalsContact O-N 3.11Å; F170-D172 PolarHBondContact O-N 3.11Å; D172-N174 PolarHBondContact O-N 3.3Å; D172-N174 PolarHBondContact OD1-N 3.44Å; D172-N174 PolarHBondContact OD1-ND2 3.24Å; D172-N174 VanDerWaalsContact OD1-ND2 3.16Å; D172-N174 PolarHBondContact OD2-ND2 3.26Å; D172-H175 WeakPolarHBondContact O-CB 3.35Å; D172-H175 PolarHBondContact O-N 2.95Å; D172-H175 VanDerWaalsContact O-N 3.11Å; D172-W176 VanDerWaalsContact O-CD1 3.27Å
173A94.4Very high94Very high16 Ų1648.5 Ų48.513%0.13227%0.268CS..Hα-helixtrans-58-28.7175.800000113I93 K94 A97 H175 W176 I177I93-A173 HydrophobicContact CG2-CB 4.05Å; K94-A173 HydrophobicContact CD-CB 4.21Å; A97-A173 HydrophobicContact CB-CB 4.18Å; A173-H175 VanDerWaalsContact C-N 3.29Å; A173-H175 PolarHBondContact O-N 3.38Å; A173-W176 WeakPolarHBondContact O-CB 3.5Å; A173-W176 PolarHBondContact O-N 2.84Å; A173-I177 PolarHBondContact O-N 2.96Å
174N94.4Very high94.3Very high73 Ų7346 Ų4639%0.3925%0.25SC..Hα-helixtrans-62.9-36.9177-68.8-54.9000112.3D172 W176 I177 D178 R206D172-N174 PolarHBondContact O-N 3.3Å; D172-N174 PolarHBondContact OD1-N 3.44Å; D172-N174 PolarHBondContact OD1-ND2 3.24Å; D172-N174 VanDerWaalsContact OD1-ND2 3.16Å; D172-N174 PolarHBondContact OD2-ND2 3.26Å; N174-W176 PolarHBondContact O-N 2.84Å; N174-I177 WeakPolarHBondContact O-CA 3.46Å; N174-I177 WeakPolarHBondContact O-CB 3.37Å; N174-I177 PolarHBondContact O-N 2.68Å; N174-D178 PolarHBondContact O-N 2.82Å; N174-R206 PolarHBondContact O-NH1 2.8Å
175H96Very high94.8Very high61 Ų6143 Ų4328%0.28224%0.237SC..Hα-helixtrans-63.1-33.7179.6-168.269.4000112P169 F170 D172 A173 I177 D178 F179P169-H175 HydrophobicContact CB-CB 4.47Å; P169-H175 VanDerWaalsContact O-CB 3.28Å; P169-H175 WeakPolarHBondContact O-CB 3.25Å; F170-H175 AromaticContact CD1-CD2 3.8Å; F170-H175 AromaticContact CD2-CD2 3.67Å; F170-H175 AromaticContact CE1-CD2 3.77Å; F170-H175 AromaticContact CE2-CD2 3.64Å; F170-H175 AromaticContact CE2-NE2 3.7Å; F170-H175 AromaticContact CG-CD2 3.76Å; F170-H175 AromaticContact CZ-CD2 3.69Å; F170-H175 AromaticContact CZ-NE2 3.87Å; D172-H175 WeakPolarHBondContact O-CB 3.35Å; D172-H175 PolarHBondContact O-N 2.95Å; D172-H175 VanDerWaalsContact O-N 3.11Å; A173-H175 VanDerWaalsContact C-N 3.29Å; A173-H175 PolarHBondContact O-N 3.38Å; H175-I177 VanDerWaalsContact C-N 3.32Å; H175-I177 PolarHBondContact O-N 2.7Å; H175-D178 PolarHBondContact O-N 2.93Å; H175-F179 WeakPolarHBondContact O-CB 3.14Å; H175-F179 PolarHBondContact O-N 2.91Å
176W96Very high95.3Very high1 Ų141.6 Ų41.60%0.00423%0.228CC..Hα-helixtrans-62.5-41.1173-62.967.8000111.8N52 I93 M157 F170 D172 A173 N174 D178 F179 F180 P181N52-W176 HydrophobicContact CB-CZ3 4.49Å; N52-W176 WeakPolarHBondContact O-CZ3 3.47Å; I93-W176 HydrophobicContact CG2-CB 3.56Å; I93-W176 HydrophobicContact CG2-CD2 4.17Å; I93-W176 HydrophobicContact CG2-CG 3.68Å; M157-W176 HydrophobicContact SD-CH2 3.86Å; M157-W176 HydrophobicContact SD-CZ2 4.35Å; F170-W176 HydrophobicContact CB-CZ2 4.09Å; F170-W176 AromaticContact CD1-CD1 3.75Å; F170-W176 AromaticContact CD1-CD2 3.73Å; F170-W176 HydrophobicContact CD1-CD2 3.73Å; F170-W176 AromaticContact CD1-CE2 3.63Å; F170-W176 HydrophobicContact CD1-CE3 4.36Å; F170-W176 AromaticContact CD1-CG 3.79Å; F170-W176 HydrophobicContact CD1-CG 3.79Å; F170-W176 HydrophobicContact CD1-CZ2 4.17Å; F170-W176 AromaticContact CD1-NE1 3.66Å; F170-W176 HydrophobicContact CE1-CD2 4.39Å; F170-W176 HydrophobicContact CE1-CG 4.39Å; F170-W176 PolarHBondContact O-NE1 2.98Å; D172-W176 VanDerWaalsContact O-CD1 3.27Å; A173-W176 WeakPolarHBondContact O-CB 3.5Å; A173-W176 PolarHBondContact O-N 2.84Å; N174-W176 PolarHBondContact O-N 2.84Å; W176-D178 VanDerWaalsContact C-N 3.31Å; W176-F179 PolarHBondContact O-N 3.46Å; W176-F180 HydrophobicContact CB-CD2 4.18Å; W176-F180 HydrophobicContact CD2-CD2 4.31Å; W176-F180 AromaticContact CD2-CE2 3.98Å; W176-F180 HydrophobicContact CD2-CE2 3.98Å; W176-F180 AromaticContact CE3-CD2 3.63Å; W176-F180 HydrophobicContact CE3-CD2 3.63Å; W176-F180 AromaticContact CE3-CE2 3.23Å; W176-F180 HydrophobicContact CE3-CE2 3.23Å; W176-F180 HydrophobicContact CE3-CZ 4.29Å; W176-F180 HydrophobicContact CZ3-CD2 4.33Å; W176-F180 AromaticContact CZ3-CE2 3.56Å; W176-F180 HydrophobicContact CZ3-CE2 3.56Å; W176-F180 HydrophobicContact CZ3-CZ 4.23Å; W176-F180 PolarHBondContact O-N 2.95Å; W176-P181 WeakPolarHBondContact O-CD 3.42Å
177I95.2Very high95.5Very high16 Ų1641.6 Ų41.68%0.08223%0.225CC..Hα-helixtrans-70.4-29-179.9-58.7172.8000111C88 I93 A173 N174 H175 P181 I202 T204C88-I177 HydrophobicContact CB-CD1 4.27Å; C88-I177 HydrophobicContact CB-CG1 4.07Å; C88-I177 HydrophobicContact CB-CG2 4.45Å; I93-I177 HydrophobicContact CD1-CG1 4.48Å; A173-I177 PolarHBondContact O-N 2.96Å; N174-I177 WeakPolarHBondContact O-CA 3.46Å; N174-I177 WeakPolarHBondContact O-CB 3.37Å; N174-I177 PolarHBondContact O-N 2.68Å; H175-I177 VanDerWaalsContact C-N 3.32Å; H175-I177 PolarHBondContact O-N 2.7Å; I177-P181 WeakPolarHBondContact O-CD 3.46Å; I177-P181 WeakPolarHBondContact O-CG 3.4Å; I177-I202 HydrophobicContact CG2-CD1 3.7Å; I177-T204 HydrophobicContact CD1-CG2 4.23Å
178D94.6Very high95.7Very high82 Ų8242.1 Ų42.144%0.43923%0.228SC..Hα-helixtrans-76.3-41.2173.4-64.8-37.6000111.8N174 H175 W176 S182 R206N174-D178 PolarHBondContact O-N 2.82Å; H175-D178 PolarHBondContact O-N 2.93Å; W176-D178 VanDerWaalsContact C-N 3.31Å; D178-S182 PolarHBondContact O-OG 3.16Å; D178-R206 VanDerWaalsContact CG-NH1 3.33Å; D178-R206 IonicContact OD1-CZ 3.83Å; D178-R206 IonicContact OD1-NH1 2.86Å; D178-R206 PolarHBondContact OD1-NH1 2.89Å; D178-R206 IonicContact OD1-NH2 3.41Å; D178-R206 PolarHBondContact OD1-NH2 3.03Å; D178-R206 IonicContact OD2-NH1 2.71Å; D178-R206 PolarHBondContact OD2-NH1 2.89Å; D178-R206 IonicContact OD2-NH2 3.45Å
179F96Very high95.8Very high57 Ų5744.3 Ų44.325%0.2523%0.233CC..Hα-helixtrans-82.7-60.6-172.3-173.8-89.4000113.6Y54 F162 F170 H175 W176 S182 V183Y54-F179 HydrophobicContact CE1-CE1 4.07Å; F162-F179 HydrophobicContact CE1-CD1 4.24Å; F162-F179 AromaticContact CE1-CE1 3.59Å; F162-F179 HydrophobicContact CE1-CE1 3.59Å; F162-F179 AromaticContact CE1-CE2 3.89Å; F162-F179 HydrophobicContact CE1-CE2 3.89Å; F162-F179 AromaticContact CE1-CZ 3.37Å; F162-F179 HydrophobicContact CE1-CZ 3.37Å; F162-F179 HydrophobicContact CZ-CD1 4.03Å; F162-F179 AromaticContact CZ-CE1 3.34Å; F162-F179 HydrophobicContact CZ-CE1 3.34Å; F162-F179 HydrophobicContact CZ-CE2 4.5Å; F162-F179 AromaticContact CZ-CZ 3.62Å; F162-F179 HydrophobicContact CZ-CZ 3.62Å; F170-F179 HydrophobicContact CE1-CB 4.1Å; F170-F179 HydrophobicContact CE1-CD1 4.23Å; F170-F179 HydrophobicContact CE1-CG 4.26Å; F170-F179 HydrophobicContact CZ-CB 4Å; F170-F179 AromaticContact CZ-CD1 3.82Å; F170-F179 HydrophobicContact CZ-CD1 3.82Å; F170-F179 HydrophobicContact CZ-CD2 4.27Å; F170-F179 HydrophobicContact CZ-CE1 4.41Å; F170-F179 AromaticContact CZ-CG 3.76Å; F170-F179 HydrophobicContact CZ-CG 3.76Å; H175-F179 WeakPolarHBondContact O-CB 3.14Å; H175-F179 PolarHBondContact O-N 2.91Å; W176-F179 PolarHBondContact O-N 3.46Å; F179-S182 PolarHBondContact O-N 3.19Å; F179-S182 PolarHBondContact O-OG 3.03Å; F179-V183 HydrophobicContact CD1-CG2 4.15Å; F179-V183 HydrophobicContact CE1-CB 4.42Å; F179-V183 HydrophobicContact CE1-CG2 3.72Å; F179-V183 HydrophobicContact CE2-CG2 4.18Å; F179-V183 HydrophobicContact CZ-CG2 3.74Å; F179-V183 WeakPolarHBondContact O-CG2 3.27Å; F179-V183 PolarHBondContact O-N 3.09Å
180F96.8Very high95.8Very high0 Ų044.8 Ų44.80%024%0.238CC..Hα-helixtrans-67-37.5-167.5-76.3-67.7000114.5M51 G53 Y54 F162 F170 W176 T184M51-F180 HydrophobicContact CB-CB 4.2Å; M51-F180 WeakPolarHBondContact O-CB 3.4Å; M51-F180 WeakPolarHBondContact O-CD2 3.48Å; G53-F180 VanDerWaalsContact C-CD1 3.46Å; G53-F180 VanDerWaalsContact C-CE1 3.49Å; G53-F180 VanDerWaalsContact CA-CE1 3.45Å; G53-F180 WeakPolarHBondContact O-CD1 3.26Å; Y54-F180 HydrophobicContact CD1-CD1 4.15Å; Y54-F180 AromaticContact CD1-CE1 3.95Å; Y54-F180 HydrophobicContact CD1-CE1 3.95Å; Y54-F180 HydrophobicContact CE1-CD1 4.31Å; Y54-F180 AromaticContact CE1-CE1 3.95Å; Y54-F180 HydrophobicContact CE1-CE1 3.95Å; F162-F180 HydrophobicContact CE2-CZ 4.35Å; F162-F180 HydrophobicContact CZ-CE1 4.42Å; F162-F180 HydrophobicContact CZ-CZ 4.15Å; F170-F180 HydrophobicContact CD1-CE2 4.1Å; F170-F180 HydrophobicContact CE1-CD2 4.1Å; F170-F180 AromaticContact CE1-CE2 3.46Å; F170-F180 HydrophobicContact CE1-CE2 3.46Å; F170-F180 VanDerWaalsContact CE1-CE2 3.46Å; F170-F180 HydrophobicContact CE1-CZ 4.12Å; F170-F180 HydrophobicContact CZ-CE2 4.29Å; W176-F180 HydrophobicContact CB-CD2 4.18Å; W176-F180 HydrophobicContact CD2-CD2 4.31Å; W176-F180 AromaticContact CD2-CE2 3.98Å; W176-F180 HydrophobicContact CD2-CE2 3.98Å; W176-F180 AromaticContact CE3-CD2 3.63Å; W176-F180 HydrophobicContact CE3-CD2 3.63Å; W176-F180 AromaticContact CE3-CE2 3.23Å; W176-F180 HydrophobicContact CE3-CE2 3.23Å; W176-F180 HydrophobicContact CE3-CZ 4.29Å; W176-F180 HydrophobicContact CZ3-CD2 4.33Å; W176-F180 AromaticContact CZ3-CE2 3.56Å; W176-F180 HydrophobicContact CZ3-CE2 3.56Å; W176-F180 HydrophobicContact CZ3-CZ 4.23Å; W176-F180 PolarHBondContact O-N 2.95Å; F180-T184 VanDerWaalsContact O-CB 3.22Å; F180-T184 WeakPolarHBondContact O-CB 3.19Å; F180-T184 PolarHBondContact O-N 3.33Å; F180-T184 PolarHBondContact O-OG1 3.39Å
181P97.1Very high95.8Very high9 Ų949.6 Ų49.66%0.05826%0.259CS..Hα-helixtrans-56.9-48173.1-34.443.2000113.7M51 L86 W176 I177 T184 I185 I202M51-P181 HydrophobicContact CB-CG 4.25Å; M51-P181 HydrophobicContact CG-CG 3.93Å; M51-P181 HydrophobicContact SD-CG 4.13Å; L86-P181 HydrophobicContact CD1-CB 3.68Å; W176-P181 WeakPolarHBondContact O-CD 3.42Å; I177-P181 WeakPolarHBondContact O-CD 3.46Å; I177-P181 WeakPolarHBondContact O-CG 3.4Å; P181-T184 PolarHBondContact O-N 2.92Å; P181-I185 WeakPolarHBondContact O-CG1 3.44Å; P181-I185 PolarHBondContact O-N 3.22Å; P181-I185 VanDerWaalsContact O-N 3.08Å; P181-I202 HydrophobicContact CB-CG2 4.1Å; P181-I202 HydrophobicContact CG-CG2 4.02Å
182S95.8Very high95.9Very high69 Ų6948.3 Ų48.348%0.48325%0.251SS..Hα-helixtrans-66-43.2-177.765.50000111.7D178 F179 I185 K186D178-S182 PolarHBondContact O-OG 3.16Å; F179-S182 PolarHBondContact O-N 3.19Å; F179-S182 PolarHBondContact O-OG 3.03Å; S182-I185 PolarHBondContact O-N 3.48Å; S182-K186 PolarHBondContact O-N 2.96Å; S182-K186 VanDerWaalsContact O-N 3.12Å
183V95.7Very high96Very high22 Ų2244.7 Ų44.713%0.13323%0.232CC..Hα-helixtrans-66.5-38.2176.4177.70000111.7Y54 F179 I185 K186 H187Y54-V183 HydrophobicContact CD1-CG1 4.07Å; Y54-V183 HydrophobicContact CE1-CG1 3.7Å; F179-V183 HydrophobicContact CD1-CG2 4.15Å; F179-V183 HydrophobicContact CE1-CB 4.42Å; F179-V183 HydrophobicContact CE1-CG2 3.72Å; F179-V183 HydrophobicContact CE2-CG2 4.18Å; F179-V183 HydrophobicContact CZ-CG2 3.74Å; F179-V183 WeakPolarHBondContact O-CG2 3.27Å; F179-V183 PolarHBondContact O-N 3.09Å; V183-I185 PolarHBondContact O-N 3.42Å; V183-K186 WeakPolarHBondContact O-CB 3.43Å; V183-K186 PolarHBondContact O-N 3.48Å; V183-H187 WeakPolarHBondContact CG1-CE1 3.33Å; V183-H187 WeakPolarHBondContact CG1-NE2 3.5Å; V183-H187 PolarHBondContact O-CD2 2.88Å; V183-H187 VanDerWaalsContact O-CG 3.3Å; V183-H187 PolarHBondContact O-N 3.14Å
184T97.3Very high96.1Very high1 Ų144 Ų441%0.00623%0.227CC..Hα-helixtrans-60.6-46.1176.4-660000111.6M51 L55 L86 F180 P181 K186 H187 L188M51-T184 HydrophobicContact CE-CG2 4.26Å; M51-T184 HydrophobicContact SD-CG2 4.5Å; L55-T184 HydrophobicContact CD1-CG2 3.62Å; L55-T184 HydrophobicContact CG-CG2 3.96Å; L86-T184 HydrophobicContact CD2-CG2 3.71Å; F180-T184 VanDerWaalsContact O-CB 3.22Å; F180-T184 WeakPolarHBondContact O-CB 3.19Å; F180-T184 PolarHBondContact O-N 3.33Å; F180-T184 PolarHBondContact O-OG1 3.39Å; P181-T184 PolarHBondContact O-N 2.92Å; T184-K186 VanDerWaalsContact C-N 3.34Å; T184-K186 PolarHBondContact O-N 3.18Å; T184-H187 PolarHBondContact O-N 3.49Å; T184-L188 HydrophobicContact CG2-CD1 3.98Å; T184-L188 HydrophobicContact CG2-CG 4.41Å; T184-L188 WeakPolarHBondContact O-CG 3.23Å; T184-L188 PolarHBondContact O-N 2.92Å
185I97.3Very high96.2Very high44 Ų4440.6 Ų40.623%0.22621%0.208CC..Hα-helixtrans-59.5-46.3175.5-68.1172.6000110.3L86 P181 S182 V183 H187 L188 K189 W197L86-I185 HydrophobicContact CD1-CD1 3.98Å; L86-I185 HydrophobicContact CD1-CG1 4.05Å; P181-I185 WeakPolarHBondContact O-CG1 3.44Å; P181-I185 PolarHBondContact O-N 3.22Å; P181-I185 VanDerWaalsContact O-N 3.08Å; S182-I185 PolarHBondContact O-N 3.48Å; V183-I185 PolarHBondContact O-N 3.42Å; I185-H187 VanDerWaalsContact C-N 3.34Å; I185-H187 PolarHBondContact O-N 3.13Å; I185-L188 PolarHBondContact O-N 2.87Å; I185-K189 HydrophobicContact CG2-CD 4.29Å; I185-K189 HydrophobicContact CG2-CG 4.43Å; I185-K189 WeakPolarHBondContact O-CB 3.44Å; I185-K189 WeakPolarHBondContact O-CG 3.34Å; I185-K189 PolarHBondContact O-N 2.65Å; I185-W197 HydrophobicContact CG1-CE3 4.38Å; I185-W197 HydrophobicContact CG1-CZ3 4.35Å; I185-W197 HydrophobicContact CG2-CD2 4.3Å; I185-W197 HydrophobicContact CG2-CE3 3.89Å; I185-W197 HydrophobicContact CG2-CZ3 4.18Å
186K96.5Very high96.3Very high142 Ų14237.7 Ų37.762%0.61720%0.195SC*.Hα-helixtrans-58.2-44.6177.5-177-177.6177.9-177.40112.1S182 V183 T184 K189 S190S182-K186 PolarHBondContact O-N 2.96Å; S182-K186 VanDerWaalsContact O-N 3.12Å; V183-K186 WeakPolarHBondContact O-CB 3.43Å; V183-K186 PolarHBondContact O-N 3.48Å; T184-K186 VanDerWaalsContact C-N 3.34Å; T184-K186 PolarHBondContact O-N 3.18Å; K186-K189 PolarHBondContact O-N 2.91Å; K186-S190 WeakPolarHBondContact O-CB 3.23Å; K186-S190 PolarHBondContact O-N 3.28Å; K186-S190 PolarHBondContact O-OG 3.29Å
187H96.7Very high96.3Very high84 Ų8440.1 Ų40.139%0.38920%0.204SC..Hα-helixtrans-66-41.5179-70.2-178.6000111.9Y54 V183 T184 I185 S190 F191Y54-H187 AromaticContact CD1-CE1 3.94Å; V183-H187 WeakPolarHBondContact CG1-CE1 3.33Å; V183-H187 WeakPolarHBondContact CG1-NE2 3.5Å; V183-H187 PolarHBondContact O-CD2 2.88Å; V183-H187 VanDerWaalsContact O-CG 3.3Å; V183-H187 PolarHBondContact O-N 3.14Å; T184-H187 PolarHBondContact O-N 3.49Å; I185-H187 VanDerWaalsContact C-N 3.34Å; I185-H187 PolarHBondContact O-N 3.13Å; H187-S190 CarbonylContact O-C 3.59Å; H187-S190 WeakPolarHBondContact O-CB 3.23Å; H187-S190 PolarHBondContact O-N 3.48Å; H187-F191 WeakPolarHBondContact O-CB 3.43Å; H187-F191 PolarHBondContact O-N 3.41Å
188L97.1Very high96.4Very high11 Ų1144.6 Ų44.66%0.05822%0.22CC..Hα-helixtrans-71.6-33.3178.4-68.2175.1000113.1L55 L63 F84 T184 I185 S190 F191 G192 A193 W197L55-L188 HydrophobicContact CD1-CD1 4.18Å; L55-L188 HydrophobicContact CD1-CD2 3.98Å; L55-L188 HydrophobicContact CD1-CG 4.15Å; L63-L188 HydrophobicContact CD2-CD2 3.57Å; F84-L188 HydrophobicContact CD1-CD1 3.87Å; F84-L188 HydrophobicContact CD2-CD1 4.06Å; F84-L188 HydrophobicContact CE1-CD1 3.6Å; F84-L188 HydrophobicContact CE2-CD1 3.79Å; F84-L188 HydrophobicContact CG-CD1 4.09Å; F84-L188 HydrophobicContact CZ-CD1 3.56Å; T184-L188 HydrophobicContact CG2-CD1 3.98Å; T184-L188 HydrophobicContact CG2-CG 4.41Å; T184-L188 WeakPolarHBondContact O-CG 3.23Å; T184-L188 PolarHBondContact O-N 2.92Å; I185-L188 PolarHBondContact O-N 2.87Å; L188-S190 VanDerWaalsContact C-N 3.34Å; L188-F191 WeakPolarHBondContact O-CB 3.26Å; L188-F191 PolarHBondContact O-N 3.16Å; L188-G192 PolarHBondContact O-N 3.24Å; L188-A193 HydrophobicContact CB-CB 4.26Å; L188-A193 WeakPolarHBondContact O-CB 3.47Å; L188-A193 PolarHBondContact O-N 3.06Å; L188-W197 HydrophobicContact CB-CH2 3.52Å; L188-W197 HydrophobicContact CB-CZ2 4.27Å; L188-W197 HydrophobicContact CB-CZ3 4.39Å; L188-W197 HydrophobicContact CD1-CH2 4.23Å; L188-W197 HydrophobicContact CD1-CZ3 4.49Å
189K96.3Very high96.6Very high71 Ų7145.5 Ų45.531%0.30922%0.217SC..Hα-helixtrans-60.9-44.3168.1-76.6-174174.4-1670111.1E24 I185 K186 F191 G192 W197E24-K189 IonicContact OE1-NZ 3.81Å; E24-K189 PolarHBondContact OE1-NZ 3.01Å; I185-K189 HydrophobicContact CG2-CD 4.29Å; I185-K189 HydrophobicContact CG2-CG 4.43Å; I185-K189 WeakPolarHBondContact O-CB 3.44Å; I185-K189 WeakPolarHBondContact O-CG 3.34Å; I185-K189 PolarHBondContact O-N 2.65Å; K186-K189 PolarHBondContact O-N 2.91Å; K189-F191 VanDerWaalsContact C-N 3.28Å; K189-F191 PolarHBondContact O-N 2.96Å; K189-G192 PolarHBondContact O-N 2.86Å; K189-W197 HydrophobicContact CG-CD2 4.32Å; K189-W197 HydrophobicContact CG-CZ2 3.68Å
190S95.2Very high96.7Very high65 Ų6544.1 Ų44.146%0.45522%0.215SC..Hα-helixtrans-66.4-29.2176.6-52.80000112.8Q20 K186 H187 L188 G192Q20-S190 PolarHBondContact NE2-O 3.17Å; K186-S190 WeakPolarHBondContact O-CB 3.23Å; K186-S190 PolarHBondContact O-N 3.28Å; K186-S190 PolarHBondContact O-OG 3.29Å; H187-S190 CarbonylContact O-C 3.59Å; H187-S190 WeakPolarHBondContact O-CB 3.23Å; H187-S190 PolarHBondContact O-N 3.48Å; L188-S190 VanDerWaalsContact C-N 3.34Å; S190-G192 PolarHBondContact O-N 2.85Å
191F95Very high96.7Very high102 Ų10247.4 Ų47.445%0.44723%0.229SC..THydrogen-bonded Turntrans-71.6-15.7170.9179.6-103.1000112.7H187 L188 K189 A193H187-F191 WeakPolarHBondContact O-CB 3.43Å; H187-F191 PolarHBondContact O-N 3.41Å; L188-F191 WeakPolarHBondContact O-CB 3.26Å; L188-F191 PolarHBondContact O-N 3.16Å; K189-F191 VanDerWaalsContact C-N 3.28Å; K189-F191 PolarHBondContact O-N 2.96Å; F191-A193 HydrophobicContact CD1-CB 4.24Å
192G95.8Very high96.8Very high8 Ų848.7 Ų48.78%0.08224%0.235CC..THydrogen-bonded Turntrans78.226.9-176.500000113.9R71 L188 K189 S190 A194R71-G192 PolarHBondContact NH2-O 2.99Å; L188-G192 PolarHBondContact O-N 3.24Å; K189-G192 PolarHBondContact O-N 2.86Å; S190-G192 PolarHBondContact O-N 2.85Å; G192-A194 PolarHBondContact O-N 2.9Å
193A95.9Very high96.8Very high4 Ų445.8 Ų45.83%0.03321%0.214CC..  trans-60.5128.8179.100000111.1L188 F191 V195 W197L188-A193 HydrophobicContact CB-CB 4.26Å; L188-A193 WeakPolarHBondContact O-CB 3.47Å; L188-A193 PolarHBondContact O-N 3.06Å; F191-A193 HydrophobicContact CD1-CB 4.24Å; A193-V195 HydrophobicContact CB-CG2 3.83Å; A193-V195 PolarHBondContact O-N 2.59Å; A193-W197 HydrophobicContact CB-CH2 4.43Å; A193-W197 HydrophobicContact CB-CZ2 4.33Å
194A96.5Very high96.9Very high2 Ų245.8 Ų45.82%0.01722%0.215CC..  trans-78.556.5-177.700000112.9Y29 V70 L82 G192Y29-A194 HydrophobicContact CD1-CB 4.04Å; Y29-A194 HydrophobicContact CD2-CB 4.18Å; Y29-A194 HydrophobicContact CE1-CB 3.88Å; Y29-A194 HydrophobicContact CE2-CB 4Å; Y29-A194 HydrophobicContact CG-CB 4.19Å; V70-A194 HydrophobicContact CG2-CB 4.22Å; L82-A194 WeakPolarHBondContact CB-O 3.4Å; G192-A194 PolarHBondContact O-N 2.9Å
195V97.7Very high96.8Very high1 Ų151.6 Ų51.61%0.00625%0.246CC..  trans-104.8140.1-169.1174.20000112.1L82 F84 A193 W197L82-V195 HydrophobicContact CD2-CG2 4.01Å; L82-V195 HydrophobicContact CG-CG2 4.09Å; L82-V195 CarbonylContact O-C 3.44Å; L82-V195 WeakPolarHBondContact O-CA 3.42Å; L82-V195 WeakPolarHBondContact O-CG1 3.34Å; F84-V195 HydrophobicContact CB-CG1 3.68Å; F84-V195 HydrophobicContact CB-CG2 4.26Å; A193-V195 HydrophobicContact CB-CG2 3.83Å; A193-V195 PolarHBondContact O-N 2.59Å; V195-W197 HydrophobicContact CB-CD2 4.16Å; V195-W197 HydrophobicContact CB-CE3 4.24Å; V195-W197 HydrophobicContact CB-CH2 3.72Å; V195-W197 HydrophobicContact CB-CZ2 3.67Å; V195-W197 HydrophobicContact CB-CZ3 4.04Å; V195-W197 HydrophobicContact CG1-CD2 3.92Å; V195-W197 HydrophobicContact CG1-CE3 3.67Å; V195-W197 HydrophobicContact CG1-CH2 3.9Å; V195-W197 HydrophobicContact CG1-CZ2 4.18Å; V195-W197 HydrophobicContact CG1-CZ3 3.65Å; V195-W197 HydrophobicContact CG2-CH2 3.96Å; V195-W197 HydrophobicContact CG2-CZ2 4.21Å; V195-W197 HydrophobicContact CG2-CZ3 4.47Å; V195-W197 PolarHBondContact O-N 2.84Å; V195-W197 PolarHBondContact O-NE1 3.49Å
196D97.6Very high96.6Very high1 Ų154.5 Ų54.51%0.00525%0.254CS..  trans-79.797166.1-173.4-13.5000109.7Y29 L81 L82 R198 R199Y29-D196 WeakPolarHBondContact O-CA 3Å; Y29-D196 VanDerWaalsContact O-CB 3.28Å; Y29-D196 WeakPolarHBondContact O-CB 3.45Å; L81-D196 HydrophobicContact CD1-CB 3.99Å; L82-D196 PolarHBondContact O-N 3.35Å; D196-R198 PolarHBondContact O-N 3.01Å; D196-R198 VanDerWaalsContact OD1-CB 3.31Å; D196-R198 WeakPolarHBondContact OD1-CB 3.32Å; D196-R198 WeakPolarHBondContact OD1-CG 3.35Å; D196-R198 IonicContact OD1-CZ 2.72Å; D196-R198 PolarHBondContact OD1-N 3.29Å; D196-R198 IonicContact OD1-NE 2.72Å; D196-R198 PolarHBondContact OD1-NE 2.98Å; D196-R198 IonicContact OD1-NH2 2.73Å; D196-R198 IonicContact OD2-CZ 2.72Å; D196-R198 IonicContact OD2-NE 3.21Å; D196-R198 IonicContact OD2-NH2 3.17Å; D196-R198 PolarHBondContact OD2-NH2 3.1Å; D196-R199 HydrophobicContact CB-CG 4.44Å; D196-R199 PolarHBondContact O-N 2.84Å; D196-R199 WeakPolarHBondContact OD2-CD 3.42Å; D196-R199 IonicContact OD2-CZ 3.99Å; D196-R199 IonicContact OD2-NE 2.69Å; D196-R199 PolarHBondContact OD2-NE 3.33Å; D196-R199 IonicContact OD2-NH2 3.5Å
197W96.9Very high96.7Very high51 Ų5148.8 Ų48.819%0.19323%0.23CC..G310 helixtrans-67.4-22.5-174.3-59.9109.7000113.6F84 I185 L188 K189 A193 V195 R199 S200F84-W197 HydrophobicContact CB-CZ3 4.46Å; I185-W197 HydrophobicContact CG1-CE3 4.38Å; I185-W197 HydrophobicContact CG1-CZ3 4.35Å; I185-W197 HydrophobicContact CG2-CD2 4.3Å; I185-W197 HydrophobicContact CG2-CE3 3.89Å; I185-W197 HydrophobicContact CG2-CZ3 4.18Å; L188-W197 HydrophobicContact CB-CH2 3.52Å; L188-W197 HydrophobicContact CB-CZ2 4.27Å; L188-W197 HydrophobicContact CB-CZ3 4.39Å; L188-W197 HydrophobicContact CD1-CH2 4.23Å; L188-W197 HydrophobicContact CD1-CZ3 4.49Å; K189-W197 HydrophobicContact CG-CD2 4.32Å; K189-W197 HydrophobicContact CG-CZ2 3.68Å; A193-W197 HydrophobicContact CB-CH2 4.43Å; A193-W197 HydrophobicContact CB-CZ2 4.33Å; V195-W197 HydrophobicContact CB-CD2 4.16Å; V195-W197 HydrophobicContact CB-CE3 4.24Å; V195-W197 HydrophobicContact CB-CH2 3.72Å; V195-W197 HydrophobicContact CB-CZ2 3.67Å; V195-W197 HydrophobicContact CB-CZ3 4.04Å; V195-W197 HydrophobicContact CG1-CD2 3.92Å; V195-W197 HydrophobicContact CG1-CE3 3.67Å; V195-W197 HydrophobicContact CG1-CH2 3.9Å; V195-W197 HydrophobicContact CG1-CZ2 4.18Å; V195-W197 HydrophobicContact CG1-CZ3 3.65Å; V195-W197 HydrophobicContact CG2-CH2 3.96Å; V195-W197 HydrophobicContact CG2-CZ2 4.21Å; V195-W197 HydrophobicContact CG2-CZ3 4.47Å; V195-W197 PolarHBondContact O-N 2.84Å; V195-W197 PolarHBondContact O-NE1 3.49Å; W197-R199 PolarHBondContact O-N 3.42Å; W197-R199 VanDerWaalsContact O-N 3.12Å; W197-S200 WeakPolarHBondContact O-CB 3Å; W197-S200 PolarHBondContact O-N 2.96Å; W197-S200 VanDerWaalsContact O-N 3.11Å; W197-S200 PolarHBondContact O-OG 3.19Å
198R97.1Very high96.7Very high111 Ų11149 Ų4942%0.41924%0.238SC..G310 helixtrans-61-21.7176.3-54.6176.1-64.7171.33.6112.3E30 P31 D32 D196E30-R198 HydrophobicContact CG-CG 4.48Å; E30-R198 PolarHBondContact O-NH2 2.87Å; E30-R198 VanDerWaalsContact OE2-CD 3.28Å; E30-R198 WeakPolarHBondContact OE2-CD 3.45Å; E30-R198 IonicContact OE2-CZ 3.14Å; E30-R198 IonicContact OE2-NE 2.64Å; E30-R198 PolarHBondContact OE2-NE 3.08Å; P31-R198 PolarHBondContact O-NH2 3.45Å; D32-R198 IonicContact OD1-NH1 3.34Å; D32-R198 PolarHBondContact OD1-NH1 2.58Å; D32-R198 IonicContact OD1-NH2 2.65Å; D196-R198 PolarHBondContact O-N 3.01Å; D196-R198 VanDerWaalsContact OD1-CB 3.31Å; D196-R198 WeakPolarHBondContact OD1-CB 3.32Å; D196-R198 WeakPolarHBondContact OD1-CG 3.35Å; D196-R198 IonicContact OD1-CZ 2.72Å; D196-R198 PolarHBondContact OD1-N 3.29Å; D196-R198 IonicContact OD1-NE 2.72Å; D196-R198 PolarHBondContact OD1-NE 2.98Å; D196-R198 IonicContact OD1-NH2 2.73Å; D196-R198 IonicContact OD2-CZ 2.72Å; D196-R198 IonicContact OD2-NE 3.21Å; D196-R198 IonicContact OD2-NH2 3.17Å; D196-R198 PolarHBondContact OD2-NH2 3.1Å
199R97.6Very high96.8Very high101 Ų10157.8 Ų57.838%0.38127%0.272SS..G310 helixtrans-101.112.2-177.3-56.1176.8-169.7-96.63.2112.9P31 P83 D196 W197 F201P31-R199 PolarHBondContact O-NH2 2.99Å; P31-R199 VanDerWaalsContact O-NH2 3.1Å; P83-R199 HydrophobicContact CB-CB 4.12Å; D196-R199 HydrophobicContact CB-CG 4.44Å; D196-R199 PolarHBondContact O-N 2.84Å; D196-R199 WeakPolarHBondContact OD2-CD 3.42Å; D196-R199 IonicContact OD2-CZ 3.99Å; D196-R199 IonicContact OD2-NE 2.69Å; D196-R199 PolarHBondContact OD2-NE 3.33Å; D196-R199 IonicContact OD2-NH2 3.5Å; W197-R199 PolarHBondContact O-N 3.42Å; W197-R199 VanDerWaalsContact O-N 3.12Å; R199-F201 WeakPolarHBondContact O-CD1 3.44Å
200S98Very high96.9Very high28 Ų2856.2 Ų56.220%0.19627%0.266CS..  trans-80.2143.5175.7-46.60000110.5F84 W197F84-S200 WeakPolarHBondContact O-CA 3.32Å; F84-S200 WeakPolarHBondContact O-CB 3.5Å; W197-S200 WeakPolarHBondContact O-CB 3Å; W197-S200 PolarHBondContact O-N 2.96Å; W197-S200 VanDerWaalsContact O-N 3.11Å; W197-S200 PolarHBondContact O-OG 3.19Å
201F98.2Very high97Very high69 Ų6955 Ų5530%0.30325%0.254SS..  trans-155.7159.4-179.361.7-92.4000111.8L86 R199 T203 N207 F210L86-F201 PolarHBondContact N-O 2.74Å; R199-F201 WeakPolarHBondContact O-CD1 3.44Å; F201-T203 HydrophobicContact CD2-CG2 4.41Å; F201-T203 HydrophobicContact CE2-CG2 4.1Å; F201-N207 WeakPolarHBondContact CB-ND2 3.33Å; F201-F210 HydrophobicContact CD2-CB 4.37Å; F201-F210 AromaticContact CD2-CD2 3.66Å; F201-F210 HydrophobicContact CD2-CD2 3.66Å; F201-F210 HydrophobicContact CD2-CE2 4.1Å; F201-F210 HydrophobicContact CD2-CG 4.01Å; F201-F210 AromaticContact CE2-CD2 3.32Å; F201-F210 HydrophobicContact CE2-CD2 3.32Å; F201-F210 AromaticContact CE2-CE2 3.28Å; F201-F210 HydrophobicContact CE2-CE2 3.28Å; F201-F210 HydrophobicContact CE2-CG 4.02Å; F201-F210 AromaticContact CE2-CZ 3.95Å; F201-F210 HydrophobicContact CE2-CZ 3.95Å; F201-F210 HydrophobicContact CZ-CD2 4.02Å; F201-F210 AromaticContact CZ-CE2 3.82Å; F201-F210 HydrophobicContact CZ-CE2 3.82Å
