A0A077ZEY3_TRITR Loading...

Helix-turn-helix domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZEY3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 268 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
1M69.6Low90.2Very high141 Ų14170.4 Ų70.470%0.69541%0.407SS*.  0-33.60-69.4-55.8-83.800114.6V3 K4 R5 F44M1-V3 PolarHBondContact O-N 2.95Å; M1-K4 PolarHBondContact O-N 2.98Å; M1-K4 HydrophobicContact SD-CD 4.49Å; M1-R5 PolarHBondContact O-N 3.18Å; M1-R5 VanDerWaalsContact O-N 3.09Å; M1-F44 HydrophobicContact CE-CD2 3.5Å; M1-F44 VanDerWaalsContact CE-CD2 3.5Å; M1-F44 HydrophobicContact CE-CE2 3.49Å; M1-F44 VanDerWaalsContact CE-CE2 3.49Å; M1-F44 HydrophobicContact CE-CG 4.06Å; M1-F44 HydrophobicContact CE-CZ 4.05Å
2S83.9Confident90.6Very high107 Ų10764.5 Ų64.575%0.74837%0.373SS*.Hα-helixtrans-55.5-48.6-178.4-173.80000113.7K4 R5 G6S2-K4 PolarHBondContact O-N 3.45Å; S2-R5 WeakPolarHBondContact O-CB 3.23Å; S2-R5 PolarHBondContact O-N 2.87Å; S2-R5 VanDerWaalsContact O-N 3.14Å; S2-G6 PolarHBondContact O-N 2.88Å
3V89.8Confident90.8Very high121 Ų12164 Ų6473%0.73337%0.368SS*.Hα-helixtrans-58.8-49.9179-177.90000111.9M1 R5 G6 T7M1-V3 PolarHBondContact O-N 2.95Å; V3-R5 VanDerWaalsContact C-N 3.26Å; V3-R5 PolarHBondContact O-N 3.33Å; V3-G6 WeakPolarHBondContact O-CA 3.42Å; V3-G6 PolarHBondContact O-N 3.45Å; V3-T7 PolarHBondContact O-N 3.48Å; V3-T7 PolarHBondContact O-OG1 3.33Å
4K89.9Confident91Very high84 Ų8469.9 Ų69.937%0.36538%0.382SS..Hα-helixtrans-55.3-41.7176.5-72.7-166.6178.1-172.20111.9M1 S2 T7 V8 Y40 F44M1-K4 PolarHBondContact O-N 2.98Å; M1-K4 HydrophobicContact SD-CD 4.49Å; S2-K4 PolarHBondContact O-N 3.45Å; K4-T7 PolarHBondContact O-N 3.26Å; K4-V8 WeakPolarHBondContact O-CG2 3.47Å; K4-V8 PolarHBondContact O-N 2.94Å; K4-Y40 HydrophobicContact CB-CD1 4.19Å; K4-Y40 HydrophobicContact CB-CE1 3.54Å; K4-Y40 HydrophobicContact CD-CD1 4.22Å; K4-Y40 HydrophobicContact CD-CE1 3.98Å; K4-Y40 HydrophobicContact CG-CD1 4.37Å; K4-Y40 HydrophobicContact CG-CE1 3.67Å; K4-F44 HydrophobicContact CB-CE1 4.01Å; K4-F44 HydrophobicContact CB-CZ 4.13Å
5R92.7Very high91.2Very high119 Ų11965.5 Ų65.545%0.44936%0.358SS..Hα-helixtrans-65.7-43.6177.2-170.7-178.3-70.7174.9-1110.9M1 S2 V3 T7 V8 T9 F44 T48M1-R5 PolarHBondContact O-N 3.18Å; M1-R5 VanDerWaalsContact O-N 3.09Å; S2-R5 WeakPolarHBondContact O-CB 3.23Å; S2-R5 PolarHBondContact O-N 2.87Å; S2-R5 VanDerWaalsContact O-N 3.14Å; V3-R5 VanDerWaalsContact C-N 3.26Å; V3-R5 PolarHBondContact O-N 3.33Å; R5-T7 VanDerWaalsContact C-N 3.3Å; R5-T7 PolarHBondContact O-N 3.23Å; R5-V8 PolarHBondContact O-N 3.16Å; R5-T9 WeakPolarHBondContact O-CB 3.34Å; R5-T9 PolarHBondContact O-N 2.82Å; R5-T9 PolarHBondContact O-OG1 3.16Å; R5-F44 HydrophobicContact CB-CE2 4.34Å; R5-F44 HydrophobicContact CB-CZ 3.79Å; R5-F44 HydrophobicContact CG-CZ 4.42Å; R5-T48 HydrophobicContact CG-CG2 4.11Å
6G93.2Very high91.2Very high45 Ų4564.8 Ų64.846%0.46435%0.353SS..Hα-helixtrans-56.6-42.7175.500000112.4S2 V3 T9 G10S2-G6 PolarHBondContact O-N 2.88Å; V3-G6 WeakPolarHBondContact O-CA 3.42Å; V3-G6 PolarHBondContact O-N 3.45Å; G6-T9 PolarHBondContact O-N 3.41Å; G6-G10 PolarHBondContact O-N 2.99Å
7T94.5Very high91Very high49 Ų4963.8 Ų63.830%0.30136%0.356SS..Hα-helixtrans-61.1-50.3175.7-51.10000112.2V3 K4 R5 G10 M11V3-T7 PolarHBondContact O-N 3.48Å; V3-T7 PolarHBondContact O-OG1 3.33Å; K4-T7 PolarHBondContact O-N 3.26Å; R5-T7 VanDerWaalsContact C-N 3.3Å; R5-T7 PolarHBondContact O-N 3.23Å; T7-G10 PolarHBondContact O-N 3.4Å; T7-M11 HydrophobicContact CG2-CE 3.97Å; T7-M11 HydrophobicContact CG2-SD 4.45Å; T7-M11 WeakPolarHBondContact O-CG 3.48Å; T7-M11 PolarHBondContact O-N 3.23Å
8V94.7Very high90.8Very high0 Ų066 Ų660%037%0.366CS..Hα-helixtrans-60.1-49.6178.4-177.40000109.9K4 R5 G10 M11 V12 L35 Y40 F44 V45 T48 I49K4-V8 WeakPolarHBondContact O-CG2 3.47Å; K4-V8 PolarHBondContact O-N 2.94Å; R5-V8 PolarHBondContact O-N 3.16Å; V8-G10 PolarHBondContact O-N 3.4Å; V8-M11 PolarHBondContact O-N 3.31Å; V8-V12 HydrophobicContact CG1-CG2 4.37Å; V8-V12 WeakPolarHBondContact O-CG2 3.4Å; V8-V12 PolarHBondContact O-N 2.93Å; V8-L35 HydrophobicContact CB-CD1 4.22Å; V8-L35 HydrophobicContact CG1-CD1 4.16Å; V8-L35 HydrophobicContact CG2-CD1 3.72Å; V8-Y40 HydrophobicContact CG2-CD1 4.17Å; V8-Y40 HydrophobicContact CG2-CE1 4.29Å; V8-F44 HydrophobicContact CG2-CE1 3.99Å; V8-V45 HydrophobicContact CG2-CG2 4.49Å; V8-T48 HydrophobicContact CB-CG2 3.78Å; V8-T48 HydrophobicContact CG1-CG2 3.56Å; V8-I49 HydrophobicContact CG1-CG1 4.14Å
9T94.2Very high90.8Very high26 Ų2664.3 Ų64.316%0.1636%0.358CS..Hα-helixtrans-57.6-48.7179.5-62.90000111.7R5 G6 M11 V12 D13 R52R5-T9 WeakPolarHBondContact O-CB 3.34Å; R5-T9 PolarHBondContact O-N 2.82Å; R5-T9 PolarHBondContact O-OG1 3.16Å; G6-T9 PolarHBondContact O-N 3.41Å; T9-M11 VanDerWaalsContact C-N 3.28Å; T9-M11 PolarHBondContact O-N 3.06Å; T9-V12 PolarHBondContact O-N 3.4Å; T9-D13 WeakPolarHBondContact CG2-OD2 3.4Å; T9-D13 WeakPolarHBondContact O-CB 3.05Å; T9-D13 PolarHBondContact O-N 2.86Å; T9-R52 HydrophobicContact CG2-CG 4.3Å
10G94.6Very high90.6Very high30 Ų3065.4 Ų65.431%0.30936%0.363SS..Hα-helixtrans-67.4-24.6179.900000114.1G6 T7 V8 R14G6-G10 PolarHBondContact O-N 2.99Å; T7-G10 PolarHBondContact O-N 3.4Å; V8-G10 PolarHBondContact O-N 3.4Å; G10-R14 VanDerWaalsContact O-CG 3.26Å; G10-R14 WeakPolarHBondContact O-CG 3.18Å; G10-R14 PolarHBondContact O-N 2.8Å; G10-R14 PolarHBondContact O-NE 2.87Å; G10-R14 VanDerWaalsContact O-NE 3.08Å
11M95.6Very high90.4Very high52 Ų5266.6 Ų66.626%0.25637%0.374SS..Hα-helixtrans-73.1-46.5170.2-72.3178.9174.600111.3T7 V8 T9 R14 A15 I31 L35T7-M11 HydrophobicContact CG2-CE 3.97Å; T7-M11 HydrophobicContact CG2-SD 4.45Å; T7-M11 WeakPolarHBondContact O-CG 3.48Å; T7-M11 PolarHBondContact O-N 3.23Å; V8-M11 PolarHBondContact O-N 3.31Å; T9-M11 VanDerWaalsContact C-N 3.28Å; T9-M11 PolarHBondContact O-N 3.06Å; M11-R14 PolarHBondContact O-N 3.25Å; M11-A15 PolarHBondContact O-N 3.39Å; M11-I31 HydrophobicContact CB-CD1 4.17Å; M11-I31 HydrophobicContact CB-CG1 4.44Å; M11-I31 HydrophobicContact CB-CG2 3.89Å; M11-I31 HydrophobicContact SD-CG2 4.12Å; M11-L35 HydrophobicContact CE-CD2 4.41Å; M11-L35 HydrophobicContact SD-CD1 4.06Å; M11-L35 HydrophobicContact SD-CD2 4.03Å; M11-L35 HydrophobicContact SD-CG 4.2Å
12V95Very high91.4Very high0 Ų067.7 Ų67.70%038%0.378CS..Hα-helixtrans-63.9-45.4179.41750000111.4V8 T9 R14 A15 I16 L28 I49 R52V8-V12 HydrophobicContact CG1-CG2 4.37Å; V8-V12 WeakPolarHBondContact O-CG2 3.4Å; V8-V12 PolarHBondContact O-N 2.93Å; T9-V12 PolarHBondContact O-N 3.4Å; V12-R14 VanDerWaalsContact C-N 3.28Å; V12-R14 PolarHBondContact O-N 2.82Å; V12-A15 WeakPolarHBondContact O-CB 3.37Å; V12-A15 PolarHBondContact O-N 3.43Å; V12-A15 VanDerWaalsContact O-N 3.13Å; V12-I16 HydrophobicContact CG1-CD1 3.75Å; V12-I16 HydrophobicContact CG1-CG1 4.37Å; V12-I16 WeakPolarHBondContact O-CG1 3.47Å; V12-I16 PolarHBondContact O-N 3Å; V12-L28 HydrophobicContact CB-CD2 4.47Å; V12-L28 HydrophobicContact CG1-CD2 4.03Å; V12-L28 HydrophobicContact CG2-CD2 4.2Å; V12-I49 HydrophobicContact CG2-CB 4.37Å; V12-I49 HydrophobicContact CG2-CG1 3.68Å; V12-I49 HydrophobicContact CG2-CG2 4.45Å; V12-R52 HydrophobicContact CG1-CB 3.82Å; V12-R52 HydrophobicContact CG1-CG 4.47Å
13D92.9Very high91.8Very high58 Ų5868.1 Ų68.131%0.3137%0.366SS..Hα-helixtrans-61.4-38.3179.5-66.6-12.3000111.6T9 I16 A17 R52T9-D13 WeakPolarHBondContact CG2-OD2 3.4Å; T9-D13 WeakPolarHBondContact O-CB 3.05Å; T9-D13 PolarHBondContact O-N 2.86Å; D13-I16 PolarHBondContact O-N 3.23Å; D13-A17 VanDerWaalsContact O-CB 3.29Å; D13-A17 WeakPolarHBondContact O-CB 3.31Å; D13-A17 PolarHBondContact O-N 2.8Å; D13-R52 IonicContact OD1-CZ 3.67Å; D13-R52 VanDerWaalsContact OD1-CZ 3.27Å; D13-R52 IonicContact OD1-NE 3.93Å; D13-R52 PolarHBondContact OD1-NE 3.39Å; D13-R52 IonicContact OD1-NH2 2.76Å; D13-R52 PolarHBondContact OD1-NH2 3.49Å; D13-R52 IonicContact OD2-CZ 3.08Å; D13-R52 IonicContact OD2-NE 3.27Å; D13-R52 IonicContact OD2-NH2 2.85Å; D13-R52 PolarHBondContact OD2-NH2 2.85Å
14R93.2Very high92Very high146 Ų14664.1 Ų64.155%0.55134%0.341SS*.Hα-helixtrans-67.8-41.4174.3-75.5-175.2-59.9134.9-1.4112.1G10 M11 V12 I16 A17 I18G10-R14 VanDerWaalsContact O-CG 3.26Å; G10-R14 WeakPolarHBondContact O-CG 3.18Å; G10-R14 PolarHBondContact O-N 2.8Å; G10-R14 PolarHBondContact O-NE 2.87Å; G10-R14 VanDerWaalsContact O-NE 3.08Å; M11-R14 PolarHBondContact O-N 3.25Å; V12-R14 VanDerWaalsContact C-N 3.28Å; V12-R14 PolarHBondContact O-N 2.82Å; R14-I16 VanDerWaalsContact C-N 3.33Å; R14-I16 PolarHBondContact O-N 2.78Å; R14-A17 PolarHBondContact O-N 3.08Å; R14-I18 HydrophobicContact CB-CD1 4.47Å; R14-I18 WeakPolarHBondContact O-CB 3.48Å; R14-I18 WeakPolarHBondContact O-CG1 3.42Å; R14-I18 PolarHBondContact O-N 3.04Å
15A93.7Very high92.2Very high4 Ų465.9 Ų65.93%0.03335%0.354CS..Hα-helixtrans-59.8-45.6175.200000110.9M11 V12 A17 I18 C19 L24 E27 L28 I31M11-A15 PolarHBondContact O-N 3.39Å; V12-A15 WeakPolarHBondContact O-CB 3.37Å; V12-A15 PolarHBondContact O-N 3.43Å; V12-A15 VanDerWaalsContact O-N 3.13Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 2.8Å; A15-I18 PolarHBondContact O-N 3Å; A15-C19 WeakPolarHBondContact O-CB 3.34Å; A15-C19 PolarHBondContact O-N 2.77Å; A15-L24 HydrophobicContact CB-CD1 4.07Å; A15-E27 HydrophobicContact CB-CG 3.79Å; A15-L28 HydrophobicContact CB-CD2 4.33Å; A15-I31 HydrophobicContact CB-CD1 3.84Å
16I91Very high92.3Very high54 Ų5463.6 Ų63.628%0.27736%0.357SS..Hα-helixtrans-62.9-35.7177-65.7166.7000112V12 D13 R14 L24 L53V12-I16 HydrophobicContact CG1-CD1 3.75Å; V12-I16 HydrophobicContact CG1-CG1 4.37Å; V12-I16 WeakPolarHBondContact O-CG1 3.47Å; V12-I16 PolarHBondContact O-N 3Å; D13-I16 PolarHBondContact O-N 3.23Å; R14-I16 VanDerWaalsContact C-N 3.33Å; R14-I16 PolarHBondContact O-N 2.78Å; I16-L24 HydrophobicContact CG1-CD1 4.41Å; I16-L53 HydrophobicContact CD1-CD2 4.03Å; I16-L53 HydrophobicContact CG1-CD2 4.36Å