202I97.7Very high97.2Very high35 Ų3553.7 Ų53.718%0.17926%0.258CS..BIsolated β-bridgetrans-98.2159167.764.7174000110.5L86 I177 P181 R206 N207L86-I202 HydrophobicContact CB-CG2 4.37Å; I177-I202 HydrophobicContact CG2-CD1 3.7Å; P181-I202 HydrophobicContact CB-CG2 4.1Å; P181-I202 HydrophobicContact CG-CG2 4.02Å; I202-R206 HydrophobicContact CD1-CB 3.86Å; I202-N207 HydrophobicContact CG1-CB 3.79Å; I202-N207 WeakPolarHBondContact O-CB 3.35Å; I202-N207 PolarHBondContact O-ND2 3.17Å
203T97.7Very high97.3Very high8 Ų858.4 Ų58.45%0.04928%0.276CS..  trans-105.9-4.9-165.163.70000116.2F48 L86 H87 C88 T89 F201 F210F48-T203 HydrophobicContact CD2-CG2 3.9Å; F48-T203 HydrophobicContact CE2-CG2 3.67Å; L86-T203 WeakPolarHBondContact O-CG2 3.34Å; H87-T203 PolarHBondContact CD2-OG1 3Å; C88-T203 PolarHBondContact N-OG1 2.67Å; T89-T203 PolarHBondContact N-OG1 3.18Å; T89-T203 VanDerWaalsContact OG1-CB 3.3Å; T89-T203 WeakPolarHBondContact OG1-CB 3.45Å; T89-T203 PolarHBondContact OG1-O 3.04Å; T89-T203 PolarHBondContact OG1-OG1 2.81Å; F201-T203 HydrophobicContact CD2-CG2 4.41Å; F201-T203 HydrophobicContact CE2-CG2 4.1Å; T203-F210 VanDerWaalsContact CA-CD1 3.49Å; T203-F210 HydrophobicContact CG2-CD1 4.39Å; T203-F210 HydrophobicContact CG2-CE1 3.89Å; T203-F210 HydrophobicContact CG2-CZ 4.15Å; T203-F210 WeakPolarHBondContact O-CD1 3.43Å
204T96.2Very high97.4Very high22 Ų2260.2 Ų60.214%0.13529%0.286CS..SBendtrans-83.7175177.159.10000111.3C88 I177 R206 N207C88-T204 HydrophobicContact CB-CG2 3.71Å; C88-T204 WeakPolarHBondContact O-CG2 3.36Å; I177-T204 HydrophobicContact CD1-CG2 4.23Å; T204-R206 PolarHBondContact O-N 3.41Å; T204-R206 VanDerWaalsContact O-N 3.13Å; T204-N207 PolarHBondContact O-N 2.82Å
205D95.3Very high97.5Very high123 Ų12367.6 Ų67.666%0.65831%0.314SS*.THydrogen-bonded Turntrans-58.5-16.5172.760.3-14.7000114.4N207D205-N207 PolarHBondContact O-N 2.98Å
206R94.6Very high97.6Very high106 Ų10674.2 Ų74.240%0.434%0.339SS..THydrogen-bonded Turntrans-58.1-23.8167.5-67.9-165.864.8-167.3-4.3113.4N174 D178 I202 T204 P208N174-R206 PolarHBondContact O-NH1 2.8Å; D178-R206 VanDerWaalsContact CG-NH1 3.33Å; D178-R206 IonicContact OD1-CZ 3.83Å; D178-R206 IonicContact OD1-NH1 2.86Å; D178-R206 PolarHBondContact OD1-NH1 2.89Å; D178-R206 IonicContact OD1-NH2 3.41Å; D178-R206 PolarHBondContact OD1-NH2 3.03Å; D178-R206 IonicContact OD2-NH1 2.71Å; D178-R206 PolarHBondContact OD2-NH1 2.89Å; D178-R206 IonicContact OD2-NH2 3.45Å; I202-R206 HydrophobicContact CD1-CB 3.86Å; T204-R206 PolarHBondContact O-N 3.41Å; T204-R206 VanDerWaalsContact O-N 3.13Å; R206-P208 WeakPolarHBondContact O-CD 3.35Å
207N96.8Very high97.6Very high22 Ų2278.1 Ų78.112%0.11836%0.357CS..SBendtrans-102.4100.5170177.62.5000110.2F201 I202 T204 D205 Y209 F210 D211F201-N207 WeakPolarHBondContact CB-ND2 3.33Å; I202-N207 HydrophobicContact CG1-CB 3.79Å; I202-N207 WeakPolarHBondContact O-CB 3.35Å; I202-N207 PolarHBondContact O-ND2 3.17Å; T204-N207 PolarHBondContact O-N 2.82Å; D205-N207 PolarHBondContact O-N 2.98Å; N207-Y209 PolarHBondContact O-N 3.22Å; N207-Y209 PolarHBondContact OD1-N 2.98Å; N207-Y209 VanDerWaalsContact OD1-N 3.14Å; N207-F210 HydrophobicContact CB-CB 4.25Å; N207-F210 VanDerWaalsContact ND2-CB 3.28Å; N207-F210 WeakPolarHBondContact ND2-CB 3.49Å; N207-F210 PolarHBondContact O-N 2.93Å; N207-F210 PolarHBondContact OD1-N 3.11Å; N207-D211 WeakPolarHBondContact O-CB 3.39Å; N207-D211 PolarHBondContact O-N 3.27Å
208P97.8Very high97.7Very high87 Ų8782.3 Ų82.357%0.56537%0.374SS*.Hα-helixtrans-63.6-28.8-175.525.6-34.9000113.1R206 S212R206-P208 WeakPolarHBondContact O-CD 3.35Å; P208-S212 VanDerWaalsContact O-CB 3.25Å; P208-S212 WeakPolarHBondContact O-CB 3.3Å; P208-S212 PolarHBondContact O-N 3.35Å
209Y98.5Very high97.7Very high197 Ų19781.9 Ų81.977%0.77338%0.379SS*.Hα-helixtrans-70.3-45.1178.9-60.4-80000111.6N207 S212 F213N207-Y209 PolarHBondContact O-N 3.22Å; N207-Y209 PolarHBondContact OD1-N 2.98Å; N207-Y209 VanDerWaalsContact OD1-N 3.14Å; Y209-S212 PolarHBondContact O-N 3.01Å; Y209-F213 PolarHBondContact O-N 2.94Å
210F98.2Very high97.8Very high37 Ų3782.8 Ų82.816%0.16238%0.383CS..Hα-helixtrans-73.2-36.4178.4-168.9-98.9000111.7F201 T203 N207 S212 F213 V214F201-F210 HydrophobicContact CD2-CB 4.37Å; F201-F210 AromaticContact CD2-CD2 3.66Å; F201-F210 HydrophobicContact CD2-CD2 3.66Å; F201-F210 HydrophobicContact CD2-CE2 4.1Å; F201-F210 HydrophobicContact CD2-CG 4.01Å; F201-F210 AromaticContact CE2-CD2 3.32Å; F201-F210 HydrophobicContact CE2-CD2 3.32Å; F201-F210 AromaticContact CE2-CE2 3.28Å; F201-F210 HydrophobicContact CE2-CE2 3.28Å; F201-F210 HydrophobicContact CE2-CG 4.02Å; F201-F210 AromaticContact CE2-CZ 3.95Å; F201-F210 HydrophobicContact CE2-CZ 3.95Å; F201-F210 HydrophobicContact CZ-CD2 4.02Å; F201-F210 AromaticContact CZ-CE2 3.82Å; F201-F210 HydrophobicContact CZ-CE2 3.82Å; T203-F210 VanDerWaalsContact CA-CD1 3.49Å; T203-F210 HydrophobicContact CG2-CD1 4.39Å; T203-F210 HydrophobicContact CG2-CE1 3.89Å; T203-F210 HydrophobicContact CG2-CZ 4.15Å; T203-F210 WeakPolarHBondContact O-CD1 3.43Å; N207-F210 HydrophobicContact CB-CB 4.25Å; N207-F210 VanDerWaalsContact ND2-CB 3.28Å; N207-F210 WeakPolarHBondContact ND2-CB 3.49Å; N207-F210 PolarHBondContact O-N 2.93Å; N207-F210 PolarHBondContact OD1-N 3.11Å; F210-S212 PolarHBondContact O-N 2.8Å; F210-F213 HydrophobicContact CD2-CD1 4.31Å; F210-F213 HydrophobicContact CE2-CD1 4.09Å; F210-F213 WeakPolarHBondContact O-CB 3.26Å; F210-F213 PolarHBondContact O-N 3.38Å; F210-V214 HydrophobicContact CD1-CG2 3.87Å; F210-V214 HydrophobicContact CE1-CG2 3.54Å; F210-V214 HydrophobicContact CZ-CG2 3.98Å; F210-V214 WeakPolarHBondContact O-CG2 3.48Å; F210-V214 PolarHBondContact O-N 3.16Å
211D98.4Very high97.8Very high41 Ų4184.3 Ų84.322%0.21939%0.388CS..Hα-helixtrans-58-47.3171.2-175.560.8000111.4N207 F213 V214 R215N207-D211 WeakPolarHBondContact O-CB 3.39Å; N207-D211 PolarHBondContact O-N 3.27Å; D211-F213 VanDerWaalsContact C-N 3.34Å; D211-F213 PolarHBondContact O-N 3.01Å; D211-V214 PolarHBondContact O-N 3Å; D211-R215 VanDerWaalsContact O-CG 3.31Å; D211-R215 WeakPolarHBondContact O-CG 3.37Å; D211-R215 PolarHBondContact O-N 3.05Å; D211-R215 IonicContact OD1-NE 3.87Å; D211-R215 IonicContact OD2-CZ 2.67Å; D211-R215 IonicContact OD2-NE 3.93Å; D211-R215 PolarHBondContact OD2-NE 3.18Å; D211-R215 IonicContact OD2-NH2 2.89Å; D211-R215 PolarHBondContact OD2-NH2 2.91Å
212S98.6Very high97.8Very high74 Ų7488 Ų8852%0.51740%0.404SS..Hα-helixtrans-59.4-42.6175.1-175.30000112.4P208 Y209 F210 R215 W216P208-S212 VanDerWaalsContact O-CB 3.25Å; P208-S212 WeakPolarHBondContact O-CB 3.3Å; P208-S212 PolarHBondContact O-N 3.35Å; Y209-S212 PolarHBondContact O-N 3.01Å; F210-S212 PolarHBondContact O-N 2.8Å; S212-R215 PolarHBondContact O-N 2.92Å; S212-W216 PolarHBondContact O-N 3Å
213F98.7Very high97.8Very high107 Ų10791.9 Ų91.947%0.46942%0.422SS..Hα-helixtrans-60.5-45.8174.6173.9-98.2000112.3Y209 F210 D211 W216 Q217Y209-F213 PolarHBondContact O-N 2.94Å; F210-F213 HydrophobicContact CD2-CD1 4.31Å; F210-F213 HydrophobicContact CE2-CD1 4.09Å; F210-F213 WeakPolarHBondContact O-CB 3.26Å; F210-F213 PolarHBondContact O-N 3.38Å; D211-F213 VanDerWaalsContact C-N 3.34Å; D211-F213 PolarHBondContact O-N 3.01Å; F213-W216 HydrophobicContact CD2-CE3 4.08Å; F213-W216 HydrophobicContact CD2-CZ3 4.27Å; F213-W216 HydrophobicContact CE2-CE3 4.01Å; F213-W216 AromaticContact CE2-CZ3 3.73Å; F213-W216 HydrophobicContact CE2-CZ3 3.73Å; F213-W216 HydrophobicContact CZ-CZ3 4.3Å; F213-W216 PolarHBondContact O-N 3.45Å; F213-Q217 PolarHBondContact O-N 3.01Å
214V98.4Very high97.8Very high41 Ų4194.3 Ų94.325%0.24844%0.442CS..Hα-helixtrans-66-41.1177.8173.60000110.9F210 D211 W216 Q217 Y218F210-V214 HydrophobicContact CD1-CG2 3.87Å; F210-V214 HydrophobicContact CE1-CG2 3.54Å; F210-V214 HydrophobicContact CZ-CG2 3.98Å; F210-V214 WeakPolarHBondContact O-CG2 3.48Å; F210-V214 PolarHBondContact O-N 3.16Å; D211-V214 PolarHBondContact O-N 3Å; V214-W216 PolarHBondContact O-N 2.86Å; V214-Q217 WeakPolarHBondContact O-CB 3.02Å; V214-Q217 PolarHBondContact O-N 2.83Å; V214-Y218 HydrophobicContact CG1-CD2 3.78Å; V214-Y218 HydrophobicContact CG1-CE2 3.86Å; V214-Y218 WeakPolarHBondContact O-CD2 3.35Å; V214-Y218 PolarHBondContact O-N 3.35Å
215R98.5Very high97.8Very high157 Ų157102.2 Ų102.259%0.59248%0.475SS*.Hα-helixtrans-58.3-48.2173.6-73.3174.5-173.5-101.6-2111.6D211 S212 Q217 Y218 L219D211-R215 VanDerWaalsContact O-CG 3.31Å; D211-R215 WeakPolarHBondContact O-CG 3.37Å; D211-R215 PolarHBondContact O-N 3.05Å; D211-R215 IonicContact OD1-NE 3.87Å; D211-R215 IonicContact OD2-CZ 2.67Å; D211-R215 IonicContact OD2-NE 3.93Å; D211-R215 PolarHBondContact OD2-NE 3.18Å; D211-R215 IonicContact OD2-NH2 2.89Å; D211-R215 PolarHBondContact OD2-NH2 2.91Å; S212-R215 PolarHBondContact O-N 2.92Å; R215-Q217 VanDerWaalsContact C-N 3.31Å; R215-Q217 PolarHBondContact O-N 3.04Å; R215-Y218 PolarHBondContact O-N 3.47Å; R215-L219 VanDerWaalsContact O-CG 3.28Å; R215-L219 WeakPolarHBondContact O-CG 3.39Å; R215-L219 PolarHBondContact O-N 3.04Å
216W98.7Very high97.9Very high141 Ų141104 Ų10453%0.53448%0.477SS..Hα-helixtrans-56.1-46.8174.916582.1000111.3S212 F213 V214 Y218 L219 R220S212-W216 PolarHBondContact O-N 3Å; F213-W216 HydrophobicContact CD2-CE3 4.08Å; F213-W216 HydrophobicContact CD2-CZ3 4.27Å; F213-W216 HydrophobicContact CE2-CE3 4.01Å; F213-W216 AromaticContact CE2-CZ3 3.73Å; F213-W216 HydrophobicContact CE2-CZ3 3.73Å; F213-W216 HydrophobicContact CZ-CZ3 4.3Å; F213-W216 PolarHBondContact O-N 3.45Å; V214-W216 PolarHBondContact O-N 2.86Å; W216-Y218 PolarHBondContact O-N 3.05Å; W216-L219 PolarHBondContact O-N 2.84Å; W216-R220 HydrophobicContact CD2-CG 4.39Å; W216-R220 HydrophobicContact CZ2-CG 4.12Å; W216-R220 WeakPolarHBondContact O-CG 3.46Å; W216-R220 PolarHBondContact O-N 3.28Å
217Q98.6Very high98Very high82 Ų82102.5 Ų102.538%0.38348%0.476SS..Hα-helixtrans-58.3-48.6177.8-176.8-174.516.600111.7F213 V214 R215 L219 R220 L221F213-Q217 PolarHBondContact O-N 3.01Å; V214-Q217 WeakPolarHBondContact O-CB 3.02Å; V214-Q217 PolarHBondContact O-N 2.83Å; R215-Q217 VanDerWaalsContact C-N 3.31Å; R215-Q217 PolarHBondContact O-N 3.04Å; Q217-L219 VanDerWaalsContact C-N 3.33Å; Q217-L219 PolarHBondContact O-N 3.22Å; Q217-R220 PolarHBondContact O-N 3.34Å; Q217-L221 HydrophobicContact CG-CD1 4.17Å; Q217-L221 WeakPolarHBondContact O-CG 3.42Å; Q217-L221 PolarHBondContact O-N 3.29Å
218Y98.2Very high97.8Very high139 Ų139109 Ų10955%0.54551%0.511SS..Hα-helixtrans-65.9-34.8179.9-89.7-106000112.5V214 R215 W216 L221 K222 I227V214-Y218 HydrophobicContact CG1-CD2 3.78Å; V214-Y218 HydrophobicContact CG1-CE2 3.86Å; V214-Y218 WeakPolarHBondContact O-CD2 3.35Å; V214-Y218 PolarHBondContact O-N 3.35Å; R215-Y218 PolarHBondContact O-N 3.47Å; W216-Y218 PolarHBondContact O-N 3.05Å; Y218-L221 PolarHBondContact O-N 3.03Å; Y218-K222 WeakPolarHBondContact O-CB 3.46Å; Y218-K222 PolarHBondContact O-N 3.35Å; Y218-I227 HydrophobicContact CD1-CD1 3.58Å; Y218-I227 HydrophobicContact CE1-CD1 4.26Å; Y218-I227 HydrophobicContact CG-CD1 4.26Å; Y218-I227 WeakPolarHBondContact O-CD1 2.93Å
219L98.3Very high97.7Very high103 Ų103114.6 Ų114.654%0.53953%0.527SS..Hα-helixtrans-63.7-46.2172.3-70.3171.4000111.4R215 W216 Q217 L221 K222 E223R215-L219 VanDerWaalsContact O-CG 3.28Å; R215-L219 WeakPolarHBondContact O-CG 3.39Å; R215-L219 PolarHBondContact O-N 3.04Å; W216-L219 PolarHBondContact O-N 2.84Å; Q217-L219 VanDerWaalsContact C-N 3.33Å; Q217-L219 PolarHBondContact O-N 3.22Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 PolarHBondContact O-N 3.26Å; L219-K222 PolarHBondContact O-N 2.86Å; L219-E223 WeakPolarHBondContact O-CG 3.41Å; L219-E223 PolarHBondContact O-N 3.09Å
220R98.3Very high97.5Very high120 Ų120107.7 Ų107.745%0.45352%0.515SS..Hα-helixtrans-61.6-40.9175.2-66.9-57.6108.2-179.73112.1W216 Q217 K222 E223 A224W216-R220 HydrophobicContact CD2-CG 4.39Å; W216-R220 HydrophobicContact CZ2-CG 4.12Å; W216-R220 WeakPolarHBondContact O-CG 3.46Å; W216-R220 PolarHBondContact O-N 3.28Å; Q217-R220 PolarHBondContact O-N 3.34Å; R220-K222 VanDerWaalsContact C-N 3.33Å; R220-K222 PolarHBondContact O-N 3.32Å; R220-E223 IonicContact CZ-OE1 3.09Å; R220-E223 IonicContact CZ-OE2 3.74Å; R220-E223 IonicContact NE-OE1 3.67Å; R220-E223 IonicContact NE-OE2 3.31Å; R220-E223 PolarHBondContact NE-OE2 3.4Å; R220-E223 IonicContact NH1-OE1 2.74Å; R220-E223 PolarHBondContact NH1-OE1 3.33Å; R220-E223 IonicContact NH1-OE2 3.86Å; R220-E223 PolarHBondContact NH1-OE2 3.17Å; R220-E223 IonicContact NH2-OE1 3.04Å; R220-E223 PolarHBondContact NH2-OE1 2.71Å; R220-E223 IonicContact NH2-OE2 3.64Å; R220-E223 PolarHBondContact NH2-OE2 3.34Å; R220-E223 PolarHBondContact O-N 2.83Å; R220-A224 VanDerWaalsContact O-CB 3.3Å; R220-A224 WeakPolarHBondContact O-CB 3.28Å; R220-A224 PolarHBondContact O-N 3.37Å
221L98.3Very high97.2Very high60 Ų60114.8 Ų114.831%0.31455%0.546SS..Hα-helixtrans-63.5-38.9176.2-73.9170.9000112Q217 Y218 L219 A224 K225 K226 I227Q217-L221 HydrophobicContact CG-CD1 4.17Å; Q217-L221 WeakPolarHBondContact O-CG 3.42Å; Q217-L221 PolarHBondContact O-N 3.29Å; Y218-L221 PolarHBondContact O-N 3.03Å; L219-L221 VanDerWaalsContact C-N 3.34Å; L219-L221 PolarHBondContact O-N 3.26Å; L221-A224 CarbonylContact O-C 3.5Å; L221-A224 PolarHBondContact O-N 3.42Å; L221-K225 PolarHBondContact O-N 3.5Å; L221-K226 HydrophobicContact CB-CB 4.35Å; L221-K226 HydrophobicContact CD2-CB 3.9Å; L221-K226 HydrophobicContact CD2-CG 4.23Å; L221-K226 WeakPolarHBondContact O-CB 3.41Å; L221-K226 PolarHBondContact O-N 3.18Å; L221-I227 HydrophobicContact CB-CD1 3.69Å; L221-I227 HydrophobicContact CB-CG1 3.88Å
222K97.4Very high97Very high147 Ų147123.1 Ų123.164%0.63957%0.574SS**Hα-helixtrans-65.3-47174.9-173.5178.6179.2-179.10111.5Y218 L219 R220 A224 K225 I227Y218-K222 WeakPolarHBondContact O-CB 3.46Å; Y218-K222 PolarHBondContact O-N 3.35Å; L219-K222 PolarHBondContact O-N 2.86Å; R220-K222 VanDerWaalsContact C-N 3.33Å; R220-K222 PolarHBondContact O-N 3.32Å; K222-A224 VanDerWaalsContact C-N 3.28Å; K222-A224 PolarHBondContact O-N 3.29Å; K222-K225 PolarHBondContact O-N 2.95Å; K222-I227 HydrophobicContact CB-CD1 4.46Å
223E97.6Very high96.8Very high116 Ų116128.7 Ų128.754%0.54259%0.585SS.*Hα-helixtrans-59-40.1175.4-72.2173.1-174.400112.1L219 R220 K225L219-E223 WeakPolarHBondContact O-CG 3.41Å; L219-E223 PolarHBondContact O-N 3.09Å; R220-E223 IonicContact CZ-OE1 3.09Å; R220-E223 IonicContact CZ-OE2 3.74Å; R220-E223 IonicContact NE-OE1 3.67Å; R220-E223 IonicContact NE-OE2 3.31Å; R220-E223 PolarHBondContact NE-OE2 3.4Å; R220-E223 IonicContact NH1-OE1 2.74Å; R220-E223 PolarHBondContact NH1-OE1 3.33Å; R220-E223 IonicContact NH1-OE2 3.86Å; R220-E223 PolarHBondContact NH1-OE2 3.17Å; R220-E223 IonicContact NH2-OE1 3.04Å; R220-E223 PolarHBondContact NH2-OE1 2.71Å; R220-E223 IonicContact NH2-OE2 3.64Å; R220-E223 PolarHBondContact NH2-OE2 3.34Å; R220-E223 PolarHBondContact O-N 2.83Å; E223-K225 PolarHBondContact O-N 3.36Å
224A98Very high96.7Very high58 Ų58126.3 Ų126.348%0.47958%0.58SS.*THydrogen-bonded Turntrans-77.47.6175.700000114.1R220 L221 K222 K226R220-A224 VanDerWaalsContact O-CB 3.3Å; R220-A224 WeakPolarHBondContact O-CB 3.28Å; R220-A224 PolarHBondContact O-N 3.37Å; L221-A224 CarbonylContact O-C 3.5Å; L221-A224 PolarHBondContact O-N 3.42Å; K222-A224 VanDerWaalsContact C-N 3.28Å; K222-A224 PolarHBondContact O-N 3.29Å; A224-K226 VanDerWaalsContact C-N 3.26Å; A224-K226 HydrophobicContact CB-CG 4.1Å; A224-K226 PolarHBondContact O-N 3.09Å
225K96.9Very high96.5Very high189 Ų189126.9 Ų126.982%0.82258%0.581SS**THydrogen-bonded Turntrans53.539.3-179.3-56.4-179.8-179.5179.20113.3L221 K222 E223L221-K225 PolarHBondContact O-N 3.5Å; K222-K225 PolarHBondContact O-N 2.95Å; E223-K225 PolarHBondContact O-N 3.36Å
226K97.4Very high96.3Very high160 Ų160123.2 Ų123.270%0.69657%0.569SS**  trans-98.6-8.2175.7-58.1-56.7-178.2-177.40113.4L221 A224L221-K226 HydrophobicContact CB-CB 4.35Å; L221-K226 HydrophobicContact CD2-CB 3.9Å; L221-K226 HydrophobicContact CD2-CG 4.23Å; L221-K226 WeakPolarHBondContact O-CB 3.41Å; L221-K226 PolarHBondContact O-N 3.18Å; A224-K226 VanDerWaalsContact C-N 3.26Å; A224-K226 HydrophobicContact CB-CG 4.1Å; A224-K226 PolarHBondContact O-N 3.09Å
227I95.9Very high96.1Very high74 Ų74117.5 Ų117.538%0.37955%0.551SS.*  trans-114.3130.2174.1-60173.4000107.6Y218 L221 K222Y218-I227 HydrophobicContact CD1-CD1 3.58Å; Y218-I227 HydrophobicContact CE1-CD1 4.26Å; Y218-I227 HydrophobicContact CG-CD1 4.26Å; Y218-I227 WeakPolarHBondContact O-CD1 2.93Å; L221-I227 HydrophobicContact CB-CD1 3.69Å; L221-I227 HydrophobicContact CB-CG1 3.88Å; K222-I227 HydrophobicContact CB-CD1 4.46Å
228D94Very high95.9Very high159 Ų159116.1 Ų116.185%0.8555%0.549SS*.  trans-131.1155.8178-160.94.4000109.9
229F95.1Very high95.5Very high205 Ų205118.7 Ų118.790%0.89956%0.563SS**  trans-120.5123.3177.9178.8-96.8000109.7
230G93.8Very high95Very high51 Ų51117.3 Ų117.353%0.52656%0.556SS.*  trans-175.2166.1178.200000112.8R232G230-R232 PolarHBondContact O-N 3.23Å
231K92.6Very high94.8Very high187 Ų187114.2 Ų114.281%0.81356%0.561SS**  trans-75.5117.7175.9-164.2172.2-174.7176.90109.3
232R94.1Very high94.5Very high216 Ų216114.7 Ų114.782%0.81556%0.562SS**  trans-133149-176.7-58.4-63.4-67.6165.2-2.5110.3G230G230-R232 PolarHBondContact O-N 3.23Å
233Y94.8Very high94.3Very high190 Ų190110.7 Ų110.775%0.74555%0.551SS**  trans-72.8136.6169.8-62.3-63.7000110.3
234T95.1Very high94.1Very high58 Ų58106.1 Ų106.136%0.35653%0.532SS..  trans-151.4159.6174.6-171.40000109.1F236 P243 C257T234-F236 PolarHBondContact O-N 3.4Å; T234-P243 HydrophobicContact CG2-CB 3.85Å; T234-P243 HydrophobicContact CG2-CG 3.93Å; T234-C257 VanDerWaalsContact C-SG 3.5Å
235I95.1Very high93.7Very high53 Ų53108.1 Ų108.127%0.27253%0.533SS..  trans-68.7126.8166.1-59.7-56.8000107.1P243 C244I235-P243 CarbonylContact O-C 3.5Å; I235-P243 WeakPolarHBondContact O-CA 3.43Å; I235-C244 HydrophobicContact CG2-CB 4.37Å; I235-C244 PolarHBondContact O-N 3.15Å
236F95Very high93.1Very high79 Ų79102.3 Ų102.335%0.34651%0.512SS..EExtended strand (participates in β ladder)trans-125.2140.4-171.1-171.6-94.2000109.8T234 P238 G241 Q242 F334T234-F236 PolarHBondContact O-N 3.4Å; F236-P238 HydrophobicContact CD1-CG 4.46Å; F236-P238 WeakPolarHBondContact O-CD 3.43Å; F236-G241 WeakPolarHBondContact CZ-O 3.42Å; F236-Q242 WeakPolarHBondContact CD2-O 3.22Å; F236-Q242 VanDerWaalsContact CE2-C 3.45Å; F236-Q242 VanDerWaalsContact CE2-CA 3.44Å; F236-F334 AromaticContact CD1-CD1 3.84Å; F236-F334 HydrophobicContact CD1-CD1 3.84Å; F236-F334 AromaticContact CD1-CE1 3.99Å; F236-F334 HydrophobicContact CD1-CE1 3.99Å; F236-F334 AromaticContact CE1-CD1 3.77Å; F236-F334 HydrophobicContact CE1-CD1 3.77Å; F236-F334 AromaticContact CE1-CE1 3.57Å; F236-F334 HydrophobicContact CE1-CE1 3.57Å
237S93.6Very high92.2Very high22 Ų2299.1 Ų99.115%0.15450%0.499CS..EExtended strand (participates in β ladder)trans-100.4109.9171.8176.20000109.1K239 D240 G241 Q242S237-K239 PolarHBondContact O-N 3.19Å; S237-D240 WeakPolarHBondContact CB-OD2 3.3Å; S237-D240 PolarHBondContact O-N 3.41Å; S237-D240 VanDerWaalsContact OG-CG 3.23Å; S237-D240 PolarHBondContact OG-N 2.97Å; S237-D240 PolarHBondContact OG-OD2 3.21Å; S237-G241 PolarHBondContact O-N 3.23Å; S237-Q242 PolarHBondContact N-O 3.01Å
238P93.6Very high91.5Very high52 Ų5298 Ų9834%0.33849%0.494SS..THydrogen-bonded Turntrans-59.3-27.2175.2-29.739000113.8F236 F334F236-P238 HydrophobicContact CD1-CG 4.46Å; F236-P238 WeakPolarHBondContact O-CD 3.43Å; P238-F334 HydrophobicContact CB-CE1 4.3Å; P238-F334 HydrophobicContact CB-CE2 3.85Å; P238-F334 HydrophobicContact CB-CZ 3.53Å; P238-F334 HydrophobicContact CG-CD2 4.22Å; P238-F334 HydrophobicContact CG-CE1 4.39Å; P238-F334 HydrophobicContact CG-CE2 3.63Å; P238-F334 HydrophobicContact CG-CZ 3.74Å
239K89.7Confident90.9Very high193 Ų19392.7 Ų92.784%0.83946%0.462SS*.THydrogen-bonded Turntrans-73-43178.3-176-177.3176.7-173.80111.1S237S237-K239 PolarHBondContact O-N 3.19Å
240D89.4Confident90.2Very high75 Ų7587.7 Ų87.740%0.40145%0.453SS..THydrogen-bonded Turntrans-87.7-12.6-175.8-48.7-45.7000112.1S237 Q242S237-D240 WeakPolarHBondContact CB-OD2 3.3Å; S237-D240 PolarHBondContact O-N 3.41Å; S237-D240 VanDerWaalsContact OG-CG 3.23Å; S237-D240 PolarHBondContact OG-N 2.97Å; S237-D240 PolarHBondContact OG-OD2 3.21Å; D240-Q242 HydrophobicContact CB-CG 3.99Å; D240-Q242 PolarHBondContact O-N 3.29Å
241G92.7Very high89.6Confident54 Ų5489.1 Ų89.156%0.55745%0.454SS*.THydrogen-bonded Turntrans67.921.6178.200000113.9F236 S237F236-G241 WeakPolarHBondContact CZ-O 3.42Å; S237-G241 PolarHBondContact O-N 3.23Å
242Q92.8Very high89.1Confident71 Ų7181.8 Ų81.833%0.33243%0.431SS..EExtended strand (participates in β ladder)trans-149.5166.6-174.168.2-1806.600112.8M91 F236 S237 D240 C244M91-Q242 VanDerWaalsContact CG-NE2 3.35Å; M91-Q242 PolarHBondContact SD-NE2 3.03Å; F236-Q242 WeakPolarHBondContact CD2-O 3.22Å; F236-Q242 VanDerWaalsContact CE2-C 3.45Å; F236-Q242 VanDerWaalsContact CE2-CA 3.44Å; S237-Q242 PolarHBondContact N-O 3.01Å; D240-Q242 HydrophobicContact CB-CG 3.99Å; D240-Q242 PolarHBondContact O-N 3.29Å; Q242-C244 PolarHBondContact O-N 2.66Å
243P93.9Very high88.4Confident63 Ų6374.8 Ų74.841%0.40941%0.408SS..EExtended strand (participates in β ladder)trans-54.9132.2170.7-24.535.4000111.8T234 I235T234-P243 HydrophobicContact CG2-CB 3.85Å; T234-P243 HydrophobicContact CG2-CG 3.93Å; I235-P243 CarbonylContact O-C 3.5Å; I235-P243 WeakPolarHBondContact O-CA 3.43Å
244C92.2Very high87.9Confident20 Ų2068.5 Ų68.514%0.13540%0.401CS..  trans-103.689.9178.3-175.80000109.3I235 Q242 R249I235-C244 HydrophobicContact CG2-CB 4.37Å; I235-C244 PolarHBondContact O-N 3.15Å; Q242-C244 PolarHBondContact O-N 2.66Å; C244-R249 PolarHBondContact O-NE 2.96Å; C244-R249 PolarHBondContact O-NH2 3.38Å; C244-R249 VanDerWaalsContact O-NH2 3.09Å; C244-R249 VanDerWaalsContact SG-CG 3.58Å
245L90.1Very high87.6Confident99 Ų9969.3 Ų69.352%0.51841%0.406SS..  trans-81173.2-178.3-59.6-177.6000110.8H247 D248 R249L245-H247 VanDerWaalsContact C-N 3.26Å; L245-H247 PolarHBondContact O-N 3.12Å; L245-H247 VanDerWaalsContact O-N 3.12Å; L245-D248 PolarHBondContact N-OD2 2.9Å; L245-D248 PolarHBondContact O-N 3.41Å; L245-R249 WeakPolarHBondContact O-CG 3.49Å
246D84.4Confident87.4Confident68 Ų6869.3 Ų69.336%0.36442%0.419SS..G310 helixtrans-53.8-38-169-76.5-21.1000114.5D248 R249 E253 G254D246-D248 VanDerWaalsContact C-N 3.33Å; D246-R249 IonicContact OD1-CZ 3.84Å; D246-R249 IonicContact OD1-NH1 3.45Å; D246-E253 HydrophobicContact CB-CG 4.02Å; D246-G254 PolarHBondContact OD1-N 3.21Å
247H77.5Confident87.2Confident92 Ų9269 Ų6943%0.42643%0.426SS..G310 helixtrans-80.6-12.5-178.9-70.8-170.5000114.2Y50 L245Y50-H247 HydrophobicContact CE2-CB 4.44Å; Y50-H247 AromaticContact CE2-ND1 3.65Å; Y50-H247 AromaticContact CZ-ND1 3.7Å; Y50-H247 PolarHBondContact OH-ND1 2.99Å; L245-H247 VanDerWaalsContact C-N 3.26Å; L245-H247 PolarHBondContact O-N 3.12Å; L245-H247 VanDerWaalsContact O-N 3.12Å
248D81.6Confident87.2Confident52 Ų5272.6 Ų72.628%0.27844%0.44SS..G310 helixtrans-92.2-5.7177-50.7-39.4000111.7M91 L245 D246M91-D248 HydrophobicContact CB-CB 4.21Å; M91-D248 WeakPolarHBondContact CB-OD1 3.36Å; M91-D248 HydrophobicContact CG-CB 4.37Å; M91-D248 WeakPolarHBondContact CG-OD1 3.31Å; L245-D248 PolarHBondContact N-OD2 2.9Å; L245-D248 PolarHBondContact O-N 3.41Å; D246-D248 VanDerWaalsContact C-N 3.33Å
249R82.6Confident87.2Confident46 Ų4676.8 Ų76.817%0.17446%0.455CS..  trans-88.6143.8-174.6-69.3175.1-167.7-171.910.6113.1C244 L245 D246 G252 V255C244-R249 PolarHBondContact O-NE 2.96Å; C244-R249 PolarHBondContact O-NH2 3.38Å; C244-R249 VanDerWaalsContact O-NH2 3.09Å; C244-R249 VanDerWaalsContact SG-CG 3.58Å; L245-R249 WeakPolarHBondContact O-CG 3.49Å; D246-R249 IonicContact OD1-CZ 3.84Å; D246-R249 IonicContact OD1-NH1 3.45Å; R249-G252 PolarHBondContact NH1-O 3.18Å; R249-V255 PolarHBondContact NH1-O 3.06Å; R249-V255 PolarHBondContact NH2-O 3.34Å
250S79.1Confident87.5Confident101 Ų10171.3 Ų71.371%0.70643%0.43SS*.SBendtrans-85.2-29.316655.40000112.8
251S82Confident87.8Confident81 Ų8168.3 Ų68.357%0.56641%0.414SS*.SBendtrans-147.1154.6-17962.80000111.2
252G81Confident88Confident32 Ų3268.3 Ų68.333%0.3340%0.401SS..  trans73.238.6176.200000114.1R249 G254 V255R249-G252 PolarHBondContact NH1-O 3.18Å; G252-G254 PolarHBondContact O-N 2.86Å; G252-V255 WeakPolarHBondContact O-CB 3.45Å; G252-V255 WeakPolarHBondContact O-CG2 3.14Å; G252-V255 PolarHBondContact O-N 3.47Å; G252-V255 VanDerWaalsContact O-N 3.09Å
253E81.1Confident88.2Confident70 Ų7065.1 Ų65.133%0.32739%0.386SS..THydrogen-bonded Turntrans-56.2125.4168.6-166.7170.1-165.600109.2K142 D246K142-E253 IonicContact NZ-OE1 3.31Å; K142-E253 PolarHBondContact NZ-OE1 2.77Å; D246-E253 HydrophobicContact CB-CG 4.02Å
254G84.2Confident88.3Confident58 Ų5864.1 Ų64.160%0.59838%0.375SS*.THydrogen-bonded Turntrans86.5-0-176.400000115.9D246 G252 G256D246-G254 PolarHBondContact OD1-N 3.21Å; G252-G254 PolarHBondContact O-N 2.86Å; G254-G256 PolarHBondContact O-N 3.23Å
255V87.6Confident88.5Confident75 Ų7563.1 Ų63.146%0.45537%0.369SS..  trans-73.4123.61741770000110R249 G252R249-V255 PolarHBondContact NH1-O 3.06Å; R249-V255 PolarHBondContact NH2-O 3.34Å; G252-V255 WeakPolarHBondContact O-CB 3.45Å; G252-V255 WeakPolarHBondContact O-CG2 3.14Å; G252-V255 PolarHBondContact O-N 3.47Å; G252-V255 VanDerWaalsContact O-N 3.09Å
256G90.7Very high88.8Confident52 Ų5261.9 Ų61.954%0.53636%0.36SS..  trans-99.5175.4175.600000113.2G254G254-G256 PolarHBondContact O-N 3.23Å
257C92.1Very high89.3Confident73 Ų7358.9 Ų58.949%0.49335%0.345SS..  trans-64.4133.6166.8-59.80000109.7T234T234-C257 VanDerWaalsContact C-SG 3.5Å
258Q92.4Very high90Very high97 Ų9757.1 Ų57.145%0.45334%0.336SS..  trans-108.8121.8171.8-172.9179.421.700108.9Y260Q258-Y260 HydrophobicContact CB-CE2 4.18Å; Q258-Y260 HydrophobicContact CG-CD2 4.31Å; Q258-Y260 HydrophobicContact CG-CE2 3.74Å; Q258-Y260 PolarHBondContact OE1-OH 2.8Å; Q258-Y260 VanDerWaalsContact OE1-OH 3.08Å
259E94.6Very high90.3Very high140 Ų14060.1 Ų60.165%0.65435%0.347SS*.  trans-77.9135.4177.3-169.8-177134.900110.7L291 Q510E259-L291 VanDerWaalsContact O-CD2 3.26Å; E259-L291 WeakPolarHBondContact O-CD2 3.36Å; E259-Q510 PolarHBondContact OE1-NE2 2.86Å
260Y95.8Very high90.5Very high79 Ų7963.8 Ų63.831%0.3138%0.377SS..  trans-124.5145.5170.5-77.4-102000108.8Q258 A289 L291Q258-Y260 HydrophobicContact CB-CE2 4.18Å; Q258-Y260 HydrophobicContact CG-CD2 4.31Å; Q258-Y260 HydrophobicContact CG-CE2 3.74Å; Q258-Y260 PolarHBondContact OE1-OH 2.8Å; Q258-Y260 VanDerWaalsContact OE1-OH 3.08Å; Y260-A289 HydrophobicContact CD1-CB 3.78Å; Y260-A289 HydrophobicContact CG-CB 4.17Å; Y260-L291 HydrophobicContact CD1-CD2 3.71Å; Y260-L291 HydrophobicContact CD1-CG 3.86Å; Y260-L291 HydrophobicContact CD2-CD2 4.26Å; Y260-L291 HydrophobicContact CE1-CD1 4.08Å; Y260-L291 HydrophobicContact CE1-CD2 3.71Å; Y260-L291 HydrophobicContact CE1-CG 3.57Å; Y260-L291 HydrophobicContact CE2-CD2 4.24Å; Y260-L291 HydrophobicContact CG-CD2 4Å
261T95.9Very high90.6Very high11 Ų1160 Ų607%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-78.4120.8163.6-55.10000108.2V263 T290 P293 Q510T261-V263 HydrophobicContact CG2-CG2 4.49Å; T261-T290 PolarHBondContact N-O 3.4Å; T261-T290 PolarHBondContact O-N 3.46Å; T261-P293 HydrophobicContact CG2-CB 4.2Å; T261-Q510 HydrophobicContact CG2-CG 4.4Å; T261-Q510 WeakPolarHBondContact OG1-CG 3.5Å; T261-Q510 PolarHBondContact OG1-NE2 3.42Å
262L96.6Very high90.4Very high55 Ų5558.2 Ų58.229%0.28834%0.335SS..EExtended strand (participates in β ladder)trans-93.2109.4176.8-166.668.8000109.8V287 F322 M332 F337 T384L262-V287 HydrophobicContact CD1-CB 3.92Å; L262-V287 HydrophobicContact CD1-CG2 4.4Å; L262-V287 HydrophobicContact CD2-CB 4.12Å; L262-V287 HydrophobicContact CD2-CG1 4.41Å; L262-V287 HydrophobicContact CG-CB 3.98Å; L262-F322 HydrophobicContact CD2-CE2 4.25Å; L262-M332 HydrophobicContact CD2-SD 3.96Å; L262-F337 HydrophobicContact CD2-CE1 4.07Å; L262-F337 HydrophobicContact CD2-CZ 4.34Å; L262-T384 HydrophobicContact CD1-CG2 3.53Å
263V96.3Very high90Very high3 Ų362.4 Ų62.42%0.01836%0.356CS..EExtended strand (participates in β ladder)trans-89.3117.8-177.3-174.30000109.3T261 I265 V287 A288 T290 M296 P363 T388 M513T261-V263 HydrophobicContact CG2-CG2 4.49Å; V263-I265 HydrophobicContact CG1-CG1 4.09Å; V263-I265 PolarHBondContact O-N 2.8Å; V263-V287 WeakPolarHBondContact O-CA 3.4Å; V263-A288 HydrophobicContact CB-CB 4.49Å; V263-A288 PolarHBondContact N-O 3.47Å; V263-A288 PolarHBondContact O-N 2.84Å; V263-T290 HydrophobicContact CG2-CG2 3.74Å; V263-M296 HydrophobicContact CG2-CG 4.39Å; V263-M296 HydrophobicContact CG2-SD 3.86Å; V263-P363 HydrophobicContact CG1-CG 3.35Å; V263-T388 HydrophobicContact CB-CG2 4.48Å; V263-M513 HydrophobicContact CG2-CE 4.27Å
264K96.3Very high89.7Confident42 Ų4265.7 Ų65.718%0.18337%0.369CS..EExtended strand (participates in β ladder)trans-77.5105.7172-73.2179.657.1169.30109.3Y285 V287 D320 F322 N521K264-Y285 HydrophobicContact CB-CD1 3.72Å; K264-Y285 HydrophobicContact CB-CE1 4.22Å; K264-Y285 HydrophobicContact CB-CG 4.15Å; K264-Y285 HydrophobicContact CG-CD1 4.36Å; K264-Y285 HydrophobicContact CG-CG 4.36Å; K264-Y285 PolarHBondContact NZ-OH 3.17Å; K264-V287 HydrophobicContact CG-CG1 4.47Å; K264-D320 IonicContact NZ-OD2 3.41Å; K264-D320 PolarHBondContact NZ-OD2 3.4Å; K264-F322 HydrophobicContact CD-CE1 4.12Å; K264-F322 HydrophobicContact CD-CZ 4.03Å; K264-F322 HydrophobicContact CG-CE1 4.13Å; K264-F322 HydrophobicContact CG-CZ 4.04Å; K264-N521 PolarHBondContact NZ-OD1 3.34Å
265I96.3Very high89.2Confident0 Ų063.6 Ų63.60%034%0.344CS..EExtended strand (participates in β ladder)trans-100.8109.4174.3-54.4170.6000107.8V263 Y285 L286 A288 C302 L360 A362 T388V263-I265 HydrophobicContact CG1-CG1 4.09Å; V263-I265 PolarHBondContact O-N 2.8Å; I265-Y285 CarbonylContact O-C 3.59Å; I265-Y285 VanDerWaalsContact O-CA 3.3Å; I265-Y285 WeakPolarHBondContact O-CA 3.35Å; I265-L286 HydrophobicContact CB-CB 4.35Å; I265-L286 WeakPolarHBondContact CB-O 3.44Å; I265-L286 PolarHBondContact N-O 3.19Å; I265-L286 PolarHBondContact O-N 2.6Å; I265-A288 HydrophobicContact CD1-CB 3.9Å; I265-C302 HydrophobicContact CD1-CB 4.14Å; I265-L360 HydrophobicContact CG2-CB 3.7Å; I265-L360 HydrophobicContact CG2-CD1 3.88Å; I265-L360 HydrophobicContact CG2-CD2 4.32Å; I265-L360 HydrophobicContact CG2-CG 4.17Å; I265-A362 HydrophobicContact CG1-CB 4.49Å; I265-A362 HydrophobicContact CG2-CB 4.12Å; I265-T388 HydrophobicContact CD1-CG2 4.04Å
266E95.8Very high88.8Confident72 Ų7261.7 Ų61.734%0.33634%0.336SS..EExtended strand (participates in β ladder)trans-73.4131.3-172.6-175.2-175.4-177.400111.1Y285 L360 K361E266-Y285 HydrophobicContact CB-CD1 3.93Å; E266-Y285 HydrophobicContact CB-CE1 3.83Å; E266-Y285 HydrophobicContact CG-CD1 4.43Å; E266-Y285 HydrophobicContact CG-CE1 4.07Å; E266-L360 CarbonylContact O-C 3.57Å; E266-L360 VanDerWaalsContact O-CA 3.23Å; E266-L360 WeakPolarHBondContact O-CA 3.39Å; E266-K361 HydrophobicContact CB-CB 4.28Å; E266-K361 PolarHBondContact N-O 3.38Å; E266-K361 PolarHBondContact O-N 3.16Å
267V95.2Very high88.3Confident6 Ų666.5 Ų66.54%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-80.8122.4171.3-177.20000108.4Y271 V284 L286 L358 L360V267-Y271 HydrophobicContact CB-CE1 4.23Å; V267-Y271 HydrophobicContact CG1-CD1 4.04Å; V267-Y271 HydrophobicContact CG1-CE1 4.16Å; V267-Y271 WeakPolarHBondContact O-CE1 3.41Å; V267-V284 HydrophobicContact CB-CB 4.22Å; V267-V284 HydrophobicContact CB-CG1 4.31Å; V267-V284 HydrophobicContact CG2-CB 4.34Å; V267-V284 HydrophobicContact CG2-CG1 3.94Å; V267-V284 PolarHBondContact N-O 3.29Å; V267-L286 HydrophobicContact CG2-CD2 4.5Å; V267-L286 HydrophobicContact CG2-CG 4.11Å; V267-L358 HydrophobicContact CG1-CD1 4.4Å; V267-L358 HydrophobicContact CG1-CD2 4.18Å; V267-L360 HydrophobicContact CB-CD2 4.4Å; V267-L360 HydrophobicContact CG2-CD2 3.9Å
268Q92.6Very high87.8Confident54 Ų5467 Ų6725%0.25235%0.346SS..PPolyproline II helixtrans-73.8141.3179.7-67.3-169.3-18.400111.4R359Q268-R359 HydrophobicContact CB-CB 4.18Å; Q268-R359 PolarHBondContact N-O 3.23Å
269K88.6Confident87.6Confident115 Ų11562.7 Ų62.750%0.533%0.326SS..SBendtrans-70.1152.1170.2-69-178.1-179.5178.30110.4Y271 E281K269-Y271 HydrophobicContact CG-CD1 4.42Å; K269-Y271 HydrophobicContact CG-CE1 3.99Å; K269-Y271 HydrophobicContact CG-CE2 4.35Å; K269-E281 PolarHBondContact NZ-O 3.08Å; K269-E281 IonicContact NZ-OE2 2.84Å; K269-E281 PolarHBondContact NZ-OE2 3.17Å
270P85.6Confident87.1Confident123 Ų12357.7 Ų57.780%0.79931%0.312SS*.SBendcis-76.7140.9-0.931.5-34.2000112.3
271Y82.4Confident86.7Confident22 Ų2261.4 Ų61.49%0.08633%0.332CS..PPolyproline II helixtrans-67.1151.9170.4-55.1-39.3000110.1V267 K269 F279 K282 V284V267-Y271 HydrophobicContact CB-CE1 4.23Å; V267-Y271 HydrophobicContact CG1-CD1 4.04Å; V267-Y271 HydrophobicContact CG1-CE1 4.16Å; V267-Y271 WeakPolarHBondContact O-CE1 3.41Å; K269-Y271 HydrophobicContact CG-CD1 4.42Å; K269-Y271 HydrophobicContact CG-CE1 3.99Å; K269-Y271 HydrophobicContact CG-CE2 4.35Å; Y271-F279 HydrophobicContact CD2-CB 4.16Å; Y271-F279 HydrophobicContact CD2-CD2 4.08Å; Y271-F279 HydrophobicContact CE2-CB 4.12Å; Y271-F279 HydrophobicContact CG-CD2 4.31Å; Y271-K282 PolarHBondContact OH-O 3.21Å; Y271-V284 HydrophobicContact CD2-CG2 4.39Å; Y271-V284 HydrophobicContact CE1-CB 4.02Å; Y271-V284 HydrophobicContact CE1-CG2 3.91Å; Y271-V284 HydrophobicContact CE2-CG2 3.73Å; Y271-V284 VanDerWaalsContact CZ-CG2 3.46Å; Y271-V284 PolarHBondContact OH-N 3.35Å
272S76.3Confident86.5Confident44 Ų4464.5 Ų64.531%0.30835%0.345SS..PPolyproline II helixtrans-52.3138.9175.562.20000110.4K274 H275 A276S272-K274 PolarHBondContact O-N 3.36Å; S272-H275 PolarHBondContact O-N 2.96Å; S272-H275 PolarHBondContact OG-ND1 3.47Å; S272-A276 PolarHBondContact O-N 3.19Å
273P74.3Confident86.4Confident120 Ų12063.7 Ų63.778%0.77934%0.343SS*.Hα-helixtrans-52.2-33.9-176.9-29.334.8000114.1H275P273-H275 PolarHBondContact O-N 3.35Å
274K73.6Confident86.4Confident138 Ų13863.6 Ų63.660%0.634%0.343SS*.Hα-helixtrans-60.1-29.7176.9-172.1178.5174.6-175.60113.7S272 E354S272-K274 PolarHBondContact O-N 3.36Å; K274-E354 IonicContact NZ-OE2 3.62Å; K274-E354 PolarHBondContact NZ-OE2 3.38Å
275H74.4Confident86.4Confident15 Ų1563 Ų637%0.06934%0.339CS..Hα-helixtrans-115.8-16.7-173.1-51.4127.4000113.7S272 P273 N277 L278 F279S272-H275 PolarHBondContact O-N 2.96Å; S272-H275 PolarHBondContact OG-ND1 3.47Å; P273-H275 PolarHBondContact O-N 3.35Å; H275-N277 VanDerWaalsContact C-N 3.27Å; H275-N277 PolarHBondContact O-N 2.86Å; H275-L278 WeakPolarHBondContact O-CB 3.44Å; H275-L278 PolarHBondContact O-N 3.43Å; H275-F279 HydrophobicContact CB-CD2 3.92Å; H275-F279 HydrophobicContact CB-CE2 3.36Å; H275-F279 HydrophobicContact CB-CZ 3.77Å; H275-F279 WeakPolarHBondContact O-CD2 3.32Å; H275-F279 PolarHBondContact O-N 2.86Å; H275-F279 VanDerWaalsContact O-N 3.16Å
276A79.3Confident86.4Confident34 Ų3463 Ų6328%0.28134%0.339SS..Hα-helixtrans-53.3-43.7-178.200000112.4S272 L278 F279 G280S272-A276 PolarHBondContact O-N 3.19Å; A276-L278 VanDerWaalsContact C-N 3.31Å; A276-L278 PolarHBondContact O-N 3.35Å; A276-F279 PolarHBondContact O-N 3.18Å; A276-G280 PolarHBondContact O-N 3.49Å
277N80.9Confident86.5Confident154 Ų15459.5 Ų59.582%0.82432%0.323SS*.Hα-helixtrans-66.7-28.7178-68-13.4000113.6H275H275-N277 VanDerWaalsContact C-N 3.27Å; H275-N277 PolarHBondContact O-N 2.86Å
278L80.9Confident86.6Confident82 Ų8259.2 Ų59.243%0.42932%0.321SS..Hα-helixtrans-79.7-34.1-177.5-62.6172.3000111.6H275 A276 A348H275-L278 WeakPolarHBondContact O-CB 3.44Å; H275-L278 PolarHBondContact O-N 3.43Å; A276-L278 VanDerWaalsContact C-N 3.31Å; A276-L278 PolarHBondContact O-N 3.35Å; L278-A348 HydrophobicContact CD1-CB 3.78Å
279F87.3Confident86.8Confident8 Ų857.4 Ų57.44%0.03532%0.316CS..Hα-helixtrans-90.3-28.6-178.5-52.3-31.4000112.1Y271 H275 A276 K282 V284 A312 V321 L347Y271-F279 HydrophobicContact CD2-CB 4.16Å; Y271-F279 HydrophobicContact CD2-CD2 4.08Å; Y271-F279 HydrophobicContact CE2-CB 4.12Å; Y271-F279 HydrophobicContact CG-CD2 4.31Å; H275-F279 HydrophobicContact CB-CD2 3.92Å; H275-F279 HydrophobicContact CB-CE2 3.36Å; H275-F279 HydrophobicContact CB-CZ 3.77Å; H275-F279 WeakPolarHBondContact O-CD2 3.32Å; H275-F279 PolarHBondContact O-N 2.86Å; H275-F279 VanDerWaalsContact O-N 3.16Å; A276-F279 PolarHBondContact O-N 3.18Å; F279-K282 WeakPolarHBondContact O-CB 3.4Å; F279-K282 WeakPolarHBondContact O-CG 3.31Å; F279-K282 PolarHBondContact O-N 2.88Å; F279-V284 HydrophobicContact CB-CG2 3.76Å; F279-V284 HydrophobicContact CD1-CG2 4.39Å; F279-V284 HydrophobicContact CD2-CG1 4.48Å; F279-V284 HydrophobicContact CD2-CG2 3.48Å; F279-V284 VanDerWaalsContact CD2-CG2 3.48Å; F279-V284 HydrophobicContact CE2-CG1 4.3Å; F279-V284 HydrophobicContact CE2-CG2 4.11Å; F279-V284 HydrophobicContact CG-CG2 3.62Å; F279-A312 HydrophobicContact CE1-CB 3.56Å; F279-A312 HydrophobicContact CZ-CB 3.98Å; F279-V321 HydrophobicContact CD1-CG1 3.9Å; F279-V321 HydrophobicContact CD1-CG2 4.26Å; F279-V321 HydrophobicContact CE1-CG1 3.96Å; F279-L347 HydrophobicContact CD1-CD1 4.21Å
280G85Confident87.1Confident35 Ų3552.6 Ų52.636%0.36130%0.296SS..THydrogen-bonded Turntrans59.3-139.3-17200000110.8A276 K282A276-G280 PolarHBondContact O-N 3.49Å; G280-K282 VanDerWaalsContact C-N 3.28Å; G280-K282 PolarHBondContact O-N 3.37Å
281E87.4Confident87.5Confident156 Ų15648.9 Ų48.973%0.72927%0.269SS*.THydrogen-bonded Turntrans-80-5.6178.8-69.4-55.6140.800114.7K269K269-E281 PolarHBondContact NZ-O 3.08Å; K269-E281 IonicContact NZ-OE2 2.84Å; K269-E281 PolarHBondContact NZ-OE2 3.17Å
282K92.4Very high88Confident77 Ų7749.1 Ų49.134%0.33527%0.27SS..SBendtrans-63142.7-174.2-61.7-178.5-174.866.80111.2Y271 F279 G280 L314 D318 V321Y271-K282 PolarHBondContact OH-O 3.21Å; F279-K282 WeakPolarHBondContact O-CB 3.4Å; F279-K282 WeakPolarHBondContact O-CG 3.31Å; F279-K282 PolarHBondContact O-N 2.88Å; G280-K282 VanDerWaalsContact C-N 3.28Å; G280-K282 PolarHBondContact O-N 3.37Å; K282-L314 HydrophobicContact CD-CD2 3.93Å; K282-D318 WeakPolarHBondContact CD-O 3.44Å; K282-D318 WeakPolarHBondContact CE-O 3.34Å; K282-V321 HydrophobicContact CB-CG2 4.11Å; K282-V321 HydrophobicContact CD-CG2 4.17Å
283P93.8Very high88.8Confident38 Ų3847.1 Ų47.125%0.24726%0.256CS..  trans-66.3134.9170.330.6-36000110.6Y285 D320 V321P283-Y285 HydrophobicContact CB-CE2 3.65Å; P283-Y285 HydrophobicContact CG-CE2 3.86Å; P283-D320 WeakPolarHBondContact CG-OD1 3.37Å; P283-V321 PolarHBondContact O-N 3.3Å
284V95.4Very high89.6Confident1 Ų141.5 Ų41.51%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-110.4130.9-179.8-179.80000108.7V267 Y271 F279 V321 I323V267-V284 HydrophobicContact CB-CB 4.22Å; V267-V284 HydrophobicContact CB-CG1 4.31Å; V267-V284 HydrophobicContact CG2-CB 4.34Å; V267-V284 HydrophobicContact CG2-CG1 3.94Å; V267-V284 PolarHBondContact N-O 3.29Å; Y271-V284 HydrophobicContact CD2-CG2 4.39Å; Y271-V284 HydrophobicContact CE1-CB 4.02Å; Y271-V284 HydrophobicContact CE1-CG2 3.91Å; Y271-V284 HydrophobicContact CE2-CG2 3.73Å; Y271-V284 VanDerWaalsContact CZ-CG2 3.46Å; Y271-V284 PolarHBondContact OH-N 3.35Å; F279-V284 HydrophobicContact CB-CG2 3.76Å; F279-V284 HydrophobicContact CD1-CG2 4.39Å; F279-V284 HydrophobicContact CD2-CG1 4.48Å; F279-V284 HydrophobicContact CD2-CG2 3.48Å; F279-V284 VanDerWaalsContact CD2-CG2 3.48Å; F279-V284 HydrophobicContact CE2-CG1 4.3Å; F279-V284 HydrophobicContact CE2-CG2 4.11Å; F279-V284 HydrophobicContact CG-CG2 3.62Å; V284-V321 CarbonylContact C-O 3.53Å; V284-V321 WeakPolarHBondContact CA-O 3.27Å; V284-V321 HydrophobicContact CB-CB 4.49Å; V284-V321 HydrophobicContact CG1-CG1 4.36Å; V284-V321 HydrophobicContact CG2-CB 4.04Å; V284-V321 HydrophobicContact CG2-CG1 4.41Å; V284-I323 HydrophobicContact CG1-CD1 3.57Å; V284-I323 HydrophobicContact CG1-CG1 4.04Å
285Y96.7Very high90.5Very high28 Ų2835.2 Ų35.211%0.1119%0.192CC..EExtended strand (participates in β ladder)trans-124128.5-178.9-57.1-83.9000111.3K264 I265 E266 P283 V287 D320 V321 F322 I323K264-Y285 HydrophobicContact CB-CD1 3.72Å; K264-Y285 HydrophobicContact CB-CE1 4.22Å; K264-Y285 HydrophobicContact CB-CG 4.15Å; K264-Y285 HydrophobicContact CG-CD1 4.36Å; K264-Y285 HydrophobicContact CG-CG 4.36Å; K264-Y285 PolarHBondContact NZ-OH 3.17Å; I265-Y285 CarbonylContact O-C 3.59Å; I265-Y285 VanDerWaalsContact O-CA 3.3Å; I265-Y285 WeakPolarHBondContact O-CA 3.35Å; E266-Y285 HydrophobicContact CB-CD1 3.93Å; E266-Y285 HydrophobicContact CB-CE1 3.83Å; E266-Y285 HydrophobicContact CG-CD1 4.43Å; E266-Y285 HydrophobicContact CG-CE1 4.07Å; P283-Y285 HydrophobicContact CB-CE2 3.65Å; P283-Y285 HydrophobicContact CG-CE2 3.86Å; Y285-V287 PolarHBondContact O-N 3.3Å; Y285-D320 HydrophobicContact CD2-CB 4.36Å; Y285-D320 HydrophobicContact CE2-CB 4.17Å; Y285-V321 PolarHBondContact N-O 3.15Å; Y285-F322 HydrophobicContact CD2-CD1 4.04Å; Y285-F322 AromaticContact CD2-CE1 3.83Å; Y285-F322 HydrophobicContact CD2-CE1 3.83Å; Y285-F322 HydrophobicContact CG-CD1 4.44Å; Y285-F322 HydrophobicContact CG-CE1 4.27Å; Y285-I323 PolarHBondContact O-N 3.34Å
286L96.9Very high91.4Very high0 Ų034.5 Ų34.50%019%0.189CC..EExtended strand (participates in β ladder)trans-73.9117.1156.2-60.9-173.6000107.1I265 V267 I323 L355 L360 A372 I386I265-L286 HydrophobicContact CB-CB 4.35Å; I265-L286 WeakPolarHBondContact CB-O 3.44Å; I265-L286 PolarHBondContact N-O 3.19Å; I265-L286 PolarHBondContact O-N 2.6Å; V267-L286 HydrophobicContact CG2-CD2 4.5Å; V267-L286 HydrophobicContact CG2-CG 4.11Å; L286-I323 HydrophobicContact CD2-CB 3.66Å; L286-I323 HydrophobicContact CD2-CD1 3.93Å; L286-I323 HydrophobicContact CD2-CG1 4.34Å; L286-I323 HydrophobicContact CD2-CG2 3.51Å; L286-L355 HydrophobicContact CD2-CD1 4.38Å; L286-L360 HydrophobicContact CD1-CD1 3.76Å; L286-L360 HydrophobicContact CD1-CD2 3.72Å; L286-L360 HydrophobicContact CD1-CG 4.4Å; L286-L360 HydrophobicContact CG-CD2 4.14Å; L286-A372 HydrophobicContact CD1-CB 4.26Å; L286-I386 HydrophobicContact CB-CG2 4.2Å
287V97.4Very high91.9Very high0 Ų034.5 Ų34.50%018%0.182CC..EExtended strand (participates in β ladder)trans-99.3110.9-177.1-70.60000110.5L262 V263 K264 Y285 F322 I323 C324 M332 T384L262-V287 HydrophobicContact CD1-CB 3.92Å; L262-V287 HydrophobicContact CD1-CG2 4.4Å; L262-V287 HydrophobicContact CD2-CB 4.12Å; L262-V287 HydrophobicContact CD2-CG1 4.41Å; L262-V287 HydrophobicContact CG-CB 3.98Å; V263-V287 WeakPolarHBondContact O-CA 3.4Å; K264-V287 HydrophobicContact CG-CG1 4.47Å; Y285-V287 PolarHBondContact O-N 3.3Å; V287-F322 HydrophobicContact CB-CD2 4.44Å; V287-F322 HydrophobicContact CG1-CB 4.15Å; V287-F322 HydrophobicContact CG1-CD1 3.69Å; V287-F322 HydrophobicContact CG1-CD2 3.6Å; V287-F322 HydrophobicContact CG1-CE1 3.91Å; V287-F322 HydrophobicContact CG1-CE2 3.81Å; V287-F322 HydrophobicContact CG1-CG 3.53Å; V287-F322 HydrophobicContact CG1-CZ 3.96Å; V287-F322 HydrophobicContact CG2-CB 4.14Å; V287-F322 HydrophobicContact CG2-CD2 4.19Å; V287-F322 HydrophobicContact CG2-CG 4.27Å; V287-I323 WeakPolarHBondContact CG2-O 3.38Å; V287-I323 PolarHBondContact N-O 3.28Å; V287-C324 HydrophobicContact CG2-CB 3.83Å; V287-M332 HydrophobicContact CG2-CE 4.2Å; V287-T384 HydrophobicContact CG2-CG2 4.27Å; V287-T384 WeakPolarHBondContact O-CB 3.2Å; V287-T384 WeakPolarHBondContact O-CG2 3.06Å; V287-T384 PolarHBondContact O-OG1 2.94Å
288A97.5Very high92.3Very high0 Ų027.1 Ų27.10%014%0.143CC..EExtended strand (participates in β ladder)trans-103.5130.6-174.900000111.5V263 I265 I386 T388V263-A288 HydrophobicContact CB-CB 4.49Å; V263-A288 PolarHBondContact N-O 3.47Å; V263-A288 PolarHBondContact O-N 2.84Å; I265-A288 HydrophobicContact CD1-CB 3.9Å; A288-I386 WeakPolarHBondContact CA-O 3.34Å; A288-I386 HydrophobicContact CB-CB 4.37Å; A288-I386 HydrophobicContact CB-CG2 3.85Å; A288-T388 HydrophobicContact CB-CG2 3.7Å
289A97.2Very high92.9Very high16 Ų1623.3 Ų23.313%0.13212%0.122CC..EExtended strand (participates in β ladder)trans-89.9127177.900000110.9Y260 T384Y260-A289 HydrophobicContact CD1-CB 3.78Å; Y260-A289 HydrophobicContact CG-CB 4.17Å; A289-T384 HydrophobicContact CB-CG2 4.34Å
290T95.1Very high93.1Very high14 Ų1422.9 Ų22.99%0.08612%0.121CC..EExtended strand (participates in β ladder)trans-132.4146.9175.2-173.90000112.5T261 V263 R292 M296T261-T290 PolarHBondContact N-O 3.4Å; T261-T290 PolarHBondContact O-N 3.46Å; V263-T290 HydrophobicContact CG2-CG2 3.74Å; T290-R292 PolarHBondContact OG1-N 3.15Å; T290-M296 HydrophobicContact CG2-CE 4.17Å; T290-M296 HydrophobicContact CG2-SD 4.15Å
291L93.3Very high93.6Very high45 Ų4521.3 Ų21.324%0.23610%0.104CC..SBendtrans-95.2-5169.4-65.4175000112.4E259 Y260 P293 K506E259-L291 VanDerWaalsContact O-CD2 3.26Å; E259-L291 WeakPolarHBondContact O-CD2 3.36Å; Y260-L291 HydrophobicContact CD1-CD2 3.71Å; Y260-L291 HydrophobicContact CD1-CG 3.86Å; Y260-L291 HydrophobicContact CD2-CD2 4.26Å; Y260-L291 HydrophobicContact CE1-CD1 4.08Å; Y260-L291 HydrophobicContact CE1-CD2 3.71Å; Y260-L291 HydrophobicContact CE1-CG 3.57Å; Y260-L291 HydrophobicContact CE2-CD2 4.24Å; Y260-L291 HydrophobicContact CG-CD2 4Å; L291-P293 VanDerWaalsContact C-CD 3.47Å; L291-P293 WeakPolarHBondContact O-CD 3.49Å; L291-K506 WeakPolarHBondContact O-CE 3.39Å; L291-K506 PolarHBondContact O-NZ 2.82Å
292R92.7Very high94Very high26 Ų2613.9 Ų13.910%0.0987%0.069CC..  trans-125.665.6-175.9-64.7-177.172.3-169-1.9111.3T290 E294 T295 D393 Y483T290-R292 PolarHBondContact OG1-N 3.15Å; R292-E294 VanDerWaalsContact CA-OE2 3.23Å; R292-E294 WeakPolarHBondContact CA-OE2 3.35Å; R292-E294 WeakPolarHBondContact CB-OE1 3.28Å; R292-E294 WeakPolarHBondContact CG-OE1 3.46Å; R292-E294 IonicContact NE-OE1 3.89Å; R292-E294 PolarHBondContact O-N 3.17Å; R292-E294 VanDerWaalsContact O-N 3.12Å; R292-T295 HydrophobicContact CB-CG2 3.86Å; R292-T295 PolarHBondContact O-N 3.31Å; R292-T295 PolarHBondContact O-OG1 3.47Å; R292-D393 PolarHBondContact NH1-O 3.5Å; R292-D393 IonicContact NH2-OD1 3.54Å; R292-D393 PolarHBondContact NH2-OD1 3.39Å; R292-Y483 HydrophobicContact CG-CD2 4.16Å; R292-Y483 HydrophobicContact CG-CE2 3.51Å
293P93.7Very high94.3Very high2 Ų210.2 Ų10.21%0.0135%0.053CC..G310 helixtrans-54.5-29.5177.823.4-34.2000113.3T261 L291 T295 M296 K506 Q510 M513T261-P293 HydrophobicContact CG2-CB 4.2Å; L291-P293 VanDerWaalsContact C-CD 3.47Å; L291-P293 WeakPolarHBondContact O-CD 3.49Å; P293-T295 PolarHBondContact O-N 2.89Å; P293-T295 VanDerWaalsContact O-N 3.14Å; P293-M296 WeakPolarHBondContact O-CB 3.47Å; P293-M296 VanDerWaalsContact O-CG 3.23Å; P293-M296 WeakPolarHBondContact O-CG 3.39Å; P293-M296 PolarHBondContact O-N 3.27Å; P293-K506 HydrophobicContact CG-CG 4.37Å; P293-Q510 HydrophobicContact CB-CB 4.31Å; P293-Q510 HydrophobicContact CG-CB 3.91Å; P293-Q510 HydrophobicContact CG-CG 4.35Å; P293-M513 HydrophobicContact CB-SD 3.69Å
294E91.2Very high94.4Very high3 Ų38.4 Ų8.41%0.0144%0.042CC..G310 helixtrans-59-23.1175.868.3-82.4-171.500114.1R292 V446 I447 I502 K506 I509R292-E294 VanDerWaalsContact CA-OE2 3.23Å; R292-E294 WeakPolarHBondContact CA-OE2 3.35Å; R292-E294 WeakPolarHBondContact CB-OE1 3.28Å; R292-E294 WeakPolarHBondContact CG-OE1 3.46Å; R292-E294 IonicContact NE-OE1 3.89Å; R292-E294 PolarHBondContact O-N 3.17Å; R292-E294 VanDerWaalsContact O-N 3.12Å; E294-V446 VanDerWaalsContact O-CG1 3.31Å; E294-V446 WeakPolarHBondContact O-CG1 3.49Å; E294-I447 HydrophobicContact CG-CD1 4.04Å; E294-I502 HydrophobicContact CB-CD1 4.32Å; E294-I502 HydrophobicContact CG-CD1 4.11Å; E294-I502 HydrophobicContact CG-CG2 3.78Å; E294-K506 WeakPolarHBondContact OE2-CE 3.44Å; E294-K506 WeakPolarHBondContact OE2-CG 3.32Å; E294-I509 HydrophobicContact CB-CD1 3.87Å
295T92.3Very high94.4Very high6 Ų68.5 Ų8.54%0.0374%0.043CC..G310 helixtrans-85.6-6.7-177.960.80000113.7R292 P293 Y297 G298 V390 D393 I447R292-T295 HydrophobicContact CB-CG2 3.86Å; R292-T295 PolarHBondContact O-N 3.31Å; R292-T295 PolarHBondContact O-OG1 3.47Å; P293-T295 PolarHBondContact O-N 2.89Å; P293-T295 VanDerWaalsContact O-N 3.14Å; T295-Y297 PolarHBondContact O-N 3.2Å; T295-G298 PolarHBondContact O-N 2.99Å; T295-V390 WeakPolarHBondContact O-CG1 3.25Å; T295-D393 HydrophobicContact CG2-CB 4.11Å; T295-I447 HydrophobicContact CG2-CD1 3.82Å
296M92.8Very high94.4Very high0 Ų07.3 Ų7.30%04%0.038CC..G310 helixtrans-66.8-14-169.6-65-59.696.800114.5V263 T290 P293 G298 Q299 M364 T388 V390 M513V263-M296 HydrophobicContact CG2-CG 4.39Å; V263-M296 HydrophobicContact CG2-SD 3.86Å; T290-M296 HydrophobicContact CG2-CE 4.17Å; T290-M296 HydrophobicContact CG2-SD 4.15Å; P293-M296 WeakPolarHBondContact O-CB 3.47Å; P293-M296 VanDerWaalsContact O-CG 3.23Å; P293-M296 WeakPolarHBondContact O-CG 3.39Å; P293-M296 PolarHBondContact O-N 3.27Å; M296-G298 PolarHBondContact O-N 2.89Å; M296-Q299 WeakPolarHBondContact O-CG 3.36Å; M296-Q299 PolarHBondContact O-NE2 3.42Å; M296-Q299 HydrophobicContact SD-CG 4.19Å; M296-M364 HydrophobicContact CB-CB 4.34Å; M296-M364 HydrophobicContact CB-SD 3.94Å; M296-T388 HydrophobicContact CE-CG2 4.41Å; M296-T388 WeakPolarHBondContact CE-OG1 3.44Å; M296-T388 HydrophobicContact SD-CG2 3.8Å; M296-V390 HydrophobicContact CE-CG2 3.77Å; M296-M513 HydrophobicContact CB-CE 4.23Å; M296-M513 HydrophobicContact CG-CE 3.85Å; M296-M513 HydrophobicContact CG-SD 4.33Å
297Y89.5Confident94.3Very high33 Ų3313.5 Ų13.513%0.1297%0.071CC..G310 helixtrans-63.4-28.1169-61.8-79.4000113T295 Q299 M364 V446 L492 V494T295-Y297 PolarHBondContact O-N 3.2Å; Y297-Q299 PolarHBondContact O-N 3.27Å; Y297-M364 HydrophobicContact CD1-CB 4.09Å; Y297-M364 HydrophobicContact CD1-CE 3.94Å; Y297-M364 WeakPolarHBondContact CD1-O 3.35Å; Y297-M364 HydrophobicContact CD2-CE 3.7Å; Y297-M364 HydrophobicContact CE1-CB 4.33Å; Y297-M364 HydrophobicContact CE1-CE 3.44Å; Y297-M364 VanDerWaalsContact CE1-CE 3.44Å; Y297-M364 HydrophobicContact CE2-CE 3.18Å; Y297-M364 HydrophobicContact CG-CE 4.06Å; Y297-M364 VanDerWaalsContact OH-CE 3.32Å; Y297-M364 WeakPolarHBondContact OH-CE 3.42Å; Y297-V446 HydrophobicContact CD2-CG1 4.12Å; Y297-L492 HydrophobicContact CE2-CD2 4.42Å; Y297-V494 HydrophobicContact CD1-CG2 4.17Å; Y297-V494 HydrophobicContact CD2-CG2 3.67Å; Y297-V494 HydrophobicContact CE2-CG2 4.36Å; Y297-V494 HydrophobicContact CG-CB 4.49Å; Y297-V494 HydrophobicContact CG-CG2 3.54Å
298G89.7Confident94.2Very high0 Ų014.5 Ų14.50%08%0.077CC..G310 helixtrans-94.919.8-173.600000114.4T295 M296 T300 V446T295-G298 PolarHBondContact O-N 2.99Å; M296-G298 PolarHBondContact O-N 2.89Å; G298-T300 PolarHBondContact O-N 3.43Å; G298-V446 VanDerWaalsContact N-CG2 3.3Å
299Q93Very high94.2Very high1 Ų119 Ų191%0.00510%0.097CC..  trans-72.5128.7-177-66.7171.289.300111.4M296 Y297 P363 T365 Y367 C389 V390M296-Q299 WeakPolarHBondContact O-CG 3.36Å; M296-Q299 PolarHBondContact O-NE2 3.42Å; M296-Q299 HydrophobicContact SD-CG 4.19Å; Y297-Q299 PolarHBondContact O-N 3.27Å; Q299-P363 PolarHBondContact NE2-O 3.14Å; Q299-T365 HydrophobicContact CB-CG2 4.48Å; Q299-T365 PolarHBondContact O-OG1 3.07Å; Q299-Y367 WeakPolarHBondContact O-CD2 3.48Å; Q299-C389 VanDerWaalsContact CA-O 3.28Å; Q299-C389 WeakPolarHBondContact CA-O 3.38Å; Q299-V390 HydrophobicContact CG-CG2 4.2Å
300T93.1Very high94.2Very high0 Ų018.2 Ų18.20%09%0.091CC..  trans-108.8-31.6177.449.80000112.9G298 Y367 V370 C389 P391 F424 L444G298-T300 PolarHBondContact O-N 3.43Å; T300-Y367 HydrophobicContact CG2-CE2 4.09Å; T300-V370 WeakPolarHBondContact O-CG1 3.39Å; T300-C389 PolarHBondContact N-O 2.96Å; T300-C389 PolarHBondContact OG1-O 3.17Å; T300-C389 PolarHBondContact OG1-SG 2.82Å; T300-P391 HydrophobicContact CG2-CG 3.63Å; T300-P391 VanDerWaalsContact OG1-CD 3.26Å; T300-P391 WeakPolarHBondContact OG1-CD 3.17Å; T300-P391 WeakPolarHBondContact OG1-CG 3.37Å; T300-F424 HydrophobicContact CG2-CB 4.49Å; T300-F424 WeakPolarHBondContact O-CD1 3.49Å; T300-L444 HydrophobicContact CG2-CD1 3.52Å; T300-L444 HydrophobicContact CG2-CD2 4.38Å