17A88Confident92.4Very high49 Ų4963.3 Ų63.341%0.40534%0.343SS..Hα-helixtrans-80.3-25.6-176.600000114.4D13 R14 A15D13-A17 VanDerWaalsContact O-CB 3.29Å; D13-A17 WeakPolarHBondContact O-CB 3.31Å; D13-A17 PolarHBondContact O-N 2.8Å; R14-A17 PolarHBondContact O-N 3.08Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 2.8Å
18I88.3Confident92.5Very high103 Ų10361.6 Ų61.653%0.52833%0.332SS..Hα-helixtrans-117.2-36.4-168.7-59.8171.3000112.5R14 A15R14-I18 HydrophobicContact CB-CD1 4.47Å; R14-I18 WeakPolarHBondContact O-CB 3.48Å; R14-I18 WeakPolarHBondContact O-CG1 3.42Å; R14-I18 PolarHBondContact O-N 3.04Å; A15-I18 PolarHBondContact O-N 3Å
19C89.5Confident92.5Very high33 Ų3368 Ų6822%0.22336%0.361CS..SBendtrans-76.8142.1-173.6-64.30000112.1A15 L24A15-C19 WeakPolarHBondContact O-CB 3.34Å; A15-C19 PolarHBondContact O-N 2.77Å; C19-L24 HydrophobicContact CB-CB 4.44Å; C19-L24 HydrophobicContact CB-CD1 4.22Å
20D87.1Confident92.6Very high86 Ų8673.2 Ų73.246%0.4638%0.378SS..  trans-61.6146.9166.3-59-57.5000110.4E22 F23 L24D20-E22 PolarHBondContact O-N 2.93Å; D20-E22 VanDerWaalsContact O-N 3.08Å; D20-F23 HydrophobicContact CB-CD2 4.09Å; D20-F23 PolarHBondContact O-N 3.02Å; D20-L24 PolarHBondContact O-N 3.38Å
21P87.2Confident92.7Very high92 Ų9272.1 Ų72.160%0.59737%0.365SS*.Hα-helixtrans-53-33179.7-2735.1000113.8
22E90.2Very high92.7Very high163 Ų16370.2 Ų70.276%0.76236%0.358SS*.Hα-helixtrans-65-40.2179.2-61.2-178.9179.500112.6D20D20-E22 PolarHBondContact O-N 2.93Å; D20-E22 VanDerWaalsContact O-N 3.08Å
23F92.2Very high92.8Very high117 Ų11772.3 Ų72.351%0.51337%0.37SS..Hα-helixtrans-95.9-11.6-177.1-57.1-64000113.2D20 N25 S26 E27D20-F23 HydrophobicContact CB-CD2 4.09Å; D20-F23 PolarHBondContact O-N 3.02Å; F23-N25 VanDerWaalsContact C-N 3.32Å; F23-N25 PolarHBondContact O-N 2.97Å; F23-S26 PolarHBondContact O-N 3.24Å; F23-S26 VanDerWaalsContact O-N 3.09Å; F23-S26 PolarHBondContact O-OG 3.5Å; F23-E27 PolarHBondContact O-N 2.73Å
24L93.3Very high93Very high37 Ų3772.2 Ų72.219%0.19437%0.372CS..Hα-helixtrans-54.1-45.4-176.3-179.761000112.5A15 I16 C19 D20 S26 E27 L28A15-L24 HydrophobicContact CB-CD1 4.07Å; I16-L24 HydrophobicContact CG1-CD1 4.41Å; C19-L24 HydrophobicContact CB-CB 4.44Å; C19-L24 HydrophobicContact CB-CD1 4.22Å; D20-L24 PolarHBondContact O-N 3.38Å; L24-S26 PolarHBondContact O-N 3.12Å; L24-E27 PolarHBondContact O-N 2.82Å; L24-L28 HydrophobicContact CD1-CD1 4.22Å; L24-L28 HydrophobicContact CD1-CG 4.21Å; L24-L28 HydrophobicContact CG-CD1 4.04Å; L24-L28 HydrophobicContact CG-CG 4.46Å; L24-L28 WeakPolarHBondContact O-CB 3.41Å; L24-L28 VanDerWaalsContact O-CG 3.23Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.83Å
25N94.3Very high93.2Very high120 Ų12065.5 Ų65.564%0.64235%0.347SS*.Hα-helixtrans-64.9-41.6179.4-72.8-37.9000112.4F23 E27 L28 H29F23-N25 VanDerWaalsContact C-N 3.32Å; F23-N25 PolarHBondContact O-N 2.97Å; N25-E27 VanDerWaalsContact C-N 3.32Å; N25-E27 PolarHBondContact O-N 3.06Å; N25-L28 PolarHBondContact O-N 2.84Å; N25-H29 WeakPolarHBondContact O-CB 3.24Å; N25-H29 PolarHBondContact O-N 3.13Å
26S95.2Very high93.2Very high72 Ų7268.2 Ų68.250%0.50336%0.359SS..Hα-helixtrans-64.3-38.2175.9700000112F23 L24 H29 R30F23-S26 PolarHBondContact O-N 3.24Å; F23-S26 VanDerWaalsContact O-N 3.09Å; F23-S26 PolarHBondContact O-OG 3.5Å; L24-S26 PolarHBondContact O-N 3.12Å; S26-H29 PolarHBondContact O-N 3.07Å; S26-R30 WeakPolarHBondContact O-CB 3.42Å; S26-R30 PolarHBondContact O-N 3.25Å
27E95.9Very high93.5Very high39 Ų3974 Ų7418%0.18238%0.382CS..Hα-helixtrans-67-44.8176.7177.960.9-165.400111.4A15 F23 L24 N25 H29 R30 I31A15-E27 HydrophobicContact CB-CG 3.79Å; F23-E27 PolarHBondContact O-N 2.73Å; L24-E27 PolarHBondContact O-N 2.82Å; N25-E27 VanDerWaalsContact C-N 3.32Å; N25-E27 PolarHBondContact O-N 3.06Å; E27-H29 VanDerWaalsContact C-N 3.29Å; E27-H29 PolarHBondContact O-N 2.79Å; E27-R30 WeakPolarHBondContact O-CB 3.47Å; E27-R30 PolarHBondContact O-N 3.32Å; E27-R30 VanDerWaalsContact O-N 3.15Å; E27-R30 IonicContact OE1-CZ 3.83Å; E27-R30 IonicContact OE1-NE 3.7Å; E27-R30 IonicContact OE1-NH2 2.98Å; E27-R30 PolarHBondContact OE1-NH2 3.33Å; E27-R30 IonicContact OE2-CZ 3.2Å; E27-R30 IonicContact OE2-NE 3.02Å; E27-R30 PolarHBondContact OE2-NE 2.99Å; E27-R30 IonicContact OE2-NH2 3.15Å; E27-R30 PolarHBondContact OE2-NH2 2.98Å; E27-I31 HydrophobicContact CG-CD1 3.93Å; E27-I31 HydrophobicContact CG-CG1 4.47Å; E27-I31 VanDerWaalsContact O-CG1 3.3Å; E27-I31 WeakPolarHBondContact O-CG1 3.26Å; E27-I31 PolarHBondContact O-N 2.87Å
28L95.8Very high93.8Very high12 Ų1276.9 Ų76.96%0.06339%0.391CS..Hα-helixtrans-61.2-39.5176.4-69.2170.9000111.6V12 A15 L24 N25 I31 A32 I49 L53V12-L28 HydrophobicContact CB-CD2 4.47Å; V12-L28 HydrophobicContact CG1-CD2 4.03Å; V12-L28 HydrophobicContact CG2-CD2 4.2Å; A15-L28 HydrophobicContact CB-CD2 4.33Å; L24-L28 HydrophobicContact CD1-CD1 4.22Å; L24-L28 HydrophobicContact CD1-CG 4.21Å; L24-L28 HydrophobicContact CG-CD1 4.04Å; L24-L28 HydrophobicContact CG-CG 4.46Å; L24-L28 WeakPolarHBondContact O-CB 3.41Å; L24-L28 VanDerWaalsContact O-CG 3.23Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.83Å; N25-L28 PolarHBondContact O-N 2.84Å; L28-I31 PolarHBondContact O-N 3.46Å; L28-A32 WeakPolarHBondContact O-CB 3.28Å; L28-A32 PolarHBondContact O-N 3.15Å; L28-I49 HydrophobicContact CD2-CG2 4.28Å; L28-L53 HydrophobicContact CD1-CD1 4.02Å; L28-L53 HydrophobicContact CD1-CD2 4.02Å
29H95.7Very high94.1Very high134 Ų13474.5 Ų74.562%0.6239%0.392SS*.Hα-helixtrans-64.9-41.4174.2-173.871.4000112.1N25 S26 E27 A32 T33N25-H29 WeakPolarHBondContact O-CB 3.24Å; N25-H29 PolarHBondContact O-N 3.13Å; S26-H29 PolarHBondContact O-N 3.07Å; E27-H29 VanDerWaalsContact C-N 3.29Å; E27-H29 PolarHBondContact O-N 2.79Å; H29-A32 PolarHBondContact O-N 3.11Å; H29-T33 WeakPolarHBondContact O-CB 3.25Å; H29-T33 PolarHBondContact O-N 3.45Å; H29-T33 PolarHBondContact O-OG1 3.36Å
30R96.4Very high94.4Very high136 Ų13675 Ų7551%0.51339%0.39SS..Hα-helixtrans-62-46.8175.1-171.4178.16780.9-11.3111.4S26 E27 A32 T33 T34S26-R30 WeakPolarHBondContact O-CB 3.42Å; S26-R30 PolarHBondContact O-N 3.25Å; E27-R30 WeakPolarHBondContact O-CB 3.47Å; E27-R30 PolarHBondContact O-N 3.32Å; E27-R30 VanDerWaalsContact O-N 3.15Å; E27-R30 IonicContact OE1-CZ 3.83Å; E27-R30 IonicContact OE1-NE 3.7Å; E27-R30 IonicContact OE1-NH2 2.98Å; E27-R30 PolarHBondContact OE1-NH2 3.33Å; E27-R30 IonicContact OE2-CZ 3.2Å; E27-R30 IonicContact OE2-NE 3.02Å; E27-R30 PolarHBondContact OE2-NE 2.99Å; E27-R30 IonicContact OE2-NH2 3.15Å; E27-R30 PolarHBondContact OE2-NH2 2.98Å; R30-A32 VanDerWaalsContact C-N 3.33Å; R30-A32 PolarHBondContact O-N 3.27Å; R30-T33 PolarHBondContact O-N 3.26Å; R30-T34 WeakPolarHBondContact O-CB 3.31Å; R30-T34 PolarHBondContact O-N 2.96Å; R30-T34 PolarHBondContact O-OG1 3.39Å; R30-T34 VanDerWaalsContact O-OG1 3.05Å
31I95.9Very high94.8Very high8 Ų873.9 Ų73.94%0.04139%0.387CS..Hα-helixtrans-56.7-48175.3-70.7165.9000110.5M11 A15 E27 L28 T34 L35M11-I31 HydrophobicContact CB-CD1 4.17Å; M11-I31 HydrophobicContact CB-CG1 4.44Å; M11-I31 HydrophobicContact CB-CG2 3.89Å; M11-I31 HydrophobicContact SD-CG2 4.12Å; A15-I31 HydrophobicContact CB-CD1 3.84Å; E27-I31 HydrophobicContact CG-CD1 3.93Å; E27-I31 HydrophobicContact CG-CG1 4.47Å; E27-I31 VanDerWaalsContact O-CG1 3.3Å; E27-I31 WeakPolarHBondContact O-CG1 3.26Å; E27-I31 PolarHBondContact O-N 2.87Å; L28-I31 PolarHBondContact O-N 3.46Å; I31-T34 PolarHBondContact O-N 3.2Å; I31-L35 HydrophobicContact CG2-CD1 3.82Å; I31-L35 WeakPolarHBondContact O-CB 3.32Å; I31-L35 WeakPolarHBondContact O-CG 3.42Å; I31-L35 PolarHBondContact O-N 3Å
32A96.6Very high95.1Very high11 Ų1175.9 Ų75.99%0.09139%0.386CS..Hα-helixtrans-59.8-50.2179.200000111.6L28 H29 R30 T34 L35 E36 V45 I49L28-A32 WeakPolarHBondContact O-CB 3.28Å; L28-A32 PolarHBondContact O-N 3.15Å; H29-A32 PolarHBondContact O-N 3.11Å; R30-A32 VanDerWaalsContact C-N 3.33Å; R30-A32 PolarHBondContact O-N 3.27Å; A32-T34 PolarHBondContact O-N 3.26Å; A32-L35 PolarHBondContact O-N 3.43Å; A32-E36 WeakPolarHBondContact O-CG 3.3Å; A32-E36 PolarHBondContact O-N 2.71Å; A32-V45 HydrophobicContact CB-CG1 4.05Å; A32-I49 HydrophobicContact CB-CD1 3.92Å
33T96.8Very high95.3Very high44 Ų4473.6 Ų73.627%0.2738%0.383SS..Hα-helixtrans-61.4-43179.6-57.40000112.1H29 R30 E36 K37H29-T33 WeakPolarHBondContact O-CB 3.25Å; H29-T33 PolarHBondContact O-N 3.45Å; H29-T33 PolarHBondContact O-OG1 3.36Å; R30-T33 PolarHBondContact O-N 3.26Å; T33-E36 PolarHBondContact O-N 2.97Å; T33-K37 HydrophobicContact CG2-CD 4.35Å; T33-K37 WeakPolarHBondContact O-CB 3.29Å; T33-K37 WeakPolarHBondContact O-CG 3.3Å; T33-K37 PolarHBondContact O-N 3.46Å
34T96.7Very high95.4Very high57 Ų5769 Ų6935%0.3536%0.363SS..Hα-helixtrans-64.5-40.6177.5-63.80000111.6R30 I31 A32 N38R30-T34 WeakPolarHBondContact O-CB 3.31Å; R30-T34 PolarHBondContact O-N 2.96Å; R30-T34 PolarHBondContact O-OG1 3.39Å; R30-T34 VanDerWaalsContact O-OG1 3.05Å; I31-T34 PolarHBondContact O-N 3.2Å; A32-T34 PolarHBondContact O-N 3.26Å; T34-N38 PolarHBondContact O-N 3.29Å; T34-N38 VanDerWaalsContact O-N 3.12Å; T34-N38 PolarHBondContact O-ND2 3.24Å