301N94.6Very high94.3Very high2 Ų217.7 Ų17.71%0.0119%0.088CC..EExtended strand (participates in β ladder)trans-159.5-178.7179.164.5-88.9000110.7W303 Y371 L373 C389N301-W303 VanDerWaalsContact ND2-CD2 3.34Å; N301-W303 VanDerWaalsContact ND2-CE3 3.27Å; N301-W303 WeakPolarHBondContact ND2-CH2 3.38Å; N301-W303 WeakPolarHBondContact ND2-CZ2 3.28Å; N301-W303 VanDerWaalsContact ND2-CZ3 3.31Å; N301-W303 WeakPolarHBondContact ND2-CZ3 3.34Å; N301-Y371 WeakPolarHBondContact CA-O 3.22Å; N301-Y371 VanDerWaalsContact CB-O 3.32Å; N301-Y371 WeakPolarHBondContact CB-O 3.38Å; N301-L373 HydrophobicContact CB-CD1 3.65Å; N301-L373 HydrophobicContact CB-CG 3.92Å; N301-C389 HydrophobicContact CB-CB 4.38Å; N301-C389 VanDerWaalsContact CG-CB 3.41Å; N301-C389 WeakPolarHBondContact ND2-CB 3.33Å; N301-C389 WeakPolarHBondContact O-CB 3.3Å; N301-C389 PolarHBondContact O-N 3.01Å; N301-C389 VanDerWaalsContact O-N 3.07Å; N301-C389 WeakPolarHBondContact OD1-CB 3.49Å; N301-C389 PolarHBondContact OD1-SG 3.27Å
302C96.3Very high94.5Very high0 Ų015.6 Ų15.60%08%0.077CC..EExtended strand (participates in β ladder)trans-117.4134.2172.4-178.20000108.8I265 L360 Y371 A372 L373 I386I265-C302 HydrophobicContact CD1-CB 4.14Å; C302-L360 HydrophobicContact CB-CD1 3.43Å; C302-L360 VanDerWaalsContact CB-CD1 3.43Å; C302-Y371 PolarHBondContact N-O 3.46Å; C302-A372 CarbonylContact O-C 3.55Å; C302-A372 WeakPolarHBondContact O-CA 3.4Å; C302-L373 PolarHBondContact O-N 3.43Å; C302-I386 WeakPolarHBondContact SG-CG2 3.36Å
303W97.6Very high94.7Very high0 Ų014.3 Ų14.30%07%0.072CC..EExtended strand (participates in β ladder)trans-93.5131.7178.9-64.9130.2000111.7N301 L373 P374 M375 V378 V387 C389 D397 A400 L401 L404N301-W303 VanDerWaalsContact ND2-CD2 3.34Å; N301-W303 VanDerWaalsContact ND2-CE3 3.27Å; N301-W303 WeakPolarHBondContact ND2-CH2 3.38Å; N301-W303 WeakPolarHBondContact ND2-CZ2 3.28Å; N301-W303 VanDerWaalsContact ND2-CZ3 3.31Å; N301-W303 WeakPolarHBondContact ND2-CZ3 3.34Å; W303-L373 WeakPolarHBondContact CA-O 3.29Å; W303-L373 HydrophobicContact CE3-CB 3.85Å; W303-L373 HydrophobicContact CZ3-CB 3.52Å; W303-L373 HydrophobicContact CZ3-CD1 4.35Å; W303-P374 WeakPolarHBondContact CZ3-O 3.46Å; W303-M375 HydrophobicContact CB-CB 3.92Å; W303-M375 HydrophobicContact CB-SD 4.03Å; W303-M375 HydrophobicContact CD2-CB 3.84Å; W303-M375 HydrophobicContact CD2-CG 4.48Å; W303-M375 HydrophobicContact CD2-SD 4.16Å; W303-M375 HydrophobicContact CE3-CB 3.75Å; W303-M375 HydrophobicContact CG-CB 3.94Å; W303-M375 HydrophobicContact CG-CG 4.46Å; W303-M375 HydrophobicContact CG-SD 3.71Å; W303-V378 HydrophobicContact CB-CG2 4.45Å; W303-V387 HydrophobicContact CB-CB 4.07Å; W303-V387 PolarHBondContact N-O 2.91Å; W303-V387 PolarHBondContact O-N 3.21Å; W303-V387 VanDerWaalsContact O-N 3.11Å; W303-C389 HydrophobicContact CD2-CB 4.32Å; W303-C389 VanDerWaalsContact CE2-SG 3.52Å; W303-C389 HydrophobicContact CG-CB 4.42Å; W303-C389 HydrophobicContact CZ2-CB 4.05Å; W303-C389 WeakPolarHBondContact CZ2-SG 3.24Å; W303-C389 VanDerWaalsContact NE1-CB 3.34Å; W303-C389 PolarHBondContact NE1-SG 3.41Å; W303-D397 PolarHBondContact NE1-OD1 3.44Å; W303-A400 HydrophobicContact CH2-CB 3.83Å; W303-A400 HydrophobicContact CZ2-CB 3.7Å; W303-A400 HydrophobicContact CZ3-CB 4.41Å; W303-L401 HydrophobicContact CH2-CB 4.17Å; W303-L401 HydrophobicContact CZ2-CB 4.18Å; W303-L404 HydrophobicContact CH2-CD1 4Å; W303-L404 HydrophobicContact CZ3-CD1 3.68Å
304V96.9Very high94.8Very high0 Ų014.9 Ų14.90%08%0.075CC..EExtended strand (participates in β ladder)trans-126.3134.2174.4-177.20000108.6P306 Y310 L355 L356 A372 L373 P374 M375 I386V304-P306 WeakPolarHBondContact O-CD 3.38Å; V304-Y310 HydrophobicContact CG1-CD2 4.4Å; V304-Y310 HydrophobicContact CG1-CE2 3.55Å; V304-L355 HydrophobicContact CG1-CB 4.27Å; V304-L355 HydrophobicContact CG1-CD1 3.99Å; V304-L355 HydrophobicContact CG2-CB 4.48Å; V304-L356 HydrophobicContact CB-CD2 4.03Å; V304-A372 HydrophobicContact CG2-CB 4.14Å; V304-L373 PolarHBondContact N-O 3.29Å; V304-P374 WeakPolarHBondContact O-CA 3.4Å; V304-M375 PolarHBondContact O-N 3.47Å; V304-I386 HydrophobicContact CG1-CD1 4.4Å; V304-I386 HydrophobicContact CG2-CD1 3.91Å
305G96Very high94.9Very high3 Ų314.7 Ų14.73%0.0317%0.074CC..  trans-76.6113.3172.500000109.8D307 I308 Y310 G352G305-D307 PolarHBondContact O-N 3.44Å; G305-D307 VanDerWaalsContact O-N 3.12Å; G305-I308 PolarHBondContact O-N 2.88Å; G305-I308 VanDerWaalsContact O-N 3.1Å; G305-Y310 PolarHBondContact N-OH 3.15Å; G305-G352 WeakPolarHBondContact O-CA 3.48Å
306P94.9Very high94.9Very high2 Ų217.2 Ų17.21%0.0139%0.088CC..THydrogen-bonded Turntrans-62.2-26.7-170.222.6-33.1000113.9V304 L351 G352 K353 L356 P374 L376 F414V304-P306 WeakPolarHBondContact O-CD 3.38Å; P306-L351 WeakPolarHBondContact O-CG 3.48Å; P306-G352 PolarHBondContact O-N 3.45Å; P306-K353 HydrophobicContact CB-CB 4.43Å; P306-K353 PolarHBondContact O-N 2.89Å; P306-L356 HydrophobicContact CB-CD1 4.36Å; P306-P374 HydrophobicContact CG-CB 4.39Å; P306-L376 HydrophobicContact CG-CD2 3.7Å; P306-F414 HydrophobicContact CB-CD1 4.13Å; P306-F414 HydrophobicContact CB-CE1 3.56Å; P306-F414 HydrophobicContact CB-CZ 4.24Å; P306-F414 HydrophobicContact CG-CE1 3.73Å; P306-F414 HydrophobicContact CG-CZ 3.88Å
307D95.4Very high94.7Very high130 Ų13022.8 Ų22.870%0.69512%0.117SC*.THydrogen-bonded Turntrans-102.17.2-177.6-56.1-49.9000113.3G305G305-D307 PolarHBondContact O-N 3.44Å; G305-D307 VanDerWaalsContact O-N 3.12Å
308I96.2Very high94.8Very high21 Ų2123.1 Ų23.111%0.10812%0.121CC..SBendtrans-89.4139.4178.6-61.2177.6000109.9G305 Y310 T325 G352 V378G305-I308 PolarHBondContact O-N 2.88Å; G305-I308 VanDerWaalsContact O-N 3.1Å; I308-Y310 HydrophobicContact CB-CD2 4.39Å; I308-Y310 HydrophobicContact CB-CE2 3.66Å; I308-Y310 HydrophobicContact CG2-CD2 4.28Å; I308-Y310 HydrophobicContact CG2-CE1 4.28Å; I308-Y310 HydrophobicContact CG2-CE2 3.81Å; I308-Y310 VanDerWaalsContact O-CD2 3.22Å; I308-Y310 WeakPolarHBondContact O-CD2 3.31Å; I308-Y310 WeakPolarHBondContact O-CE2 2.95Å; I308-T325 HydrophobicContact CG2-CG2 3.85Å; I308-G352 PolarHBondContact O-N 3.19Å; I308-V378 HydrophobicContact CD1-CB 4Å; I308-V378 HydrophobicContact CD1-CG1 3.68Å
309E97.1Very high94.9Very high94 Ų9429.8 Ų29.844%0.43915%0.15SC..EExtended strand (participates in β ladder)trans-77.7129.7169.5-172.4-171.9-140.700110.4P326 K349E309-P326 VanDerWaalsContact O-CD 3.31Å; E309-P326 WeakPolarHBondContact O-CD 3.27Å; E309-K349 IonicContact OE1-NZ 3.54Å
310Y97.2Very high95Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-122.4157.7174.7-63.4-90000110.9V304 G305 I308 C324 T325 K349 F350 L355 G385 I386V304-Y310 HydrophobicContact CG1-CD2 4.4Å; V304-Y310 HydrophobicContact CG1-CE2 3.55Å; G305-Y310 PolarHBondContact N-OH 3.15Å; I308-Y310 HydrophobicContact CB-CD2 4.39Å; I308-Y310 HydrophobicContact CB-CE2 3.66Å; I308-Y310 HydrophobicContact CG2-CD2 4.28Å; I308-Y310 HydrophobicContact CG2-CE1 4.28Å; I308-Y310 HydrophobicContact CG2-CE2 3.81Å; I308-Y310 VanDerWaalsContact O-CD2 3.22Å; I308-Y310 WeakPolarHBondContact O-CD2 3.31Å; I308-Y310 WeakPolarHBondContact O-CE2 2.95Å; Y310-C324 CarbonylContact C-O 3.55Å; Y310-C324 WeakPolarHBondContact CA-O 3.28Å; Y310-T325 HydrophobicContact CD1-CG2 4.22Å; Y310-T325 HydrophobicContact CE1-CG2 4.09Å; Y310-K349 WeakPolarHBondContact O-CA 3.34Å; Y310-F350 HydrophobicContact CG-CE2 4.23Å; Y310-F350 PolarHBondContact N-O 3.31Å; Y310-F350 PolarHBondContact O-N 3.46Å; Y310-L355 HydrophobicContact CD2-CD1 4.03Å; Y310-L355 HydrophobicContact CE2-CD1 4.49Å; Y310-L355 HydrophobicContact CG-CD1 4.11Å; Y310-G385 WeakPolarHBondContact CE1-O 3.44Å; Y310-G385 PolarHBondContact OH-O 3.4Å; Y310-I386 HydrophobicContact CD1-CD1 3.9Å; Y310-I386 HydrophobicContact CD1-CG1 4.37Å; Y310-I386 HydrophobicContact CE1-CD1 3.36Å; Y310-I386 HydrophobicContact CE1-CG1 3.9Å
311V97.1Very high95.1Very high4 Ų430.3 Ų30.32%0.02415%0.153CC..EExtended strand (participates in β ladder)trans-127.4144179.2-67.50000110.2I313 I323 C324 P326 A329 V346 A348 K349V311-I313 HydrophobicContact CB-CG2 4.38Å; V311-I313 HydrophobicContact CG2-CG2 3.99Å; V311-I323 WeakPolarHBondContact O-CA 3.33Å; V311-C324 WeakPolarHBondContact CG2-O 3.09Å; V311-C324 PolarHBondContact N-O 2.92Å; V311-C324 PolarHBondContact O-N 3.36Å; V311-C324 VanDerWaalsContact O-N 3.1Å; V311-P326 HydrophobicContact CG1-CG 3.93Å; V311-A329 HydrophobicContact CG2-CB 3.84Å; V311-V346 HydrophobicContact CB-CG1 4.09Å; V311-V346 HydrophobicContact CB-CG2 4.48Å; V311-V346 HydrophobicContact CG1-CG1 4.04Å; V311-V346 HydrophobicContact CG1-CG2 4.46Å; V311-A348 WeakPolarHBondContact CA-O 3.4Å; V311-K349 HydrophobicContact CG1-CG 4.19Å
312A96.9Very high95.2Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-96.3124.416400000109.4F279 V321 F322 I323 V346 L347 A348 F350F279-A312 HydrophobicContact CE1-CB 3.56Å; F279-A312 HydrophobicContact CZ-CB 3.98Å; A312-V321 HydrophobicContact CB-CG1 3.83Å; A312-F322 CarbonylContact C-O 3.58Å; A312-F322 WeakPolarHBondContact CA-O 3.48Å; A312-I323 HydrophobicContact CB-CG1 4.22Å; A312-V346 CarbonylContact O-C 3.49Å; A312-V346 WeakPolarHBondContact O-CA 3.38Å; A312-L347 HydrophobicContact CB-CB 4.45Å; A312-L347 PolarHBondContact O-N 3.27Å; A312-A348 HydrophobicContact CB-CB 4.19Å; A312-A348 PolarHBondContact N-O 2.95Å; A312-F350 HydrophobicContact CB-CE1 3.91Å; A312-F350 HydrophobicContact CB-CZ 4.27Å
313I96.7Very high95.3Very high0 Ų030.6 Ų30.60%015%0.154CC..EExtended strand (participates in β ladder)trans-124.3148-17860.1161.6000112.2V311 V315 V321 F322 A329 A344 E345 V346V311-I313 HydrophobicContact CB-CG2 4.38Å; V311-I313 HydrophobicContact CG2-CG2 3.99Å; I313-V315 HydrophobicContact CD1-CG1 3.85Å; I313-V315 HydrophobicContact CG1-CG1 4.09Å; I313-V321 WeakPolarHBondContact O-CA 3.31Å; I313-F322 HydrophobicContact CG1-CB 4.06Å; I313-F322 PolarHBondContact N-O 3.48Å; I313-F322 PolarHBondContact O-N 3.29Å; I313-A329 HydrophobicContact CD1-CB 3.83Å; I313-A329 HydrophobicContact CG2-CB 3.94Å; I313-A344 HydrophobicContact CD1-CB 4.49Å; I313-A344 HydrophobicContact CG2-CB 4.12Å; I313-E345 VanDerWaalsContact CA-O 3.28Å; I313-E345 WeakPolarHBondContact CA-O 3.23Å; I313-V346 HydrophobicContact CG2-CG2 4.05Å
314L95.7Very high95.3Very high13 Ų1330.6 Ų30.67%0.06815%0.154CC..EExtended strand (participates in β ladder)trans-78131.9171.2-72.7173.6000111.3K282 D318 V321 E345 L347K282-L314 HydrophobicContact CD-CD2 3.93Å; L314-D318 HydrophobicContact CD1-CB 4.17Å; L314-D318 HydrophobicContact CD2-CB 4.38Å; L314-V321 HydrophobicContact CD2-CG2 4.22Å; L314-E345 HydrophobicContact CD1-CG 4.34Å; L314-E345 PolarHBondContact N-O 3.24Å; L314-L347 HydrophobicContact CD1-CD2 4.03Å; L314-L347 HydrophobicContact CD2-CD1 3.84Å; L314-L347 HydrophobicContact CG-CD1 3.93Å; L314-L347 HydrophobicContact CG-CD2 4.04Å; L314-L347 HydrophobicContact CG-CG 4.08Å
315V94.8Very high95.3Very high0 Ų030.8 Ų30.80%016%0.156CC..EExtended strand (participates in β ladder)trans-137.5172.4177.3-57.20000111.3I313 N317 D318 K319 D320 F322 F337I313-V315 HydrophobicContact CD1-CG1 3.85Å; I313-V315 HydrophobicContact CG1-CG1 4.09Å; V315-N317 PolarHBondContact O-N 3.25Å; V315-D318 PolarHBondContact O-N 3.22Å; V315-K319 PolarHBondContact O-N 2.84Å; V315-D320 HydrophobicContact CG2-CB 3.71Å; V315-D320 PolarHBondContact N-O 3.39Å; V315-D320 PolarHBondContact O-N 2.92Å; V315-F322 HydrophobicContact CB-CD2 4.36Å; V315-F322 HydrophobicContact CG1-CB 4.27Å; V315-F322 HydrophobicContact CG1-CD2 3.91Å; V315-F322 HydrophobicContact CG1-CG 4.12Å; V315-F322 HydrophobicContact CG2-CB 4.37Å; V315-F322 HydrophobicContact CG2-CD1 3.58Å; V315-F322 HydrophobicContact CG2-CD2 3.75Å; V315-F322 HydrophobicContact CG2-CE1 3.67Å; V315-F322 HydrophobicContact CG2-CE2 3.85Å; V315-F322 HydrophobicContact CG2-CG 3.62Å; V315-F322 HydrophobicContact CG2-CZ 3.81Å; V315-F337 CarbonylContact C-O 3.57Å; V315-F337 VanDerWaalsContact CA-O 3.27Å; V315-F337 WeakPolarHBondContact CA-O 3.47Å; V315-F337 HydrophobicContact CB-CB 4.49Å; V315-F337 WeakPolarHBondContact CB-O 3.41Å; V315-F337 HydrophobicContact CG1-CB 4.24Å
316N90.9Very high95.4Very high59 Ų5933.2 Ų33.232%0.31617%0.171SC..THydrogen-bonded Turntrans55.947.7177.2-64-24.8000113K319 D320 F337N316-K319 WeakPolarHBondContact O-CB 3.1Å; N316-K319 VanDerWaalsContact O-CG 3.28Å; N316-K319 WeakPolarHBondContact O-CG 3.36Å; N316-D320 PolarHBondContact ND2-OD2 3.4Å; N316-F337 PolarHBondContact N-O 3.41Å
317N89Confident95.4Very high117 Ų11739.7 Ų39.763%0.62620%0.195SC*.THydrogen-bonded Turntrans57.948.5-173.5-62.7-34.3000113.3V315 K319V315-N317 PolarHBondContact O-N 3.25Å; N317-K319 PolarHBondContact O-N 3.46Å
318D91.3Very high95.5Very high40 Ų4033.8 Ų33.821%0.21416%0.164CC..THydrogen-bonded Turntrans65.117.6176-43.9-29.9000114.2K282 L314 V315 K339K282-D318 WeakPolarHBondContact CD-O 3.44Å; K282-D318 WeakPolarHBondContact CE-O 3.34Å; L314-D318 HydrophobicContact CD1-CB 4.17Å; L314-D318 HydrophobicContact CD2-CB 4.38Å; V315-D318 PolarHBondContact O-N 3.22Å; D318-K339 VanDerWaalsContact OD2-CD 3.23Å; D318-K339 WeakPolarHBondContact OD2-CD 3.1Å; D318-K339 IonicContact OD2-NZ 2.7Å; D318-K339 PolarHBondContact OD2-NZ 2.99Å
319K92.3Very high95.6Very high140 Ų14033 Ų3361%0.60916%0.16SC*.THydrogen-bonded Turntrans-85.1-37.7-179.9-66.7-177.9178.5-173.30113.1V315 N316 N317V315-K319 PolarHBondContact O-N 2.84Å; N316-K319 WeakPolarHBondContact O-CB 3.1Å; N316-K319 VanDerWaalsContact O-CG 3.28Å; N316-K319 WeakPolarHBondContact O-CG 3.36Å; N317-K319 PolarHBondContact O-N 3.46Å
320D94.4Very high95.5Very high11 Ų1135.2 Ų35.26%0.05917%0.165CC..EExtended strand (participates in β ladder)trans-116.5152.1-174.7-69.5-8.9000110.5K264 P283 Y285 V315 N316 F322K264-D320 IonicContact NZ-OD2 3.41Å; K264-D320 PolarHBondContact NZ-OD2 3.4Å; P283-D320 WeakPolarHBondContact CG-OD1 3.37Å; Y285-D320 HydrophobicContact CD2-CB 4.36Å; Y285-D320 HydrophobicContact CE2-CB 4.17Å; V315-D320 HydrophobicContact CG2-CB 3.71Å; V315-D320 PolarHBondContact N-O 3.39Å; V315-D320 PolarHBondContact O-N 2.92Å; N316-D320 PolarHBondContact ND2-OD2 3.4Å; D320-F322 HydrophobicContact CB-CE1 4.26Å
321V96.2Very high95.5Very high0 Ų038.9 Ų38.90%019%0.185CC..EExtended strand (participates in β ladder)trans-110.4122170.2-1800000109.6F279 K282 P283 V284 Y285 A312 I313 L314 L347F279-V321 HydrophobicContact CD1-CG1 3.9Å; F279-V321 HydrophobicContact CD1-CG2 4.26Å; F279-V321 HydrophobicContact CE1-CG1 3.96Å; K282-V321 HydrophobicContact CB-CG2 4.11Å; K282-V321 HydrophobicContact CD-CG2 4.17Å; P283-V321 PolarHBondContact O-N 3.3Å; V284-V321 CarbonylContact C-O 3.53Å; V284-V321 WeakPolarHBondContact CA-O 3.27Å; V284-V321 HydrophobicContact CB-CB 4.49Å; V284-V321 HydrophobicContact CG1-CG1 4.36Å; V284-V321 HydrophobicContact CG2-CB 4.04Å; V284-V321 HydrophobicContact CG2-CG1 4.41Å; Y285-V321 PolarHBondContact N-O 3.15Å; A312-V321 HydrophobicContact CB-CG1 3.83Å; I313-V321 WeakPolarHBondContact O-CA 3.31Å; L314-V321 HydrophobicContact CD2-CG2 4.22Å; V321-L347 HydrophobicContact CG1-CD1 4.25Å; V321-L347 HydrophobicContact CG2-CD1 3.84Å
322F97.3Very high95.5Very high5 Ų539.1 Ų39.12%0.02219%0.185CC..EExtended strand (participates in β ladder)trans-104.1136.4174.5-78.36.3000111.4L262 K264 Y285 V287 A312 I313 V315 D320 M332 F337L262-F322 HydrophobicContact CD2-CE2 4.25Å; K264-F322 HydrophobicContact CD-CE1 4.12Å; K264-F322 HydrophobicContact CD-CZ 4.03Å; K264-F322 HydrophobicContact CG-CE1 4.13Å; K264-F322 HydrophobicContact CG-CZ 4.04Å; Y285-F322 HydrophobicContact CD2-CD1 4.04Å; Y285-F322 AromaticContact CD2-CE1 3.83Å; Y285-F322 HydrophobicContact CD2-CE1 3.83Å; Y285-F322 HydrophobicContact CG-CD1 4.44Å; Y285-F322 HydrophobicContact CG-CE1 4.27Å; V287-F322 HydrophobicContact CB-CD2 4.44Å; V287-F322 HydrophobicContact CG1-CB 4.15Å; V287-F322 HydrophobicContact CG1-CD1 3.69Å; V287-F322 HydrophobicContact CG1-CD2 3.6Å; V287-F322 HydrophobicContact CG1-CE1 3.91Å; V287-F322 HydrophobicContact CG1-CE2 3.81Å; V287-F322 HydrophobicContact CG1-CG 3.53Å; V287-F322 HydrophobicContact CG1-CZ 3.96Å; V287-F322 HydrophobicContact CG2-CB 4.14Å; V287-F322 HydrophobicContact CG2-CD2 4.19Å; V287-F322 HydrophobicContact CG2-CG 4.27Å; A312-F322 CarbonylContact C-O 3.58Å; A312-F322 WeakPolarHBondContact CA-O 3.48Å; I313-F322 HydrophobicContact CG1-CB 4.06Å; I313-F322 PolarHBondContact N-O 3.48Å; I313-F322 PolarHBondContact O-N 3.29Å; V315-F322 HydrophobicContact CB-CD2 4.36Å; V315-F322 HydrophobicContact CG1-CB 4.27Å; V315-F322 HydrophobicContact CG1-CD2 3.91Å; V315-F322 HydrophobicContact CG1-CG 4.12Å; V315-F322 HydrophobicContact CG2-CB 4.37Å; V315-F322 HydrophobicContact CG2-CD1 3.58Å; V315-F322 HydrophobicContact CG2-CD2 3.75Å; V315-F322 HydrophobicContact CG2-CE1 3.67Å; V315-F322 HydrophobicContact CG2-CE2 3.85Å; V315-F322 HydrophobicContact CG2-CG 3.62Å; V315-F322 HydrophobicContact CG2-CZ 3.81Å; D320-F322 HydrophobicContact CB-CE1 4.26Å; F322-M332 HydrophobicContact CD2-SD 3.94Å; F322-M332 HydrophobicContact CE2-SD 4.43Å; F322-F337 HydrophobicContact CD2-CD1 4.48Å; F322-F337 AromaticContact CE2-CD1 3.84Å; F322-F337 HydrophobicContact CE2-CD1 3.84Å; F322-F337 AromaticContact CE2-CE1 3.98Å; F322-F337 HydrophobicContact CE2-CE1 3.98Å
323I97.2Very high95.5Very high4 Ų439.1 Ų39.12%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-107.9119.7174.8-64.8-178.4000109.7V284 Y285 L286 V287 V311 A312 F350 L355V284-I323 HydrophobicContact CG1-CD1 3.57Å; V284-I323 HydrophobicContact CG1-CG1 4.04Å; Y285-I323 PolarHBondContact O-N 3.34Å; L286-I323 HydrophobicContact CD2-CB 3.66Å; L286-I323 HydrophobicContact CD2-CD1 3.93Å; L286-I323 HydrophobicContact CD2-CG1 4.34Å; L286-I323 HydrophobicContact CD2-CG2 3.51Å; V287-I323 WeakPolarHBondContact CG2-O 3.38Å; V287-I323 PolarHBondContact N-O 3.28Å; V311-I323 WeakPolarHBondContact O-CA 3.33Å; A312-I323 HydrophobicContact CB-CG1 4.22Å; I323-F350 HydrophobicContact CB-CZ 4.13Å; I323-F350 HydrophobicContact CD1-CZ 3.86Å; I323-F350 HydrophobicContact CG1-CZ 3.81Å; I323-F350 HydrophobicContact CG2-CE2 3.43Å; I323-F350 VanDerWaalsContact CG2-CE2 3.43Å; I323-F350 HydrophobicContact CG2-CZ 3.43Å; I323-F350 VanDerWaalsContact CG2-CZ 3.43Å; I323-L355 HydrophobicContact CD1-CD2 4.33Å; I323-L355 HydrophobicContact CG2-CD1 3.94Å
324C97.8Very high95.5Very high0 Ų042.4 Ų42.40%020%0.2CC..EExtended strand (participates in β ladder)trans-159.5178.8-177.763.60000111.6V287 Y310 V311 A328 M332 T384V287-C324 HydrophobicContact CG2-CB 3.83Å; Y310-C324 CarbonylContact C-O 3.55Å; Y310-C324 WeakPolarHBondContact CA-O 3.28Å; V311-C324 WeakPolarHBondContact CG2-O 3.09Å; V311-C324 PolarHBondContact N-O 2.92Å; V311-C324 PolarHBondContact O-N 3.36Å; V311-C324 VanDerWaalsContact O-N 3.1Å; C324-A328 HydrophobicContact CB-CB 3.94Å; C324-M332 HydrophobicContact CB-CE 3.95Å; C324-M332 WeakPolarHBondContact SG-CE 3.43Å; C324-T384 HydrophobicContact CB-CG2 4.35Å
325T97.9Very high95.5Very high4 Ų446.1 Ų46.13%0.02522%0.217CC..  trans-69.9155.617265.90000112.5I308 Y310 R327 A328 A329 T384I308-T325 HydrophobicContact CG2-CG2 3.85Å; Y310-T325 HydrophobicContact CD1-CG2 4.22Å; Y310-T325 HydrophobicContact CE1-CG2 4.09Å; T325-R327 PolarHBondContact O-N 3.21Å; T325-R327 VanDerWaalsContact O-N 3.16Å; T325-A328 WeakPolarHBondContact O-CB 3.49Å; T325-A328 PolarHBondContact O-N 3.01Å; T325-A328 PolarHBondContact OG1-N 3.5Å; T325-A329 PolarHBondContact O-N 3.18Å; T325-T384 VanDerWaalsContact CG2-O 3.3Å; T325-T384 WeakPolarHBondContact CG2-O 3.41Å; T325-T384 PolarHBondContact N-O 2.91Å
326P97Very high95.4Very high54 Ų5448.2 Ų48.235%0.35124%0.238SC..Hα-helixtrans-53.3-35.7174.4-26.731.5000114.1E309 V311 R330E309-P326 VanDerWaalsContact O-CD 3.31Å; E309-P326 WeakPolarHBondContact O-CD 3.27Å; V311-P326 HydrophobicContact CG1-CG 3.93Å; P326-R330 PolarHBondContact O-N 3.12Å
327R96Very high95.6Very high138 Ų13848.1 Ų48.152%0.52124%0.235SC..Hα-helixtrans-66.3-42.4176.7179.6177.9168-158-16.8111.8T325 R330 N331 D381T325-R327 PolarHBondContact O-N 3.21Å; T325-R327 VanDerWaalsContact O-N 3.16Å; R327-R330 PolarHBondContact O-N 3.24Å; R327-N331 PolarHBondContact O-N 3.42Å; R327-D381 VanDerWaalsContact CZ-O 3.29Å; R327-D381 PolarHBondContact NH1-O 3.45Å
328A97.4Very high95.9Very high5 Ų543.1 Ų43.14%0.04121%0.209CC..Hα-helixtrans-66.6-41.9178.200000111.6C324 T325 R330 N331 M332 T384C324-A328 HydrophobicContact CB-CB 3.94Å; T325-A328 WeakPolarHBondContact O-CB 3.49Å; T325-A328 PolarHBondContact O-N 3.01Å; T325-A328 PolarHBondContact OG1-N 3.5Å; A328-R330 VanDerWaalsContact C-N 3.31Å; A328-R330 PolarHBondContact O-N 3.35Å; A328-N331 PolarHBondContact O-N 3.44Å; A328-M332 HydrophobicContact CB-CE 4.04Å; A328-M332 PolarHBondContact O-N 2.65Å; A328-T384 HydrophobicContact CB-CG2 4.04Å
329A97.2Very high96Very high4 Ų447.5 Ų47.53%0.03323%0.226CC..Hα-helixtrans-55.5-45.7172.100000111.9V311 I313 T325 M332 A333 A344V311-A329 HydrophobicContact CG2-CB 3.84Å; I313-A329 HydrophobicContact CD1-CB 3.83Å; I313-A329 HydrophobicContact CG2-CB 3.94Å; T325-A329 PolarHBondContact O-N 3.18Å; A329-M332 PolarHBondContact O-N 3.41Å; A329-A333 WeakPolarHBondContact O-CB 3.42Å; A329-A333 PolarHBondContact O-N 3.2Å; A329-A344 HydrophobicContact CB-CB 4.27Å
330R96.3Very high96Very high142 Ų14248.4 Ų48.454%0.53623%0.226SC..Hα-helixtrans-60.4-46.3175.4-172.2-178.1-174.4-175.94.5112.1P326 R327 A328 M332 A333 F334P326-R330 PolarHBondContact O-N 3.12Å; R327-R330 PolarHBondContact O-N 3.24Å; A328-R330 VanDerWaalsContact C-N 3.31Å; A328-R330 PolarHBondContact O-N 3.35Å; R330-M332 PolarHBondContact O-N 3.02Å; R330-A333 WeakPolarHBondContact O-CB 3.48Å; R330-A333 PolarHBondContact O-N 2.91Å; R330-F334 HydrophobicContact CG-CD2 4.46Å; R330-F334 HydrophobicContact CG-CE2 4.31Å; R330-F334 WeakPolarHBondContact O-CD2 3.44Å; R330-F334 PolarHBondContact O-N 2.81Å
331N96.8Very high95.9Very high77 Ų7753.5 Ų53.541%0.41225%0.253SS..Hα-helixtrans-60.3-46.3177.4-77.4-30.6000111.8R327 A328 A333 F334 Q335R327-N331 PolarHBondContact O-N 3.42Å; A328-N331 PolarHBondContact O-N 3.44Å; N331-A333 VanDerWaalsContact C-N 3.27Å; N331-A333 PolarHBondContact O-N 2.88Å; N331-F334 PolarHBondContact O-N 3.01Å; N331-Q335 VanDerWaalsContact O-CG 3.28Å; N331-Q335 WeakPolarHBondContact O-CG 3.42Å; N331-Q335 PolarHBondContact O-N 3.41Å
332M96.8Very high95.7Very high8 Ų854.9 Ų54.94%0.03927%0.267CS..Hα-helixtrans-61.4-35.8178.3-78.3-173.8-92.100112.2L262 V287 F322 C324 A328 A329 R330 F334 Q335 G336 F337L262-M332 HydrophobicContact CD2-SD 3.96Å; V287-M332 HydrophobicContact CG2-CE 4.2Å; F322-M332 HydrophobicContact CD2-SD 3.94Å; F322-M332 HydrophobicContact CE2-SD 4.43Å; C324-M332 HydrophobicContact CB-CE 3.95Å; C324-M332 WeakPolarHBondContact SG-CE 3.43Å; A328-M332 HydrophobicContact CB-CE 4.04Å; A328-M332 PolarHBondContact O-N 2.65Å; A329-M332 PolarHBondContact O-N 3.41Å; R330-M332 PolarHBondContact O-N 3.02Å; M332-F334 VanDerWaalsContact C-N 3.28Å; M332-F334 PolarHBondContact O-N 3.27Å; M332-Q335 PolarHBondContact O-N 2.73Å; M332-G336 PolarHBondContact O-N 3.21Å; M332-F337 HydrophobicContact CB-CB 3.93Å; M332-F337 HydrophobicContact CB-CD2 4.01Å; M332-F337 HydrophobicContact CB-CG 3.95Å; M332-F337 HydrophobicContact CG-CD1 4.39Å; M332-F337 HydrophobicContact CG-CD2 4.05Å; M332-F337 HydrophobicContact CG-CE2 4.33Å; M332-F337 HydrophobicContact CG-CG 4.08Å; M332-F337 PolarHBondContact O-N 3.17Å; M332-F337 HydrophobicContact SD-CD1 4.16Å; M332-F337 HydrophobicContact SD-CE1 4.39Å; M332-F337 HydrophobicContact SD-CG 4.38Å
333A96.3Very high95.6Very high1 Ų158.9 Ų58.91%0.00829%0.286CS..Hα-helixtrans-62.6-31.9176.700000113.5A329 R330 N331 Q335 T338 G342 A344A329-A333 WeakPolarHBondContact O-CB 3.42Å; A329-A333 PolarHBondContact O-N 3.2Å; R330-A333 WeakPolarHBondContact O-CB 3.48Å; R330-A333 PolarHBondContact O-N 2.91Å; N331-A333 VanDerWaalsContact C-N 3.27Å; N331-A333 PolarHBondContact O-N 2.88Å; A333-Q335 VanDerWaalsContact C-N 3.33Å; A333-T338 WeakPolarHBondContact CA-OG1 3.17Å; A333-T338 HydrophobicContact CB-CG2 4.08Å; A333-G342 PolarHBondContact O-N 2.81Å; A333-A344 HydrophobicContact CB-CB 4.23Å
334F96.4Very high95.4Very high68 Ų6859.8 Ų59.830%0.29829%0.294SS..THydrogen-bonded Turntrans-89.13.8173.9-74.8-82.3000113.5F236 P238 R330 N331 M332 G342F236-F334 AromaticContact CD1-CD1 3.84Å; F236-F334 HydrophobicContact CD1-CD1 3.84Å; F236-F334 AromaticContact CD1-CE1 3.99Å; F236-F334 HydrophobicContact CD1-CE1 3.99Å; F236-F334 AromaticContact CE1-CD1 3.77Å; F236-F334 HydrophobicContact CE1-CD1 3.77Å; F236-F334 AromaticContact CE1-CE1 3.57Å; F236-F334 HydrophobicContact CE1-CE1 3.57Å; P238-F334 HydrophobicContact CB-CE1 4.3Å; P238-F334 HydrophobicContact CB-CE2 3.85Å; P238-F334 HydrophobicContact CB-CZ 3.53Å; P238-F334 HydrophobicContact CG-CD2 4.22Å; P238-F334 HydrophobicContact CG-CE1 4.39Å; P238-F334 HydrophobicContact CG-CE2 3.63Å; P238-F334 HydrophobicContact CG-CZ 3.74Å; R330-F334 HydrophobicContact CG-CD2 4.46Å; R330-F334 HydrophobicContact CG-CE2 4.31Å; R330-F334 WeakPolarHBondContact O-CD2 3.44Å; R330-F334 PolarHBondContact O-N 2.81Å; N331-F334 PolarHBondContact O-N 3.01Å; M332-F334 VanDerWaalsContact C-N 3.28Å; M332-F334 PolarHBondContact O-N 3.27Å; F334-G342 VanDerWaalsContact CZ-CA 3.48Å
335Q95.7Very high95.3Very high92 Ų9263.6 Ų63.643%0.4331%0.312SS..THydrogen-bonded Turntrans-111.45178.7-69.4170.711.700112.1N331 M332 A333 F337N331-Q335 VanDerWaalsContact O-CG 3.28Å; N331-Q335 WeakPolarHBondContact O-CG 3.42Å; N331-Q335 PolarHBondContact O-N 3.41Å; M332-Q335 PolarHBondContact O-N 2.73Å; A333-Q335 VanDerWaalsContact C-N 3.33Å; Q335-F337 HydrophobicContact CB-CD2 3.86Å; Q335-F337 HydrophobicContact CB-CE2 4.01Å
336G93.8Very high95.2Very high43 Ų4366.7 Ų66.744%0.44333%0.33SS..THydrogen-bonded Turntrans79.520.6178.500000115.2M332M332-G336 PolarHBondContact O-N 3.21Å
337F95.1Very high95Very high57 Ų5766.2 Ų66.225%0.2533%0.325CS..  trans-75.7-31.2172.5-78.5-105.1000112.3L262 V315 N316 F322 M332 Q335L262-F337 HydrophobicContact CD2-CE1 4.07Å; L262-F337 HydrophobicContact CD2-CZ 4.34Å; V315-F337 CarbonylContact C-O 3.57Å; V315-F337 VanDerWaalsContact CA-O 3.27Å; V315-F337 WeakPolarHBondContact CA-O 3.47Å; V315-F337 HydrophobicContact CB-CB 4.49Å; V315-F337 WeakPolarHBondContact CB-O 3.41Å; V315-F337 HydrophobicContact CG1-CB 4.24Å; N316-F337 PolarHBondContact N-O 3.41Å; F322-F337 HydrophobicContact CD2-CD1 4.48Å; F322-F337 AromaticContact CE2-CD1 3.84Å; F322-F337 HydrophobicContact CE2-CD1 3.84Å; F322-F337 AromaticContact CE2-CE1 3.98Å; F322-F337 HydrophobicContact CE2-CE1 3.98Å; M332-F337 HydrophobicContact CB-CB 3.93Å; M332-F337 HydrophobicContact CB-CD2 4.01Å; M332-F337 HydrophobicContact CB-CG 3.95Å; M332-F337 HydrophobicContact CG-CD1 4.39Å; M332-F337 HydrophobicContact CG-CD2 4.05Å; M332-F337 HydrophobicContact CG-CE2 4.33Å; M332-F337 HydrophobicContact CG-CG 4.08Å; M332-F337 PolarHBondContact O-N 3.17Å; M332-F337 HydrophobicContact SD-CD1 4.16Å; M332-F337 HydrophobicContact SD-CE1 4.39Å; M332-F337 HydrophobicContact SD-CG 4.38Å; Q335-F337 HydrophobicContact CB-CD2 3.86Å; Q335-F337 HydrophobicContact CB-CE2 4.01Å
338T95.4Very high94.9Very high12 Ų1260.2 Ų60.27%0.07431%0.305CS..SBendtrans-94156.1-178.356.60000110.4A333 R340 H343 A344A333-T338 WeakPolarHBondContact CA-OG1 3.17Å; A333-T338 HydrophobicContact CB-CG2 4.08Å; T338-R340 VanDerWaalsContact C-N 3.26Å; T338-R340 PolarHBondContact O-N 3.13Å; T338-R340 PolarHBondContact OG1-O 3.39Å; T338-H343 VanDerWaalsContact CB-O 3.31Å; T338-H343 WeakPolarHBondContact CB-O 3.43Å; T338-H343 PolarHBondContact OG1-O 3.06Å; T338-A344 HydrophobicContact CG2-CB 4.16Å
339K92.8Very high94.8Very high133 Ų13366.5 Ų66.558%0.57833%0.331SS*.SBendtrans-62-32.4179.1-176.8175.4-174.5175.50113.7D318D318-K339 VanDerWaalsContact OD2-CD 3.23Å; D318-K339 WeakPolarHBondContact OD2-CD 3.1Å; D318-K339 IonicContact OD2-NZ 2.7Å; D318-K339 PolarHBondContact OD2-NZ 2.99Å
340R92.8Very high94.5Very high158 Ų15866.6 Ų66.660%0.59633%0.33SS*.BIsolated β-bridgetrans-116127.5176.7-64.4-175.4-124.4-178.42.2108.7T338 G342 H343T338-R340 VanDerWaalsContact C-N 3.26Å; T338-R340 PolarHBondContact O-N 3.13Å; T338-R340 PolarHBondContact OG1-O 3.39Å; R340-G342 PolarHBondContact O-N 2.64Å; R340-H343 HydrophobicContact CB-CB 4.07Å; R340-H343 PolarHBondContact O-N 2.94Å
341D91Very high94.4Very high118 Ų11862.3 Ų62.363%0.63132%0.318SS*.THydrogen-bonded Turntrans-62.8134-179.4-155.142.6000110.1H343D341-H343 PolarHBondContact O-N 2.88Å
342G93.1Very high94.3Very high29 Ų2958.7 Ų58.730%0.29930%0.299SS..THydrogen-bonded Turntrans72.1-1.5-177.700000116.3A333 F334 R340A333-G342 PolarHBondContact O-N 2.81Å; F334-G342 VanDerWaalsContact CZ-CA 3.48Å; R340-G342 PolarHBondContact O-N 2.64Å
343H94.4Very high94.2Very high89 Ų8964.4 Ų64.441%0.41232%0.323SS..BIsolated β-bridgetrans-120.5114.7179.3178-97.2000112.2T338 R340 D341T338-H343 VanDerWaalsContact CB-O 3.31Å; T338-H343 WeakPolarHBondContact CB-O 3.43Å; T338-H343 PolarHBondContact OG1-O 3.06Å; R340-H343 HydrophobicContact CB-CB 4.07Å; R340-H343 PolarHBondContact O-N 2.94Å; D341-H343 PolarHBondContact O-N 2.88Å
344A94.5Very high94Very high23 Ų2367.9 Ų67.919%0.1934%0.339CS..  trans-99.5116.1171.500000110.4I313 A329 A333 T338 V346I313-A344 HydrophobicContact CD1-CB 4.49Å; I313-A344 HydrophobicContact CG2-CB 4.12Å; A329-A344 HydrophobicContact CB-CB 4.27Å; A333-A344 HydrophobicContact CB-CB 4.23Å; T338-A344 HydrophobicContact CG2-CB 4.16Å; A344-V346 PolarHBondContact O-N 3.41Å
345E94.7Very high93.8Very high81 Ų8164.8 Ų64.838%0.37933%0.326SS..  trans-75.7112.5174.3-173.9172.1151.500109.7I313 L314I313-E345 VanDerWaalsContact CA-O 3.28Å; I313-E345 WeakPolarHBondContact CA-O 3.23Å; L314-E345 HydrophobicContact CD1-CG 4.34Å; L314-E345 PolarHBondContact N-O 3.24Å
346V95.4Very high93.8Very high68 Ų6861.5 Ų61.541%0.41231%0.311SS..EExtended strand (participates in β ladder)trans-91.1115.7-177.8178.70000109.6V311 A312 I313 A344 A348 K349V311-V346 HydrophobicContact CB-CG1 4.09Å; V311-V346 HydrophobicContact CB-CG2 4.48Å; V311-V346 HydrophobicContact CG1-CG1 4.04Å; V311-V346 HydrophobicContact CG1-CG2 4.46Å; A312-V346 CarbonylContact O-C 3.49Å; A312-V346 WeakPolarHBondContact O-CA 3.38Å; I313-V346 HydrophobicContact CG2-CG2 4.05Å; A344-V346 PolarHBondContact O-N 3.41Å; V346-A348 WeakPolarHBondContact CG1-O 3.47Å; V346-K349 HydrophobicContact CG1-CG 4.11Å
347L93.9Very high93.8Very high45 Ų4560.3 Ų60.324%0.23630%0.299CS..EExtended strand (participates in β ladder)trans-82.1-36.8177-61.2178.7000112.4F279 A312 L314 V321F279-L347 HydrophobicContact CD1-CD1 4.21Å; A312-L347 HydrophobicContact CB-CB 4.45Å; A312-L347 PolarHBondContact O-N 3.27Å; L314-L347 HydrophobicContact CD1-CD2 4.03Å; L314-L347 HydrophobicContact CD2-CD1 3.84Å; L314-L347 HydrophobicContact CG-CD1 3.93Å; L314-L347 HydrophobicContact CG-CD2 4.04Å; L314-L347 HydrophobicContact CG-CG 4.08Å; V321-L347 HydrophobicContact CG1-CD1 4.25Å; V321-L347 HydrophobicContact CG2-CD1 3.84Å
348A93.6Very high93.7Very high12 Ų1259.4 Ų59.410%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-153.2152.3-175.200000110.9L278 V311 A312 V346 F350L278-A348 HydrophobicContact CD1-CB 3.78Å; V311-A348 WeakPolarHBondContact CA-O 3.4Å; A312-A348 HydrophobicContact CB-CB 4.19Å; A312-A348 PolarHBondContact N-O 2.95Å; V346-A348 WeakPolarHBondContact CG1-O 3.47Å; A348-F350 HydrophobicContact CB-CD1 4.24Å; A348-F350 HydrophobicContact CB-CE1 4.21Å
349K94.9Very high93.7Very high136 Ų13664.3 Ų64.359%0.59131%0.314SS*.EExtended strand (participates in β ladder)trans-120.2141.1168.2-59.9-170.6171.4-169.20108.9E309 Y310 V311 V346E309-K349 IonicContact OE1-NZ 3.54Å; Y310-K349 WeakPolarHBondContact O-CA 3.34Å; V311-K349 HydrophobicContact CG1-CG 4.19Å; V346-K349 HydrophobicContact CG1-CG 4.11Å
350F91.5Very high93.8Very high6 Ų658 Ų583%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-150.4153.4178.636-93.2000110.8Y310 A312 I323 A348 E354 L355Y310-F350 HydrophobicContact CG-CE2 4.23Å; Y310-F350 PolarHBondContact N-O 3.31Å; Y310-F350 PolarHBondContact O-N 3.46Å; A312-F350 HydrophobicContact CB-CE1 3.91Å; A312-F350 HydrophobicContact CB-CZ 4.27Å; I323-F350 HydrophobicContact CB-CZ 4.13Å; I323-F350 HydrophobicContact CD1-CZ 3.86Å; I323-F350 HydrophobicContact CG1-CZ 3.81Å; I323-F350 HydrophobicContact CG2-CE2 3.43Å; I323-F350 VanDerWaalsContact CG2-CE2 3.43Å; I323-F350 HydrophobicContact CG2-CZ 3.43Å; I323-F350 VanDerWaalsContact CG2-CZ 3.43Å; A348-F350 HydrophobicContact CB-CD1 4.24Å; A348-F350 HydrophobicContact CB-CE1 4.21Å; F350-E354 WeakPolarHBondContact CA-OE1 3.4Å; F350-E354 HydrophobicContact CB-CB 4.24Å; F350-L355 HydrophobicContact CD2-CD1 3.75Å; F350-L355 HydrophobicContact CD2-CD2 3.57Å; F350-L355 HydrophobicContact CD2-CG 3.64Å; F350-L355 HydrophobicContact CE2-CD1 3.51Å; F350-L355 HydrophobicContact CE2-CD2 3.49Å; F350-L355 VanDerWaalsContact CE2-CD2 3.49Å; F350-L355 HydrophobicContact CE2-CG 3.78Å; F350-L355 HydrophobicContact CG-CD2 4.3Å; F350-L355 HydrophobicContact CZ-CD2 4.15Å
351L94.4Very high93.9Very high53 Ų5356 Ų5628%0.27728%0.282SS..EExtended strand (participates in β ladder)trans-81.7146.3168.6-160.574.4000109.1P306 K353 E354P306-L351 WeakPolarHBondContact O-CG 3.48Å; L351-K353 HydrophobicContact CB-CG 4.2Å; L351-K353 HydrophobicContact CD2-CD 3.73Å; L351-K353 HydrophobicContact CD2-CG 3.92Å; L351-K353 HydrophobicContact CG-CG 4.36Å; L351-K353 PolarHBondContact O-N 3.24Å; L351-E354 PolarHBondContact N-OE1 2.93Å; L351-E354 WeakPolarHBondContact O-CB 3.3Å; L351-E354 PolarHBondContact O-N 3.16Å
352G93.8Very high94Very high0 Ų050.9 Ų50.90%026%0.256CS..G310 helixtrans-53.2-31.5-176.800000114.7G305 P306 I308 E354 L355G305-G352 WeakPolarHBondContact O-CA 3.48Å; P306-G352 PolarHBondContact O-N 3.45Å; I308-G352 PolarHBondContact O-N 3.19Å; G352-E354 PolarHBondContact O-N 3.37Å; G352-E354 VanDerWaalsContact O-N 3.14Å; G352-L355 WeakPolarHBondContact O-CB 3.49Å; G352-L355 PolarHBondContact O-N 2.99Å
353K93.9Very high94Very high129 Ų12951.6 Ų51.656%0.56126%0.255SS*.G310 helixtrans-55.4-28173.672.4-178.7175.6-172.50113.9P306 L351 L355P306-K353 HydrophobicContact CB-CB 4.43Å; P306-K353 PolarHBondContact O-N 2.89Å; L351-K353 HydrophobicContact CB-CG 4.2Å; L351-K353 HydrophobicContact CD2-CD 3.73Å; L351-K353 HydrophobicContact CD2-CG 3.92Å; L351-K353 HydrophobicContact CG-CG 4.36Å; L351-K353 PolarHBondContact O-N 3.24Å; K353-L355 VanDerWaalsContact C-N 3.3Å
354E92.5Very high93.7Very high73 Ų7349.5 Ų49.534%0.34125%0.246SC..G310 helixtrans-78.6-14.5179.5-59.3179.2-103.400112.8K274 F350 L351 G352K274-E354 IonicContact NZ-OE2 3.62Å; K274-E354 PolarHBondContact NZ-OE2 3.38Å; F350-E354 WeakPolarHBondContact CA-OE1 3.4Å; F350-E354 HydrophobicContact CB-CB 4.24Å; L351-E354 PolarHBondContact N-OE1 2.93Å; L351-E354 WeakPolarHBondContact O-CB 3.3Å; L351-E354 PolarHBondContact O-N 3.16Å; G352-E354 PolarHBondContact O-N 3.37Å; G352-E354 VanDerWaalsContact O-N 3.14Å
355L93.4Very high93.4Very high3 Ų349.3 Ų49.32%0.01624%0.243CC..G310 helixtrans-93.5-11176.4-58.6176.1000112.9L286 V304 Y310 I323 F350 G352 K353 L358 A372L286-L355 HydrophobicContact CD2-CD1 4.38Å; V304-L355 HydrophobicContact CG1-CB 4.27Å; V304-L355 HydrophobicContact CG1-CD1 3.99Å; V304-L355 HydrophobicContact CG2-CB 4.48Å; Y310-L355 HydrophobicContact CD2-CD1 4.03Å; Y310-L355 HydrophobicContact CE2-CD1 4.49Å; Y310-L355 HydrophobicContact CG-CD1 4.11Å; I323-L355 HydrophobicContact CD1-CD2 4.33Å; I323-L355 HydrophobicContact CG2-CD1 3.94Å; F350-L355 HydrophobicContact CD2-CD1 3.75Å; F350-L355 HydrophobicContact CD2-CD2 3.57Å; F350-L355 HydrophobicContact CD2-CG 3.64Å; F350-L355 HydrophobicContact CE2-CD1 3.51Å; F350-L355 HydrophobicContact CE2-CD2 3.49Å; F350-L355 VanDerWaalsContact CE2-CD2 3.49Å; F350-L355 HydrophobicContact CE2-CG 3.78Å; F350-L355 HydrophobicContact CG-CD2 4.3Å; F350-L355 HydrophobicContact CZ-CD2 4.15Å; G352-L355 WeakPolarHBondContact O-CB 3.49Å; G352-L355 PolarHBondContact O-N 2.99Å; K353-L355 VanDerWaalsContact C-N 3.3Å; L355-L358 HydrophobicContact CB-CD1 4.12Å; L355-L358 HydrophobicContact CD2-CD1 3.91Å; L355-L358 WeakPolarHBondContact O-CB 3.48Å; L355-L358 WeakPolarHBondContact O-CD1 3.35Å; L355-L358 WeakPolarHBondContact O-CG 3.28Å; L355-L358 PolarHBondContact O-N 3.46Å; L355-A372 WeakPolarHBondContact O-CB 3.25Å
356L94.7Very high92.9Very high24 Ų2448.7 Ų48.713%0.12625%0.247CC..THydrogen-bonded Turntrans-67.5141.5-176.2-60.8-175.8000110.8V304 P306 L358 P374 F414 I416V304-L356 HydrophobicContact CB-CD2 4.03Å; P306-L356 HydrophobicContact CB-CD1 4.36Å; L356-L358 VanDerWaalsContact C-N 3.27Å; L356-L358 PolarHBondContact O-N 3.11Å; L356-P374 HydrophobicContact CD1-CB 3.87Å; L356-P374 HydrophobicContact CD1-CG 4.28Å; L356-P374 HydrophobicContact CD2-CB 4.07Å; L356-F414 HydrophobicContact CD1-CB 3.82Å; L356-F414 HydrophobicContact CD1-CD1 3.79Å; L356-F414 HydrophobicContact CD1-CG 4.05Å; L356-I416 HydrophobicContact CB-CD1 3.99Å
357G93.4Very high92.6Very high18 Ų1847 Ų4719%0.18623%0.234CC..THydrogen-bonded Turntrans79.8-1.5-178.600000115.2R359 A372G357-R359 PolarHBondContact O-N 3.28Å; G357-A372 PolarHBondContact N-O 2.94Å
358L94.1Very high92.3Very high37 Ų3751.7 Ų51.719%0.19426%0.259CS..  trans-56.6134.1172.7-72.9175.2000110.6V267 L355 L356 L360 Y371 A372V267-L358 HydrophobicContact CG1-CD1 4.4Å; V267-L358 HydrophobicContact CG1-CD2 4.18Å; L355-L358 HydrophobicContact CB-CD1 4.12Å; L355-L358 HydrophobicContact CD2-CD1 3.91Å; L355-L358 WeakPolarHBondContact O-CB 3.48Å; L355-L358 WeakPolarHBondContact O-CD1 3.35Å; L355-L358 WeakPolarHBondContact O-CG 3.28Å; L355-L358 PolarHBondContact O-N 3.46Å; L356-L358 VanDerWaalsContact C-N 3.27Å; L356-L358 PolarHBondContact O-N 3.11Å; L358-L360 HydrophobicContact CB-CD2 4.19Å; L358-Y371 VanDerWaalsContact O-CA 3.31Å; L358-Y371 WeakPolarHBondContact O-CA 3.43Å; L358-A372 HydrophobicContact CB-CB 4.17Å; L358-A372 PolarHBondContact O-N 3.26Å; L358-A372 VanDerWaalsContact O-N 3.08Å
359R95.2Very high92.2Very high116 Ų11653.1 Ų53.144%0.43826%0.264SS..EExtended strand (participates in β ladder)trans-78.2129.1171.4-69.3172.177.7100.3-11.4109.3Q268 G357 I369 Y371Q268-R359 HydrophobicContact CB-CB 4.18Å; Q268-R359 PolarHBondContact N-O 3.23Å; G357-R359 PolarHBondContact O-N 3.28Å; R359-I369 HydrophobicContact CB-CG2 4.14Å; R359-I369 HydrophobicContact CG-CG2 4.33Å; R359-Y371 HydrophobicContact CB-CE1 4.49Å; R359-Y371 HydrophobicContact CG-CD1 4.1Å; R359-Y371 HydrophobicContact CG-CE1 3.51Å; R359-Y371 PolarHBondContact NH1-OH 2.9Å
360L95.6Very high92.2Very high0 Ų046.7 Ų46.70%024%0.236CC..EExtended strand (participates in β ladder)trans-129.6145.7-170-58.7176.6000111.1I265 E266 V267 L286 C302 L358 I369 V370 A372I265-L360 HydrophobicContact CG2-CB 3.7Å; I265-L360 HydrophobicContact CG2-CD1 3.88Å; I265-L360 HydrophobicContact CG2-CD2 4.32Å; I265-L360 HydrophobicContact CG2-CG 4.17Å; E266-L360 CarbonylContact O-C 3.57Å; E266-L360 VanDerWaalsContact O-CA 3.23Å; E266-L360 WeakPolarHBondContact O-CA 3.39Å; V267-L360 HydrophobicContact CB-CD2 4.4Å; V267-L360 HydrophobicContact CG2-CD2 3.9Å; L286-L360 HydrophobicContact CD1-CD1 3.76Å; L286-L360 HydrophobicContact CD1-CD2 3.72Å; L286-L360 HydrophobicContact CD1-CG 4.4Å; L286-L360 HydrophobicContact CG-CD2 4.14Å; C302-L360 HydrophobicContact CB-CD1 3.43Å; C302-L360 VanDerWaalsContact CB-CD1 3.43Å; L358-L360 HydrophobicContact CB-CD2 4.19Å; L360-I369 WeakPolarHBondContact O-CA 3.48Å; L360-V370 WeakPolarHBondContact CA-O 3.13Å; L360-V370 HydrophobicContact CB-CG2 3.81Å; L360-V370 WeakPolarHBondContact CB-O 3.32Å; L360-V370 PolarHBondContact N-O 3.05Å; L360-V370 PolarHBondContact O-N 2.87Å; L360-A372 HydrophobicContact CD1-CB 4.1Å
361K94.9Very high92.4Very high116 Ų11647.2 Ų47.250%0.50424%0.239SC..EExtended strand (participates in β ladder)trans-109.1108.2166.1-174179.3-178.9-178.70108.6E266E266-K361 HydrophobicContact CB-CB 4.28Å; E266-K361 PolarHBondContact N-O 3.38Å; E266-K361 PolarHBondContact O-N 3.16Å
362A93.2Very high92.5Very high10 Ų1044.7 Ų44.78%0.08323%0.225CC..  trans-94.5143.6178.900000110.6I265 T365 V370I265-A362 HydrophobicContact CG1-CB 4.49Å; I265-A362 HydrophobicContact CG2-CB 4.12Å; A362-T365 HydrophobicContact CB-CG2 3.88Å; A362-T365 WeakPolarHBondContact O-CG2 3.42Å; A362-V370 HydrophobicContact CB-CG2 3.86Å
363P91.8Very high92.7Very high45 Ų4544.8 Ų44.829%0.29223%0.226SC..SBendtrans-69.8147.8178.827.7-33.3000111.2V263 Q299 T365V263-P363 HydrophobicContact CG1-CG 3.35Å; Q299-P363 PolarHBondContact NE2-O 3.14Å; P363-T365 PolarHBondContact O-N 2.86Å
364M88.5Confident92.8Very high44 Ų4438.9 Ų38.922%0.21720%0.2CC..SBendtrans68.8-19.3172.4-54.7174.865.100118.1M296 Y297 I509 M513M296-M364 HydrophobicContact CB-CB 4.34Å; M296-M364 HydrophobicContact CB-SD 3.94Å; Y297-M364 HydrophobicContact CD1-CB 4.09Å; Y297-M364 HydrophobicContact CD1-CE 3.94Å; Y297-M364 WeakPolarHBondContact CD1-O 3.35Å; Y297-M364 HydrophobicContact CD2-CE 3.7Å; Y297-M364 HydrophobicContact CE1-CB 4.33Å; Y297-M364 HydrophobicContact CE1-CE 3.44Å; Y297-M364 VanDerWaalsContact CE1-CE 3.44Å; Y297-M364 HydrophobicContact CE2-CE 3.18Å; Y297-M364 HydrophobicContact CG-CE 4.06Å; Y297-M364 VanDerWaalsContact OH-CE 3.32Å; Y297-M364 WeakPolarHBondContact OH-CE 3.42Å; M364-I509 HydrophobicContact CE-CG2 4.11Å; M364-M513 HydrophobicContact SD-CE 3.78Å; M364-M513 HydrophobicContact SD-CG 3.42Å; M364-M513 WeakPolarHBondContact SD-CG 3.31Å; M364-M513 HydrophobicContact SD-SD 3.53Å
365T87.7Confident92.9Very high19 Ų1936 Ų3612%0.11719%0.187CC..  trans-66.9151.4175.1-178.10000111.8Q299 A362 P363 Y367 V370Q299-T365 HydrophobicContact CB-CG2 4.48Å; Q299-T365 PolarHBondContact O-OG1 3.07Å; A362-T365 HydrophobicContact CB-CG2 3.88Å; A362-T365 WeakPolarHBondContact O-CG2 3.42Å; P363-T365 PolarHBondContact O-N 2.86Å; T365-Y367 VanDerWaalsContact C-N 3.26Å; T365-Y367 WeakPolarHBondContact CG2-O 3.44Å; T365-Y367 PolarHBondContact OG1-N 2.87Å; T365-V370 HydrophobicContact CG2-CG1 4.38Å
366S84.3Confident92.8Very high68 Ų6839.7 Ų39.748%0.47621%0.207SC..SBendtrans-77.3-10.9171.859.70000113.4K443S366-K443 PolarHBondContact OG-O 3.24Å
367Y88.9Confident92.6Very high34 Ų3440.8 Ų40.813%0.13321%0.214CC..  trans-82.8121.6175.5-69.1-71.7000110.4Q299 T300 T365 I369 F424 E425 L444Q299-Y367 WeakPolarHBondContact O-CD2 3.48Å; T300-Y367 HydrophobicContact CG2-CE2 4.09Å; T365-Y367 VanDerWaalsContact C-N 3.26Å; T365-Y367 WeakPolarHBondContact CG2-O 3.44Å; T365-Y367 PolarHBondContact OG1-N 2.87Å; Y367-I369 PolarHBondContact O-N 3.05Å; Y367-F424 AromaticContact CD1-CD1 3.9Å; Y367-F424 HydrophobicContact CD1-CD1 3.9Å; Y367-F424 AromaticContact CD1-CE1 3.8Å; Y367-F424 HydrophobicContact CD1-CE1 3.8Å; Y367-F424 HydrophobicContact CD2-CD1 4.12Å; Y367-F424 HydrophobicContact CD2-CE1 4.43Å; Y367-F424 AromaticContact CE1-CD1 3.82Å; Y367-F424 HydrophobicContact CE1-CD1 3.82Å; Y367-F424 HydrophobicContact CE1-CE1 4.16Å; Y367-F424 HydrophobicContact CE2-CD1 4.03Å; Y367-F424 HydrophobicContact CG-CD1 4.04Å; Y367-F424 AromaticContact CG-CE1 3.95Å; Y367-F424 HydrophobicContact CG-CE1 3.95Å; Y367-F424 AromaticContact CZ-CD1 3.89Å; Y367-E425 PolarHBondContact OH-O 2.72Å; Y367-L444 HydrophobicContact CD2-CD2 4.39Å; Y367-L444 HydrophobicContact CE2-CD1 3.88Å; Y367-L444 HydrophobicContact CE2-CD2 3.82Å; Y367-L444 HydrophobicContact CE2-CG 4.11Å
368D88.2Confident92.5Very high142 Ų14240.9 Ų40.976%0.75921%0.211SC*.SBendtrans-60-32.3176.4-64.5-40.1000112.4
369I92.2Very high92.4Very high42 Ų4244.2 Ų44.222%0.21522%0.224CC..  trans-138.5131.6-178.5-53.8-177.6000108.9R359 L360 Y367 Y371 F424R359-I369 HydrophobicContact CB-CG2 4.14Å; R359-I369 HydrophobicContact CG-CG2 4.33Å; L360-I369 WeakPolarHBondContact O-CA 3.48Å; Y367-I369 PolarHBondContact O-N 3.05Å; I369-Y371 HydrophobicContact CG2-CE2 4.4Å; I369-F424 WeakPolarHBondContact O-CE1 3.46Å; I369-F424 WeakPolarHBondContact O-CZ 3.45Å
370V94.1Very high92.1Very high1 Ų141.9 Ų41.91%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-123.5171.6168.5-58.60000109.3T300 L360 A362 T365 F424T300-V370 WeakPolarHBondContact O-CG1 3.39Å; L360-V370 WeakPolarHBondContact CA-O 3.13Å; L360-V370 HydrophobicContact CB-CG2 3.81Å; L360-V370 WeakPolarHBondContact CB-O 3.32Å; L360-V370 PolarHBondContact N-O 3.05Å; L360-V370 PolarHBondContact O-N 2.87Å; A362-V370 HydrophobicContact CB-CG2 3.86Å; T365-V370 HydrophobicContact CG2-CG1 4.38Å; V370-F424 HydrophobicContact CG1-CE1 4.36Å
371Y96.5Very high91.8Very high18 Ų1846 Ų467%0.07125%0.247CC..EExtended strand (participates in β ladder)trans-124.2154.5-175.3-63.5-89000112.9N301 C302 L358 R359 I369 M420 F424N301-Y371 WeakPolarHBondContact CA-O 3.22Å; N301-Y371 VanDerWaalsContact CB-O 3.32Å; N301-Y371 WeakPolarHBondContact CB-O 3.38Å; C302-Y371 PolarHBondContact N-O 3.46Å; L358-Y371 VanDerWaalsContact O-CA 3.31Å; L358-Y371 WeakPolarHBondContact O-CA 3.43Å; R359-Y371 HydrophobicContact CB-CE1 4.49Å; R359-Y371 HydrophobicContact CG-CD1 4.1Å; R359-Y371 HydrophobicContact CG-CE1 3.51Å; R359-Y371 PolarHBondContact NH1-OH 2.9Å; I369-Y371 HydrophobicContact CG2-CE2 4.4Å; Y371-M420 HydrophobicContact CD1-CB 4.25Å; Y371-M420 HydrophobicContact CD1-CG 3.67Å; Y371-M420 HydrophobicContact CD1-SD 4.31Å; Y371-M420 HydrophobicContact CD2-CB 3.92Å; Y371-M420 HydrophobicContact CD2-CG 4.12Å; Y371-M420 HydrophobicContact CE1-CE 4.49Å; Y371-M420 HydrophobicContact CE1-CG 3.8Å; Y371-M420 HydrophobicContact CE2-CB 4.35Å; Y371-M420 HydrophobicContact CE2-CG 4.26Å; Y371-M420 HydrophobicContact CG-CB 3.87Å; Y371-M420 HydrophobicContact CG-CG 3.83Å; Y371-F424 AromaticContact CD2-CE2 3.55Å; Y371-F424 HydrophobicContact CD2-CE2 3.55Å; Y371-F424 AromaticContact CD2-CZ 3.65Å; Y371-F424 HydrophobicContact CD2-CZ 3.65Å; Y371-F424 AromaticContact CE2-CE2 3.67Å; Y371-F424 HydrophobicContact CE2-CE2 3.67Å; Y371-F424 AromaticContact CE2-CZ 3.64Å; Y371-F424 HydrophobicContact CE2-CZ 3.64Å
372A96.8Very high91.5Very high0 Ų043.4 Ų43.40%024%0.236CC..EExtended strand (participates in β ladder)trans-78.2117.7165.600000110L286 C302 V304 L355 G357 L358 L360L286-A372 HydrophobicContact CD1-CB 4.26Å; C302-A372 CarbonylContact O-C 3.55Å; C302-A372 WeakPolarHBondContact O-CA 3.4Å; V304-A372 HydrophobicContact CG2-CB 4.14Å; L355-A372 WeakPolarHBondContact O-CB 3.25Å; G357-A372 PolarHBondContact N-O 2.94Å; L358-A372 HydrophobicContact CB-CB 4.17Å; L358-A372 PolarHBondContact O-N 3.26Å; L358-A372 VanDerWaalsContact O-N 3.08Å; L360-A372 HydrophobicContact CD1-CB 4.1Å
373L97.1Very high91.5Very high1 Ų144.6 Ų44.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-121154.4-176.4-61.4-173.8000111.3N301 C302 W303 V304 L404 I416 M420 V421N301-L373 HydrophobicContact CB-CD1 3.65Å; N301-L373 HydrophobicContact CB-CG 3.92Å; C302-L373 PolarHBondContact O-N 3.43Å; W303-L373 WeakPolarHBondContact CA-O 3.29Å; W303-L373 HydrophobicContact CE3-CB 3.85Å; W303-L373 HydrophobicContact CZ3-CB 3.52Å; W303-L373 HydrophobicContact CZ3-CD1 4.35Å; V304-L373 PolarHBondContact N-O 3.29Å; L373-L404 HydrophobicContact CB-CD1 4.07Å; L373-L404 HydrophobicContact CD1-CD1 4.11Å; L373-I416 HydrophobicContact CD2-CD1 3.91Å; L373-I416 HydrophobicContact CD2-CG1 4.31Å; L373-I416 HydrophobicContact CD2-CG2 3.76Å; L373-M420 HydrophobicContact CD2-CB 4.25Å; L373-V421 HydrophobicContact CD1-CG2 4.04Å; L373-V421 HydrophobicContact CD2-CG2 4.09Å
374P96.5Very high91.8Very high5 Ų542.7 Ų42.73%0.03224%0.237CC..EExtended strand (participates in β ladder)trans-78136.1-177.930-34000112W303 V304 P306 L356 L404 F414 I416W303-P374 WeakPolarHBondContact CZ3-O 3.46Å; V304-P374 WeakPolarHBondContact O-CA 3.4Å; P306-P374 HydrophobicContact CG-CB 4.39Å; L356-P374 HydrophobicContact CD1-CB 3.87Å; L356-P374 HydrophobicContact CD1-CG 4.28Å; L356-P374 HydrophobicContact CD2-CB 4.07Å; P374-L404 HydrophobicContact CG-CD1 4.43Å; P374-L404 HydrophobicContact CG-CD2 4.09Å; P374-F414 HydrophobicContact CB-CD1 4.39Å; P374-F414 HydrophobicContact CB-CD2 3.91Å; P374-F414 HydrophobicContact CB-CE2 4.16Å; P374-F414 HydrophobicContact CB-CG 4.04Å; P374-F414 HydrophobicContact CG-CB 3.99Å; P374-F414 HydrophobicContact CG-CD2 3.6Å; P374-F414 HydrophobicContact CG-CE2 4.25Å; P374-F414 HydrophobicContact CG-CG 3.85Å; P374-I416 HydrophobicContact CG-CG1 4.43Å
375M94.4Very high92.1Very high12 Ų1240.7 Ų40.76%0.05923%0.227CC..  trans-131.7123.2166.5178.9-176-167.800109.1W303 V304 T377 V378 D396 A400W303-M375 HydrophobicContact CB-CB 3.92Å; W303-M375 HydrophobicContact CB-SD 4.03Å; W303-M375 HydrophobicContact CD2-CB 3.84Å; W303-M375 HydrophobicContact CD2-CG 4.48Å; W303-M375 HydrophobicContact CD2-SD 4.16Å; W303-M375 HydrophobicContact CE3-CB 3.75Å; W303-M375 HydrophobicContact CG-CB 3.94Å; W303-M375 HydrophobicContact CG-CG 4.46Å; W303-M375 HydrophobicContact CG-SD 3.71Å; V304-M375 PolarHBondContact O-N 3.47Å; M375-T377 VanDerWaalsContact C-N 3.32Å; M375-T377 WeakPolarHBondContact CE-OG1 3.08Å; M375-T377 PolarHBondContact O-N 3.39Å; M375-V378 HydrophobicContact CB-CG2 3.69Å; M375-V378 HydrophobicContact CG-CG2 3.81Å; M375-V378 WeakPolarHBondContact O-CG2 3.17Å; M375-V378 HydrophobicContact SD-CG2 3.78Å; M375-D396 HydrophobicContact CE-CB 3.78Å; M375-A400 HydrophobicContact CG-CB 4.31Å
376L90.3Very high92.5Very high82 Ų8239.8 Ų39.843%0.42922%0.222SC..THydrogen-bonded Turntrans-79.6-18-168.7-56.5-177.5000113.1P306 F414P306-L376 HydrophobicContact CG-CD2 3.7Å; L376-F414 HydrophobicContact CD2-CE2 4.11Å; L376-F414 HydrophobicContact CD2-CZ 3.78Å
377T90.1Very high93.1Very high46 Ų4639 Ų3928%0.28221%0.214SC..THydrogen-bonded Turntrans-99.46.9-174.954.20000113.4M375 K379M375-T377 VanDerWaalsContact C-N 3.32Å; M375-T377 WeakPolarHBondContact CE-OG1 3.08Å; M375-T377 PolarHBondContact O-N 3.39Å; T377-K379 PolarHBondContact O-N 2.95Å
378V92.1Very high93.5Very high20 Ų2037.7 Ų37.712%0.12121%0.21CC..  trans-62.8132.5175.3178.50000109.6W303 I308 M375 G385 V387W303-V378 HydrophobicContact CB-CG2 4.45Å; I308-V378 HydrophobicContact CD1-CB 4Å; I308-V378 HydrophobicContact CD1-CG1 3.68Å; M375-V378 HydrophobicContact CB-CG2 3.69Å; M375-V378 HydrophobicContact CG-CG2 3.81Å; M375-V378 WeakPolarHBondContact O-CG2 3.17Å; M375-V378 HydrophobicContact SD-CG2 3.78Å; V378-G385 WeakPolarHBondContact CG1-O 3.36Å; V378-V387 HydrophobicContact CG1-CG2 4.32Å; V378-V387 HydrophobicContact CG2-CG2 4.5Å
379K91.5Very high93.8Very high108 Ų10831 Ų3147%0.4717%0.173SC..  trans-97.7125.8178.6-60.8-175.3176.2-1790110.3T377 D381 K382T377-K379 PolarHBondContact O-N 2.95Å; K379-D381 WeakPolarHBondContact CB-OD1 3.5Å; K379-D381 PolarHBondContact O-N 3.23Å; K379-K382 HydrophobicContact CB-CB 4.38Å; K379-K382 HydrophobicContact CB-CG 4.35Å; K379-K382 HydrophobicContact CD-CD 4.19Å; K379-K382 PolarHBondContact O-N 3.48Å
380S90.5Very high93.9Very high67 Ų6729.1 Ų29.147%0.46916%0.164SC..THydrogen-bonded Turntrans-69.5-17.1179.659.80000113.6
381D89.3Confident93.8Very high85 Ų8529.1 Ų29.146%0.45516%0.164SC..THydrogen-bonded Turntrans-98.42.9-177.479.1-29.5000113.2R327 K379R327-D381 VanDerWaalsContact CZ-O 3.29Å; R327-D381 PolarHBondContact NH1-O 3.45Å; K379-D381 WeakPolarHBondContact CB-OD1 3.5Å; K379-D381 PolarHBondContact O-N 3.23Å
382K88Confident93.6Very high63 Ų6328.3 Ų28.327%0.27416%0.161SC..SBendtrans-119.6135.7175.2-66.4-164.4-178-168.70111.1E129 K379 T384 G385E129-K382 IonicContact OE1-NZ 2.76Å; E129-K382 PolarHBondContact OE1-NZ 3.34Å; K379-K382 HydrophobicContact CB-CB 4.38Å; K379-K382 HydrophobicContact CB-CG 4.35Å; K379-K382 HydrophobicContact CD-CD 4.19Å; K379-K382 PolarHBondContact O-N 3.48Å; K382-T384 PolarHBondContact O-N 2.64Å; K382-G385 PolarHBondContact O-N 3.35Å
383G93.1Very high93.3Very high34 Ų3428.4 Ų28.435%0.35116%0.162SC..THydrogen-bonded Turntrans57.3-125.6-179.700000111.9