35L96.2Very high95.5Very high4 Ų467.2 Ų67.22%0.02135%0.354CS..Hα-helixtrans-69.3-40.6177.9-71.6170.1000111.7V8 M11 I31 A32 K37 N38 G39 Y40 V45V8-L35 HydrophobicContact CB-CD1 4.22Å; V8-L35 HydrophobicContact CG1-CD1 4.16Å; V8-L35 HydrophobicContact CG2-CD1 3.72Å; M11-L35 HydrophobicContact CE-CD2 4.41Å; M11-L35 HydrophobicContact SD-CD1 4.06Å; M11-L35 HydrophobicContact SD-CD2 4.03Å; M11-L35 HydrophobicContact SD-CG 4.2Å; I31-L35 HydrophobicContact CG2-CD1 3.82Å; I31-L35 WeakPolarHBondContact O-CB 3.32Å; I31-L35 WeakPolarHBondContact O-CG 3.42Å; I31-L35 PolarHBondContact O-N 3Å; A32-L35 PolarHBondContact O-N 3.43Å; L35-K37 PolarHBondContact O-N 2.76Å; L35-N38 CarbonylContact O-C 3.54Å; L35-N38 WeakPolarHBondContact O-CA 3.49Å; L35-N38 PolarHBondContact O-N 3.25Å; L35-N38 VanDerWaalsContact O-N 3.11Å; L35-G39 PolarHBondContact O-N 3.22Å; L35-Y40 HydrophobicContact CB-CD2 4.39Å; L35-Y40 HydrophobicContact CB-CG 4.14Å; L35-Y40 HydrophobicContact CD2-CD1 4.28Å; L35-Y40 HydrophobicContact CD2-CD2 4.06Å; L35-Y40 HydrophobicContact CD2-CE1 4.22Å; L35-Y40 HydrophobicContact CD2-CE2 4.02Å; L35-Y40 HydrophobicContact CD2-CG 4.21Å; L35-Y40 VanDerWaalsContact O-CB 3.27Å; L35-Y40 WeakPolarHBondContact O-CB 3.44Å; L35-Y40 WeakPolarHBondContact O-CD2 3.33Å; L35-Y40 PolarHBondContact O-N 3.12Å; L35-V45 HydrophobicContact CB-CG1 4.38Å; L35-V45 HydrophobicContact CB-CG2 3.95Å; L35-V45 HydrophobicContact CD1-CG1 4.17Å; L35-V45 HydrophobicContact CD1-CG2 4.47Å
36E95.3Very high95.5Very high62 Ų6264.1 Ų64.129%0.2934%0.342SS..Hα-helixtrans-58.4-46.8173.7-74.1176.6-148.300111.4A32 T33 N38 G39 K42A32-E36 WeakPolarHBondContact O-CG 3.3Å; A32-E36 PolarHBondContact O-N 2.71Å; T33-E36 PolarHBondContact O-N 2.97Å; E36-N38 PolarHBondContact O-N 2.98Å; E36-G39 PolarHBondContact O-N 3.27Å; E36-K42 HydrophobicContact CG-CB 4.2Å; E36-K42 HydrophobicContact CG-CG 4.47Å; E36-K42 WeakPolarHBondContact OE1-CG 3.3Å
37K96.1Very high95.3Very high174 Ų17463.5 Ų63.576%0.75734%0.337SS*.Hα-helixtrans-61-28.8174.9-74.2178.8179.2-177.60113.4T33 L35 G39T33-K37 HydrophobicContact CG2-CD 4.35Å; T33-K37 WeakPolarHBondContact O-CB 3.29Å; T33-K37 WeakPolarHBondContact O-CG 3.3Å; T33-K37 PolarHBondContact O-N 3.46Å; L35-K37 PolarHBondContact O-N 2.76Å; K37-G39 PolarHBondContact O-N 3.04Å
38N95.7Very high95.2Very high111 Ų11161.7 Ų61.759%0.59433%0.329SS*.THydrogen-bonded Turntrans-85.914.4174.4-72.4-52.3000113.3T34 L35 E36 Y40T34-N38 PolarHBondContact O-N 3.29Å; T34-N38 VanDerWaalsContact O-N 3.12Å; T34-N38 PolarHBondContact O-ND2 3.24Å; L35-N38 CarbonylContact O-C 3.54Å; L35-N38 WeakPolarHBondContact O-CA 3.49Å; L35-N38 PolarHBondContact O-N 3.25Å; L35-N38 VanDerWaalsContact O-N 3.11Å; E36-N38 PolarHBondContact O-N 2.98Å; N38-Y40 HydrophobicContact CB-CD2 4.27Å; N38-Y40 HydrophobicContact CB-CE2 4.47Å
39G94.2Very high95.1Very high53 Ų5361.9 Ų61.955%0.54633%0.33SS..THydrogen-bonded Turntrans78.719.7175.400000114.6L35 E36 K37L35-G39 PolarHBondContact O-N 3.22Å; E36-G39 PolarHBondContact O-N 3.27Å; K37-G39 PolarHBondContact O-N 3.04Å
40Y96.1Very high94.9Very high44 Ų4457.8 Ų57.817%0.17332%0.319CS..  trans-78.3134.8168.9-73.7-119.2000109.5K4 V8 L35 N38 K42 F44 V45K4-Y40 HydrophobicContact CB-CD1 4.19Å; K4-Y40 HydrophobicContact CB-CE1 3.54Å; K4-Y40 HydrophobicContact CD-CD1 4.22Å; K4-Y40 HydrophobicContact CD-CE1 3.98Å; K4-Y40 HydrophobicContact CG-CD1 4.37Å; K4-Y40 HydrophobicContact CG-CE1 3.67Å; V8-Y40 HydrophobicContact CG2-CD1 4.17Å; V8-Y40 HydrophobicContact CG2-CE1 4.29Å; L35-Y40 HydrophobicContact CB-CD2 4.39Å; L35-Y40 HydrophobicContact CB-CG 4.14Å; L35-Y40 HydrophobicContact CD2-CD1 4.28Å; L35-Y40 HydrophobicContact CD2-CD2 4.06Å; L35-Y40 HydrophobicContact CD2-CE1 4.22Å; L35-Y40 HydrophobicContact CD2-CE2 4.02Å; L35-Y40 HydrophobicContact CD2-CG 4.21Å; L35-Y40 VanDerWaalsContact O-CB 3.27Å; L35-Y40 WeakPolarHBondContact O-CB 3.44Å; L35-Y40 WeakPolarHBondContact O-CD2 3.33Å; L35-Y40 PolarHBondContact O-N 3.12Å; N38-Y40 HydrophobicContact CB-CD2 4.27Å; N38-Y40 HydrophobicContact CB-CE2 4.47Å; Y40-K42 PolarHBondContact O-N 3.32Å; Y40-F44 HydrophobicContact CD1-CD1 4.39Å; Y40-F44 HydrophobicContact CD1-CE1 4.18Å; Y40-V45 HydrophobicContact CD1-CG2 4.46Å; Y40-V45 HydrophobicContact CG-CG2 4.42Å
41P95Very high94.6Very high62 Ų6255.6 Ų55.640%0.40331%0.311SS..  trans-61.6129.5177.5-20.230.8000111.1T43 F44 V45P41-T43 PolarHBondContact O-N 3.35Å; P41-F44 HydrophobicContact CB-CB 3.97Å; P41-F44 HydrophobicContact CG-CB 4.35Å; P41-F44 WeakPolarHBondContact O-CB 3.19Å; P41-F44 PolarHBondContact O-N 2.74Å; P41-V45 PolarHBondContact O-N 2.67Å
42K94.3Very high94.2Very high134 Ų13460.3 Ų60.358%0.58333%0.328SS*.Hα-helixtrans-52.3-50.1-178.2-179.9164.4-168.7176.60113.1E36 Y40 F44 V45 S46E36-K42 HydrophobicContact CG-CB 4.2Å; E36-K42 HydrophobicContact CG-CG 4.47Å; E36-K42 WeakPolarHBondContact OE1-CG 3.3Å; Y40-K42 PolarHBondContact O-N 3.32Å; K42-F44 VanDerWaalsContact C-N 3.26Å; K42-F44 PolarHBondContact O-N 3.12Å; K42-V45 PolarHBondContact O-N 2.9Å; K42-V45 VanDerWaalsContact O-N 3.16Å; K42-S46 PolarHBondContact O-N 3.03Å; K42-S46 PolarHBondContact O-OG 3.38Å; K42-S46 VanDerWaalsContact O-OG 3.12Å
43T94.6Very high93.8Very high114 Ų11463.3 Ų63.370%0.69934%0.342SS*.Hα-helixtrans-59.5-36.7178.354.30000112.6P41 S47P41-T43 PolarHBondContact O-N 3.35Å; T43-S47 WeakPolarHBondContact O-CB 3.36Å; T43-S47 PolarHBondContact O-N 3.02Å; T43-S47 PolarHBondContact O-OG 2.92Å
44F93.8Very high93.2Very high20 Ų2065.5 Ų65.59%0.08835%0.352CS..Hα-helixtrans-68.9-41.1177.4171.1-97.1000112.4M1 K4 R5 V8 Y40 P41 K42 S47 T48M1-F44 HydrophobicContact CE-CD2 3.5Å; M1-F44 VanDerWaalsContact CE-CD2 3.5Å; M1-F44 HydrophobicContact CE-CE2 3.49Å; M1-F44 VanDerWaalsContact CE-CE2 3.49Å; M1-F44 HydrophobicContact CE-CG 4.06Å; M1-F44 HydrophobicContact CE-CZ 4.05Å; K4-F44 HydrophobicContact CB-CE1 4.01Å; K4-F44 HydrophobicContact CB-CZ 4.13Å; R5-F44 HydrophobicContact CB-CE2 4.34Å; R5-F44 HydrophobicContact CB-CZ 3.79Å; R5-F44 HydrophobicContact CG-CZ 4.42Å; V8-F44 HydrophobicContact CG2-CE1 3.99Å; Y40-F44 HydrophobicContact CD1-CD1 4.39Å; Y40-F44 HydrophobicContact CD1-CE1 4.18Å; P41-F44 HydrophobicContact CB-CB 3.97Å; P41-F44 HydrophobicContact CG-CB 4.35Å; P41-F44 WeakPolarHBondContact O-CB 3.19Å; P41-F44 PolarHBondContact O-N 2.74Å; K42-F44 VanDerWaalsContact C-N 3.26Å; K42-F44 PolarHBondContact O-N 3.12Å; F44-S47 PolarHBondContact O-OG 3.12Å; F44-S47 VanDerWaalsContact O-OG 3.13Å; F44-T48 VanDerWaalsContact O-CB 3.29Å; F44-T48 WeakPolarHBondContact O-CB 3.42Å; F44-T48 PolarHBondContact O-N 3.12Å; F44-T48 VanDerWaalsContact O-N 3.12Å; F44-T48 PolarHBondContact O-OG1 3.48Å
45V94.5Very high92Very high0 Ų067.1 Ų67.10%036%0.364CS..Hα-helixtrans-67.3-54.3177.6176.20000110V8 A32 L35 Y40 P41 K42 S47 T48 I49V8-V45 HydrophobicContact CG2-CG2 4.49Å; A32-V45 HydrophobicContact CB-CG1 4.05Å; L35-V45 HydrophobicContact CB-CG1 4.38Å; L35-V45 HydrophobicContact CB-CG2 3.95Å; L35-V45 HydrophobicContact CD1-CG1 4.17Å; L35-V45 HydrophobicContact CD1-CG2 4.47Å; Y40-V45 HydrophobicContact CD1-CG2 4.46Å; Y40-V45 HydrophobicContact CG-CG2 4.42Å; P41-V45 PolarHBondContact O-N 2.67Å; K42-V45 PolarHBondContact O-N 2.9Å; K42-V45 VanDerWaalsContact O-N 3.16Å; V45-S47 PolarHBondContact O-N 3.35Å; V45-T48 PolarHBondContact O-N 2.79Å; V45-T48 VanDerWaalsContact O-N 3.12Å; V45-I49 HydrophobicContact CG1-CD1 3.69Å; V45-I49 HydrophobicContact CG1-CG1 4.39Å; V45-I49 WeakPolarHBondContact O-CG1 3.38Å; V45-I49 PolarHBondContact O-N 3.02Å
46S93.9Very high90.5Very high56 Ų5670.2 Ų70.239%0.39239%0.39SS..Hα-helixtrans-58.5-45.4-179.6-53.30000112.4K42 T48 I49 A50K42-S46 PolarHBondContact O-N 3.03Å; K42-S46 PolarHBondContact O-OG 3.38Å; K42-S46 VanDerWaalsContact O-OG 3.12Å; S46-T48 VanDerWaalsContact C-N 3.32Å; S46-T48 PolarHBondContact O-N 2.96Å; S46-I49 PolarHBondContact O-N 2.9Å; S46-A50 WeakPolarHBondContact O-CB 3.31Å; S46-A50 PolarHBondContact O-N 3.13Å
47S92.8Very high88.5Confident59 Ų5973.8 Ų73.841%0.41341%0.411SS..Hα-helixtrans-65.7-33177.759.60000113.1T43 F44 V45 R51T43-S47 WeakPolarHBondContact O-CB 3.36Å; T43-S47 PolarHBondContact O-N 3.02Å; T43-S47 PolarHBondContact O-OG 2.92Å; F44-S47 PolarHBondContact O-OG 3.12Å; F44-S47 VanDerWaalsContact O-OG 3.13Å; V45-S47 PolarHBondContact O-N 3.35Å; S47-R51 VanDerWaalsContact O-CB 3.31Å; S47-R51 WeakPolarHBondContact O-CB 3.25Å; S47-R51 PolarHBondContact O-N 3.41Å; S47-R51 VanDerWaalsContact O-N 3.12Å
48T92.3Very high86.5Confident0 Ų069.6 Ų69.60%040%0.404CS..Hα-helixtrans-73-40.2176.3-63.70000111.6R5 V8 F44 V45 S46 R51 R52R5-T48 HydrophobicContact CG-CG2 4.11Å; V8-T48 HydrophobicContact CB-CG2 3.78Å; V8-T48 HydrophobicContact CG1-CG2 3.56Å; F44-T48 VanDerWaalsContact O-CB 3.29Å; F44-T48 WeakPolarHBondContact O-CB 3.42Å; F44-T48 PolarHBondContact O-N 3.12Å; F44-T48 VanDerWaalsContact O-N 3.12Å; F44-T48 PolarHBondContact O-OG1 3.48Å; V45-T48 PolarHBondContact O-N 2.79Å; V45-T48 VanDerWaalsContact O-N 3.12Å; S46-T48 VanDerWaalsContact C-N 3.32Å; S46-T48 PolarHBondContact O-N 2.96Å; T48-R51 PolarHBondContact OG1-NH2 3.12Å; T48-R52 WeakPolarHBondContact O-CG 3.36Å; T48-R52 PolarHBondContact O-N 3.28Å
49I93.3Very high84.3Confident16 Ų1668.1 Ų68.18%0.08240%0.402CS..Hα-helixtrans-61.9-52.4174.1-65.2168.7000110V8 V12 L28 A32 V45 S46 R51 R52 L53V8-I49 HydrophobicContact CG1-CG1 4.14Å; V12-I49 HydrophobicContact CG2-CB 4.37Å; V12-I49 HydrophobicContact CG2-CG1 3.68Å; V12-I49 HydrophobicContact CG2-CG2 4.45Å; L28-I49 HydrophobicContact CD2-CG2 4.28Å; A32-I49 HydrophobicContact CB-CD1 3.92Å; V45-I49 HydrophobicContact CG1-CD1 3.69Å; V45-I49 HydrophobicContact CG1-CG1 4.39Å; V45-I49 WeakPolarHBondContact O-CG1 3.38Å; V45-I49 PolarHBondContact O-N 3.02Å; S46-I49 PolarHBondContact O-N 2.9Å; I49-R51 VanDerWaalsContact C-N 3.32Å; I49-R51 PolarHBondContact O-N 2.86Å; I49-R52 PolarHBondContact O-N 3.03Å; I49-L53 HydrophobicContact CG2-CD1 3.91Å; I49-L53 HydrophobicContact CG2-CG 4.35Å; I49-L53 PolarHBondContact O-N 2.9Å
50A92Very high82.4Confident48 Ų4870.4 Ų70.440%0.39741%0.41SS..Hα-helixtrans-56.3-44.8-179.300000112.2S46 R52 L53 N54S46-A50 WeakPolarHBondContact O-CB 3.31Å; S46-A50 PolarHBondContact O-N 3.13Å; A50-R52 VanDerWaalsContact C-N 3.26Å; A50-R52 PolarHBondContact O-N 2.7Å; A50-L53 PolarHBondContact O-N 2.99Å; A50-N54 PolarHBondContact O-N 3.3Å