384T96.9Very high93.1Very high6 Ų629.3 Ų29.34%0.03717%0.168CC..THydrogen-bonded Turntrans-110.12.2-179.556.50000114.3L262 V287 A289 C324 T325 A328 K382 I386L262-T384 HydrophobicContact CD1-CG2 3.53Å; V287-T384 HydrophobicContact CG2-CG2 4.27Å; V287-T384 WeakPolarHBondContact O-CB 3.2Å; V287-T384 WeakPolarHBondContact O-CG2 3.06Å; V287-T384 PolarHBondContact O-OG1 2.94Å; A289-T384 HydrophobicContact CB-CG2 4.34Å; C324-T384 HydrophobicContact CB-CG2 4.35Å; T325-T384 VanDerWaalsContact CG2-O 3.3Å; T325-T384 WeakPolarHBondContact CG2-O 3.41Å; T325-T384 PolarHBondContact N-O 2.91Å; A328-T384 HydrophobicContact CB-CG2 4.04Å; K382-T384 PolarHBondContact O-N 2.64Å; T384-I386 PolarHBondContact O-N 3.24Å; T384-I386 PolarHBondContact OG1-N 3.36Å; T384-I386 PolarHBondContact OG1-O 3.23Å
385G95.3Very high92.9Very high1 Ų129.1 Ų29.11%0.0117%0.167CC..SBendtrans68.50.9-165.900000114.1Y310 V378 K382Y310-G385 WeakPolarHBondContact CE1-O 3.44Å; Y310-G385 PolarHBondContact OH-O 3.4Å; V378-G385 WeakPolarHBondContact CG1-O 3.36Å; K382-G385 PolarHBondContact O-N 3.35Å
386I96.9Very high92.9Very high1 Ų129.9 Ų29.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-110.3129.6171.2-55.1-65.5000106.9L286 A288 C302 V304 Y310 T384L286-I386 HydrophobicContact CB-CG2 4.2Å; A288-I386 WeakPolarHBondContact CA-O 3.34Å; A288-I386 HydrophobicContact CB-CB 4.37Å; A288-I386 HydrophobicContact CB-CG2 3.85Å; C302-I386 WeakPolarHBondContact SG-CG2 3.36Å; V304-I386 HydrophobicContact CG1-CD1 4.4Å; V304-I386 HydrophobicContact CG2-CD1 3.91Å; Y310-I386 HydrophobicContact CD1-CD1 3.9Å; Y310-I386 HydrophobicContact CD1-CG1 4.37Å; Y310-I386 HydrophobicContact CE1-CD1 3.36Å; Y310-I386 HydrophobicContact CE1-CG1 3.9Å; T384-I386 PolarHBondContact O-N 3.24Å; T384-I386 PolarHBondContact OG1-N 3.36Å; T384-I386 PolarHBondContact OG1-O 3.23Å
387V97Very high93.1Very high51 Ų5126.3 Ų26.331%0.30915%0.153SC..EExtended strand (participates in β ladder)trans-124.1138.6-175.4-172.60000109.5W303 V378W303-V387 HydrophobicContact CB-CB 4.07Å; W303-V387 PolarHBondContact N-O 2.91Å; W303-V387 PolarHBondContact O-N 3.21Å; W303-V387 VanDerWaalsContact O-N 3.11Å; V378-V387 HydrophobicContact CG1-CG2 4.32Å; V378-V387 HydrophobicContact CG2-CG2 4.5Å
388T95.9Very high93.2Very high7 Ų726.7 Ų26.74%0.04315%0.149CC..EExtended strand (participates in β ladder)trans-75.7141.9172.943.20000110.4V263 I265 A288 M296V263-T388 HydrophobicContact CB-CG2 4.48Å; I265-T388 HydrophobicContact CD1-CG2 4.04Å; A288-T388 HydrophobicContact CB-CG2 3.7Å; M296-T388 HydrophobicContact CE-CG2 4.41Å; M296-T388 WeakPolarHBondContact CE-OG1 3.44Å; M296-T388 HydrophobicContact SD-CG2 3.8Å
389C95Very high93.3Very high0 Ų025.8 Ų25.80%014%0.144CC..EExtended strand (participates in β ladder)trans-100.2108.1176.6-178.40000111.1Q299 T300 N301 W303 P391Q299-C389 VanDerWaalsContact CA-O 3.28Å; Q299-C389 WeakPolarHBondContact CA-O 3.38Å; T300-C389 PolarHBondContact N-O 2.96Å; T300-C389 PolarHBondContact OG1-O 3.17Å; T300-C389 PolarHBondContact OG1-SG 2.82Å; N301-C389 HydrophobicContact CB-CB 4.38Å; N301-C389 VanDerWaalsContact CG-CB 3.41Å; N301-C389 WeakPolarHBondContact ND2-CB 3.33Å; N301-C389 WeakPolarHBondContact O-CB 3.3Å; N301-C389 PolarHBondContact O-N 3.01Å; N301-C389 VanDerWaalsContact O-N 3.07Å; N301-C389 WeakPolarHBondContact OD1-CB 3.49Å; N301-C389 PolarHBondContact OD1-SG 3.27Å; W303-C389 HydrophobicContact CD2-CB 4.32Å; W303-C389 VanDerWaalsContact CE2-SG 3.52Å; W303-C389 HydrophobicContact CG-CB 4.42Å; W303-C389 HydrophobicContact CZ2-CB 4.05Å; W303-C389 WeakPolarHBondContact CZ2-SG 3.24Å; W303-C389 VanDerWaalsContact NE1-CB 3.34Å; W303-C389 PolarHBondContact NE1-SG 3.41Å; C389-P391 WeakPolarHBondContact O-CD 3.42Å
390V94.2Very high93.4Very high4 Ų420.6 Ų20.62%0.02412%0.121CC..  trans-11978.6174.4-168.10000109.9T295 M296 Q299 S392 D393 S394 D397T295-V390 WeakPolarHBondContact O-CG1 3.25Å; M296-V390 HydrophobicContact CE-CG2 3.77Å; Q299-V390 HydrophobicContact CG-CG2 4.2Å; V390-S392 PolarHBondContact O-N 2.99Å; V390-S392 VanDerWaalsContact O-N 3.09Å; V390-D393 HydrophobicContact CG1-CB 4.22Å; V390-D393 PolarHBondContact O-N 2.89Å; V390-D393 VanDerWaalsContact O-N 3.11Å; V390-S394 WeakPolarHBondContact O-CB 3.42Å; V390-S394 PolarHBondContact O-N 2.98Å; V390-D397 PolarHBondContact N-OD2 2.88Å
391P92.9Very high93.5Very high0 Ų017.6 Ų17.60%010%0.1CC..THydrogen-bonded Turntrans-70.4-8.7-170.331-37.2000114T300 C389 D397 L401 P426 P458T300-P391 HydrophobicContact CG2-CG 3.63Å; T300-P391 VanDerWaalsContact OG1-CD 3.26Å; T300-P391 WeakPolarHBondContact OG1-CD 3.17Å; T300-P391 WeakPolarHBondContact OG1-CG 3.37Å; C389-P391 WeakPolarHBondContact O-CD 3.42Å; P391-D397 HydrophobicContact CB-CB 4.45Å; P391-L401 HydrophobicContact CB-CD2 3.98Å; P391-L401 HydrophobicContact CG-CD2 3.8Å; P391-P426 HydrophobicContact CB-CG 3.93Å; P391-P426 HydrophobicContact CG-CB 4.33Å; P391-P426 HydrophobicContact CG-CG 3.82Å; P391-P458 WeakPolarHBondContact O-CD 3.41Å
392S91.3Very high93.7Very high1 Ų114.8 Ų14.81%0.0078%0.083CC..THydrogen-bonded Turntrans-71.4-32.5171.255.60000112.8V390 M455 A456 A457V390-S392 PolarHBondContact O-N 2.99Å; V390-S392 VanDerWaalsContact O-N 3.09Å; S392-M455 CarbonylContact O-C 3.57Å; S392-A456 PolarHBondContact O-N 2.89Å; S392-A456 VanDerWaalsContact O-N 3.14Å; S392-A457 WeakPolarHBondContact O-CB 3.3Å; S392-A457 PolarHBondContact O-N 3.48Å
393D91.2Very high93.9Very high2 Ų211.9 Ų11.91%0.0117%0.07CC..THydrogen-bonded Turntrans-128-11.9-163-78.7-89.2000114.3R292 T295 V390 I447R292-D393 PolarHBondContact NH1-O 3.5Å; R292-D393 IonicContact NH2-OD1 3.54Å; R292-D393 PolarHBondContact NH2-OD1 3.39Å; T295-D393 HydrophobicContact CG2-CB 4.11Å; V390-D393 HydrophobicContact CG1-CB 4.22Å; V390-D393 PolarHBondContact O-N 2.89Å; V390-D393 VanDerWaalsContact O-N 3.11Å; D393-I447 WeakPolarHBondContact OD1-CB 3.42Å
394S92.6Very high93.9Very high20 Ų2010.3 Ų10.314%0.145%0.054CC..  trans-118.4117.1-180177.90000110.2V390 D396 D397 Y398 A457V390-S394 WeakPolarHBondContact O-CB 3.42Å; V390-S394 PolarHBondContact O-N 2.98Å; S394-D396 PolarHBondContact O-N 3.09Å; S394-D397 VanDerWaalsContact CB-CG 3.49Å; S394-D397 WeakPolarHBondContact CB-OD2 3.45Å; S394-D397 PolarHBondContact O-N 2.9Å; S394-D397 PolarHBondContact OG-OD2 3.46Å; S394-Y398 PolarHBondContact O-N 3.23Å; S394-Y398 VanDerWaalsContact O-N 3.09Å; S394-A457 VanDerWaalsContact C-CB 3.45Å
395P93.5Very high93.7Very high2 Ų211.8 Ų11.81%0.0136%0.06CC..Hα-helixtrans-68.8-34.6-175.928.8-35.4000112.3D397 Y398 A399 A457 C461 L475 I478 K479P395-D397 VanDerWaalsContact C-N 3.31Å; P395-D397 PolarHBondContact O-N 3.09Å; P395-Y398 PolarHBondContact O-N 3.37Å; P395-A399 WeakPolarHBondContact O-CB 3.48Å; P395-A399 PolarHBondContact O-N 3.05Å; P395-A457 HydrophobicContact CB-CB 4.5Å; P395-C461 VanDerWaalsContact CB-SG 3.56Å; P395-L475 HydrophobicContact CB-CD2 3.88Å; P395-L475 WeakPolarHBondContact O-CD2 3.47Å; P395-I478 HydrophobicContact CB-CB 4.33Å; P395-I478 HydrophobicContact CB-CG2 3.77Å; P395-I478 HydrophobicContact CG-CB 4.35Å; P395-I478 HydrophobicContact CG-CG2 3.96Å; P395-K479 HydrophobicContact CG-CB 3.8Å; P395-K479 HydrophobicContact CG-CG 4.45Å
396D93.4Very high93.6Very high28 Ų2818.4 Ų18.415%0.159%0.088CC..Hα-helixtrans-59-44.9174.3-61.4-63.5000110.8M375 S394 A399 A400 K479M375-D396 HydrophobicContact CE-CB 3.78Å; S394-D396 PolarHBondContact O-N 3.09Å; D396-A399 PolarHBondContact O-N 3.44Å; D396-A400 WeakPolarHBondContact O-CB 3.43Å; D396-A400 PolarHBondContact O-N 3.24Å; D396-K479 WeakPolarHBondContact OD2-CD 3.4Å; D396-K479 WeakPolarHBondContact OD2-CE 3.35Å; D396-K479 IonicContact OD2-NZ 2.81Å; D396-K479 PolarHBondContact OD2-NZ 3.28Å
397D94.1Very high93.3Very high7 Ų722.6 Ų22.64%0.03711%0.106CC..Hα-helixtrans-67.2-45.3-178.4-65.3-16.6000111.6W303 V390 P391 S394 P395 A399 A400 L401W303-D397 PolarHBondContact NE1-OD1 3.44Å; V390-D397 PolarHBondContact N-OD2 2.88Å; P391-D397 HydrophobicContact CB-CB 4.45Å; S394-D397 VanDerWaalsContact CB-CG 3.49Å; S394-D397 WeakPolarHBondContact CB-OD2 3.45Å; S394-D397 PolarHBondContact O-N 2.9Å; S394-D397 PolarHBondContact OG-OD2 3.46Å; P395-D397 VanDerWaalsContact C-N 3.31Å; P395-D397 PolarHBondContact O-N 3.09Å; D397-A399 PolarHBondContact O-N 2.95Å; D397-A400 PolarHBondContact O-N 3.47Å; D397-L401 VanDerWaalsContact O-CB 3.28Å; D397-L401 WeakPolarHBondContact O-CB 3.48Å; D397-L401 PolarHBondContact O-N 2.86Å
398Y93.1Very high93.1Very high54 Ų5425.3 Ų25.321%0.21211%0.114CC..Hα-helixtrans-59.9-46.4175.4174.6-106.7000111.6S394 P395 R402 P458 C461S394-Y398 PolarHBondContact O-N 3.23Å; S394-Y398 VanDerWaalsContact O-N 3.09Å; P395-Y398 PolarHBondContact O-N 3.37Å; Y398-R402 WeakPolarHBondContact O-CB 3.46Å; Y398-R402 PolarHBondContact O-N 3.21Å; Y398-P458 HydrophobicContact CD2-CB 3.99Å; Y398-P458 HydrophobicContact CD2-CG 3.58Å; Y398-P458 HydrophobicContact CE1-CB 4.26Å; Y398-P458 HydrophobicContact CE2-CB 3.68Å; Y398-P458 HydrophobicContact CE2-CG 3.72Å; Y398-P458 HydrophobicContact CG-CB 4.39Å; Y398-P458 HydrophobicContact CG-CG 4.08Å; Y398-C461 HydrophobicContact CD1-CB 3.79Å; Y398-C461 HydrophobicContact CE1-CB 3.89Å
399A93.3Very high93Very high0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-63.5-44.8-17900000112P395 D396 D397 D403 V466 Q469 L475P395-A399 WeakPolarHBondContact O-CB 3.48Å; P395-A399 PolarHBondContact O-N 3.05Å; D396-A399 PolarHBondContact O-N 3.44Å; D397-A399 PolarHBondContact O-N 2.95Å; A399-D403 WeakPolarHBondContact O-CB 3.15Å; A399-D403 PolarHBondContact O-N 2.98Å; A399-V466 HydrophobicContact CB-CG1 4.42Å; A399-Q469 HydrophobicContact CB-CB 4.31Å; A399-L475 HydrophobicContact CB-CD1 4.26Å; A399-L475 HydrophobicContact CB-CD2 4.01Å
400A93.8Very high92.9Very high0 Ų030.8 Ų30.80%015%0.148CC..Hα-helixtrans-66.6-43.9178.400000112.5W303 M375 D396 D397 D403 L404 Q469W303-A400 HydrophobicContact CH2-CB 3.83Å; W303-A400 HydrophobicContact CZ2-CB 3.7Å; W303-A400 HydrophobicContact CZ3-CB 4.41Å; M375-A400 HydrophobicContact CG-CB 4.31Å; D396-A400 WeakPolarHBondContact O-CB 3.43Å; D396-A400 PolarHBondContact O-N 3.24Å; D397-A400 PolarHBondContact O-N 3.47Å; A400-D403 PolarHBondContact O-N 3.4Å; A400-L404 PolarHBondContact O-N 2.96Å; A400-L404 VanDerWaalsContact O-N 3.09Å; A400-Q469 HydrophobicContact CB-CB 4.35Å
401L93.7Very high92.9Very high3 Ų331.3 Ų31.32%0.01615%0.15CC..Hα-helixtrans-63.9-43.4176.3-178.461000111.4W303 P391 D397 D403 L404 K405 V421 P426W303-L401 HydrophobicContact CH2-CB 4.17Å; W303-L401 HydrophobicContact CZ2-CB 4.18Å; P391-L401 HydrophobicContact CB-CD2 3.98Å; P391-L401 HydrophobicContact CG-CD2 3.8Å; D397-L401 VanDerWaalsContact O-CB 3.28Å; D397-L401 WeakPolarHBondContact O-CB 3.48Å; D397-L401 PolarHBondContact O-N 2.86Å; L401-D403 VanDerWaalsContact C-N 3.34Å; L401-D403 PolarHBondContact O-N 2.92Å; L401-L404 PolarHBondContact O-N 3.22Å; L401-K405 WeakPolarHBondContact O-CG 3.42Å; L401-K405 PolarHBondContact O-N 2.84Å; L401-V421 HydrophobicContact CD1-CG1 4.01Å; L401-P426 HydrophobicContact CD2-CG 4.3Å
402R92.8Very high93Very high26 Ų2637 Ų3710%0.09818%0.176CC..Hα-helixtrans-61.6-41.5175.5-176.5-169.168.4-168.4-5.1111.9Y398 L404 K405 K406 V466 Q467Y398-R402 WeakPolarHBondContact O-CB 3.46Å; Y398-R402 PolarHBondContact O-N 3.21Å; R402-L404 VanDerWaalsContact C-N 3.34Å; R402-K405 PolarHBondContact O-N 3.41Å; R402-K406 HydrophobicContact CG-CD 4.1Å; R402-K406 HydrophobicContact CG-CG 4.39Å; R402-K406 WeakPolarHBondContact O-CB 3.26Å; R402-K406 WeakPolarHBondContact O-CG 3.45Å; R402-K406 PolarHBondContact O-N 3.18Å; R402-V466 VanDerWaalsContact CZ-O 3.24Å; R402-V466 PolarHBondContact NH1-O 3.3Å; R402-V466 PolarHBondContact NH2-O 3.37Å; R402-Q467 PolarHBondContact NH2-O 2.83Å
403D92.6Very high93.1Very high2 Ų244.4 Ų44.41%0.01121%0.208CC..Hα-helixtrans-59.3-44.9175.6-89-29.6000111.2A399 A400 L401 K406 K407 L410 S468 Q469A399-D403 WeakPolarHBondContact O-CB 3.15Å; A399-D403 PolarHBondContact O-N 2.98Å; A400-D403 PolarHBondContact O-N 3.4Å; L401-D403 VanDerWaalsContact C-N 3.34Å; L401-D403 PolarHBondContact O-N 2.92Å; D403-K406 PolarHBondContact O-N 3.46Å; D403-K407 VanDerWaalsContact O-CB 3.28Å; D403-K407 WeakPolarHBondContact O-CB 3.35Å; D403-K407 PolarHBondContact O-N 2.74Å; D403-K407 WeakPolarHBondContact OD1-CE 3.43Å; D403-K407 IonicContact OD1-NZ 3.88Å; D403-K407 PolarHBondContact OD1-NZ 3.22Å; D403-K407 IonicContact OD2-NZ 2.69Å; D403-L410 HydrophobicContact CB-CD2 4.34Å; D403-S468 PolarHBondContact OD2-OG 3.01Å; D403-Q469 WeakPolarHBondContact OD2-CG 3.38Å; D403-Q469 PolarHBondContact OD2-N 3.49Å; D403-Q469 PolarHBondContact OD2-NE2 3.4Å
404L93.4Very high93.2Very high1 Ų145.8 Ų45.81%0.00521%0.214CC..Hα-helixtrans-65-38.9176.5-76.8170.1000112.8W303 L373 P374 A400 L401 R402 L410 R411 V421W303-L404 HydrophobicContact CH2-CD1 4Å; W303-L404 HydrophobicContact CZ3-CD1 3.68Å; L373-L404 HydrophobicContact CB-CD1 4.07Å; L373-L404 HydrophobicContact CD1-CD1 4.11Å; P374-L404 HydrophobicContact CG-CD1 4.43Å; P374-L404 HydrophobicContact CG-CD2 4.09Å; A400-L404 PolarHBondContact O-N 2.96Å; A400-L404 VanDerWaalsContact O-N 3.09Å; L401-L404 PolarHBondContact O-N 3.22Å; R402-L404 VanDerWaalsContact C-N 3.34Å; L404-L410 HydrophobicContact CD2-CB 4.45Å; L404-L410 HydrophobicContact CD2-CD2 3.75Å; L404-L410 HydrophobicContact CD2-CG 3.83Å; L404-L410 HydrophobicContact CG-CD2 4.17Å; L404-R411 HydrophobicContact CD2-CG 4.03Å; L404-R411 VanDerWaalsContact O-CD 3.26Å; L404-R411 WeakPolarHBondContact O-CD 3.17Å; L404-R411 WeakPolarHBondContact O-CG 3.36Å; L404-R411 PolarHBondContact O-NE 3.31Å; L404-V421 HydrophobicContact CB-CG1 3.87Å
405K92.6Very high93.2Very high38 Ų3847.7 Ų47.717%0.16524%0.236CC..Hα-helixtrans-64.2-46.1175.4-72.6-172.2178.5-155.50112.3L401 R402 V421 L422 F424 E425L401-K405 WeakPolarHBondContact O-CG 3.42Å; L401-K405 PolarHBondContact O-N 2.84Å; R402-K405 PolarHBondContact O-N 3.41Å; K405-V421 WeakPolarHBondContact CE-O 3.4Å; K405-V421 HydrophobicContact CG-CG1 3.71Å; K405-L422 HydrophobicContact CB-CD2 4.44Å; K405-L422 HydrophobicContact CG-CD2 4.27Å; K405-F424 VanDerWaalsContact CE-O 3.24Å; K405-F424 WeakPolarHBondContact CE-O 3.49Å; K405-F424 PolarHBondContact NZ-O 2.93Å; K405-E425 IonicContact NZ-OE1 2.64Å; K405-E425 PolarHBondContact NZ-OE1 2.99Å; K405-E425 IonicContact NZ-OE2 2.85Å; K405-E425 PolarHBondContact NZ-OE2 3.27Å
406K91.8Very high93.2Very high140 Ų14048 Ų4861%0.60924%0.238SC*.Hα-helixtrans-74.8-41.8-176.7-72.2-175176.3-174.30113R402 D403 K408R402-K406 HydrophobicContact CG-CD 4.1Å; R402-K406 HydrophobicContact CG-CG 4.39Å; R402-K406 WeakPolarHBondContact O-CB 3.26Å; R402-K406 WeakPolarHBondContact O-CG 3.45Å; R402-K406 PolarHBondContact O-N 3.18Å; D403-K406 PolarHBondContact O-N 3.46Å; K406-K408 PolarHBondContact O-N 2.99Å
407K92Very high93.3Very high89 Ų8949.4 Ų49.439%0.38725%0.248SC..  trans-99.285.7-169.8-60.3171.1-177.4161.10110.1D403 P409 L410 R411D403-K407 VanDerWaalsContact O-CB 3.28Å; D403-K407 WeakPolarHBondContact O-CB 3.35Å; D403-K407 PolarHBondContact O-N 2.74Å; D403-K407 WeakPolarHBondContact OD1-CE 3.43Å; D403-K407 IonicContact OD1-NZ 3.88Å; D403-K407 PolarHBondContact OD1-NZ 3.22Å; D403-K407 IonicContact OD2-NZ 2.69Å; K407-P409 VanDerWaalsContact C-N 3.26Å; K407-L410 HydrophobicContact CB-CB 3.87Å; K407-L410 VanDerWaalsContact O-CB 3.25Å; K407-L410 WeakPolarHBondContact O-CB 3.44Å; K407-L410 PolarHBondContact O-N 2.87Å; K407-R411 PolarHBondContact O-N 2.82Å
408K92.6Very high93.3Very high108 Ų10852.6 Ų52.647%0.4727%0.265SS..Hα-helixtrans-49.1-41.1171.9-166.6-174.2-177.9-164.30113.4K406 L410 R411 E412K406-K408 PolarHBondContact O-N 2.99Å; K408-L410 PolarHBondContact O-N 3.32Å; K408-L410 VanDerWaalsContact O-N 3.16Å; K408-R411 WeakPolarHBondContact O-CB 3.37Å; K408-R411 PolarHBondContact O-N 3.46Å; K408-E412 WeakPolarHBondContact CE-OE1 3.39Å; K408-E412 HydrophobicContact CG-CG 4.45Å; K408-E412 IonicContact NZ-OE1 3.53Å; K408-E412 PolarHBondContact O-N 3.4Å
409P93.6Very high93.3Very high92 Ų9255.5 Ų55.560%0.59728%0.28SS*.Hα-helixtrans-60-28175.9-26.236.1000114.3K407 K413K407-P409 VanDerWaalsContact C-N 3.26Å; P409-K413 VanDerWaalsContact O-CB 3.31Å; P409-K413 WeakPolarHBondContact O-CB 3.33Å; P409-K413 PolarHBondContact O-N 2.85Å
410L92.1Very high93.3Very high30 Ų3056.6 Ų56.616%0.15729%0.286CS..Hα-helixtrans-70.1-39.3176.5-171.464.8000111.1D403 L404 K407 K408 F414D403-L410 HydrophobicContact CB-CD2 4.34Å; L404-L410 HydrophobicContact CD2-CB 4.45Å; L404-L410 HydrophobicContact CD2-CD2 3.75Å; L404-L410 HydrophobicContact CD2-CG 3.83Å; L404-L410 HydrophobicContact CG-CD2 4.17Å; K407-L410 HydrophobicContact CB-CB 3.87Å; K407-L410 VanDerWaalsContact O-CB 3.25Å; K407-L410 WeakPolarHBondContact O-CB 3.44Å; K407-L410 PolarHBondContact O-N 2.87Å; K408-L410 PolarHBondContact O-N 3.32Å; K408-L410 VanDerWaalsContact O-N 3.16Å; L410-F414 HydrophobicContact CD1-CD2 4.11Å; L410-F414 HydrophobicContact CD1-CE2 3.7Å; L410-F414 HydrophobicContact CG-CD2 4.46Å; L410-F414 HydrophobicContact CG-CE2 4.47Å; L410-F414 VanDerWaalsContact O-CD2 3.27Å; L410-F414 WeakPolarHBondContact O-CD2 3.45Å; L410-F414 PolarHBondContact O-N 2.95Å
411R94.9Very high93.3Very high15 Ų1556.6 Ų56.66%0.05729%0.286CS..Hα-helixtrans-66-46.6175.1-72.9-176.9-77.7156.45.1111.1L404 K407 K408 K413 F414 G415 I416 D418 V421L404-R411 HydrophobicContact CD2-CG 4.03Å; L404-R411 VanDerWaalsContact O-CD 3.26Å; L404-R411 WeakPolarHBondContact O-CD 3.17Å; L404-R411 WeakPolarHBondContact O-CG 3.36Å; L404-R411 PolarHBondContact O-NE 3.31Å; K407-R411 PolarHBondContact O-N 2.82Å; K408-R411 WeakPolarHBondContact O-CB 3.37Å; K408-R411 PolarHBondContact O-N 3.46Å; R411-K413 PolarHBondContact O-N 3.29Å; R411-F414 CarbonylContact O-C 3.57Å; R411-F414 PolarHBondContact O-N 2.94Å; R411-G415 PolarHBondContact O-N 2.75Å; R411-I416 HydrophobicContact CB-CB 4.27Å; R411-I416 WeakPolarHBondContact CB-O 3.33Å; R411-I416 HydrophobicContact CG-CB 4.41Å; R411-I416 HydrophobicContact CG-CG2 4.3Å; R411-I416 PolarHBondContact O-N 2.87Å; R411-D418 IonicContact CZ-OD1 3.4Å; R411-D418 IonicContact NH1-OD1 2.63Å; R411-D418 PolarHBondContact NH1-OD1 3.31Å; R411-D418 IonicContact NH1-OD2 3.58Å; R411-D418 IonicContact NH2-OD1 3.89Å; R411-V421 HydrophobicContact CG-CG2 4.44Å
412E94Very high93.2Very high119 Ų11959.5 Ų59.556%0.55630%0.301SS*.Hα-helixtrans-60.1-43.8177.1-69.9169.8176.200112.1K408 F414 G415K408-E412 WeakPolarHBondContact CE-OE1 3.39Å; K408-E412 HydrophobicContact CG-CG 4.45Å; K408-E412 IonicContact NZ-OE1 3.53Å; K408-E412 PolarHBondContact O-N 3.4Å; E412-F414 PolarHBondContact O-N 3.26Å; E412-G415 PolarHBondContact O-N 3.22Å
413K93.6Very high93.1Very high156 Ų15661.9 Ų61.968%0.67832%0.32SS*.Hα-helixtrans-55-35.8177.4178.6179.7176.8-177.50113.2P409 R411P409-K413 VanDerWaalsContact O-CB 3.31Å; P409-K413 WeakPolarHBondContact O-CB 3.33Å; P409-K413 PolarHBondContact O-N 2.85Å; R411-K413 PolarHBondContact O-N 3.29Å
414F93.2Very high92.8Very high32 Ų3262.4 Ų62.414%0.1432%0.322CS..THydrogen-bonded Turntrans-105.98.6-175.6-68.4-63.5000113.6P306 L356 P374 L376 L410 R411 E412 I416P306-F414 HydrophobicContact CB-CD1 4.13Å; P306-F414 HydrophobicContact CB-CE1 3.56Å; P306-F414 HydrophobicContact CB-CZ 4.24Å; P306-F414 HydrophobicContact CG-CE1 3.73Å; P306-F414 HydrophobicContact CG-CZ 3.88Å; L356-F414 HydrophobicContact CD1-CB 3.82Å; L356-F414 HydrophobicContact CD1-CD1 3.79Å; L356-F414 HydrophobicContact CD1-CG 4.05Å; P374-F414 HydrophobicContact CB-CD1 4.39Å; P374-F414 HydrophobicContact CB-CD2 3.91Å; P374-F414 HydrophobicContact CB-CE2 4.16Å; P374-F414 HydrophobicContact CB-CG 4.04Å; P374-F414 HydrophobicContact CG-CB 3.99Å; P374-F414 HydrophobicContact CG-CD2 3.6Å; P374-F414 HydrophobicContact CG-CE2 4.25Å; P374-F414 HydrophobicContact CG-CG 3.85Å; L376-F414 HydrophobicContact CD2-CE2 4.11Å; L376-F414 HydrophobicContact CD2-CZ 3.78Å; L410-F414 HydrophobicContact CD1-CD2 4.11Å; L410-F414 HydrophobicContact CD1-CE2 3.7Å; L410-F414 HydrophobicContact CG-CD2 4.46Å; L410-F414 HydrophobicContact CG-CE2 4.47Å; L410-F414 VanDerWaalsContact O-CD2 3.27Å; L410-F414 WeakPolarHBondContact O-CD2 3.45Å; L410-F414 PolarHBondContact O-N 2.95Å; R411-F414 CarbonylContact O-C 3.57Å; R411-F414 PolarHBondContact O-N 2.94Å; E412-F414 PolarHBondContact O-N 3.26Å; F414-I416 VanDerWaalsContact C-N 3.25Å; F414-I416 HydrophobicContact CB-CG1 4.11Å; F414-I416 PolarHBondContact O-N 2.69Å
415G92.8Very high92Very high59 Ų5965.7 Ų65.761%0.60834%0.337SS*.THydrogen-bonded Turntrans65.32518000000114.4R411 E412R411-G415 PolarHBondContact O-N 2.75Å; E412-G415 PolarHBondContact O-N 3.22Å
416I94.9Very high90.6Very high9 Ų964.5 Ų64.55%0.04633%0.333CS..  trans-87.9127.4179.3-60.7-57.3000109.5L356 L373 P374 R411 F414 M420 V421L356-I416 HydrophobicContact CB-CD1 3.99Å; L373-I416 HydrophobicContact CD2-CD1 3.91Å; L373-I416 HydrophobicContact CD2-CG1 4.31Å; L373-I416 HydrophobicContact CD2-CG2 3.76Å; P374-I416 HydrophobicContact CG-CG1 4.43Å; R411-I416 HydrophobicContact CB-CB 4.27Å; R411-I416 WeakPolarHBondContact CB-O 3.33Å; R411-I416 HydrophobicContact CG-CB 4.41Å; R411-I416 HydrophobicContact CG-CG2 4.3Å; R411-I416 PolarHBondContact O-N 2.87Å; F414-I416 VanDerWaalsContact C-N 3.25Å; F414-I416 HydrophobicContact CB-CG1 4.11Å; F414-I416 PolarHBondContact O-N 2.69Å; I416-M420 HydrophobicContact CD1-SD 4.27Å; I416-M420 HydrophobicContact CG2-CB 3.97Å; I416-M420 HydrophobicContact CG2-SD 4.14Å; I416-V421 HydrophobicContact CG2-CG2 3.4Å; I416-V421 VanDerWaalsContact CG2-CG2 3.4Å
417T94.6Very high88.4Confident57 Ų5760.8 Ų60.835%0.3532%0.322SS..  trans-85.6161.4178.660.10000111.8E419 M420T417-E419 VanDerWaalsContact C-N 3.26Å; T417-E419 PolarHBondContact O-N 3.37Å; T417-E419 VanDerWaalsContact OG1-CG 3.31Å; T417-E419 WeakPolarHBondContact OG1-CG 3.38Å; T417-E419 PolarHBondContact OG1-OE1 3.07Å; T417-M420 HydrophobicContact CG2-CE 4.32Å; T417-M420 WeakPolarHBondContact O-CB 3.48Å; T417-M420 PolarHBondContact O-N 2.87Å; T417-M420 VanDerWaalsContact O-N 3.14Å; T417-M420 WeakPolarHBondContact OG1-CE 3.34Å; T417-M420 VanDerWaalsContact OG1-CG 3.32Å; T417-M420 WeakPolarHBondContact OG1-CG 3.38Å
418D93.9Very high85.8Confident75 Ų7562.4 Ų62.440%0.40133%0.331SS..G310 helixtrans-59.7-36.5-178.9-7717.5000112.7R411 M420 V421 L422R411-D418 IonicContact CZ-OD1 3.4Å; R411-D418 IonicContact NH1-OD1 2.63Å; R411-D418 PolarHBondContact NH1-OD1 3.31Å; R411-D418 IonicContact NH1-OD2 3.58Å; R411-D418 IonicContact NH2-OD1 3.89Å; D418-M420 PolarHBondContact O-N 2.96Å; D418-V421 PolarHBondContact O-N 3.22Å; D418-L422 HydrophobicContact CB-CD1 3.81Å; D418-L422 HydrophobicContact CB-CG 4.25Å; D418-L422 WeakPolarHBondContact O-CB 3.48Å; D418-L422 WeakPolarHBondContact O-CG 3.46Å; D418-L422 PolarHBondContact O-N 2.82Å
419E93.6Very high82.8Confident115 Ų11565.4 Ų65.454%0.53734%0.344SS..G310 helixtrans-63.1-26178.579.4-156.3142.900113.1T417 V421 P423T417-E419 VanDerWaalsContact C-N 3.26Å; T417-E419 PolarHBondContact O-N 3.37Å; T417-E419 VanDerWaalsContact OG1-CG 3.31Å; T417-E419 WeakPolarHBondContact OG1-CG 3.38Å; T417-E419 PolarHBondContact OG1-OE1 3.07Å; E419-V421 VanDerWaalsContact C-N 3.3Å; E419-V421 PolarHBondContact O-N 2.89Å; E419-P423 WeakPolarHBondContact O-CD 3.48Å
420M93.3Very high79.7Confident23 Ų2365.7 Ų65.711%0.11335%0.349CS..G310 helixtrans-80.2-13-177.8-61.7173.2-17700112.6Y371 L373 I416 T417 D418 F424Y371-M420 HydrophobicContact CD1-CB 4.25Å; Y371-M420 HydrophobicContact CD1-CG 3.67Å; Y371-M420 HydrophobicContact CD1-SD 4.31Å; Y371-M420 HydrophobicContact CD2-CB 3.92Å; Y371-M420 HydrophobicContact CD2-CG 4.12Å; Y371-M420 HydrophobicContact CE1-CE 4.49Å; Y371-M420 HydrophobicContact CE1-CG 3.8Å; Y371-M420 HydrophobicContact CE2-CB 4.35Å; Y371-M420 HydrophobicContact CE2-CG 4.26Å; Y371-M420 HydrophobicContact CG-CB 3.87Å; Y371-M420 HydrophobicContact CG-CG 3.83Å; L373-M420 HydrophobicContact CD2-CB 4.25Å; I416-M420 HydrophobicContact CD1-SD 4.27Å; I416-M420 HydrophobicContact CG2-CB 3.97Å; I416-M420 HydrophobicContact CG2-SD 4.14Å; T417-M420 HydrophobicContact CG2-CE 4.32Å; T417-M420 WeakPolarHBondContact O-CB 3.48Å; T417-M420 PolarHBondContact O-N 2.87Å; T417-M420 VanDerWaalsContact O-N 3.14Å; T417-M420 WeakPolarHBondContact OG1-CE 3.34Å; T417-M420 VanDerWaalsContact OG1-CG 3.32Å; T417-M420 WeakPolarHBondContact OG1-CG 3.38Å; D418-M420 PolarHBondContact O-N 2.96Å; M420-F424 VanDerWaalsContact O-CD2 3.27Å; M420-F424 WeakPolarHBondContact O-CD2 3.46Å; M420-F424 WeakPolarHBondContact O-CE2 3.39Å
421V93Very high76.7Confident0 Ų069.4 Ų69.40%038%0.375CS..THydrogen-bonded Turntrans-130.3-51.3-170.8-1730000112.5L373 L401 L404 K405 R411 I416 D418 E419 F424L373-V421 HydrophobicContact CD1-CG2 4.04Å; L373-V421 HydrophobicContact CD2-CG2 4.09Å; L401-V421 HydrophobicContact CD1-CG1 4.01Å; L404-V421 HydrophobicContact CB-CG1 3.87Å; K405-V421 WeakPolarHBondContact CE-O 3.4Å; K405-V421 HydrophobicContact CG-CG1 3.71Å; R411-V421 HydrophobicContact CG-CG2 4.44Å; I416-V421 HydrophobicContact CG2-CG2 3.4Å; I416-V421 VanDerWaalsContact CG2-CG2 3.4Å; D418-V421 PolarHBondContact O-N 3.22Å; E419-V421 VanDerWaalsContact C-N 3.3Å; E419-V421 PolarHBondContact O-N 2.89Å; V421-F424 PolarHBondContact O-N 3.13Å
422L91.7Very high73.8Confident64 Ų6472.4 Ų72.434%0.33540%0.398SS..THydrogen-bonded Turntrans-65-41.6-169.1-57.5-175.4000113.4K405 D418 F424K405-L422 HydrophobicContact CB-CD2 4.44Å; K405-L422 HydrophobicContact CG-CD2 4.27Å; D418-L422 HydrophobicContact CB-CD1 3.81Å; D418-L422 HydrophobicContact CB-CG 4.25Å; D418-L422 WeakPolarHBondContact O-CB 3.48Å; D418-L422 WeakPolarHBondContact O-CG 3.46Å; D418-L422 PolarHBondContact O-N 2.82Å; L422-F424 PolarHBondContact O-N 2.86Å
423P90.2Very high71.4Confident76 Ų7672.5 Ų72.549%0.49441%0.412SS..THydrogen-bonded Turntrans-67.3-17179.5-2235.1000114.7E419 E425E419-P423 WeakPolarHBondContact O-CD 3.48Å; P423-E425 PolarHBondContact O-N 2.91Å; P423-E425 VanDerWaalsContact O-N 3.12Å
424F87.9Confident68.8Low12 Ų1270 Ų705%0.05341%0.406CS..  trans-87.181.1-176.7-61.3-78.2000110T300 Y367 I369 V370 Y371 K405 M420 V421 L422T300-F424 HydrophobicContact CG2-CB 4.49Å; T300-F424 WeakPolarHBondContact O-CD1 3.49Å; Y367-F424 AromaticContact CD1-CD1 3.9Å; Y367-F424 HydrophobicContact CD1-CD1 3.9Å; Y367-F424 AromaticContact CD1-CE1 3.8Å; Y367-F424 HydrophobicContact CD1-CE1 3.8Å; Y367-F424 HydrophobicContact CD2-CD1 4.12Å; Y367-F424 HydrophobicContact CD2-CE1 4.43Å; Y367-F424 AromaticContact CE1-CD1 3.82Å; Y367-F424 HydrophobicContact CE1-CD1 3.82Å; Y367-F424 HydrophobicContact CE1-CE1 4.16Å; Y367-F424 HydrophobicContact CE2-CD1 4.03Å; Y367-F424 HydrophobicContact CG-CD1 4.04Å; Y367-F424 AromaticContact CG-CE1 3.95Å; Y367-F424 HydrophobicContact CG-CE1 3.95Å; Y367-F424 AromaticContact CZ-CD1 3.89Å; I369-F424 WeakPolarHBondContact O-CE1 3.46Å; I369-F424 WeakPolarHBondContact O-CZ 3.45Å; V370-F424 HydrophobicContact CG1-CE1 4.36Å; Y371-F424 AromaticContact CD2-CE2 3.55Å; Y371-F424 HydrophobicContact CD2-CE2 3.55Å; Y371-F424 AromaticContact CD2-CZ 3.65Å; Y371-F424 HydrophobicContact CD2-CZ 3.65Å; Y371-F424 AromaticContact CE2-CE2 3.67Å; Y371-F424 HydrophobicContact CE2-CE2 3.67Å; Y371-F424 AromaticContact CE2-CZ 3.64Å; Y371-F424 HydrophobicContact CE2-CZ 3.64Å; K405-F424 VanDerWaalsContact CE-O 3.24Å; K405-F424 WeakPolarHBondContact CE-O 3.49Å; K405-F424 PolarHBondContact NZ-O 2.93Å; M420-F424 VanDerWaalsContact O-CD2 3.27Å; M420-F424 WeakPolarHBondContact O-CD2 3.46Å; M420-F424 WeakPolarHBondContact O-CE2 3.39Å; V421-F424 PolarHBondContact O-N 3.13Å; L422-F424 PolarHBondContact O-N 2.86Å
425E74.8Confident66.1Low71 Ų7176.6 Ų76.633%0.33244%0.437SS..  trans-92.4129.9177.4-72.7-5915400112.1Y367 K405 P423 V427 L444Y367-E425 PolarHBondContact OH-O 2.72Å; K405-E425 IonicContact NZ-OE1 2.64Å; K405-E425 PolarHBondContact NZ-OE1 2.99Å; K405-E425 IonicContact NZ-OE2 2.85Å; K405-E425 PolarHBondContact NZ-OE2 3.27Å; P423-E425 PolarHBondContact O-N 2.91Å; P423-E425 VanDerWaalsContact O-N 3.12Å; E425-V427 WeakPolarHBondContact CB-O 3.38Å; E425-V427 PolarHBondContact O-N 2.86Å; E425-L444 WeakPolarHBondContact O-CD1 3.18Å
426P63.2Low63.2Low12 Ų1284.1 Ų84.18%0.07845%0.447CS..SBendtrans-55.4-32.1163.3-19.931.5000112P391 L401 M455P391-P426 HydrophobicContact CB-CG 3.93Å; P391-P426 HydrophobicContact CG-CB 4.33Å; P391-P426 HydrophobicContact CG-CG 3.82Å; L401-P426 HydrophobicContact CD2-CG 4.3Å; P426-M455 HydrophobicContact CB-CE 3.35Å
427V46.2Very low60.2Low63 Ų6387.5 Ų87.538%0.38248%0.476SS..SBendtrans-142.2117.7176.8-177.40000108.9E425 M455E425-V427 WeakPolarHBondContact CB-O 3.38Å; E425-V427 PolarHBondContact O-N 2.86Å; V427-M455 HydrophobicContact CG2-CE 3.72Å; V427-M455 HydrophobicContact CG2-CG 3.61Å; V427-M455 HydrophobicContact CG2-SD 3.63Å
428Q36.8Very low57Low122 Ų12292.7 Ų92.757%0.5750%0.496SS*.  trans-88.5115.5170.2-147.7176.89.600109.2
429F29.6Very low53.9Low171 Ų17194.2 Ų94.275%0.7551%0.508SS*.  trans-79.3119.6165.3-164.8-91.6000107.5P431F429-P431 HydrophobicContact CE1-CB 4.15Å
430S29.7Very low50.9Low99 Ų9994.1 Ų94.169%0.69251%0.506SS*.  trans-108.1114.3164.6-1770000107.3S432S430-S432 PolarHBondContact O-N 3Å
431P28.9Very low48.1Very low107 Ų107100.4 Ų100.470%0.69554%0.535SS*.  trans-70.499.3168.327.5-26.6000107.6F429F429-P431 HydrophobicContact CE1-CB 4.15Å
432S34.8Very low45.6Very low79 Ų79105.5 Ų105.555%0.55256%0.557SS**  trans-84.5139.7160.769.80000108.8S430 D434S430-S432 PolarHBondContact O-N 3Å; S432-D434 PolarHBondContact O-N 2.84Å; S432-D434 VanDerWaalsContact O-N 3.08Å
433S41.8Very low43.8Very low120 Ų120108.4 Ų108.484%0.83957%0.567SS**SBendtrans-71.510.4177.449.30000113.9
434D38.9Very low42.7Very low104 Ų104105 Ų10556%0.55654%0.544SS*.  trans-112.4116.5-174.4-162.4-8.6000110.8S432 R436S432-D434 PolarHBondContact O-N 2.84Å; S432-D434 VanDerWaalsContact O-N 3.08Å; D434-R436 PolarHBondContact O-N 3.36Å
435H37.1Very low42.1Very low171 Ų171104.9 Ų104.979%0.79255%0.545SS*.  trans-86.916.6-169.8-61.421.6000112.4
436R32.3Very low42.5Very low217 Ų217101.5 Ų101.582%0.81953%0.529SS*.SBendtrans-135.3106-176.2-64.5-178.2-178.4173.51.1108.9D434D434-R436 PolarHBondContact O-N 3.36Å
437A31Very low43.8Very low80 Ų80101 Ų10166%0.66153%0.526SS*.  trans84.887.1-175.500000115.8V439A437-V439 HydrophobicContact CB-CG2 4.45Å; A437-V439 PolarHBondContact O-N 3.2Å
438H28.6Very low46Very low166 Ų166100.8 Ų100.877%0.76952%0.522SS*.  trans-62.793.9160.4-61.5127.5000110F440H438-F440 HydrophobicContact CB-CD2 4.43Å; H438-F440 HydrophobicContact CB-CE2 4.15Å
439V28.9Very low48.6Very low106 Ų10695 Ų9564%0.64250%0.496SS*.  trans-96.490.4167.4-174.10000108.1A437 H441A437-V439 HydrophobicContact CB-CG2 4.45Å; A437-V439 PolarHBondContact O-N 3.2Å; V439-H441 PolarHBondContact O-N 2.91Å; V439-H441 PolarHBondContact O-ND1 3.48Å
440F31.1Very low51.4Low114 Ų11489.4 Ų89.450%0.548%0.477SS..  trans-58.8108.6169.2-71.1-89.1000109.4H438 F442H438-F440 HydrophobicContact CB-CD2 4.43Å; H438-F440 HydrophobicContact CB-CE2 4.15Å; F440-F442 HydrophobicContact CB-CD1 4.02Å; F440-F442 HydrophobicContact CB-CD2 3.47Å; F440-F442 VanDerWaalsContact CB-CD2 3.47Å; F440-F442 HydrophobicContact CB-CE1 3.69Å; F440-F442 HydrophobicContact CB-CE2 3.13Å; F440-F442 HydrophobicContact CB-CG 3.92Å; F440-F442 HydrophobicContact CB-CZ 3.22Å; F440-F442 AromaticContact CD1-CE1 3.87Å; F440-F442 HydrophobicContact CD1-CE1 3.87Å; F440-F442 AromaticContact CD1-CZ 3.81Å; F440-F442 HydrophobicContact CD1-CZ 3.81Å; F440-F442 HydrophobicContact CD2-CE2 4.16Å; F440-F442 AromaticContact CD2-CZ 3.85Å; F440-F442 HydrophobicContact CD2-CZ 3.85Å; F440-F442 AromaticContact CG-CE1 3.87Å; F440-F442 HydrophobicContact CG-CE1 3.87Å; F440-F442 AromaticContact CG-CE2 3.76Å; F440-F442 HydrophobicContact CG-CE2 3.76Å; F440-F442 AromaticContact CG-CZ 3.37Å; F440-F442 HydrophobicContact CG-CZ 3.37Å; F440-F442 VanDerWaalsContact O-CD2 3.3Å; F440-F442 WeakPolarHBondContact O-CD2 3.29Å; F440-F442 PolarHBondContact O-N 3.22Å
441H33.1Very low54.2Low155 Ų15587.6 Ų87.672%0.71847%0.473SS*.  trans-78.580.7167.5-76.871.1000108.3V439 K443V439-H441 PolarHBondContact O-N 2.91Å; V439-H441 PolarHBondContact O-ND1 3.48Å; H441-K443 PolarHBondContact O-N 2.89Å
442F41.6Very low57Low106 Ų10684.5 Ų84.547%0.46545%0.448SS..  trans-71.1106.8-178.1-74.7-63.6000111.3F440 P445F440-F442 HydrophobicContact CB-CD1 4.02Å; F440-F442 HydrophobicContact CB-CD2 3.47Å; F440-F442 VanDerWaalsContact CB-CD2 3.47Å; F440-F442 HydrophobicContact CB-CE1 3.69Å; F440-F442 HydrophobicContact CB-CE2 3.13Å; F440-F442 HydrophobicContact CB-CG 3.92Å; F440-F442 HydrophobicContact CB-CZ 3.22Å; F440-F442 AromaticContact CD1-CE1 3.87Å; F440-F442 HydrophobicContact CD1-CE1 3.87Å; F440-F442 AromaticContact CD1-CZ 3.81Å; F440-F442 HydrophobicContact CD1-CZ 3.81Å; F440-F442 HydrophobicContact CD2-CE2 4.16Å; F440-F442 AromaticContact CD2-CZ 3.85Å; F440-F442 HydrophobicContact CD2-CZ 3.85Å; F440-F442 AromaticContact CG-CE1 3.87Å; F440-F442 HydrophobicContact CG-CE1 3.87Å; F440-F442 AromaticContact CG-CE2 3.76Å; F440-F442 HydrophobicContact CG-CE2 3.76Å; F440-F442 AromaticContact CG-CZ 3.37Å; F440-F442 HydrophobicContact CG-CZ 3.37Å; F440-F442 VanDerWaalsContact O-CD2 3.3Å; F440-F442 WeakPolarHBondContact O-CD2 3.29Å; F440-F442 PolarHBondContact O-N 3.22Å; F442-P445 HydrophobicContact CB-CG 3.48Å; F442-P445 VanDerWaalsContact CB-CG 3.48Å; F442-P445 HydrophobicContact CD1-CG 3.85Å; F442-P445 HydrophobicContact CG-CG 3.76Å
443K54.4Low59.7Low125 Ų12581.9 Ų81.954%0.54343%0.433SS..SBendtrans-81.4-19.2175.6-78.2-171.1177.1-179.20114.8S366 H441S366-K443 PolarHBondContact OG-O 3.24Å; H441-K443 PolarHBondContact O-N 2.89Å
444L65.2Low61.8Low4 Ų477.6 Ų77.62%0.02140%0.403CS..  trans-137.7-5-167.8-70.5170.3000120T300 Y367 E425 V446T300-L444 HydrophobicContact CG2-CD1 3.52Å; T300-L444 HydrophobicContact CG2-CD2 4.38Å; Y367-L444 HydrophobicContact CD2-CD2 4.39Å; Y367-L444 HydrophobicContact CE2-CD1 3.88Å; Y367-L444 HydrophobicContact CE2-CD2 3.82Å; Y367-L444 HydrophobicContact CE2-CG 4.11Å; E425-L444 WeakPolarHBondContact O-CD1 3.18Å; L444-V446 VanDerWaalsContact O-CG2 3.27Å; L444-V446 WeakPolarHBondContact O-CG2 3.46Å; L444-V446 PolarHBondContact O-N 3.49Å
445P76.5Confident64.1Low10 Ų1073.2 Ų73.27%0.06538%0.38CS..  trans-65.9110.5178.527.1-31.2000109.2F442 M455 L493 V494F442-P445 HydrophobicContact CB-CG 3.48Å; F442-P445 VanDerWaalsContact CB-CG 3.48Å; F442-P445 HydrophobicContact CD1-CG 3.85Å; F442-P445 HydrophobicContact CG-CG 3.76Å; P445-M455 HydrophobicContact CB-SD 4.46Å; P445-L493 HydrophobicContact CB-CD1 3.86Å; P445-V494 WeakPolarHBondContact O-CG1 3.38Å
446V82.7Confident66.7Low1 Ų165.1 Ų65.11%0.00634%0.342CS..  trans-90.7-41.6-177.2-171.60000110.5E294 Y297 G298 L444 L492 L493 V494E294-V446 VanDerWaalsContact O-CG1 3.31Å; E294-V446 WeakPolarHBondContact O-CG1 3.49Å; Y297-V446 HydrophobicContact CD2-CG1 4.12Å; G298-V446 VanDerWaalsContact N-CG2 3.3Å; L444-V446 VanDerWaalsContact O-CG2 3.27Å; L444-V446 WeakPolarHBondContact O-CG2 3.46Å; L444-V446 PolarHBondContact O-N 3.49Å; V446-L492 HydrophobicContact CG1-CD1 3.77Å; V446-L492 WeakPolarHBondContact O-CD1 3.38Å; V446-L493 PolarHBondContact O-N 3.02Å; V446-V494 HydrophobicContact CB-CG2 4.34Å; V446-V494 HydrophobicContact CG1-CG2 3.81Å
447I90.2Very high69.5Low0 Ų054.8 Ų54.80%030%0.303CS..EExtended strand (participates in β ladder)trans-134.4127.4-171.6-50.7177.4000109.3E294 T295 D393 I449 S454 V491 L492 I502E294-I447 HydrophobicContact CG-CD1 4.04Å; T295-I447 HydrophobicContact CG2-CD1 3.82Å; D393-I447 WeakPolarHBondContact OD1-CB 3.42Å; I447-I449 HydrophobicContact CG2-CG1 3.87Å; I447-S454 WeakPolarHBondContact O-CA 3.35Å; I447-V491 CarbonylContact C-O 3.58Å; I447-V491 WeakPolarHBondContact CA-O 3.5Å; I447-L492 HydrophobicContact CG1-CD1 4.29Å; I447-I502 HydrophobicContact CD1-CD1 3.9Å; I447-I502 HydrophobicContact CD1-CG1 4.06Å; I447-I502 HydrophobicContact CG1-CD1 4.03Å; I447-I502 HydrophobicContact CG1-CG1 4.47Å; I447-I502 HydrophobicContact CG2-CD1 4.28Å; I447-I502 HydrophobicContact CG2-CG1 4.01Å
448D91.9Very high72.4Confident59 Ų5951.5 Ų51.532%0.31628%0.275SS..EExtended strand (participates in β ladder)trans-87.2118.8165.1-174.450.9000109.5G453 S454 G490 V491 L493D448-G453 VanDerWaalsContact OD1-CA 3.24Å; D448-G453 WeakPolarHBondContact OD1-CA 3.44Å; D448-S454 PolarHBondContact OD1-N 2.93Å; D448-G490 WeakPolarHBondContact O-CA 3.43Å; D448-V491 PolarHBondContact N-O 3.07Å; D448-V491 PolarHBondContact O-N 2.96Å; D448-L493 HydrophobicContact CB-CD1 4.02Å; D448-L493 HydrophobicContact CB-CD2 3.95Å; D448-L493 HydrophobicContact CB-CG 4.13Å
449I92.5Very high75.4Confident1 Ų146.4 Ų46.41%0.00525%0.253CS..BIsolated β-bridgetrans-109.1116.1176.9-55.7-177.1000108.2I447 G451 Y452 G453 A456 K485I447-I449 HydrophobicContact CG2-CG1 3.87Å; I449-G451 PolarHBondContact O-N 3.42Å; I449-Y452 HydrophobicContact CG2-CD2 4.12Å; I449-Y452 CarbonylContact O-C 3.6Å; I449-Y452 PolarHBondContact O-N 2.97Å; I449-G453 PolarHBondContact N-O 2.93Å; I449-G453 VanDerWaalsContact N-O 3.12Å; I449-G453 PolarHBondContact O-N 3.36Å; I449-A456 HydrophobicContact CB-CB 4.21Å; I449-A456 HydrophobicContact CD1-CB 3.67Å; I449-A456 HydrophobicContact CG1-CB 4.09Å; I449-K485 HydrophobicContact CG2-CB 4.08Å; I449-K485 HydrophobicContact CG2-CD 3.89Å; I449-K485 HydrophobicContact CG2-CG 3.74Å
450P88.8Confident78.4Confident54 Ų5441.5 Ų41.535%0.35122%0.224SC..THydrogen-bonded Turntrans-49.2131.2179-3136.8000113Y452 K485 E489P450-Y452 VanDerWaalsContact C-N 3.26Å; P450-Y452 PolarHBondContact O-N 3.28Å; P450-K485 WeakPolarHBondContact O-CE 3.5Å; P450-K485 PolarHBondContact O-NZ 2.91Å; P450-E489 WeakPolarHBondContact CD-O 3.2Å; P450-E489 HydrophobicContact CG-CB 4.12Å
451G88Confident81.3Confident60 Ų6036.1 Ų36.162%0.61920%0.2SC*.THydrogen-bonded Turntrans81.6-12.6-177.200000116.1I449 K463I449-G451 PolarHBondContact O-N 3.42Å; G451-K463 PolarHBondContact O-NZ 3.15Å
452Y88.7Confident84Confident43 Ų4335.5 Ų35.517%0.16920%0.198CC..THydrogen-bonded Turntrans-116.1-24.4171.5-68-79.2000112.7I449 P450 N459 A460 Q481 L482 K485I449-Y452 HydrophobicContact CG2-CD2 4.12Å; I449-Y452 CarbonylContact O-C 3.6Å; I449-Y452 PolarHBondContact O-N 2.97Å; P450-Y452 VanDerWaalsContact C-N 3.26Å; P450-Y452 PolarHBondContact O-N 3.28Å; Y452-N459 PolarHBondContact O-ND2 3.44Å; Y452-A460 HydrophobicContact CD1-CB 3.82Å; Y452-A460 HydrophobicContact CE1-CB 3.62Å; Y452-Q481 PolarHBondContact OH-OE1 2.94Å; Y452-L482 HydrophobicContact CD1-CD2 3.9Å; Y452-L482 HydrophobicContact CD2-CD2 3.61Å; Y452-L482 HydrophobicContact CE1-CD2 4.02Å; Y452-L482 HydrophobicContact CE2-CD2 3.73Å; Y452-L482 HydrophobicContact CG-CD2 3.7Å; Y452-K485 HydrophobicContact CD2-CD 4.13Å; Y452-K485 HydrophobicContact CE2-CD 3.99Å
453G89.5Confident86.4Confident23 Ų2337.2 Ų37.224%0.23721%0.205CC..BIsolated β-bridgetrans81.4-165.3-178.400000112.9D448 I449 M455D448-G453 VanDerWaalsContact OD1-CA 3.24Å; D448-G453 WeakPolarHBondContact OD1-CA 3.44Å; I449-G453 PolarHBondContact N-O 2.93Å; I449-G453 VanDerWaalsContact N-O 3.12Å; I449-G453 PolarHBondContact O-N 3.36Å; G453-M455 VanDerWaalsContact C-N 3.27Å; G453-M455 PolarHBondContact O-N 3.47Å
454S87.1Confident88.1Confident30 Ų3033.5 Ų33.521%0.2120%0.198CC..SBendtrans-76.1-10.8-177.361.90000115.1I447 D448I447-S454 WeakPolarHBondContact O-CA 3.35Å; D448-S454 PolarHBondContact OD1-N 2.93Å
455M87.1Confident89.4Confident13 Ų1339.1 Ų39.16%0.06423%0.228CC..  trans-119.560.1176.9-62.7-54.8-54.500109.4S392 P426 V427 P445 G453 A457 P458 N459S392-M455 CarbonylContact O-C 3.57Å; P426-M455 HydrophobicContact CB-CE 3.35Å; V427-M455 HydrophobicContact CG2-CE 3.72Å; V427-M455 HydrophobicContact CG2-CG 3.61Å; V427-M455 HydrophobicContact CG2-SD 3.63Å; P445-M455 HydrophobicContact CB-SD 4.46Å; G453-M455 VanDerWaalsContact C-N 3.27Å; G453-M455 PolarHBondContact O-N 3.47Å; M455-A457 PolarHBondContact O-N 3.3Å; M455-P458 HydrophobicContact CB-CG 4.21Å; M455-P458 HydrophobicContact CE-CG 3.76Å; M455-P458 WeakPolarHBondContact O-CD 3.38Å; M455-N459 VanDerWaalsContact O-CB 3.3Å; M455-N459 WeakPolarHBondContact O-CB 3.41Å; M455-N459 PolarHBondContact O-N 3.2Å; M455-N459 VanDerWaalsContact O-N 3.08Å; M455-N459 PolarHBondContact O-ND2 2.84Å
456A91.6Very high90Very high0 Ų038.8 Ų38.80%023%0.226CC..Hα-helixtrans-64-39.8-16700000113.6S392 I449 A460 L482S392-A456 PolarHBondContact O-N 2.89Å; S392-A456 VanDerWaalsContact O-N 3.14Å; I449-A456 HydrophobicContact CB-CB 4.21Å; I449-A456 HydrophobicContact CD1-CB 3.67Å; I449-A456 HydrophobicContact CG1-CB 4.09Å; A456-A460 WeakPolarHBondContact O-CB 3.5Å; A456-A460 PolarHBondContact O-N 2.93Å; A456-L482 HydrophobicContact CB-CD1 4.41Å; A456-L482 HydrophobicContact CB-CD2 3.98Å
457A92.3Very high90.4Very high0 Ų044.5 Ų44.50%025%0.253CS..Hα-helixtrans-68.1-51178.600000113.3S392 S394 P395 M455 N459 A460 C461 L482S392-A457 WeakPolarHBondContact O-CB 3.3Å; S392-A457 PolarHBondContact O-N 3.48Å; S394-A457 VanDerWaalsContact C-CB 3.45Å; P395-A457 HydrophobicContact CB-CB 4.5Å; M455-A457 PolarHBondContact O-N 3.3Å; A457-N459 VanDerWaalsContact C-N 3.35Å; A457-N459 PolarHBondContact O-N 2.7Å; A457-A460 PolarHBondContact O-N 3.07Å; A457-C461 WeakPolarHBondContact O-CB 3.25Å; A457-C461 PolarHBondContact O-N 2.74Å; A457-C461 PolarHBondContact O-SG 3.19Å; A457-C461 VanDerWaalsContact O-SG 3.32Å; A457-L482 HydrophobicContact CB-CD1 4.25Å
458P91.4Very high90.3Very high12 Ų1245.2 Ų45.28%0.07826%0.257CS..Hα-helixtrans-56.4-47.6174.5-25.832.8000112.6P391 Y398 M455 A460 C461 E462P391-P458 WeakPolarHBondContact O-CD 3.41Å; Y398-P458 HydrophobicContact CD2-CB 3.99Å; Y398-P458 HydrophobicContact CD2-CG 3.58Å; Y398-P458 HydrophobicContact CE1-CB 4.26Å; Y398-P458 HydrophobicContact CE2-CB 3.68Å; Y398-P458 HydrophobicContact CE2-CG 3.72Å; Y398-P458 HydrophobicContact CG-CB 4.39Å; Y398-P458 HydrophobicContact CG-CG 4.08Å; M455-P458 HydrophobicContact CB-CG 4.21Å; M455-P458 HydrophobicContact CE-CG 3.76Å; M455-P458 WeakPolarHBondContact O-CD 3.38Å; P458-A460 VanDerWaalsContact C-N 3.33Å; P458-A460 PolarHBondContact O-N 2.93Å; P458-C461 PolarHBondContact O-N 3.06Å; P458-E462 WeakPolarHBondContact O-CB 3.45Å; P458-E462 PolarHBondContact O-N 2.7Å
459N91.5Very high90.1Very high58 Ų5842.8 Ų42.831%0.3124%0.244SC..Hα-helixtrans-65.6-36.1-177.2-67.7-8.3000111.9Y452 M455 A457 K463Y452-N459 PolarHBondContact O-ND2 3.44Å; M455-N459 VanDerWaalsContact O-CB 3.3Å; M455-N459 WeakPolarHBondContact O-CB 3.41Å; M455-N459 PolarHBondContact O-N 3.2Å; M455-N459 VanDerWaalsContact O-N 3.08Å; M455-N459 PolarHBondContact O-ND2 2.84Å; A457-N459 VanDerWaalsContact C-N 3.35Å; A457-N459 PolarHBondContact O-N 2.7Å; N459-K463 WeakPolarHBondContact O-CB 3.35Å; N459-K463 WeakPolarHBondContact O-CG 3.42Å; N459-K463 PolarHBondContact O-N 3.15Å; N459-K463 VanDerWaalsContact O-N 3.13Å
460A91.8Very high89.9Confident4 Ų447.5 Ų47.53%0.03327%0.269CS..Hα-helixtrans-72.5-41.1175.200000112.4Y452 A456 A457 P458 E462 K463 A464 I478 L482Y452-A460 HydrophobicContact CD1-CB 3.82Å; Y452-A460 HydrophobicContact CE1-CB 3.62Å; A456-A460 WeakPolarHBondContact O-CB 3.5Å; A456-A460 PolarHBondContact O-N 2.93Å; A457-A460 PolarHBondContact O-N 3.07Å; P458-A460 VanDerWaalsContact C-N 3.33Å; P458-A460 PolarHBondContact O-N 2.93Å; A460-E462 VanDerWaalsContact C-N 3.33Å; A460-E462 PolarHBondContact O-N 3.33Å; A460-K463 PolarHBondContact O-N 3.37Å; A460-A464 WeakPolarHBondContact O-CB 3.44Å; A460-A464 PolarHBondContact O-N 3.44Å; A460-I478 HydrophobicContact CB-CG2 3.48Å; A460-I478 VanDerWaalsContact CB-CG2 3.48Å; A460-L482 HydrophobicContact CB-CD1 3.89Å; A460-L482 HydrophobicContact CB-CD2 4.24Å; A460-L482 HydrophobicContact CB-CG 4.27Å
461C91.7Very high89.9Confident0 Ų047.7 Ų47.70%027%0.267CS..Hα-helixtrans-63.4-38.3176.4-75.20000112.3P395 Y398 A457 P458 N465 V466P395-C461 VanDerWaalsContact CB-SG 3.56Å; Y398-C461 HydrophobicContact CD1-CB 3.79Å; Y398-C461 HydrophobicContact CE1-CB 3.89Å; A457-C461 WeakPolarHBondContact O-CB 3.25Å; A457-C461 PolarHBondContact O-N 2.74Å; A457-C461 PolarHBondContact O-SG 3.19Å; A457-C461 VanDerWaalsContact O-SG 3.32Å; P458-C461 PolarHBondContact O-N 3.06Å; C461-N465 PolarHBondContact O-N 2.97Å; C461-N465 VanDerWaalsContact O-N 3.16Å; C461-V466 HydrophobicContact CB-CB 4.15Å; C461-V466 HydrophobicContact CB-CG2 4.34Å; C461-V466 PolarHBondContact O-N 3.43Å
462E90.5Very high89.9Confident143 Ų14348.8 Ų48.867%0.66826%0.262SS*.Hα-helixtrans-66.2-49174.2-173.8173.2-162.700111.3P458 A460 A464 N465P458-E462 WeakPolarHBondContact O-CB 3.45Å; P458-E462 PolarHBondContact O-N 2.7Å; A460-E462 VanDerWaalsContact C-N 3.33Å; A460-E462 PolarHBondContact O-N 3.33Å; E462-A464 PolarHBondContact O-N 3.11Å; E462-N465 PolarHBondContact O-N 3.24Å
463K90.3Very high90Very high141 Ų14154.9 Ų54.961%0.61329%0.292SS*.Hα-helixtrans-57.1-33.7176.1-75.7174.4-175.5-1780113.2G451 N459 A460G451-K463 PolarHBondContact O-NZ 3.15Å; N459-K463 WeakPolarHBondContact O-CB 3.35Å; N459-K463 WeakPolarHBondContact O-CG 3.42Å; N459-K463 PolarHBondContact O-N 3.15Å; N459-K463 VanDerWaalsContact O-N 3.13Å; A460-K463 PolarHBondContact O-N 3.37Å
464A91.5Very high90.1Very high48 Ų4855.7 Ų55.740%0.39730%0.296SS..THydrogen-bonded Turntrans-92.45.1179.500000114.1A460 E462 V466 I478A460-A464 WeakPolarHBondContact O-CB 3.44Å; A460-A464 PolarHBondContact O-N 3.44Å; E462-A464 PolarHBondContact O-N 3.11Å; A464-V466 HydrophobicContact CB-CG2 4.19Å; A464-V466 PolarHBondContact O-N 3.11Å; A464-I478 HydrophobicContact CB-CD1 3.6Å; A464-I478 HydrophobicContact CB-CG1 4.16Å
465N91.5Very high90.4Very high122 Ų12254.3 Ų54.365%0.65229%0.287SS*.THydrogen-bonded Turntrans5531.3-178.7-66.6-52.5000115.1C461 E462 Q467C461-N465 PolarHBondContact O-N 2.97Å; C461-N465 VanDerWaalsContact O-N 3.16Å; E462-N465 PolarHBondContact O-N 3.24Å; N465-Q467 WeakPolarHBondContact O-CG 3.28Å; N465-Q467 PolarHBondContact O-N 3.13Å; N465-Q467 PolarHBondContact O-NE2 2.8Å; N465-Q467 VanDerWaalsContact O-NE2 3.11Å
466V90.5Very high90.5Very high3 Ų356.4 Ų56.42%0.01831%0.306CS..  trans-62.2123.1177.5175.50000109.7A399 R402 C461 A464 D471 A474 L475 I478A399-V466 HydrophobicContact CB-CG1 4.42Å; R402-V466 VanDerWaalsContact CZ-O 3.24Å; R402-V466 PolarHBondContact NH1-O 3.3Å; R402-V466 PolarHBondContact NH2-O 3.37Å; C461-V466 HydrophobicContact CB-CB 4.15Å; C461-V466 HydrophobicContact CB-CG2 4.34Å; C461-V466 PolarHBondContact O-N 3.43Å; A464-V466 HydrophobicContact CB-CG2 4.19Å; A464-V466 PolarHBondContact O-N 3.11Å; V466-D471 HydrophobicContact CG1-CB 4.21Å; V466-A474 HydrophobicContact CG2-CB 4.19Å; V466-L475 HydrophobicContact CG1-CD2 3.93Å; V466-L475 HydrophobicContact CG1-CG 4.18Å; V466-I478 HydrophobicContact CG2-CD1 3.6Å
467Q89.1Confident90.6Very high121 Ų12158.8 Ų58.857%0.56533%0.326SS*.  trans-104.1-26.6-176.7-61.6-55.3-38.600113.9R402 N465 D471R402-Q467 PolarHBondContact NH2-O 2.83Å; N465-Q467 WeakPolarHBondContact O-CG 3.28Å; N465-Q467 PolarHBondContact O-N 3.13Å; N465-Q467 PolarHBondContact O-NE2 2.8Å; N465-Q467 VanDerWaalsContact O-NE2 3.11Å; Q467-D471 PolarHBondContact N-OD2 3.22Å
468S88.7Confident90.6Very high14 Ų1459.3 Ų59.310%0.09833%0.329CS..SBendtrans-149.2162.9178.8-172.50000112.5D403 N470 D471D403-S468 PolarHBondContact OD2-OG 3.01Å; S468-N470 PolarHBondContact O-N 2.87Å; S468-D471 PolarHBondContact N-OD2 3.12Å; S468-D471 PolarHBondContact O-N 3.29Å; S468-D471 VanDerWaalsContact O-N 3.11Å
469Q87.4Confident90.6Very high8 Ų862.2 Ų62.24%0.03734%0.34CS..THydrogen-bonded Turntrans-58.7-13.217076.7-168.1-89.700113.8A399 A400 D403 D471 L475A399-Q469 HydrophobicContact CB-CB 4.31Å; A400-Q469 HydrophobicContact CB-CB 4.35Å; D403-Q469 WeakPolarHBondContact OD2-CG 3.38Å; D403-Q469 PolarHBondContact OD2-N 3.49Å; D403-Q469 PolarHBondContact OD2-NE2 3.4Å; Q469-D471 VanDerWaalsContact C-N 3.34Å; Q469-L475 WeakPolarHBondContact O-CD1 3.35Å
470N88.5Confident90.5Very high100 Ų10063.6 Ų63.654%0.53535%0.345SS..THydrogen-bonded Turntrans-82.6-7.8177.9-63.6-24.9000113.5S468 T472S468-N470 PolarHBondContact O-N 2.87Å; N470-T472 PolarHBondContact O-N 3.4Å
471D89.6Confident90.5Very high58 Ų5868.6 Ų68.631%0.3137%0.368SS..  trans-77.655.8177.4-58.4-29.8000110.7V466 Q467 S468 Q469 E473 A474 L475V466-D471 HydrophobicContact CG1-CB 4.21Å; Q467-D471 PolarHBondContact N-OD2 3.22Å; S468-D471 PolarHBondContact N-OD2 3.12Å; S468-D471 PolarHBondContact O-N 3.29Å; S468-D471 VanDerWaalsContact O-N 3.11Å; Q469-D471 VanDerWaalsContact C-N 3.34Å; D471-E473 PolarHBondContact O-N 3.48Å; D471-A474 HydrophobicContact CB-CB 4.42Å; D471-A474 PolarHBondContact O-N 3.32Å; D471-L475 WeakPolarHBondContact O-CB 3.35Å; D471-L475 WeakPolarHBondContact O-CG 3.27Å; D471-L475 PolarHBondContact O-N 2.87Å
472T87.9Confident90.5Very high84 Ų8468.7 Ų68.752%0.51537%0.368SS..Hα-helixtrans-60.4-37.2-164.153.80000114.1N470 A476N470-T472 PolarHBondContact O-N 3.4Å; T472-A476 VanDerWaalsContact O-CB 3.28Å; T472-A476 WeakPolarHBondContact O-CB 3.45Å; T472-A476 PolarHBondContact O-N 3.46Å
473E89.7Confident90.4Very high171 Ų17165.3 Ų65.380%0.79935%0.35SS*.Hα-helixtrans-67.4-46.3177.5-65.3-177.5177.400111.8D471 A476 A477D471-E473 PolarHBondContact O-N 3.48Å; E473-A476 PolarHBondContact O-N 3.42Å; E473-A477 PolarHBondContact O-N 2.87Å
474A92.1Very high90.4Very high39 Ų3961.5 Ų61.532%0.32234%0.336SS..Hα-helixtrans-64-44.3177.500000111.1V466 D471 A476 A477 I478V466-A474 HydrophobicContact CG2-CB 4.19Å; D471-A474 HydrophobicContact CB-CB 4.42Å; D471-A474 PolarHBondContact O-N 3.32Å; A474-A476 PolarHBondContact O-N 3.2Å; A474-A477 PolarHBondContact O-N 2.95Å; A474-I478 WeakPolarHBondContact O-CD1 3.37Å; A474-I478 VanDerWaalsContact O-CG1 3.23Å; A474-I478 WeakPolarHBondContact O-CG1 3.25Å; A474-I478 PolarHBondContact O-N 3.01Å
475L92.8Very high90.5Very high1 Ų162.1 Ų62.11%0.00533%0.329CS..Hα-helixtrans-61.9-42176.9-73.2167.6000111.9P395 A399 V466 Q469 D471 I478 K479P395-L475 HydrophobicContact CB-CD2 3.88Å; P395-L475 WeakPolarHBondContact O-CD2 3.47Å; A399-L475 HydrophobicContact CB-CD1 4.26Å; A399-L475 HydrophobicContact CB-CD2 4.01Å; V466-L475 HydrophobicContact CG1-CD2 3.93Å; V466-L475 HydrophobicContact CG1-CG 4.18Å; Q469-L475 WeakPolarHBondContact O-CD1 3.35Å; D471-L475 WeakPolarHBondContact O-CB 3.35Å; D471-L475 WeakPolarHBondContact O-CG 3.27Å; D471-L475 PolarHBondContact O-N 2.87Å; L475-I478 PolarHBondContact O-N 3.48Å; L475-K479 WeakPolarHBondContact O-CB 3.46Å; L475-K479 PolarHBondContact O-N 3.33Å
476A91Very high90.5Very high57 Ų5756.3 Ų56.347%0.47130%0.299SS..Hα-helixtrans-62.4-44176.500000112.1T472 E473 A474 K479 E480T472-A476 VanDerWaalsContact O-CB 3.28Å; T472-A476 WeakPolarHBondContact O-CB 3.45Å; T472-A476 PolarHBondContact O-N 3.46Å; E473-A476 PolarHBondContact O-N 3.42Å; A474-A476 PolarHBondContact O-N 3.2Å; A476-K479 PolarHBondContact O-N 2.94Å; A476-E480 PolarHBondContact O-N 3.42Å
477A92Very high90.6Very high51 Ų5158.6 Ų58.642%0.42131%0.308SS..Hα-helixtrans-63.3-45.3177.600000112.1E473 A474 K479 E480 Q481E473-A477 PolarHBondContact O-N 2.87Å; A474-A477 PolarHBondContact O-N 2.95Å; A477-K479 VanDerWaalsContact C-N 3.34Å; A477-K479 PolarHBondContact O-N 3.46Å; A477-E480 PolarHBondContact O-N 3.3Å; A477-Q481 WeakPolarHBondContact O-CG 3.34Å; A477-Q481 PolarHBondContact O-N 3.41Å