51R89.6Confident80.3Confident91 Ų9171.5 Ų71.534%0.34342%0.421SS..Hα-helixtrans-62-29.7176.4-174.4179.163-109.9-9.6113.4S47 T48 I49 N54S47-R51 VanDerWaalsContact O-CB 3.31Å; S47-R51 WeakPolarHBondContact O-CB 3.25Å; S47-R51 PolarHBondContact O-N 3.41Å; S47-R51 VanDerWaalsContact O-N 3.12Å; T48-R51 PolarHBondContact OG1-NH2 3.12Å; I49-R51 VanDerWaalsContact C-N 3.32Å; I49-R51 PolarHBondContact O-N 2.86Å; R51-N54 CarbonylContact O-C 3.47Å
52R88.7Confident78.7Confident107 Ų10772 Ų7240%0.40442%0.423SS..Hα-helixtrans-81-34177.5-68.4-58.3-73.2179.7-17112.6T9 V12 D13 T48 I49 A50T9-R52 HydrophobicContact CG2-CG 4.3Å; V12-R52 HydrophobicContact CG1-CB 3.82Å; V12-R52 HydrophobicContact CG1-CG 4.47Å; D13-R52 IonicContact OD1-CZ 3.67Å; D13-R52 VanDerWaalsContact OD1-CZ 3.27Å; D13-R52 IonicContact OD1-NE 3.93Å; D13-R52 PolarHBondContact OD1-NE 3.39Å; D13-R52 IonicContact OD1-NH2 2.76Å; D13-R52 PolarHBondContact OD1-NH2 3.49Å; D13-R52 IonicContact OD2-CZ 3.08Å; D13-R52 IonicContact OD2-NE 3.27Å; D13-R52 IonicContact OD2-NH2 2.85Å; D13-R52 PolarHBondContact OD2-NH2 2.85Å; T48-R52 WeakPolarHBondContact O-CG 3.36Å; T48-R52 PolarHBondContact O-N 3.28Å; I49-R52 PolarHBondContact O-N 3.03Å; A50-R52 VanDerWaalsContact C-N 3.26Å; A50-R52 PolarHBondContact O-N 2.7Å
53L87.6Confident77.4Confident74 Ų7472.8 Ų72.839%0.38743%0.429SS..Hα-helixtrans-71.7-35.9175.6-64.7174.2000112I16 L28 I49 A50 P55I16-L53 HydrophobicContact CD1-CD2 4.03Å; I16-L53 HydrophobicContact CG1-CD2 4.36Å; L28-L53 HydrophobicContact CD1-CD1 4.02Å; L28-L53 HydrophobicContact CD1-CD2 4.02Å; I49-L53 HydrophobicContact CG2-CD1 3.91Å; I49-L53 HydrophobicContact CG2-CG 4.35Å; I49-L53 PolarHBondContact O-N 2.9Å; A50-L53 PolarHBondContact O-N 2.99Å; L53-P55 VanDerWaalsContact C-CD 3.42Å; L53-P55 WeakPolarHBondContact O-CD 3.13Å
54N85.1Confident75.9Confident90 Ų9076.1 Ų76.148%0.48143%0.428SS..  trans-111.977.8177.9-63.1-28.8000110.5A50 R51 A56 D57A50-N54 PolarHBondContact O-N 3.3Å; R51-N54 CarbonylContact O-C 3.47Å; N54-A56 PolarHBondContact O-N 2.89Å; N54-A56 VanDerWaalsContact O-N 3.13Å; N54-D57 PolarHBondContact O-N 3.42Å
55P70.6Confident74.8Confident90 Ų9079.4 Ų79.458%0.58445%0.447SS*.G310 helixtrans-61.4-21.4174.523.5-30.6000112.3L53 D57 S58L53-P55 VanDerWaalsContact C-CD 3.42Å; L53-P55 WeakPolarHBondContact O-CD 3.13Å; P55-D57 PolarHBondContact O-N 3.46Å; P55-S58 PolarHBondContact O-N 2.9Å; P55-S58 VanDerWaalsContact O-N 3.12Å; P55-S58 PolarHBondContact O-OG 2.86Å
56A64.2Low74Confident69 Ų6988 Ų8857%0.5748%0.479SS*.G310 helixtrans-56.6-31.5176.100000113.4N54 S58 S59N54-A56 PolarHBondContact O-N 2.89Å; N54-A56 VanDerWaalsContact O-N 3.13Å; A56-S58 PolarHBondContact O-N 3.14Å; A56-S59 VanDerWaalsContact O-CB 3.26Å; A56-S59 WeakPolarHBondContact O-CB 3.49Å; A56-S59 PolarHBondContact O-N 2.71Å; A56-S59 PolarHBondContact O-OG 2.95Å
57D53.9Low73.5Confident138 Ų13888.3 Ų88.374%0.73848%0.476SS*.G310 helixtrans-69.7-7.6179.4-83.2-21.7000114N54 P55N54-D57 PolarHBondContact O-N 3.42Å; P55-D57 PolarHBondContact O-N 3.46Å
58S54Low73.4Confident86 Ų8689.8 Ų89.860%0.60149%0.485SS*.G310 helixtrans-923.8171.165.10000113.9P55 A56 S60P55-S58 PolarHBondContact O-N 2.9Å; P55-S58 VanDerWaalsContact O-N 3.12Å; P55-S58 PolarHBondContact O-OG 2.86Å; A56-S58 PolarHBondContact O-N 3.14Å; S58-S60 PolarHBondContact O-N 3.39Å
59S50.7Low73.3Confident79 Ų7993.6 Ų93.655%0.55251%0.508SS*.  trans-75.661.6177.471.80000112.3A56 T61A56-S59 VanDerWaalsContact O-CB 3.26Å; A56-S59 WeakPolarHBondContact O-CB 3.49Å; A56-S59 PolarHBondContact O-N 2.71Å; A56-S59 PolarHBondContact O-OG 2.95Å; S59-T61 VanDerWaalsContact CB-OG1 3.3Å; S59-T61 WeakPolarHBondContact CB-OG1 3.48Å; S59-T61 PolarHBondContact O-N 2.77Å
60S53Low73.2Confident102 Ų10297 Ų9771%0.71353%0.526SS*.  trans-79.456137.761.10000107.7S58 T62S58-S60 PolarHBondContact O-N 3.39Å; S60-T62 PolarHBondContact O-N 3.31Å
61T51.7Low73.2Confident67 Ų6798.6 Ų98.641%0.41153%0.531SS..  trans-64.595.3171.7-20.40000104.9S59 D65S59-T61 VanDerWaalsContact CB-OG1 3.3Å; S59-T61 WeakPolarHBondContact CB-OG1 3.48Å; S59-T61 PolarHBondContact O-N 2.77Å; T61-D65 HydrophobicContact CG2-CB 3.73Å
62T62.6Low73.2Confident71 Ų7195.8 Ų95.844%0.43652%0.522SS..  trans-60150.3173.4-54.30000106.1S60 R64 D65S60-T62 PolarHBondContact O-N 3.31Å; T62-R64 HydrophobicContact CG2-CB 4.16Å; T62-R64 HydrophobicContact CG2-CG 4.39Å; T62-R64 PolarHBondContact O-N 3.18Å; T62-D65 PolarHBondContact O-N 3.44Å
63E65.8Low73.2Confident152 Ų15295.5 Ų95.571%0.7153%0.534SS*.G310 helixtrans-50.6-28.8174.5-70.2-148.9137.900112.7D65 R66E63-D65 VanDerWaalsContact C-N 3.25Å; E63-D65 PolarHBondContact O-N 2.93Å; E63-R66 WeakPolarHBondContact O-CB 3.49Å; E63-R66 PolarHBondContact O-N 3.4Å
64R64.6Low73.3Confident183 Ų18398.1 Ų98.169%0.69154%0.54SS*.G310 helixtrans-58.6-26.6172.5-74.1-165.5-82-163.9-6.2115.4T62 R66 R92T62-R64 HydrophobicContact CG2-CB 4.16Å; T62-R64 HydrophobicContact CG2-CG 4.39Å; T62-R64 PolarHBondContact O-N 3.18Å; R64-R66 VanDerWaalsContact C-N 3.34Å; R64-R92 VanDerWaalsContact O-CD 3.25Å; R64-R92 WeakPolarHBondContact O-CD 3.2Å; R64-R92 PolarHBondContact O-NH1 3.31Å
65D69Low73.5Confident90 Ų90101.2 Ų101.248%0.48155%0.546SS..G310 helixtrans-84.8-10.8177.7-68.4-32.2000112.7T61 T62 E63 R92T61-D65 HydrophobicContact CG2-CB 3.73Å; T62-D65 PolarHBondContact O-N 3.44Å; E63-D65 VanDerWaalsContact C-N 3.25Å; E63-D65 PolarHBondContact O-N 2.93Å; D65-R92 IonicContact OD1-NH1 3.74Å; D65-R92 PolarHBondContact OD1-NH1 2.89Å; D65-R92 VanDerWaalsContact OD1-NH1 3.08Å
66R77.5Confident74.5Confident180 Ų180101.9 Ų101.968%0.67955%0.548SS*.SBendtrans-88.4-12.6174.5-60.1-178.8-179.3172.1-1.3113.4E63 R64E63-R66 WeakPolarHBondContact O-CB 3.49Å; E63-R66 PolarHBondContact O-N 3.4Å; R64-R66 VanDerWaalsContact C-N 3.34Å
67L84.8Confident75.9Confident62 Ų62100.8 Ų100.833%0.32554%0.544SS..SBendtrans-69.9138.6-178.7-61.5173.1000110.8V69 G90 R92L67-V69 PolarHBondContact O-N 3.06Å; L67-G90 WeakPolarHBondContact CD2-O 3.37Å; L67-R92 HydrophobicContact CB-CG 4.23Å; L67-R92 HydrophobicContact CD1-CG 4.3Å
68P89.9Confident77.8Confident91 Ų9198.6 Ų98.659%0.59153%0.531SS*.  trans-51.4135171.5-25.433.2000111.4G90 F91 R92P68-G90 WeakPolarHBondContact CD-O 3.49Å; P68-F91 HydrophobicContact CB-CB 4.29Å; P68-F91 CarbonylContact O-C 2.94Å; P68-F91 WeakPolarHBondContact O-CA 3.48Å; P68-F91 WeakPolarHBondContact O-CB 3.43Å; P68-R92 PolarHBondContact O-N 3.49Å
69V91.3Very high79.6Confident80 Ų8094.6 Ų94.649%0.48550%0.503SS..EExtended strand (participates in β ladder)trans-110121.9-178.8-175.90000109.6L67 R92 F94L67-V69 PolarHBondContact O-N 3.06Å; V69-R92 CarbonylContact C-O 3.6Å; V69-R92 WeakPolarHBondContact CA-O 3.31Å; V69-R92 HydrophobicContact CG2-CB 4.27Å; V69-F94 HydrophobicContact CG1-CD2 3.38Å; V69-F94 HydrophobicContact CG1-CE2 3.62Å
70L90.9Very high81.6Confident87 Ų8794 Ų9446%0.45549%0.492SS..EExtended strand (participates in β ladder)trans-106.8132.4173.1-173.465.5000109.8I72 R92 I93 F94L70-I72 HydrophobicContact CD2-CG2 3.93Å; L70-I72 HydrophobicContact CG-CG2 3.86Å; L70-R92 PolarHBondContact N-O 3.35Å; L70-I93 VanDerWaalsContact O-CA 3.31Å; L70-I93 WeakPolarHBondContact O-CA 3.38Å; L70-F94 PolarHBondContact O-N 3.11Å
71T91.8Very high83.6Confident82 Ų8293.6 Ų93.650%0.50348%0.479SS..EExtended strand (participates in β ladder)trans-114.7118.5176.6-61.10000109.7F94 K96T71-F94 WeakPolarHBondContact CA-O 3.43Å; T71-K96 HydrophobicContact CG2-CB 3.73Å
72I89.9Confident85.6Confident32 Ų3293.1 Ų93.116%0.16447%0.473CS..EExtended strand (participates in β ladder)trans-128.2157.9-176.864.6177.9000111.6L70 L82 I93 F94 F95 K96L70-I72 HydrophobicContact CD2-CG2 3.93Å; L70-I72 HydrophobicContact CG-CG2 3.86Å; I72-L82 HydrophobicContact CD1-CB 4.46Å; I72-L82 HydrophobicContact CD1-CD1 3.52Å; I72-I93 HydrophobicContact CD1-CD1 4.43Å; I72-I93 HydrophobicContact CD1-CG2 3.85Å; I72-I93 HydrophobicContact CG1-CG2 3.8Å; I72-F94 PolarHBondContact N-O 3.4Å; I72-F95 HydrophobicContact CD1-CE1 4.22Å; I72-F95 HydrophobicContact CG1-CD1 4.02Å; I72-F95 HydrophobicContact CG1-CE1 4.18Å; I72-F95 CarbonylContact O-C 3.54Å; I72-F95 VanDerWaalsContact O-CA 3.29Å; I72-F95 WeakPolarHBondContact O-CA 3.2Å; I72-K96 PolarHBondContact O-N 3.46Å
73P89.3Confident87.1Confident101 Ų10192.8 Ų92.866%0.65647%0.466SS*.EExtended strand (participates in β ladder)trans-57.4141.1166-2234000111.2Y75 K96P73-Y75 PolarHBondContact O-N 2.91Å; P73-K96 WeakPolarHBondContact CA-O 3.5Å
74Y88.9Confident88.5Confident128 Ų12892.9 Ų92.950%0.50246%0.46SS..  trans-68.3126171.5178.4-101.4000110.1V76 E80 F95Y74-V76 HydrophobicContact CE1-CB 4.39Å; Y74-E80 PolarHBondContact OH-OE1 2.78Å; Y74-F95 HydrophobicContact CD2-CD1 4.08Å; Y74-F95 AromaticContact CD2-CD2 3.96Å; Y74-F95 HydrophobicContact CD2-CD2 3.96Å; Y74-F95 HydrophobicContact CD2-CE1 4.28Å; Y74-F95 HydrophobicContact CD2-CE2 4.15Å; Y74-F95 AromaticContact CD2-CG 3.93Å; Y74-F95 HydrophobicContact CD2-CG 3.93Å; Y74-F95 HydrophobicContact CD2-CZ 4.32Å
75Y88.9Confident89.9Confident156 Ų15687.1 Ų87.161%0.61244%0.442SS*.  trans-130.9125.3169.8-168.1-86.8000108.3P73 G77 L78 G79P73-Y75 PolarHBondContact O-N 2.91Å; Y75-G77 PolarHBondContact O-N 2.95Å; Y75-L78 HydrophobicContact CD1-CB 3.68Å; Y75-L78 HydrophobicContact CD1-CD2 4.41Å; Y75-L78 HydrophobicContact CG-CB 4.38Å; Y75-L78 PolarHBondContact O-N 2.92Å; Y75-G79 PolarHBondContact O-N 3.48Å
76V92.2Very high91Very high103 Ų10382.9 Ų82.962%0.62442%0.42SS*.THydrogen-bonded Turntrans-59.9133.5-17562.40000111.1Y74 L78Y74-V76 HydrophobicContact CE1-CB 4.39Å; V76-L78 PolarHBondContact O-N 3.3Å
77G93.4Very high91.6Very high47 Ų4782.5 Ų82.549%0.48542%0.418SS..THydrogen-bonded Turntrans81.4-49.3-17800000113.2Y75 E80 H81Y75-G77 PolarHBondContact O-N 2.95Å; G77-E80 VanDerWaalsContact CA-OE2 3.28Å; G77-E80 WeakPolarHBondContact CA-OE2 3.2Å; G77-E80 PolarHBondContact N-OE2 3.27Å; G77-H81 VanDerWaalsContact O-CB 3.31Å; G77-H81 WeakPolarHBondContact O-CB 3.29Å; G77-H81 PolarHBondContact O-N 3.34Å
78L92.7Very high91.9Very high92 Ų9286 Ų8648%0.48243%0.433SS..Hα-helixtrans-70.1-43.5178.7-178.462.9000111.7Y75 V76 E80 H81 L82Y75-L78 HydrophobicContact CD1-CB 3.68Å; Y75-L78 HydrophobicContact CD1-CD2 4.41Å; Y75-L78 HydrophobicContact CG-CB 4.38Å; Y75-L78 PolarHBondContact O-N 2.92Å; V76-L78 PolarHBondContact O-N 3.3Å; L78-E80 PolarHBondContact O-N 3.14Å; L78-H81 PolarHBondContact O-N 2.96Å; L78-L82 HydrophobicContact CD1-CD1 4.12Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CD2-CD1 4.46Å; L78-L82 HydrophobicContact CG-CD1 3.86Å; L78-L82 HydrophobicContact CG-CG 4.26Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 VanDerWaalsContact O-CG 3.24Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 2.7Å
79G92.1Very high92Very high1 Ų188.5 Ų88.51%0.0143%0.432CS..Hα-helixtrans-61.7-46.3-177.300000112.3Y75 L82 Q83 F95Y75-G79 PolarHBondContact O-N 3.48Å; G79-L82 PolarHBondContact O-N 3.18Å; G79-Q83 WeakPolarHBondContact O-CB 3.37Å; G79-Q83 PolarHBondContact O-N 3.13Å; G79-F95 WeakPolarHBondContact O-CZ 3.34Å
80E93.5Very high92Very high66 Ų6686.1 Ų86.131%0.30842%0.423SS..Hα-helixtrans-67.3-37.5178.1-60.287.4162.200111.7Y74 G77 L78 Q83 R84Y74-E80 PolarHBondContact OH-OE1 2.78Å; G77-E80 VanDerWaalsContact CA-OE2 3.28Å; G77-E80 WeakPolarHBondContact CA-OE2 3.2Å; G77-E80 PolarHBondContact N-OE2 3.27Å; L78-E80 PolarHBondContact O-N 3.14Å; E80-Q83 PolarHBondContact O-N 2.79Å; E80-R84 WeakPolarHBondContact O-CB 3.44Å; E80-R84 PolarHBondContact O-N 2.91Å
81H95.4Very high92Very high95 Ų9584.9 Ų84.944%0.4441%0.414SS..Hα-helixtrans-62.4-49.4173.9-176.778.4000110.9G77 L78 Q83 R84 M85G77-H81 VanDerWaalsContact O-CB 3.31Å; G77-H81 WeakPolarHBondContact O-CB 3.29Å; G77-H81 PolarHBondContact O-N 3.34Å; L78-H81 PolarHBondContact O-N 2.96Å; H81-Q83 VanDerWaalsContact C-N 3.31Å; H81-Q83 PolarHBondContact O-N 3.42Å; H81-R84 WeakPolarHBondContact O-CB 3.43Å; H81-R84 PolarHBondContact O-N 3.2Å; H81-R84 VanDerWaalsContact O-N 3.16Å; H81-M85 WeakPolarHBondContact O-CG 3.48Å; H81-M85 PolarHBondContact O-N 2.87Å
82L94.1Very high92Very high56 Ų5684.8 Ų84.829%0.29341%0.405SS..Hα-helixtrans-61.8-39176.2-69173.9000111.5I72 L78 G79 R84 M85 G86 I93I72-L82 HydrophobicContact CD1-CB 4.46Å; I72-L82 HydrophobicContact CD1-CD1 3.52Å; L78-L82 HydrophobicContact CD1-CD1 4.12Å; L78-L82 HydrophobicContact CD1-CG 4.1Å; L78-L82 HydrophobicContact CD2-CD1 4.46Å; L78-L82 HydrophobicContact CG-CD1 3.86Å; L78-L82 HydrophobicContact CG-CG 4.26Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 VanDerWaalsContact O-CG 3.24Å; L78-L82 WeakPolarHBondContact O-CG 3.38Å; L78-L82 PolarHBondContact O-N 2.7Å; G79-L82 PolarHBondContact O-N 3.18Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 2.85Å; L82-M85 WeakPolarHBondContact O-CB 3.39Å; L82-M85 PolarHBondContact O-N 3.29Å; L82-G86 PolarHBondContact O-N 2.8Å; L82-I93 HydrophobicContact CB-CD1 3.37Å; L82-I93 WeakPolarHBondContact O-CD1 3.33Å
83Q94.2Very high92.1Very high64 Ų6483.8 Ų83.830%0.29940%0.399SS..Hα-helixtrans-65.9-34.3177.8-164-175.539.700111.9G79 E80 H81 G86 R87 I93 F95G79-Q83 WeakPolarHBondContact O-CB 3.37Å; G79-Q83 PolarHBondContact O-N 3.13Å; E80-Q83 PolarHBondContact O-N 2.79Å; H81-Q83 VanDerWaalsContact C-N 3.31Å; H81-Q83 PolarHBondContact O-N 3.42Å; Q83-G86 PolarHBondContact O-N 3.5Å; Q83-R87 PolarHBondContact O-N 3.02Å; Q83-R87 VanDerWaalsContact O-N 3.16Å; Q83-I93 HydrophobicContact CB-CB 4.47Å; Q83-I93 HydrophobicContact CG-CB 4.44Å; Q83-F95 HydrophobicContact CB-CZ 4.48Å
84R94.7Very high92.2Very high154 Ų15483.7 Ų83.758%0.58139%0.389SS*.Hα-helixtrans-67-45.2172.6-163.3-173.2-50.4163.35.4111.4E80 H81 L82 G86 R87 Q88E80-R84 WeakPolarHBondContact O-CB 3.44Å; E80-R84 PolarHBondContact O-N 2.91Å; H81-R84 WeakPolarHBondContact O-CB 3.43Å; H81-R84 PolarHBondContact O-N 3.2Å; H81-R84 VanDerWaalsContact O-N 3.16Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 2.85Å; R84-G86 VanDerWaalsContact C-N 3.31Å; R84-G86 PolarHBondContact O-N 3.44Å; R84-R87 PolarHBondContact O-N 3.12Å; R84-Q88 PolarHBondContact O-N 3.31Å
85M93.6Very high92.4Very high63 Ų6381 Ų8131%0.3138%0.38SS..Hα-helixtrans-56.7-46172.3-69.8-80.2-68.700110.9H81 L82 R87 Q88 Y89 F91H81-M85 WeakPolarHBondContact O-CG 3.48Å; H81-M85 PolarHBondContact O-N 2.87Å; L82-M85 WeakPolarHBondContact O-CB 3.39Å; L82-M85 PolarHBondContact O-N 3.29Å; M85-R87 VanDerWaalsContact C-N 3.32Å; M85-R87 PolarHBondContact O-N 3.33Å; M85-Q88 WeakPolarHBondContact O-CA 3.46Å; M85-Q88 WeakPolarHBondContact O-CB 3.26Å; M85-Q88 PolarHBondContact O-N 3.09Å; M85-Y89 HydrophobicContact CB-CD2 4.3Å; M85-Y89 HydrophobicContact CE-CD2 3.92Å; M85-Y89 HydrophobicContact CE-CE2 3.4Å; M85-Y89 VanDerWaalsContact O-CD2 3.23Å; M85-Y89 WeakPolarHBondContact O-CD2 3.3Å; M85-Y89 PolarHBondContact O-N 3.49Å; M85-Y89 HydrophobicContact SD-CD2 4.27Å; M85-Y89 HydrophobicContact SD-CE2 3.64Å; M85-F91 HydrophobicContact CB-CZ 4.43Å
86G92.1Very high92.2Very high1 Ų180.3 Ų80.31%0.0138%0.38CS..Hα-helixtrans-56.8-43.5177.200000113.2L82 Q83 R84 Q88 Y89 G90 F91L82-G86 PolarHBondContact O-N 2.8Å; Q83-G86 PolarHBondContact O-N 3.5Å; R84-G86 VanDerWaalsContact C-N 3.31Å; R84-G86 PolarHBondContact O-N 3.44Å; G86-Q88 VanDerWaalsContact C-N 3.26Å; G86-Q88 PolarHBondContact O-N 3.49Å; G86-Y89 PolarHBondContact O-N 3.41Å; G86-G90 PolarHBondContact O-N 3Å; G86-F91 CarbonylContact C-O 3.45Å; G86-F91 VanDerWaalsContact CA-CE2 3.43Å; G86-F91 VanDerWaalsContact CA-CZ 3.49Å; G86-F91 WeakPolarHBondContact CA-O 3.36Å; G86-F91 PolarHBondContact O-N 3.39Å
87R89.5Confident91.7Very high171 Ų17180.3 Ų80.365%0.64539%0.385SS*.Hα-helixtrans-60.5-35.3174.1-74.5-174.9-79.3-105.8-2.8112.9Q83 R84 M85Q83-R87 PolarHBondContact O-N 3.02Å; Q83-R87 VanDerWaalsContact O-N 3.16Å; R84-R87 PolarHBondContact O-N 3.12Å; M85-R87 VanDerWaalsContact C-N 3.32Å; M85-R87 PolarHBondContact O-N 3.33Å
88Q92.1Very high90.9Very high135 Ų13582.5 Ų82.563%0.63139%0.392SS*.Hα-helixtrans-76.8-41.5-179.7-177.9178.1-8.200112.8R84 M85 G86R84-Q88 PolarHBondContact O-N 3.31Å; M85-Q88 WeakPolarHBondContact O-CA 3.46Å; M85-Q88 WeakPolarHBondContact O-CB 3.26Å; M85-Q88 PolarHBondContact O-N 3.09Å; G86-Q88 VanDerWaalsContact C-N 3.26Å; G86-Q88 PolarHBondContact O-N 3.49Å
89Y92.3Very high90.2Very high145 Ų14581.9 Ų81.957%0.56939%0.394SS*.Hα-helixtrans-100.37.8-173.6-65.6-76.2000113.8M85 G86M85-Y89 HydrophobicContact CB-CD2 4.3Å; M85-Y89 HydrophobicContact CE-CD2 3.92Å; M85-Y89 HydrophobicContact CE-CE2 3.4Å; M85-Y89 VanDerWaalsContact O-CD2 3.23Å; M85-Y89 WeakPolarHBondContact O-CD2 3.3Å; M85-Y89 PolarHBondContact O-N 3.49Å; M85-Y89 HydrophobicContact SD-CD2 4.27Å; M85-Y89 HydrophobicContact SD-CE2 3.64Å; G86-Y89 PolarHBondContact O-N 3.41Å
90G90.1Very high89.5Confident30 Ų3086.6 Ų86.631%0.30942%0.419SS..THydrogen-bonded Turntrans7838.1173.200000114.9L67 P68 G86L67-G90 WeakPolarHBondContact CD2-O 3.37Å; P68-G90 WeakPolarHBondContact CD-O 3.49Å; G86-G90 PolarHBondContact O-N 3Å
91F91.8Very high88.8Confident61 Ų6191.2 Ų91.227%0.26844%0.439SS..  trans-134.9153.9169.462.9-92.2000112P68 M85 G86 I93P68-F91 HydrophobicContact CB-CB 4.29Å; P68-F91 CarbonylContact O-C 2.94Å; P68-F91 WeakPolarHBondContact O-CA 3.48Å; P68-F91 WeakPolarHBondContact O-CB 3.43Å; M85-F91 HydrophobicContact CB-CZ 4.43Å; G86-F91 CarbonylContact C-O 3.45Å; G86-F91 VanDerWaalsContact CA-CE2 3.43Å; G86-F91 VanDerWaalsContact CA-CZ 3.49Å; G86-F91 WeakPolarHBondContact CA-O 3.36Å; G86-F91 PolarHBondContact O-N 3.39Å; F91-I93 HydrophobicContact CD2-CD1 4.48Å; F91-I93 HydrophobicContact CD2-CG1 3.99Å; F91-I93 HydrophobicContact CE2-CD1 3.84Å; F91-I93 HydrophobicContact CE2-CG1 3.84Å
92R90.8Very high88.1Confident79 Ų7993.8 Ų93.830%0.29844%0.444SS..EExtended strand (participates in β ladder)trans-102.4135.1-178-69.317163.6178.23.4110.1R64 D65 L67 P68 V69 L70 F94R64-R92 VanDerWaalsContact O-CD 3.25Å; R64-R92 WeakPolarHBondContact O-CD 3.2Å; R64-R92 PolarHBondContact O-NH1 3.31Å; D65-R92 IonicContact OD1-NH1 3.74Å; D65-R92 PolarHBondContact OD1-NH1 2.89Å; D65-R92 VanDerWaalsContact OD1-NH1 3.08Å; L67-R92 HydrophobicContact CB-CG 4.23Å; L67-R92 HydrophobicContact CD1-CG 4.3Å; P68-R92 PolarHBondContact O-N 3.49Å; V69-R92 CarbonylContact C-O 3.6Å; V69-R92 WeakPolarHBondContact CA-O 3.31Å; V69-R92 HydrophobicContact CG2-CB 4.27Å; L70-R92 PolarHBondContact N-O 3.35Å; R92-F94 HydrophobicContact CB-CE2 4.42Å; R92-F94 VanDerWaalsContact NH2-CZ 3.35Å
93I92.3Very high87.5Confident11 Ų1194 Ų946%0.05645%0.451CS..EExtended strand (participates in β ladder)trans-108.2127.7171.9-57.2-166.6000110.1L70 I72 L82 Q83 F91 F95L70-I93 VanDerWaalsContact O-CA 3.31Å; L70-I93 WeakPolarHBondContact O-CA 3.38Å; I72-I93 HydrophobicContact CD1-CD1 4.43Å; I72-I93 HydrophobicContact CD1-CG2 3.85Å; I72-I93 HydrophobicContact CG1-CG2 3.8Å; L82-I93 HydrophobicContact CB-CD1 3.37Å; L82-I93 WeakPolarHBondContact O-CD1 3.33Å; Q83-I93 HydrophobicContact CB-CB 4.47Å; Q83-I93 HydrophobicContact CG-CB 4.44Å; F91-I93 HydrophobicContact CD2-CD1 4.48Å; F91-I93 HydrophobicContact CD2-CG1 3.99Å; F91-I93 HydrophobicContact CE2-CD1 3.84Å; F91-I93 HydrophobicContact CE2-CG1 3.84Å; I93-F95 HydrophobicContact CG2-CD1 4.34Å; I93-F95 HydrophobicContact CG2-CE1 3.92Å; I93-F95 HydrophobicContact CG2-CZ 4.38Å
94F92Very high86.8Confident100 Ų10097.5 Ų97.544%0.43947%0.465SS..EExtended strand (participates in β ladder)trans-111.6145.1164.4-71-90000110.3V69 L70 T71 I72 R92V69-F94 HydrophobicContact CG1-CD2 3.38Å; V69-F94 HydrophobicContact CG1-CE2 3.62Å; L70-F94 PolarHBondContact O-N 3.11Å; T71-F94 WeakPolarHBondContact CA-O 3.43Å; I72-F94 PolarHBondContact N-O 3.4Å; R92-F94 HydrophobicContact CB-CE2 4.42Å; R92-F94 VanDerWaalsContact NH2-CZ 3.35Å