478I92.8Very high90.7Very high10 Ų1057.2 Ų57.25%0.05130%0.299CS..Hα-helixtrans-62.3-44.5176.6-65.5162.5000110.5P395 A460 A464 V466 A474 L475 E480 Q481 L482P395-I478 HydrophobicContact CB-CB 4.33Å; P395-I478 HydrophobicContact CB-CG2 3.77Å; P395-I478 HydrophobicContact CG-CB 4.35Å; P395-I478 HydrophobicContact CG-CG2 3.96Å; A460-I478 HydrophobicContact CB-CG2 3.48Å; A460-I478 VanDerWaalsContact CB-CG2 3.48Å; A464-I478 HydrophobicContact CB-CD1 3.6Å; A464-I478 HydrophobicContact CB-CG1 4.16Å; V466-I478 HydrophobicContact CG2-CD1 3.6Å; A474-I478 WeakPolarHBondContact O-CD1 3.37Å; A474-I478 VanDerWaalsContact O-CG1 3.23Å; A474-I478 WeakPolarHBondContact O-CG1 3.25Å; A474-I478 PolarHBondContact O-N 3.01Å; L475-I478 PolarHBondContact O-N 3.48Å; I478-E480 VanDerWaalsContact C-N 3.35Å; I478-E480 PolarHBondContact O-N 3.42Å; I478-Q481 PolarHBondContact O-N 3.02Å; I478-L482 HydrophobicContact CG2-CD1 3.71Å; I478-L482 HydrophobicContact CG2-CG 4Å; I478-L482 WeakPolarHBondContact O-CB 3.5Å; I478-L482 WeakPolarHBondContact O-CG 3.27Å; I478-L482 PolarHBondContact O-N 3.2Å
479K92Very high91Very high73 Ų7360.7 Ų60.732%0.31731%0.313SS..Hα-helixtrans-59.6-44.9-179.6-175.2-179-165.7155.50111.6P395 D396 L475 A476 A477 Y483P395-K479 HydrophobicContact CG-CB 3.8Å; P395-K479 HydrophobicContact CG-CG 4.45Å; D396-K479 WeakPolarHBondContact OD2-CD 3.4Å; D396-K479 WeakPolarHBondContact OD2-CE 3.35Å; D396-K479 IonicContact OD2-NZ 2.81Å; D396-K479 PolarHBondContact OD2-NZ 3.28Å; L475-K479 WeakPolarHBondContact O-CB 3.46Å; L475-K479 PolarHBondContact O-N 3.33Å; A476-K479 PolarHBondContact O-N 2.94Å; A477-K479 VanDerWaalsContact C-N 3.34Å; A477-K479 PolarHBondContact O-N 3.46Å; K479-Y483 WeakPolarHBondContact O-CB 3.37Å; K479-Y483 PolarHBondContact O-N 3.31Å
480E89.5Confident91.2Very high87 Ų8760.3 Ų60.341%0.40731%0.311SS..Hα-helixtrans-60.9-46.1177.6-177168.3-146.200111.5T130 A476 A477 I478 L484T130-E480 WeakPolarHBondContact CB-OE1 3.45Å; T130-E480 WeakPolarHBondContact CG2-OE1 3.28Å; T130-E480 PolarHBondContact OG1-OE1 3.11Å; A476-E480 PolarHBondContact O-N 3.42Å; A477-E480 PolarHBondContact O-N 3.3Å; I478-E480 VanDerWaalsContact C-N 3.35Å; I478-E480 PolarHBondContact O-N 3.42Å; E480-L484 HydrophobicContact CG-CD1 4.16Å; E480-L484 WeakPolarHBondContact O-CG 3.35Å; E480-L484 PolarHBondContact O-N 3.17Å; E480-L484 VanDerWaalsContact O-N 3.14Å
481Q91.3Very high91.5Very high110 Ų11057.5 Ų57.551%0.51430%0.298SS..Hα-helixtrans-63.9-49.7178.9-69.7-178.5-5.100112.5Y452 A477 I478 K485Y452-Q481 PolarHBondContact OH-OE1 2.94Å; A477-Q481 WeakPolarHBondContact O-CG 3.34Å; A477-Q481 PolarHBondContact O-N 3.41Å; I478-Q481 PolarHBondContact O-N 3.02Å; Q481-K485 VanDerWaalsContact O-CB 3.27Å; Q481-K485 WeakPolarHBondContact O-CB 3.47Å; Q481-K485 PolarHBondContact O-N 3.08Å
482L91.8Very high91.6Very high1 Ų154.7 Ų54.71%0.00528%0.283CS..Hα-helixtrans-66.5-37.5-179.1-71-173.8000112.1Y452 A456 A457 A460 I478 G486Y452-L482 HydrophobicContact CD1-CD2 3.9Å; Y452-L482 HydrophobicContact CD2-CD2 3.61Å; Y452-L482 HydrophobicContact CE1-CD2 4.02Å; Y452-L482 HydrophobicContact CE2-CD2 3.73Å; Y452-L482 HydrophobicContact CG-CD2 3.7Å; A456-L482 HydrophobicContact CB-CD1 4.41Å; A456-L482 HydrophobicContact CB-CD2 3.98Å; A457-L482 HydrophobicContact CB-CD1 4.25Å; A460-L482 HydrophobicContact CB-CD1 3.89Å; A460-L482 HydrophobicContact CB-CD2 4.24Å; A460-L482 HydrophobicContact CB-CG 4.27Å; I478-L482 HydrophobicContact CG2-CD1 3.71Å; I478-L482 HydrophobicContact CG2-CG 4Å; I478-L482 WeakPolarHBondContact O-CB 3.5Å; I478-L482 WeakPolarHBondContact O-CG 3.27Å; I478-L482 PolarHBondContact O-N 3.2Å; L482-G486 WeakPolarHBondContact O-CA 3.35Å; L482-G486 PolarHBondContact O-N 3.16Å
483Y88.7Confident91.7Very high73 Ų7354.3 Ų54.329%0.28628%0.277SS..Hα-helixtrans-64.8-48.5178.7-168.9-81.5000111.4R292 K479 F487 K506R292-Y483 HydrophobicContact CG-CD2 4.16Å; R292-Y483 HydrophobicContact CG-CE2 3.51Å; K479-Y483 WeakPolarHBondContact O-CB 3.37Å; K479-Y483 PolarHBondContact O-N 3.31Å; Y483-F487 WeakPolarHBondContact O-CB 3.15Å; Y483-F487 PolarHBondContact O-N 2.91Å; Y483-F487 VanDerWaalsContact O-N 3.09Å; Y483-K506 PolarHBondContact OH-NZ 3.37Å
484L90.7Very high91.5Very high61 Ų6148.2 Ų48.232%0.31925%0.251SS..Hα-helixtrans-64.9-49.8178.7-72.6171.3000111.1L132 E480 F487 Y488L132-L484 HydrophobicContact CD2-CD2 4.5Å; E480-L484 HydrophobicContact CG-CD1 4.16Å; E480-L484 WeakPolarHBondContact O-CG 3.35Å; E480-L484 PolarHBondContact O-N 3.17Å; E480-L484 VanDerWaalsContact O-N 3.14Å; L484-F487 PolarHBondContact O-N 3.38Å; L484-Y488 VanDerWaalsContact O-CD2 3.25Å; L484-Y488 WeakPolarHBondContact O-CD2 3.33Å; L484-Y488 PolarHBondContact O-N 3.02Å
485K93.2Very high91.1Very high60 Ų6048.3 Ų48.326%0.26126%0.257SS..Hα-helixtrans-66.3-42.8-178.2-161.7174.3-168.9-179.30112I449 P450 Y452 Q481 F487 Y488 E489 G490I449-K485 HydrophobicContact CG2-CB 4.08Å; I449-K485 HydrophobicContact CG2-CD 3.89Å; I449-K485 HydrophobicContact CG2-CG 3.74Å; P450-K485 WeakPolarHBondContact O-CE 3.5Å; P450-K485 PolarHBondContact O-NZ 2.91Å; Y452-K485 HydrophobicContact CD2-CD 4.13Å; Y452-K485 HydrophobicContact CE2-CD 3.99Å; Q481-K485 VanDerWaalsContact O-CB 3.27Å; Q481-K485 WeakPolarHBondContact O-CB 3.47Å; Q481-K485 PolarHBondContact O-N 3.08Å; K485-F487 VanDerWaalsContact C-N 3.26Å; K485-F487 PolarHBondContact O-N 3.48Å; K485-Y488 PolarHBondContact O-N 3.27Å; K485-E489 WeakPolarHBondContact CE-OE2 3.43Å; K485-E489 HydrophobicContact CG-CB 4.32Å; K485-E489 HydrophobicContact CG-CG 4.47Å; K485-E489 IonicContact NZ-OE2 2.79Å; K485-E489 WeakPolarHBondContact O-CA 3.48Å; K485-E489 WeakPolarHBondContact O-CB 3.4Å; K485-E489 PolarHBondContact O-N 3.11Å; K485-G490 PolarHBondContact O-N 3.12Å
486G91.7Very high90.7Very high1 Ų152.3 Ų52.31%0.0128%0.275CS..Hα-helixtrans-62.6-31.4176.700000113.3L482 G490L482-G486 WeakPolarHBondContact O-CA 3.35Å; L482-G486 PolarHBondContact O-N 3.16Å; G486-G490 VanDerWaalsContact O-CA 3.26Å; G486-G490 WeakPolarHBondContact O-CA 3.49Å; G486-G490 PolarHBondContact O-N 3.13Å
487F91.8Very high90.6Very high51 Ų5150.2 Ų50.222%0.22426%0.255CS..Hα-helixtrans-70-46.1175.8-177.2-107.3000112.9Y483 L484 K485 I502 Q503 K506Y483-F487 WeakPolarHBondContact O-CB 3.15Å; Y483-F487 PolarHBondContact O-N 2.91Å; Y483-F487 VanDerWaalsContact O-N 3.09Å; L484-F487 PolarHBondContact O-N 3.38Å; K485-F487 VanDerWaalsContact C-N 3.26Å; K485-F487 PolarHBondContact O-N 3.48Å; F487-I502 HydrophobicContact CD2-CG2 4.38Å; F487-Q503 HydrophobicContact CE1-CB 4.34Å; F487-Q503 HydrophobicContact CE1-CG 3.92Å; F487-Q503 HydrophobicContact CE2-CB 4.42Å; F487-Q503 HydrophobicContact CE2-CG 4.47Å; F487-Q503 HydrophobicContact CZ-CB 4.19Å; F487-Q503 HydrophobicContact CZ-CG 3.8Å; F487-Q503 WeakPolarHBondContact O-CB 3.22Å; F487-Q503 PolarHBondContact O-N 3.21Å; F487-K506 HydrophobicContact CD2-CD 4.3Å; F487-K506 HydrophobicContact CE2-CD 4Å
488Y92.4Very high90.5Very high92 Ų9250.3 Ų50.336%0.36126%0.256SS..Hα-helixtrans-86.7-39.2-174.4-70.8-69.1000114.3L132 L484 K485L132-Y488 VanDerWaalsContact CD1-OH 3.26Å; L132-Y488 WeakPolarHBondContact CD1-OH 3.34Å; L484-Y488 VanDerWaalsContact O-CD2 3.25Å; L484-Y488 WeakPolarHBondContact O-CD2 3.33Å; L484-Y488 PolarHBondContact O-N 3.02Å; K485-Y488 PolarHBondContact O-N 3.27Å
489E93.8Very high90.4Very high86 Ų8652.7 Ų52.740%0.40228%0.284SS..THydrogen-bonded Turntrans-110.1-18.5-172.2-63.8177-146.400112.8P450 K485P450-E489 WeakPolarHBondContact CD-O 3.2Å; P450-E489 HydrophobicContact CG-CB 4.12Å; K485-E489 WeakPolarHBondContact CE-OE2 3.43Å; K485-E489 HydrophobicContact CG-CB 4.32Å; K485-E489 HydrophobicContact CG-CG 4.47Å; K485-E489 IonicContact NZ-OE2 2.79Å; K485-E489 WeakPolarHBondContact O-CA 3.48Å; K485-E489 WeakPolarHBondContact O-CB 3.4Å; K485-E489 PolarHBondContact O-N 3.11Å
490G92.9Very high90.4Very high0 Ų054.3 Ų54.30%029%0.291CS..  trans-63136-177.700000112.7D448 K485 G486 K501 I502D448-G490 WeakPolarHBondContact O-CA 3.43Å; K485-G490 PolarHBondContact O-N 3.12Å; G486-G490 VanDerWaalsContact O-CA 3.26Å; G486-G490 WeakPolarHBondContact O-CA 3.49Å; G486-G490 PolarHBondContact O-N 3.13Å; G490-K501 WeakPolarHBondContact O-CA 3.44Å; G490-I502 PolarHBondContact O-N 3.16Å
491V93.5Very high90.7Very high41 Ų4155.9 Ų55.925%0.24830%0.296CS..EExtended strand (participates in β ladder)trans-112.4127.1175.2-179.40000108.9I447 D448I447-V491 CarbonylContact C-O 3.58Å; I447-V491 WeakPolarHBondContact CA-O 3.5Å; D448-V491 PolarHBondContact N-O 3.07Å; D448-V491 PolarHBondContact O-N 2.96Å
492L91.4Very high90.7Very high0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-69.1134.2177.1-164.874000109.9Y297 V446 I447 V494 F497 A498 G499 K500 I502 I509Y297-L492 HydrophobicContact CE2-CD2 4.42Å; V446-L492 HydrophobicContact CG1-CD1 3.77Å; V446-L492 WeakPolarHBondContact O-CD1 3.38Å; I447-L492 HydrophobicContact CG1-CD1 4.29Å; L492-V494 WeakPolarHBondContact CD2-O 3.17Å; L492-V494 WeakPolarHBondContact CG-O 3.49Å; L492-F497 HydrophobicContact CD2-CB 3.69Å; L492-A498 CarbonylContact O-C 3.56Å; L492-A498 WeakPolarHBondContact O-CA 3.44Å; L492-G499 PolarHBondContact O-N 3.02Å; L492-K500 PolarHBondContact N-O 3.38Å; L492-I502 HydrophobicContact CB-CD1 3.91Å; L492-I502 HydrophobicContact CD1-CD1 3.87Å; L492-I502 HydrophobicContact CG-CD1 4.49Å; L492-I509 HydrophobicContact CD2-CD1 3.94Å
493L89.8Confident90.7Very high75 Ų7555.7 Ų55.739%0.39330%0.295SS..  trans-101.7-15.8-177.9-63.9175.4000113.4P445 V446 D448P445-L493 HydrophobicContact CB-CD1 3.86Å; V446-L493 PolarHBondContact O-N 3.02Å; D448-L493 HydrophobicContact CB-CD1 4.02Å; D448-L493 HydrophobicContact CB-CD2 3.95Å; D448-L493 HydrophobicContact CB-CG 4.13Å
494V85.7Confident90.9Very high43 Ų4356.1 Ų56.126%0.26131%0.314SS..SBendtrans-129.7159.4-168.8-65.40000112.3Y297 P445 V446 L492Y297-V494 HydrophobicContact CD1-CG2 4.17Å; Y297-V494 HydrophobicContact CD2-CG2 3.67Å; Y297-V494 HydrophobicContact CE2-CG2 4.36Å; Y297-V494 HydrophobicContact CG-CB 4.49Å; Y297-V494 HydrophobicContact CG-CG2 3.54Å; P445-V494 WeakPolarHBondContact O-CG1 3.38Å; V446-V494 HydrophobicContact CB-CG2 4.34Å; V446-V494 HydrophobicContact CG1-CG2 3.81Å; L492-V494 WeakPolarHBondContact CD2-O 3.17Å; L492-V494 WeakPolarHBondContact CG-O 3.49Å
495G84.1Confident91Very high42 Ų4253.5 Ų53.543%0.43330%0.3SS..G310 helixtrans74.2-171.5177.700000114.1F497 A498G495-F497 PolarHBondContact O-N 2.79Å; G495-F497 VanDerWaalsContact O-N 3.09Å; G495-A498 WeakPolarHBondContact O-CB 3Å; G495-A498 PolarHBondContact O-N 2.88Å; G495-A498 VanDerWaalsContact O-N 3.13Å
496E85.6Confident90.9Very high85 Ų8552.2 Ų52.240%0.39730%0.295SS..G310 helixtrans-65.8-11.5-174.369.4-157.6155.600114.8R512 R516E496-R512 WeakPolarHBondContact OE1-CD 3.13Å; E496-R512 IonicContact OE1-CZ 3.3Å; E496-R512 IonicContact OE1-NE 3.48Å; E496-R512 IonicContact OE1-NH1 3.14Å; E496-R512 PolarHBondContact OE1-NH1 3.04Å; E496-R512 IonicContact OE2-CZ 2.69Å; E496-R512 IonicContact OE2-NH1 3.82Å; E496-R512 PolarHBondContact OE2-NH1 3.21Å; E496-R516 IonicContact OE1-NH2 2.7Å; E496-R516 PolarHBondContact OE1-NH2 3.17Å; E496-R516 IonicContact OE2-NH2 3.41Å; E496-R516 PolarHBondContact OE2-NH2 3.23Å
497F88.6Confident90.9Very high12 Ų1260.4 Ų60.45%0.05333%0.33CS..G310 helixtrans-111.314178.7-62-73000113.2L492 G495 G499 K500 V505 E508 I509L492-F497 HydrophobicContact CD2-CB 3.69Å; G495-F497 PolarHBondContact O-N 2.79Å; G495-F497 VanDerWaalsContact O-N 3.09Å; F497-G499 PolarHBondContact O-N 3.28Å; F497-K500 HydrophobicContact CB-CD 4.48Å; F497-K500 HydrophobicContact CD1-CD 4.08Å; F497-K500 WeakPolarHBondContact O-CB 3.39Å; F497-K500 PolarHBondContact O-N 3.14Å; F497-K500 VanDerWaalsContact O-N 3.12Å; F497-V505 HydrophobicContact CB-CB 4.16Å; F497-V505 HydrophobicContact CB-CG1 4.04Å; F497-V505 HydrophobicContact CB-CG2 4.33Å; F497-V505 HydrophobicContact CD1-CB 4.19Å; F497-V505 HydrophobicContact CD1-CG1 3.79Å; F497-V505 HydrophobicContact CG-CB 4.09Å; F497-V505 HydrophobicContact CG-CG1 4.07Å; F497-E508 HydrophobicContact CE1-CG 3.87Å; F497-E508 HydrophobicContact CE2-CG 4.16Å; F497-E508 HydrophobicContact CZ-CB 4.16Å; F497-E508 HydrophobicContact CZ-CG 3.32Å; F497-I509 HydrophobicContact CD2-CD1 4.13Å; F497-I509 HydrophobicContact CD2-CG1 3.49Å; F497-I509 VanDerWaalsContact CD2-CG1 3.49Å; F497-I509 HydrophobicContact CE2-CG1 3.78Å; F497-I509 HydrophobicContact CG-CG1 4.39Å
498A89.3Confident91Very high53 Ų5361.1 Ų61.144%0.43833%0.334SS..THydrogen-bonded Turntrans-51.1137.3176.100000111.4L492 G495L492-A498 CarbonylContact O-C 3.56Å; L492-A498 WeakPolarHBondContact O-CA 3.44Å; G495-A498 WeakPolarHBondContact O-CB 3Å; G495-A498 PolarHBondContact O-N 2.88Å; G495-A498 VanDerWaalsContact O-N 3.13Å
499G90.2Very high91Very high61 Ų6156.9 Ų56.963%0.62932%0.318SS*.THydrogen-bonded Turntrans85.4-4.2-175.500000115.5L492 F497L492-G499 PolarHBondContact O-N 3.02Å; F497-G499 PolarHBondContact O-N 3.28Å
500K93.5Very high91Very high107 Ų10754.6 Ų54.647%0.46531%0.307SS..SBendtrans-99.3150180-63.7-178.8178.9177.50112.6L492 F497 V505L492-K500 PolarHBondContact N-O 3.38Å; F497-K500 HydrophobicContact CB-CD 4.48Å; F497-K500 HydrophobicContact CD1-CD 4.08Å; F497-K500 WeakPolarHBondContact O-CB 3.39Å; F497-K500 PolarHBondContact O-N 3.14Å; F497-K500 VanDerWaalsContact O-N 3.12Å; K500-V505 HydrophobicContact CB-CG1 3.57Å; K500-V505 HydrophobicContact CD-CG1 3.65Å; K500-V505 HydrophobicContact CG-CG1 4.26Å
501K94.5Very high91.1Very high119 Ų11959.8 Ų59.852%0.51733%0.33SS..BIsolated β-bridgetrans-67.7138.8174.6-70.7-169.4174-169.60112G490 Q503 A504 V505G490-K501 WeakPolarHBondContact O-CA 3.44Å; K501-Q503 VanDerWaalsContact C-N 3.34Å; K501-Q503 PolarHBondContact O-N 3.25Å; K501-A504 PolarHBondContact O-N 2.99Å; K501-V505 PolarHBondContact O-N 2.94Å
502I91.6Very high91Very high0 Ų061.5 Ų61.50%033%0.332CS..Hα-helixtrans-55.6-44.4-177.7-62-50.5000112.8E294 I447 F487 G490 L492 A504 V505 K506E294-I502 HydrophobicContact CB-CD1 4.32Å; E294-I502 HydrophobicContact CG-CD1 4.11Å; E294-I502 HydrophobicContact CG-CG2 3.78Å; I447-I502 HydrophobicContact CD1-CD1 3.9Å; I447-I502 HydrophobicContact CD1-CG1 4.06Å; I447-I502 HydrophobicContact CG1-CD1 4.03Å; I447-I502 HydrophobicContact CG1-CG1 4.47Å; I447-I502 HydrophobicContact CG2-CD1 4.28Å; I447-I502 HydrophobicContact CG2-CG1 4.01Å; F487-I502 HydrophobicContact CD2-CG2 4.38Å; G490-I502 PolarHBondContact O-N 3.16Å; L492-I502 HydrophobicContact CB-CD1 3.91Å; L492-I502 HydrophobicContact CD1-CD1 3.87Å; L492-I502 HydrophobicContact CG-CD1 4.49Å; I502-A504 PolarHBondContact O-N 2.98Å; I502-A504 VanDerWaalsContact O-N 3.1Å; I502-V505 PolarHBondContact O-N 3.19Å; I502-K506 HydrophobicContact CG2-CB 4.32Å; I502-K506 WeakPolarHBondContact O-CB 3.28Å; I502-K506 PolarHBondContact O-N 3.1Å
503Q92.3Very high91Very high107 Ų10762.6 Ų62.650%0.534%0.337SS..Hα-helixtrans-51.5-36.2177.7-173.6178.42600113.2F487 K501F487-Q503 HydrophobicContact CE1-CB 4.34Å; F487-Q503 HydrophobicContact CE1-CG 3.92Å; F487-Q503 HydrophobicContact CE2-CB 4.42Å; F487-Q503 HydrophobicContact CE2-CG 4.47Å; F487-Q503 HydrophobicContact CZ-CB 4.19Å; F487-Q503 HydrophobicContact CZ-CG 3.8Å; F487-Q503 WeakPolarHBondContact O-CB 3.22Å; F487-Q503 PolarHBondContact O-N 3.21Å; K501-Q503 VanDerWaalsContact C-N 3.34Å; K501-Q503 PolarHBondContact O-N 3.25Å
504A92Very high91.2Very high83 Ų8362.5 Ų62.569%0.68634%0.339SS*.Hα-helixtrans-81.3-26.3-177.400000113.4K501 I502K501-A504 PolarHBondContact O-N 2.99Å; I502-A504 PolarHBondContact O-N 2.98Å; I502-A504 VanDerWaalsContact O-N 3.1Å
505V92.9Very high91.4Very high5 Ų564.8 Ų64.83%0.0335%0.347CS..Hα-helixtrans-113.8-17.4-169.2-59.30000114.6F497 K500 K501 I502 K507 E508 I509F497-V505 HydrophobicContact CB-CB 4.16Å; F497-V505 HydrophobicContact CB-CG1 4.04Å; F497-V505 HydrophobicContact CB-CG2 4.33Å; F497-V505 HydrophobicContact CD1-CB 4.19Å; F497-V505 HydrophobicContact CD1-CG1 3.79Å; F497-V505 HydrophobicContact CG-CB 4.09Å; F497-V505 HydrophobicContact CG-CG1 4.07Å; K500-V505 HydrophobicContact CB-CG1 3.57Å; K500-V505 HydrophobicContact CD-CG1 3.65Å; K500-V505 HydrophobicContact CG-CG1 4.26Å; K501-V505 PolarHBondContact O-N 2.94Å; I502-V505 PolarHBondContact O-N 3.19Å; V505-K507 PolarHBondContact O-N 3.02Å; V505-E508 PolarHBondContact O-N 3.33Å; V505-I509 HydrophobicContact CB-CD1 4.2Å; V505-I509 HydrophobicContact CG2-CD1 3.81Å; V505-I509 WeakPolarHBondContact O-CG1 3.31Å; V505-I509 PolarHBondContact O-N 2.98Å
506K90.9Very high91.7Very high33 Ų3369.2 Ų69.214%0.14335%0.351CS..Hα-helixtrans-50-49.1-176176.2170.8-172.4171.40114.1L291 P293 E294 Y483 F487 I502 Q510L291-K506 WeakPolarHBondContact O-CE 3.39Å; L291-K506 PolarHBondContact O-NZ 2.82Å; P293-K506 HydrophobicContact CG-CG 4.37Å; E294-K506 WeakPolarHBondContact OE2-CE 3.44Å; E294-K506 WeakPolarHBondContact OE2-CG 3.32Å; Y483-K506 PolarHBondContact OH-NZ 3.37Å; F487-K506 HydrophobicContact CD2-CD 4.3Å; F487-K506 HydrophobicContact CE2-CD 4Å; I502-K506 HydrophobicContact CG2-CB 4.32Å; I502-K506 WeakPolarHBondContact O-CB 3.28Å; I502-K506 PolarHBondContact O-N 3.1Å; K506-Q510 PolarHBondContact O-N 3.23Å
507K92.6Very high91.7Very high174 Ų17467.1 Ų67.176%0.75735%0.348SS*.Hα-helixtrans-68.2-36.7180-72.8-171.7176-175.90112.6V505 Q510 K511V505-K507 PolarHBondContact O-N 3.02Å; K507-Q510 PolarHBondContact O-N 2.61Å; K507-K511 WeakPolarHBondContact O-CB 3.28Å; K507-K511 PolarHBondContact O-N 3.45Å
508E93.2Very high91.3Very high66 Ų6671.9 Ų71.931%0.30837%0.373SS..Hα-helixtrans-70.7-40.1179.1-177.565.4-165.500110.9F497 V505 K511 R512F497-E508 HydrophobicContact CE1-CG 3.87Å; F497-E508 HydrophobicContact CE2-CG 4.16Å; F497-E508 HydrophobicContact CZ-CB 4.16Å; F497-E508 HydrophobicContact CZ-CG 3.32Å; V505-E508 PolarHBondContact O-N 3.33Å; E508-K511 PolarHBondContact O-N 3.49Å; E508-R512 WeakPolarHBondContact O-CG 3.45Å; E508-R512 PolarHBondContact O-N 3.42Å; E508-R512 IonicContact OE1-CZ 3.52Å; E508-R512 IonicContact OE1-NE 2.64Å; E508-R512 PolarHBondContact OE1-NE 3.41Å; E508-R512 VanDerWaalsContact OE1-NE 3.09Å; E508-R512 IonicContact OE1-NH2 3.76Å; E508-R512 PolarHBondContact OE1-NH2 3.36Å
509I92.6Very high90.7Very high2 Ų274.3 Ų74.31%0.0139%0.387CS..Hα-helixtrans-59.9-48.8172.4-66.3167.5000110.2E294 M364 L492 F497 V505 K511 R512 M513E294-I509 HydrophobicContact CB-CD1 3.87Å; M364-I509 HydrophobicContact CE-CG2 4.11Å; L492-I509 HydrophobicContact CD2-CD1 3.94Å; F497-I509 HydrophobicContact CD2-CD1 4.13Å; F497-I509 HydrophobicContact CD2-CG1 3.49Å; F497-I509 VanDerWaalsContact CD2-CG1 3.49Å; F497-I509 HydrophobicContact CE2-CG1 3.78Å; F497-I509 HydrophobicContact CG-CG1 4.39Å; V505-I509 HydrophobicContact CB-CD1 4.2Å; V505-I509 HydrophobicContact CG2-CD1 3.81Å; V505-I509 WeakPolarHBondContact O-CG1 3.31Å; V505-I509 PolarHBondContact O-N 2.98Å; I509-K511 VanDerWaalsContact C-N 3.31Å; I509-K511 PolarHBondContact O-N 3.21Å; I509-R512 PolarHBondContact O-N 2.72Å; I509-M513 HydrophobicContact CG2-CG 4.42Å; I509-M513 HydrophobicContact CG2-SD 4.32Å; I509-M513 WeakPolarHBondContact O-CG 3.4Å; I509-M513 PolarHBondContact O-N 3.47Å
510Q93.7Very high89.7Confident39 Ų3975.4 Ų75.418%0.18239%0.39CS..Hα-helixtrans-55-47.3176.2-174.9-172.321.200111.5E259 T261 P293 K506 K507 M513 V514E259-Q510 PolarHBondContact OE1-NE2 2.86Å; T261-Q510 HydrophobicContact CG2-CG 4.4Å; T261-Q510 WeakPolarHBondContact OG1-CG 3.5Å; T261-Q510 PolarHBondContact OG1-NE2 3.42Å; P293-Q510 HydrophobicContact CB-CB 4.31Å; P293-Q510 HydrophobicContact CG-CB 3.91Å; P293-Q510 HydrophobicContact CG-CG 4.35Å; K506-Q510 PolarHBondContact O-N 3.23Å; K507-Q510 PolarHBondContact O-N 2.61Å; Q510-M513 WeakPolarHBondContact O-CB 3.25Å; Q510-M513 PolarHBondContact O-N 3.5Å; Q510-V514 WeakPolarHBondContact O-CG2 3.41Å; Q510-V514 PolarHBondContact O-N 3.4Å; Q510-V514 VanDerWaalsContact O-N 3.09Å
511K94.1Very high87.9Confident109 Ų10976.1 Ų76.147%0.47440%0.399SS..Hα-helixtrans-59.4-48.3178.4-179.1-178.1168-170.10111.6K507 E508 I509 M513 V514 E515K507-K511 WeakPolarHBondContact O-CB 3.28Å; K507-K511 PolarHBondContact O-N 3.45Å; E508-K511 PolarHBondContact O-N 3.49Å; I509-K511 VanDerWaalsContact C-N 3.31Å; I509-K511 PolarHBondContact O-N 3.21Å; K511-M513 VanDerWaalsContact C-N 3.34Å; K511-M513 PolarHBondContact O-N 3.35Å; K511-V514 PolarHBondContact O-N 2.99Å; K511-V514 VanDerWaalsContact O-N 3.16Å; K511-E515 WeakPolarHBondContact CE-OE1 3.46Å; K511-E515 IonicContact NZ-OE1 3.98Å; K511-E515 WeakPolarHBondContact O-CG 3.35Å; K511-E515 PolarHBondContact O-N 3.1Å
512R91.9Very high87.6Confident76 Ų7674 Ų7429%0.28739%0.393SS..Hα-helixtrans-64.1-36.4178.4-71.3-176.4-172.1-160.13.8112.9E496 E508 I509 V514 E515 R516E496-R512 WeakPolarHBondContact OE1-CD 3.13Å; E496-R512 IonicContact OE1-CZ 3.3Å; E496-R512 IonicContact OE1-NE 3.48Å; E496-R512 IonicContact OE1-NH1 3.14Å; E496-R512 PolarHBondContact OE1-NH1 3.04Å; E496-R512 IonicContact OE2-CZ 2.69Å; E496-R512 IonicContact OE2-NH1 3.82Å; E496-R512 PolarHBondContact OE2-NH1 3.21Å; E508-R512 WeakPolarHBondContact O-CG 3.45Å; E508-R512 PolarHBondContact O-N 3.42Å; E508-R512 IonicContact OE1-CZ 3.52Å; E508-R512 IonicContact OE1-NE 2.64Å; E508-R512 PolarHBondContact OE1-NE 3.41Å; E508-R512 VanDerWaalsContact OE1-NE 3.09Å; E508-R512 IonicContact OE1-NH2 3.76Å; E508-R512 PolarHBondContact OE1-NH2 3.36Å; I509-R512 PolarHBondContact O-N 2.72Å; R512-V514 VanDerWaalsContact C-N 3.34Å; R512-E515 PolarHBondContact O-N 3.46Å; R512-R516 WeakPolarHBondContact O-CB 3.41Å; R512-R516 VanDerWaalsContact O-CG 3.28Å; R512-R516 WeakPolarHBondContact O-CG 3.32Å; R512-R516 PolarHBondContact O-N 3.23Å
513M92.5Very high87.4Confident23 Ų2377.9 Ų77.911%0.11341%0.414CS..Hα-helixtrans-59.7-45.9172.8-73.9-1797500111.4V263 P293 M296 M364 I509 Q510 K511 A517V263-M513 HydrophobicContact CG2-CE 4.27Å; P293-M513 HydrophobicContact CB-SD 3.69Å; M296-M513 HydrophobicContact CB-CE 4.23Å; M296-M513 HydrophobicContact CG-CE 3.85Å; M296-M513 HydrophobicContact CG-SD 4.33Å; M364-M513 HydrophobicContact SD-CE 3.78Å; M364-M513 HydrophobicContact SD-CG 3.42Å; M364-M513 WeakPolarHBondContact SD-CG 3.31Å; M364-M513 HydrophobicContact SD-SD 3.53Å; I509-M513 HydrophobicContact CG2-CG 4.42Å; I509-M513 HydrophobicContact CG2-SD 4.32Å; I509-M513 WeakPolarHBondContact O-CG 3.4Å; I509-M513 PolarHBondContact O-N 3.47Å; Q510-M513 WeakPolarHBondContact O-CB 3.25Å; Q510-M513 PolarHBondContact O-N 3.5Å; K511-M513 VanDerWaalsContact C-N 3.34Å; K511-M513 PolarHBondContact O-N 3.35Å; M513-A517 WeakPolarHBondContact O-CB 3.47Å; M513-A517 PolarHBondContact O-N 2.68Å
514V92.2Very high87.1Confident73 Ų7376.3 Ų76.344%0.44241%0.409SS..Hα-helixtrans-65.3-46.4178.71730000110.9Q510 K511 R512 R516 A517 I518Q510-V514 WeakPolarHBondContact O-CG2 3.41Å; Q510-V514 PolarHBondContact O-N 3.4Å; Q510-V514 VanDerWaalsContact O-N 3.09Å; K511-V514 PolarHBondContact O-N 2.99Å; K511-V514 VanDerWaalsContact O-N 3.16Å; R512-V514 VanDerWaalsContact C-N 3.34Å; V514-R516 PolarHBondContact O-N 3.04Å; V514-A517 PolarHBondContact O-N 3.29Å; V514-I518 HydrophobicContact CG1-CD1 3.74Å; V514-I518 HydrophobicContact CG1-CG1 4.42Å; V514-I518 VanDerWaalsContact O-CG1 3.31Å; V514-I518 WeakPolarHBondContact O-CG1 3.41Å; V514-I518 PolarHBondContact O-N 2.73Å
515E91.8Very high86.8Confident91 Ų9175.9 Ų75.943%0.42539%0.393SS..Hα-helixtrans-59.1-47.8178-72.6171.1170.800111.8K511 R512 A517 I518 S519K511-E515 WeakPolarHBondContact CE-OE1 3.46Å; K511-E515 IonicContact NZ-OE1 3.98Å; K511-E515 WeakPolarHBondContact O-CG 3.35Å; K511-E515 PolarHBondContact O-N 3.1Å; R512-E515 PolarHBondContact O-N 3.46Å; E515-A517 VanDerWaalsContact C-N 3.31Å; E515-A517 PolarHBondContact O-N 3.34Å; E515-I518 PolarHBondContact O-N 2.69Å; E515-S519 PolarHBondContact O-N 2.72Å; E515-S519 PolarHBondContact O-OG 2.72Å; E515-S519 VanDerWaalsContact O-OG 3.14Å
516R89.2Confident86.4Confident135 Ų13580.3 Ų80.351%0.50942%0.416SS..Hα-helixtrans-61-39.5176.2-72.2176.8-172.9171.68.1112.4E496 R512 V514 I518 S519 A520E496-R516 IonicContact OE1-NH2 2.7Å; E496-R516 PolarHBondContact OE1-NH2 3.17Å; E496-R516 IonicContact OE2-NH2 3.41Å; E496-R516 PolarHBondContact OE2-NH2 3.23Å; R512-R516 WeakPolarHBondContact O-CB 3.41Å; R512-R516 VanDerWaalsContact O-CG 3.28Å; R512-R516 WeakPolarHBondContact O-CG 3.32Å; R512-R516 PolarHBondContact O-N 3.23Å; V514-R516 PolarHBondContact O-N 3.04Å; R516-I518 VanDerWaalsContact C-N 3.33Å; R516-S519 PolarHBondContact O-N 2.88Å; R516-A520 WeakPolarHBondContact O-CB 3.28Å; R516-A520 PolarHBondContact O-N 3.44Å; R516-A520 VanDerWaalsContact O-N 3.13Å
517A85.5Confident86.1Confident42 Ų4283.5 Ų83.535%0.34743%0.434SS..Hα-helixtrans-68.9-32177.900000112.6M513 V514 E515 N521M513-A517 WeakPolarHBondContact O-CB 3.47Å; M513-A517 PolarHBondContact O-N 2.68Å; V514-A517 PolarHBondContact O-N 3.29Å; E515-A517 VanDerWaalsContact C-N 3.31Å; E515-A517 PolarHBondContact O-N 3.34Å; A517-N521 PolarHBondContact O-ND2 3.48Å
518I80.8Confident85.7Confident111 Ų11177 Ų7757%0.56941%0.411SS*.Hα-helixtrans-72.9-44.2174.3-68166.9000110.3V514 E515 R516 A520 N521V514-I518 HydrophobicContact CG1-CD1 3.74Å; V514-I518 HydrophobicContact CG1-CG1 4.42Å; V514-I518 VanDerWaalsContact O-CG1 3.31Å; V514-I518 WeakPolarHBondContact O-CG1 3.41Å; V514-I518 PolarHBondContact O-N 2.73Å; E515-I518 PolarHBondContact O-N 2.69Å; R516-I518 VanDerWaalsContact C-N 3.33Å; I518-A520 PolarHBondContact O-N 3.45Å; I518-N521 PolarHBondContact O-N 2.71Å
519S76.2Confident85.1Confident105 Ų10577.8 Ų77.873%0.73442%0.419SS*.Hα-helixtrans-67.3-17.7178.8-59.10000114.3E515 R516E515-S519 PolarHBondContact O-N 2.72Å; E515-S519 PolarHBondContact O-OG 2.72Å; E515-S519 VanDerWaalsContact O-OG 3.14Å; R516-S519 PolarHBondContact O-N 2.88Å
520A69.4Low84.5Confident84 Ų8484.2 Ų84.269%0.69445%0.453SS*.THydrogen-bonded Turntrans-86.9-12.8176.300000113.9R516 I518R516-A520 WeakPolarHBondContact O-CB 3.28Å; R516-A520 PolarHBondContact O-N 3.44Å; R516-A520 VanDerWaalsContact O-N 3.13Å; I518-A520 PolarHBondContact O-N 3.45Å
521N56.3Low83.6Confident122 Ų12288.3 Ų88.365%0.65248%0.477SS*.  trans-97.40173.4-53.4-44.6000110.6K264 A517 I518K264-N521 PolarHBondContact NZ-OD1 3.34Å; A517-N521 PolarHBondContact O-ND2 3.48Å; I518-N521 PolarHBondContact O-N 2.71Å

Retrieved 521 of 521 residues in 861.1 ms (Link to these results)

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