95F92.2Very high86.1Confident70 Ų7094.3 Ų94.331%0.30746%0.463SS..EExtended strand (participates in β ladder)trans-93.9125.9175.2-57.2-60000110.4I72 Y74 G79 Q83 I93I72-F95 HydrophobicContact CD1-CE1 4.22Å; I72-F95 HydrophobicContact CG1-CD1 4.02Å; I72-F95 HydrophobicContact CG1-CE1 4.18Å; I72-F95 CarbonylContact O-C 3.54Å; I72-F95 VanDerWaalsContact O-CA 3.29Å; I72-F95 WeakPolarHBondContact O-CA 3.2Å; Y74-F95 HydrophobicContact CD2-CD1 4.08Å; Y74-F95 AromaticContact CD2-CD2 3.96Å; Y74-F95 HydrophobicContact CD2-CD2 3.96Å; Y74-F95 HydrophobicContact CD2-CE1 4.28Å; Y74-F95 HydrophobicContact CD2-CE2 4.15Å; Y74-F95 AromaticContact CD2-CG 3.93Å; Y74-F95 HydrophobicContact CD2-CG 3.93Å; Y74-F95 HydrophobicContact CD2-CZ 4.32Å; G79-F95 WeakPolarHBondContact O-CZ 3.34Å; Q83-F95 HydrophobicContact CB-CZ 4.48Å; I93-F95 HydrophobicContact CG2-CD1 4.34Å; I93-F95 HydrophobicContact CG2-CE1 3.92Å; I93-F95 HydrophobicContact CG2-CZ 4.38Å
96K85.5Confident85.3Confident143 Ų14396.5 Ų96.562%0.62247%0.467SS*.EExtended strand (participates in β ladder)trans-91131.9166.2-163.9178.7178.6177.80108T71 I72 P73T71-K96 HydrophobicContact CG2-CB 3.73Å; I72-K96 PolarHBondContact O-N 3.46Å; P73-K96 WeakPolarHBondContact CA-O 3.5Å
97S80.8Confident84.1Confident102 Ų102102.5 Ų102.571%0.71350%0.499SS*.PPolyproline II helixtrans-63.1149.5166.345.30000110
98S77.1Confident83.5Confident93 Ų9398.6 Ų98.665%0.6549%0.491SS*.PPolyproline II helixtrans-55.6154.2165.449.50000109.7N100S98-N100 PolarHBondContact O-N 2.96Å
99P77.2Confident82.7Confident79 Ų7999.7 Ų99.751%0.51349%0.494SS..PPolyproline II helixtrans-49.4132.9172.1-21.530.9000109S103 F104P99-S103 VanDerWaalsContact CB-OG 3.25Å; P99-S103 WeakPolarHBondContact CB-OG 3.1Å; P99-F104 HydrophobicContact CB-CE2 3.75Å; P99-F104 HydrophobicContact CB-CZ 3.98Å; P99-F104 HydrophobicContact CG-CE2 4.26Å; P99-F104 HydrophobicContact CG-CZ 4.04Å; P99-F104 WeakPolarHBondContact O-CE2 3.46Å
100N78.9Confident82Confident101 Ų101100.1 Ų100.154%0.5450%0.504SS..PPolyproline II helixtrans-58.7146.9-178.452.835000109.8S98 R102 S103S98-N100 PolarHBondContact O-N 2.96Å; N100-R102 PolarHBondContact O-N 2.93Å; N100-S103 WeakPolarHBondContact O-CB 3.47Å; N100-S103 PolarHBondContact O-N 3.16Å; N100-S103 PolarHBondContact O-OG 2.9Å; N100-S103 VanDerWaalsContact OD1-CB 3.31Å; N100-S103 WeakPolarHBondContact OD1-CB 3.37Å; N100-S103 PolarHBondContact OD1-N 3.04Å; N100-S103 PolarHBondContact OD1-OG 2.91Å
101F77.9Confident81.5Confident163 Ų163107 Ų10772%0.71553%0.525SS*.Hα-helixtrans-51.6-33.5177.7-175.1-113.8000111.9S103 F104 V105F101-S103 VanDerWaalsContact C-N 3.29Å; F101-S103 PolarHBondContact O-N 3.29Å; F101-F104 PolarHBondContact O-N 3.49Å; F101-V105 HydrophobicContact CD1-CG2 3.77Å; F101-V105 HydrophobicContact CD2-CG2 4.12Å; F101-V105 HydrophobicContact CE1-CB 4.44Å; F101-V105 HydrophobicContact CE1-CG2 3.33Å; F101-V105 HydrophobicContact CE2-CG2 3.7Å; F101-V105 HydrophobicContact CG-CG2 4.15Å; F101-V105 HydrophobicContact CZ-CG2 3.28Å; F101-V105 PolarHBondContact O-N 2.97Å
102R80.6Confident81.1Confident149 Ų149107 Ų10756%0.56253%0.53SS*.Hα-helixtrans-52.3-42.3171.6-172.4179.1-178.9114.5-8.7112.6N100 F104 V105 R106N100-R102 PolarHBondContact O-N 2.93Å; R102-F104 VanDerWaalsContact C-N 3.31Å; R102-F104 PolarHBondContact O-N 3.04Å; R102-V105 PolarHBondContact O-N 3.08Å; R102-R106 HydrophobicContact CG-CB 4.47Å; R102-R106 HydrophobicContact CG-CG 4.01Å; R102-R106 VanDerWaalsContact NH2-NH2 3.14Å; R102-R106 WeakPolarHBondContact O-CA 3.3Å; R102-R106 WeakPolarHBondContact O-CB 3.13Å; R102-R106 PolarHBondContact O-N 3.25Å
103S81Confident80.8Confident61 Ų61105.6 Ų105.643%0.42753%0.532SS..Hα-helixtrans-67.2-26.9177.867.40000114.1P99 N100 F101P99-S103 VanDerWaalsContact CB-OG 3.25Å; P99-S103 WeakPolarHBondContact CB-OG 3.1Å; N100-S103 WeakPolarHBondContact O-CB 3.47Å; N100-S103 PolarHBondContact O-N 3.16Å; N100-S103 PolarHBondContact O-OG 2.9Å; N100-S103 VanDerWaalsContact OD1-CB 3.31Å; N100-S103 WeakPolarHBondContact OD1-CB 3.37Å; N100-S103 PolarHBondContact OD1-N 3.04Å; N100-S103 PolarHBondContact OD1-OG 2.91Å; F101-S103 VanDerWaalsContact C-N 3.29Å; F101-S103 PolarHBondContact O-N 3.29Å
104F79.7Confident80.3Confident136 Ų136109.7 Ų109.760%0.59655%0.549SS*.Hα-helixtrans-81.6-39.8175.5-67-75.9000112.1P99 F101 R102P99-F104 HydrophobicContact CB-CE2 3.75Å; P99-F104 HydrophobicContact CB-CZ 3.98Å; P99-F104 HydrophobicContact CG-CE2 4.26Å; P99-F104 HydrophobicContact CG-CZ 4.04Å; P99-F104 WeakPolarHBondContact O-CE2 3.46Å; F101-F104 PolarHBondContact O-N 3.49Å; R102-F104 VanDerWaalsContact C-N 3.31Å; R102-F104 PolarHBondContact O-N 3.04Å
105V80.9Confident79.8Confident88 Ų88109.7 Ų109.753%0.53355%0.551SS.*Hα-helixtrans-85.7-33.7-176.7179.80000112.8F101 R102 N107F101-V105 HydrophobicContact CD1-CG2 3.77Å; F101-V105 HydrophobicContact CD2-CG2 4.12Å; F101-V105 HydrophobicContact CE1-CB 4.44Å; F101-V105 HydrophobicContact CE1-CG2 3.33Å; F101-V105 HydrophobicContact CE2-CG2 3.7Å; F101-V105 HydrophobicContact CG-CG2 4.15Å; F101-V105 HydrophobicContact CZ-CG2 3.28Å; F101-V105 PolarHBondContact O-N 2.97Å; R102-V105 PolarHBondContact O-N 3.08Å; V105-N107 PolarHBondContact O-N 3.49Å
106R75.6Confident79.5Confident109 Ų109111.4 Ų111.441%0.41156%0.56SS.*  trans-79.291.9178.4-84-164.2167-142.30.1111.4R102 D108R102-R106 HydrophobicContact CG-CB 4.47Å; R102-R106 HydrophobicContact CG-CG 4.01Å; R102-R106 VanDerWaalsContact NH2-NH2 3.14Å; R102-R106 WeakPolarHBondContact O-CA 3.3Å; R102-R106 WeakPolarHBondContact O-CB 3.13Å; R102-R106 PolarHBondContact O-N 3.25Å; R106-D108 VanDerWaalsContact C-N 3.32Å; R106-D108 WeakPolarHBondContact CB-OD1 3.48Å; R106-D108 WeakPolarHBondContact CD-OD1 3.33Å; R106-D108 VanDerWaalsContact CG-OD1 3.28Å; R106-D108 WeakPolarHBondContact CG-OD1 3.45Å; R106-D108 IonicContact CZ-OD2 3.87Å; R106-D108 IonicContact NE-OD1 3.37Å; R106-D108 IonicContact NE-OD2 2.7Å; R106-D108 PolarHBondContact NE-OD2 2.91Å; R106-D108 IonicContact NH1-OD1 3.58Å; R106-D108 IonicContact NH1-OD2 2.71Å; R106-D108 PolarHBondContact NH1-OD2 3.45Å; R106-D108 IonicContact NH2-OD2 3.55Å
107N68.4Low79.6Confident126 Ų126108.5 Ų108.567%0.67455%0.545SS*.  trans-93.18.5155-65.5-41.9000112.2V105 K109V105-N107 PolarHBondContact O-N 3.49Å; N107-K109 PolarHBondContact O-N 3.36Å
108D76.8Confident80.1Confident90 Ų90106.7 Ų106.748%0.48153%0.531SS..  trans-66.6-21.9-177.269.8-31.8000113.7R106 I110R106-D108 VanDerWaalsContact C-N 3.32Å; R106-D108 WeakPolarHBondContact CB-OD1 3.48Å; R106-D108 WeakPolarHBondContact CD-OD1 3.33Å; R106-D108 VanDerWaalsContact CG-OD1 3.28Å; R106-D108 WeakPolarHBondContact CG-OD1 3.45Å; R106-D108 IonicContact CZ-OD2 3.87Å; R106-D108 IonicContact NE-OD1 3.37Å; R106-D108 IonicContact NE-OD2 2.7Å; R106-D108 PolarHBondContact NE-OD2 2.91Å; R106-D108 IonicContact NH1-OD1 3.58Å; R106-D108 IonicContact NH1-OD2 2.71Å; R106-D108 PolarHBondContact NH1-OD2 3.45Å; R106-D108 IonicContact NH2-OD2 3.55Å; D108-I110 PolarHBondContact O-N 3.13Å
109K75.3Confident80.8Confident158 Ų158102.7 Ų102.769%0.68750%0.504SS*.SBendtrans-76.7116.3173.1-69-171175.7-172.40109.4N107 K111N107-K109 PolarHBondContact O-N 3.36Å; K109-K111 PolarHBondContact O-N 3Å
110I77.1Confident81.7Confident154 Ų15499.2 Ų99.279%0.7948%0.481SS*.  trans-52.3116.5169.9-60.4169.6000108.2D108 V112D108-I110 PolarHBondContact O-N 3.13Å; I110-V112 PolarHBondContact O-N 2.84Å; I110-V112 VanDerWaalsContact O-N 3.08Å
111K80.3Confident82.4Confident173 Ų17394.4 Ų94.475%0.75246%0.456SS*.  trans-72103.5170.2-70.1-179.9-177.1173.70106.8K109 P113K109-K111 PolarHBondContact O-N 3Å; K111-P113 WeakPolarHBondContact O-CD 3.23Å
112V82Confident83.2Confident61 Ų6186.7 Ų86.737%0.3742%0.422SS..  trans-60.1125.4173.8-175.30000108I110 Q116 R117I110-V112 PolarHBondContact O-N 2.84Å; I110-V112 VanDerWaalsContact O-N 3.08Å; V112-Q116 HydrophobicContact CG1-CB 3.61Å; V112-Q116 WeakPolarHBondContact CG1-O 3.33Å; V112-R117 HydrophobicContact CB-CG 4.23Å; V112-R117 HydrophobicContact CG1-CG 4.04Å; V112-R117 PolarHBondContact O-NE 3.2Å; V112-R117 PolarHBondContact O-NH2 3.06Å
113P85Confident83.9Confident51 Ų5179.6 Ų79.633%0.33140%0.395SS..  trans-51.9152.3173.7-25.934.6000111K111 E115 Q116 R117K111-P113 WeakPolarHBondContact O-CD 3.23Å; P113-E115 VanDerWaalsContact CB-OE2 3.31Å; P113-E115 WeakPolarHBondContact CB-OE2 3.5Å; P113-E115 PolarHBondContact O-N 3.37Å; P113-Q116 PolarHBondContact O-N 3.34Å; P113-Q116 VanDerWaalsContact O-N 3.12Å; P113-R117 WeakPolarHBondContact O-CG 3.19Å; P113-R117 PolarHBondContact O-N 3.33Å
114F81.5Confident84.7Confident97 Ų9776.9 Ų76.943%0.42538%0.376SS..G310 helixtrans-57.2-36.7-175176.6-97.4000111.9Q116 R117 I205 R208F114-Q116 VanDerWaalsContact C-N 3.28Å; F114-Q116 PolarHBondContact O-N 3.22Å; F114-R117 PolarHBondContact O-N 3.01Å; F114-I205 HydrophobicContact CE1-CG2 4.29Å; F114-R208 HydrophobicContact CE2-CB 4.39Å
115E81.6Confident85.4Confident99 Ų9972.7 Ų72.746%0.46336%0.36SS..G310 helixtrans-69.8-23-176.4-5570.7-150.500113P113P113-E115 VanDerWaalsContact CB-OE2 3.31Å; P113-E115 WeakPolarHBondContact CB-OE2 3.5Å; P113-E115 PolarHBondContact O-N 3.37Å
116Q85.7Confident86.1Confident106 Ų10668.8 Ų68.850%0.49534%0.336SS..G310 helixtrans-103.66-177.9-63.6-179.712.200112.5V112 P113 F114 T139V112-Q116 HydrophobicContact CG1-CB 3.61Å; V112-Q116 WeakPolarHBondContact CG1-O 3.33Å; P113-Q116 PolarHBondContact O-N 3.34Å; P113-Q116 VanDerWaalsContact O-N 3.12Å; F114-Q116 VanDerWaalsContact C-N 3.28Å; F114-Q116 PolarHBondContact O-N 3.22Å; Q116-T139 WeakPolarHBondContact O-CG2 3.36Å
117R87.2Confident87Confident82 Ų8267.5 Ų67.531%0.30934%0.338SS..  trans-79.2145179.5-73173.8-171.5179.92.8111.3V112 P113 F114V112-R117 HydrophobicContact CB-CG 4.23Å; V112-R117 HydrophobicContact CG1-CG 4.04Å; V112-R117 PolarHBondContact O-NE 3.2Å; V112-R117 PolarHBondContact O-NH2 3.06Å; P113-R117 WeakPolarHBondContact O-CG 3.19Å; P113-R117 PolarHBondContact O-N 3.33Å; F114-R117 PolarHBondContact O-N 3.01Å
118P92.4Very high88.2Confident65 Ų6563.3 Ų63.342%0.42232%0.318SS..SBendtrans-77.3165.7172.431.9-35000112.4G137 N138P118-G137 VanDerWaalsContact CB-O 3.31Å; P118-G137 WeakPolarHBondContact CB-O 3.46Å; P118-N138 VanDerWaalsContact CA-O 3.29Å; P118-N138 WeakPolarHBondContact CA-O 3.44Å
119G92.2Very high88.8Confident9 Ų966.4 Ų66.49%0.09333%0.334CS..SBendtrans76.167.8177.200000110.8T136 N138 R208 E209G119-T136 WeakPolarHBondContact CA-O 3.32Å; G119-T136 PolarHBondContact N-O 3.01Å; G119-N138 PolarHBondContact N-O 3.41Å; G119-R208 VanDerWaalsContact O-CG 3.3Å; G119-R208 WeakPolarHBondContact O-CG 3.49Å; G119-E209 CarbonylContact C-O 3.59Å; G119-E209 VanDerWaalsContact C-O 3.23Å; G119-E209 WeakPolarHBondContact CA-O 3.47Å; G119-E209 CarbonylContact O-C 3.57Å; G119-E209 PolarHBondContact O-N 3.45Å
120V94.4Very high89.7Confident5 Ų559.7 Ų59.73%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-131.7143.4-174.9-61.80000111.2E135 T136 L140 I205V120-E135 WeakPolarHBondContact O-CA 3.15Å; V120-T136 HydrophobicContact CG2-CG2 3.56Å; V120-T136 PolarHBondContact N-O 3.45Å; V120-T136 PolarHBondContact O-N 3.22Å; V120-L140 HydrophobicContact CG2-CB 4.23Å; V120-I205 HydrophobicContact CB-CG1 4.48Å; V120-I205 HydrophobicContact CB-CG2 4.17Å; V120-I205 HydrophobicContact CG1-CD1 4.15Å; V120-I205 HydrophobicContact CG1-CG1 4.48Å; V120-I205 HydrophobicContact CG1-CG2 4.19Å
121V94.8Very high90.5Very high1 Ų153.4 Ų53.41%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-96.7126.8162.2-174.10000106.6I133 G134 E135 I206 C207 K218 E219 F222V121-I133 HydrophobicContact CG1-CG2 4.39Å; V121-G134 CarbonylContact C-O 3.57Å; V121-G134 WeakPolarHBondContact CA-O 3.03Å; V121-E135 HydrophobicContact CG2-CB 4.37Å; V121-I206 HydrophobicContact CG1-CD1 4.3Å; V121-I206 WeakPolarHBondContact O-CB 3.38Å; V121-I206 PolarHBondContact O-N 3.34Å; V121-C207 PolarHBondContact N-O 3.47Å; V121-C207 PolarHBondContact O-N 2.97Å; V121-K218 HydrophobicContact CG2-CB 3.98Å; V121-E219 HydrophobicContact CG1-CB 4.28Å; V121-F222 HydrophobicContact CG1-CD2 4.15Å
122Y94.8Very high91.3Very high0 Ų046.3 Ų46.30%025%0.247CC..EExtended strand (participates in β ladder)trans-130.1161.5-169.968-90.2000111.2I124 Y132 I133 G134 T136 L140 R143 H147 S204Y122-I124 HydrophobicContact CD2-CD1 4.22Å; Y122-I124 HydrophobicContact CD2-CG1 3.89Å; Y122-I124 HydrophobicContact CE2-CD1 3.62Å; Y122-I124 HydrophobicContact CE2-CG1 3.8Å; Y122-Y132 HydrophobicContact CE2-CD1 4.13Å; Y122-Y132 HydrophobicContact CE2-CE1 4.07Å; Y122-I133 WeakPolarHBondContact O-CA 3.44Å; Y122-G134 WeakPolarHBondContact CD1-O 3.45Å; Y122-G134 VanDerWaalsContact CE1-C 3.43Å; Y122-G134 WeakPolarHBondContact CE1-O 3.47Å; Y122-G134 PolarHBondContact N-O 3Å; Y122-G134 PolarHBondContact O-N 3.01Å; Y122-T136 HydrophobicContact CD1-CG2 3.92Å; Y122-T136 HydrophobicContact CE1-CG2 3.92Å; Y122-L140 VanDerWaalsContact CB-CD1 3.5Å; Y122-L140 HydrophobicContact CD1-CD1 4.08Å; Y122-L140 HydrophobicContact CD2-CD1 3.51Å; Y122-L140 HydrophobicContact CE2-CD1 4.24Å; Y122-L140 HydrophobicContact CG-CD1 3.42Å; Y122-L140 VanDerWaalsContact CG-CD1 3.42Å; Y122-R143 HydrophobicContact CE1-CB 4.44Å; Y122-R143 HydrophobicContact CE1-CG 3.67Å; Y122-R143 HydrophobicContact CE2-CG 4.44Å; Y122-R143 VanDerWaalsContact CZ-CG 3.48Å; Y122-R143 WeakPolarHBondContact OH-CG 3.27Å; Y122-R143 PolarHBondContact OH-NE 2.91Å; Y122-R143 VanDerWaalsContact OH-NE 3.14Å; Y122-H147 AromaticContact CZ-NE2 3.94Å; Y122-H147 PolarHBondContact OH-NE2 2.68Å; Y122-S204 CarbonylContact C-O 3.59Å; Y122-S204 VanDerWaalsContact CA-O 3.28Å; Y122-S204 WeakPolarHBondContact CA-O 3.46Å; Y122-S204 VanDerWaalsContact CB-O 3.32Å; Y122-S204 WeakPolarHBondContact CB-O 3.41Å
123V95.9Very high92Very high1 Ų143.4 Ų43.41%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-123141.2169.462.10000109.3N125 Y132 I133 P203 S204 I206 I253V123-N125 VanDerWaalsContact CG2-OD1 3.25Å; V123-N125 WeakPolarHBondContact CG2-OD1 3.37Å; V123-Y132 CarbonylContact C-O 3.42Å; V123-Y132 VanDerWaalsContact CA-O 3.24Å; V123-Y132 WeakPolarHBondContact CA-O 3.3Å; V123-I133 HydrophobicContact CG2-CG1 4.26Å; V123-P203 CarbonylContact O-C 3.58Å; V123-P203 WeakPolarHBondContact O-CA 3.38Å; V123-S204 WeakPolarHBondContact CG1-OG 3.46Å; V123-S204 PolarHBondContact N-O 3.44Å; V123-S204 PolarHBondContact O-N 3.42Å; V123-I206 HydrophobicContact CB-CD1 4.03Å; V123-I206 HydrophobicContact CB-CG1 4.11Å; V123-I206 HydrophobicContact CG1-CD1 4.44Å; V123-I206 HydrophobicContact CG1-CG1 4.01Å; V123-I253 HydrophobicContact CB-CD1 4.23Å; V123-I253 HydrophobicContact CG1-CG2 4.36Å; V123-I253 HydrophobicContact CG2-CD1 4.12Å
124I96Very high92.5Very high3 Ų341 Ų412%0.01521%0.213CC..EExtended strand (participates in β ladder)trans-113.1108.4167.8-60.2169.8000106.4Y122 S131 Y132 F144 V190 L201 P203Y122-I124 HydrophobicContact CD2-CD1 4.22Å; Y122-I124 HydrophobicContact CD2-CG1 3.89Å; Y122-I124 HydrophobicContact CE2-CD1 3.62Å; Y122-I124 HydrophobicContact CE2-CG1 3.8Å; I124-S131 CarbonylContact O-C 3.55Å; I124-S131 WeakPolarHBondContact O-CA 3.29Å; I124-Y132 HydrophobicContact CD1-CD1 4.3Å; I124-Y132 PolarHBondContact N-O 2.73Å; I124-Y132 PolarHBondContact O-N 3.15Å; I124-F144 HydrophobicContact CD1-CD2 3.87Å; I124-F144 HydrophobicContact CD1-CE2 4.43Å; I124-F144 HydrophobicContact CG1-CD2 4.27Å; I124-F144 HydrophobicContact CG2-CE2 4.2Å; I124-V190 HydrophobicContact CD1-CG2 3.93Å; I124-V190 HydrophobicContact CG2-CG1 4.43Å; I124-L201 HydrophobicContact CG2-CB 3.97Å; I124-L201 HydrophobicContact CG2-CD2 4.03Å; I124-L201 HydrophobicContact CG2-CG 4.43Å; I124-P203 HydrophobicContact CG1-CB 4.19Å
125N95.7Very high93.1Very high48 Ų4838 Ų3826%0.25720%0.2SC..EExtended strand (participates in β ladder)trans-88.3137175.4-66.6-33.9000109.6V123 S131 L201 H202V123-N125 VanDerWaalsContact CG2-OD1 3.25Å; V123-N125 WeakPolarHBondContact CG2-OD1 3.37Å; N125-S131 WeakPolarHBondContact OD1-CB 3.26Å; N125-S131 PolarHBondContact OD1-OG 3.42Å; N125-L201 CarbonylContact O-C 3.43Å; N125-L201 WeakPolarHBondContact O-CA 3.27Å; N125-H202 PolarHBondContact N-O 2.86Å; N125-H202 PolarHBondContact O-N 3.5Å
126C95.2Very high93.7Very high7 Ų734 Ų345%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-103.2146.3166.7-1750000108.9C128 N129 A130 D200 L201C126-C128 PolarHBondContact O-N 3.41Å; C126-N129 PolarHBondContact O-N 3.27Å; C126-A130 HydrophobicContact CB-CB 4.39Å; C126-A130 PolarHBondContact N-O 3.17Å; C126-D200 WeakPolarHBondContact CA-O 3.37Å; C126-L201 HydrophobicContact CB-CD2 3.73Å
127D94.4Very high94Very high82 Ų8231.7 Ų31.744%0.43919%0.188SC..THydrogen-bonded Turntrans-63.8-5.3178-51.2-38.4000113.6N129 R199 D200 H202D127-N129 PolarHBondContact O-N 3.09Å; D127-R199 HydrophobicContact CB-CB 4.05Å; D127-R199 HydrophobicContact CB-CG 4.45Å; D127-D200 PolarHBondContact N-O 3.21Å; D127-D200 WeakPolarHBondContact OD2-CB 3.41Å; D127-D200 PolarHBondContact OD2-N 3.25Å; D127-H202 IonicContact OD1-CD2 3.2Å; D127-H202 PolarHBondContact OD1-CD2 3.47Å; D127-H202 VanDerWaalsContact OD1-CD2 3.31Å; D127-H202 IonicContact OD1-NE2 3.31Å; D127-H202 PolarHBondContact OD1-NE2 3.2Å
128C93Very high94.2Very high37 Ų3732 Ų3225%0.2520%0.195CC..THydrogen-bonded Turntrans-80.36.4168.673.40000114.1C126 A130 H193C126-C128 PolarHBondContact O-N 3.41Å; C128-A130 PolarHBondContact O-N 3.36Å; C128-A130 WeakPolarHBondContact SG-CB 3.38Å; C128-H193 PolarHBondContact SG-CE1 2.96Å; C128-H193 PolarHBondContact SG-NE2 3.05Å
129N90.9Very high94.2Very high156 Ų15630.1 Ų30.183%0.83418%0.183SC*.SBendtrans67.613.7-171.6-55.1-46.7000114.9C126 D127C126-N129 PolarHBondContact O-N 3.27Å; D127-N129 PolarHBondContact O-N 3.09Å
130A93.5Very high94.4Very high17 Ų1729.8 Ų29.814%0.1418%0.179CC..  trans-82.7138.5167.500000110.2C126 C128 I229C126-A130 HydrophobicContact CB-CB 4.39Å; C126-A130 PolarHBondContact N-O 3.17Å; C128-A130 PolarHBondContact O-N 3.36Å; C128-A130 WeakPolarHBondContact SG-CB 3.38Å; A130-I229 HydrophobicContact CB-CG2 3.75Å
131S95.2Very high94.4Very high21 Ų2134.5 Ų34.515%0.14720%0.199CC..EExtended strand (participates in β ladder)trans-124.9135.5177.5-62.30000110.1I124 N125 S228 I229I124-S131 CarbonylContact O-C 3.55Å; I124-S131 WeakPolarHBondContact O-CA 3.29Å; N125-S131 WeakPolarHBondContact OD1-CB 3.26Å; N125-S131 PolarHBondContact OD1-OG 3.42Å; S131-S228 CarbonylContact O-C 3.57Å; S131-S228 WeakPolarHBondContact O-CA 3.26Å; S131-S228 VanDerWaalsContact O-CB 3.26Å; S131-S228 WeakPolarHBondContact O-CB 3.18Å; S131-I229 WeakPolarHBondContact O-CG1 3.34Å; S131-I229 PolarHBondContact O-N 3Å
132Y96.6Very high94.4Very high25 Ų2537.6 Ų37.610%0.09822%0.216CC..EExtended strand (participates in β ladder)trans-106.8130.8167.8174.3-91.9000108.7Y122 V123 I124 H147 A189 V190 I229Y122-Y132 HydrophobicContact CE2-CD1 4.13Å; Y122-Y132 HydrophobicContact CE2-CE1 4.07Å; V123-Y132 CarbonylContact C-O 3.42Å; V123-Y132 VanDerWaalsContact CA-O 3.24Å; V123-Y132 WeakPolarHBondContact CA-O 3.3Å; I124-Y132 HydrophobicContact CD1-CD1 4.3Å; I124-Y132 PolarHBondContact N-O 2.73Å; I124-Y132 PolarHBondContact O-N 3.15Å; Y132-H147 AromaticContact CE1-CE1 3.92Å; Y132-H147 AromaticContact CE1-NE2 3.88Å; Y132-A189 HydrophobicContact CD2-CB 3.95Å; Y132-A189 HydrophobicContact CE2-CB 3.79Å; Y132-V190 HydrophobicContact CD1-CG2 3.61Å; Y132-V190 HydrophobicContact CD2-CG2 3.96Å; Y132-V190 HydrophobicContact CE1-CG2 4.27Å; Y132-V190 HydrophobicContact CG-CG2 3.43Å; Y132-V190 VanDerWaalsContact CG-CG2 3.43Å; Y132-I229 HydrophobicContact CD2-CG1 4.27Å
133I96.3Very high94.5Very high0 Ų040.7 Ų40.70%023%0.227CC..EExtended strand (participates in β ladder)trans-107.4135.6177.6-63.5160.2000107.5V121 Y122 V123 I206 E219 F222 I223 N226 N230 I253V121-I133 HydrophobicContact CG1-CG2 4.39Å; Y122-I133 WeakPolarHBondContact O-CA 3.44Å; V123-I133 HydrophobicContact CG2-CG1 4.26Å; I133-I206 HydrophobicContact CG2-CD1 4.3Å; I133-E219 HydrophobicContact CG2-CG 4.32Å; I133-F222 HydrophobicContact CD1-CB 4.12Å; I133-F222 HydrophobicContact CG2-CB 3.85Å; I133-I223 HydrophobicContact CB-CG1 3.94Å; I133-I223 HydrophobicContact CD1-CG1 4.44Å; I133-I223 HydrophobicContact CG2-CG1 4.05Å; I133-N226 HydrophobicContact CD1-CB 4.02Å; I133-N230 PolarHBondContact N-OD1 3.42Å; I133-N230 PolarHBondContact O-ND2 3.25Å; I133-N230 PolarHBondContact O-OD1 2.88Å; I133-I253 HydrophobicContact CD1-CD1 3.68Å; I133-I253 HydrophobicContact CG1-CD1 3.84Å
134G95.2Very high94.5Very high0 Ų042.5 Ų42.50%024%0.235CC..EExtended strand (participates in β ladder)trans-145.5154.4-178.300000112.2V121 Y122 E219V121-G134 CarbonylContact C-O 3.57Å; V121-G134 WeakPolarHBondContact CA-O 3.03Å; Y122-G134 WeakPolarHBondContact CD1-O 3.45Å; Y122-G134 VanDerWaalsContact CE1-C 3.43Å; Y122-G134 WeakPolarHBondContact CE1-O 3.47Å; Y122-G134 PolarHBondContact N-O 3Å; Y122-G134 PolarHBondContact O-N 3.01Å; G134-E219 WeakPolarHBondContact CA-OE1 3.45Å
135E94.6Very high94.6Very high33 Ų3347.7 Ų47.715%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-102.5156.9158.372.3163.7-163.600112.6V120 V121 F212 G215 Q216 E219V120-E135 WeakPolarHBondContact O-CA 3.15Å; V121-E135 HydrophobicContact CG2-CB 4.37Å; E135-F212 WeakPolarHBondContact OE1-CE2 3.21Å; E135-G215 WeakPolarHBondContact OE2-CA 3.32Å; E135-Q216 WeakPolarHBondContact OE1-CG 3.39Å; E135-Q216 WeakPolarHBondContact OE2-CA 3.36Å; E135-Q216 PolarHBondContact OE2-N 3.49Å; E135-E219 HydrophobicContact CB-CB 4.26Å; E135-E219 PolarHBondContact N-OE1 2.83Å
136T93.5Very high94.6Very high15 Ų1549.4 Ų49.49%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-149.1136169.6179.10000111.5G119 V120 Y122 N138 R143G119-T136 WeakPolarHBondContact CA-O 3.32Å; G119-T136 PolarHBondContact N-O 3.01Å; V120-T136 HydrophobicContact CG2-CG2 3.56Å; V120-T136 PolarHBondContact N-O 3.45Å; V120-T136 PolarHBondContact O-N 3.22Å; Y122-T136 HydrophobicContact CD1-CG2 3.92Å; Y122-T136 HydrophobicContact CE1-CG2 3.92Å; T136-N138 WeakPolarHBondContact CG2-O 3.13Å; T136-N138 PolarHBondContact OG1-N 3.08Å; T136-R143 HydrophobicContact CG2-CB 4.07Å; T136-R143 HydrophobicContact CG2-CG 4.41Å
137G91.8Very high94.8Very high58 Ų5849.1 Ų49.160%0.59826%0.262SS*.SBendtrans-74-13.416700000113.3P118P118-G137 VanDerWaalsContact CB-O 3.31Å; P118-G137 WeakPolarHBondContact CB-O 3.46Å
138N92.2Very high94.9Very high88 Ų8847.8 Ų47.847%0.47125%0.254SS..SBendtrans-97.8-168.9175-67.7-29.2000110.8P118 G119 T136 D142P118-N138 VanDerWaalsContact CA-O 3.29Å; P118-N138 WeakPolarHBondContact CA-O 3.44Å; G119-N138 PolarHBondContact N-O 3.41Å; T136-N138 WeakPolarHBondContact CG2-O 3.13Å; T136-N138 PolarHBondContact OG1-N 3.08Å; N138-D142 HydrophobicContact CB-CB 4.31Å
139T93.3Very high95Very high26 Ų2650.2 Ų50.216%0.1626%0.264CS..  trans-74.7154.5173.275.40000111.1Q116 F141 D142 R143Q116-T139 WeakPolarHBondContact O-CG2 3.36Å; T139-F141 PolarHBondContact O-N 2.6Å; T139-D142 PolarHBondContact O-N 2.94Å; T139-D142 PolarHBondContact OG1-N 3.1Å; T139-D142 VanDerWaalsContact OG1-N 3.1Å; T139-D142 PolarHBondContact OG1-OD2 2.85Å; T139-R143 PolarHBondContact O-N 3.49Å; T139-R143 VanDerWaalsContact O-N 3.17Å
140L94.9Very high95.3Very high2 Ų243.2 Ų43.21%0.0123%0.228CC..Hα-helixtrans-56.8-39.7172173.954.9000111.3V120 Y122 D142 R143 F144 P203 I205 I262V120-L140 HydrophobicContact CG2-CB 4.23Å; Y122-L140 VanDerWaalsContact CB-CD1 3.5Å; Y122-L140 HydrophobicContact CD1-CD1 4.08Å; Y122-L140 HydrophobicContact CD2-CD1 3.51Å; Y122-L140 HydrophobicContact CE2-CD1 4.24Å; Y122-L140 HydrophobicContact CG-CD1 3.42Å; Y122-L140 VanDerWaalsContact CG-CD1 3.42Å; L140-D142 PolarHBondContact O-N 3.38Å; L140-R143 PolarHBondContact O-N 2.76Å; L140-F144 VanDerWaalsContact O-CB 3.27Å; L140-F144 WeakPolarHBondContact O-CB 3.43Å; L140-F144 PolarHBondContact O-N 3.34Å; L140-P203 HydrophobicContact CD1-CB 4.06Å; L140-P203 HydrophobicContact CD2-CB 4.13Å; L140-P203 HydrophobicContact CG-CB 4.2Å; L140-I205 HydrophobicContact CB-CG1 4.22Å; L140-I205 HydrophobicContact CD2-CD1 4.5Å; L140-I205 HydrophobicContact CD2-CG1 3.59Å; L140-I262 HydrophobicContact CD2-CD1 4.09Å; L140-I262 HydrophobicContact CG-CD1 4.47Å
141F95.1Very high95.4Very high104 Ų10442.7 Ų42.746%0.45622%0.223SC..Hα-helixtrans-59.9-47.7179.2179.3-96.3000112.2T139 R143 F144 K145 I262T139-F141 PolarHBondContact O-N 2.6Å; F141-R143 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 2.97Å; F141-F144 PolarHBondContact O-N 3.36Å; F141-K145 WeakPolarHBondContact O-CB 3.28Å; F141-K145 PolarHBondContact O-N 2.93Å; F141-I262 HydrophobicContact CD2-CG2 4.47Å
142D95.3Very high95.4Very high66 Ų6648.9 Ų48.935%0.35325%0.247SC..Hα-helixtrans-61.9-44.8179-64.7-45000111.1N138 T139 L140 K145 E146N138-D142 HydrophobicContact CB-CB 4.31Å; T139-D142 PolarHBondContact O-N 2.94Å; T139-D142 PolarHBondContact OG1-N 3.1Å; T139-D142 VanDerWaalsContact OG1-N 3.1Å; T139-D142 PolarHBondContact OG1-OD2 2.85Å; L140-D142 PolarHBondContact O-N 3.38Å; D142-K145 WeakPolarHBondContact O-CB 3.2Å; D142-K145 PolarHBondContact O-N 2.94Å; D142-E146 WeakPolarHBondContact O-CG 3.44Å; D142-E146 PolarHBondContact O-N 3.01Å
143R95.6Very high95.2Very high65 Ų6550.3 Ų50.325%0.24526%0.261CS..Hα-helixtrans-66.1-41179.3-175.555.3175.2171.5-0.8112.3Y122 T136 T139 L140 F141 K145 E146 H147Y122-R143 HydrophobicContact CE1-CB 4.44Å; Y122-R143 HydrophobicContact CE1-CG 3.67Å; Y122-R143 HydrophobicContact CE2-CG 4.44Å; Y122-R143 VanDerWaalsContact CZ-CG 3.48Å; Y122-R143 WeakPolarHBondContact OH-CG 3.27Å; Y122-R143 PolarHBondContact OH-NE 2.91Å; Y122-R143 VanDerWaalsContact OH-NE 3.14Å; T136-R143 HydrophobicContact CG2-CB 4.07Å; T136-R143 HydrophobicContact CG2-CG 4.41Å; T139-R143 PolarHBondContact O-N 3.49Å; T139-R143 VanDerWaalsContact O-N 3.17Å; L140-R143 PolarHBondContact O-N 2.76Å; F141-R143 VanDerWaalsContact C-N 3.34Å; F141-R143 PolarHBondContact O-N 2.97Å; R143-K145 VanDerWaalsContact C-N 3.32Å; R143-K145 PolarHBondContact O-N 2.78Å; R143-E146 VanDerWaalsContact CD-OE2 3.27Å; R143-E146 WeakPolarHBondContact CD-OE2 3.31Å; R143-E146 IonicContact CZ-OE2 2.98Å; R143-E146 IonicContact NE-OE2 3.33Å; R143-E146 IonicContact NH1-OE2 2.74Å; R143-E146 PolarHBondContact NH1-OE2 3.18Å; R143-E146 WeakPolarHBondContact O-CB 3.4Å; R143-E146 PolarHBondContact O-N 3.26Å; R143-H147 PolarHBondContact O-CD2 3.34Å; R143-H147 PolarHBondContact O-N 2.88Å; R143-H147 VanDerWaalsContact O-N 3.13Å
144F97Very high95.2Very high40 Ų4050.9 Ų50.918%0.17526%0.263CS..Hα-helixtrans-62.4-40.8174-175-112.4000111.6I124 L140 F141 E146 H147 M148 L201 P203I124-F144 HydrophobicContact CD1-CD2 3.87Å; I124-F144 HydrophobicContact CD1-CE2 4.43Å; I124-F144 HydrophobicContact CG1-CD2 4.27Å; I124-F144 HydrophobicContact CG2-CE2 4.2Å; L140-F144 VanDerWaalsContact O-CB 3.27Å; L140-F144 WeakPolarHBondContact O-CB 3.43Å; L140-F144 PolarHBondContact O-N 3.34Å; F141-F144 PolarHBondContact O-N 3.36Å; F144-E146 VanDerWaalsContact C-N 3.32Å; F144-E146 PolarHBondContact O-N 3.08Å; F144-H147 WeakPolarHBondContact O-CB 3.34Å; F144-H147 PolarHBondContact O-N 3.33Å; F144-H147 VanDerWaalsContact O-N 3.16Å; F144-M148 HydrophobicContact CD1-CG 4.14Å; F144-M148 HydrophobicContact CD2-CE 4.32Å; F144-M148 HydrophobicContact CE1-CG 3.82Å; F144-M148 HydrophobicContact CE1-SD 4.33Å; F144-M148 HydrophobicContact CE2-CE 3.7Å; F144-M148 HydrophobicContact CE2-CG 4.48Å; F144-M148 HydrophobicContact CE2-SD 4.42Å; F144-M148 HydrophobicContact CZ-CE 3.86Å; F144-M148 HydrophobicContact CZ-CG 4.01Å; F144-M148 HydrophobicContact CZ-SD 3.97Å; F144-M148 WeakPolarHBondContact O-CG 3.19Å; F144-M148 PolarHBondContact O-N 2.93Å; F144-L201 HydrophobicContact CE2-CB 4.03Å; F144-L201 HydrophobicContact CZ-CB 4.13Å; F144-P203 HydrophobicContact CB-CB 4.46Å; F144-P203 HydrophobicContact CD1-CG 4.05Å; F144-P203 HydrophobicContact CD2-CB 3.8Å; F144-P203 HydrophobicContact CD2-CG 3.84Å; F144-P203 HydrophobicContact CE1-CG 4.14Å; F144-P203 HydrophobicContact CE2-CB 4.19Å; F144-P203 HydrophobicContact CE2-CG 3.94Å; F144-P203 HydrophobicContact CG-CB 4.1Å; F144-P203 HydrophobicContact CG-CG 3.9Å; F144-P203 HydrophobicContact CZ-CG 4.09Å
145K97Very high95.1Very high112 Ų11256.2 Ų56.249%0.48728%0.283SS..Hα-helixtrans-61.5-38.2174.2-174.9-178.9-179.7-179.50112.2F141 D142 R143 M148 N149F141-K145 WeakPolarHBondContact O-CB 3.28Å; F141-K145 PolarHBondContact O-N 2.93Å; D142-K145 WeakPolarHBondContact O-CB 3.2Å; D142-K145 PolarHBondContact O-N 2.94Å; R143-K145 VanDerWaalsContact C-N 3.32Å; R143-K145 PolarHBondContact O-N 2.78Å; K145-M148 PolarHBondContact O-N 2.9Å; K145-N149 WeakPolarHBondContact O-CB 3.44Å; K145-N149 PolarHBondContact O-N 3.18Å; K145-N149 PolarHBondContact O-ND2 3.12Å
146E97.2Very high95Very high83 Ų8356 Ų5639%0.38829%0.286SS..Hα-helixtrans-59.3-47.2172.1-69.1169.4-170.700111.5D142 R143 F144 M148 N149 A150D142-E146 WeakPolarHBondContact O-CG 3.44Å; D142-E146 PolarHBondContact O-N 3.01Å; R143-E146 VanDerWaalsContact CD-OE2 3.27Å; R143-E146 WeakPolarHBondContact CD-OE2 3.31Å; R143-E146 IonicContact CZ-OE2 2.98Å; R143-E146 IonicContact NE-OE2 3.33Å; R143-E146 IonicContact NH1-OE2 2.74Å; R143-E146 PolarHBondContact NH1-OE2 3.18Å; R143-E146 WeakPolarHBondContact O-CB 3.4Å; R143-E146 PolarHBondContact O-N 3.26Å; F144-E146 VanDerWaalsContact C-N 3.32Å; F144-E146 PolarHBondContact O-N 3.08Å; E146-M148 VanDerWaalsContact C-N 3.34Å; E146-M148 PolarHBondContact O-N 3.06Å; E146-N149 PolarHBondContact O-N 3.3Å; E146-A150 PolarHBondContact O-N 2.74Å
147H97.4Very high95Very high2 Ų255.3 Ų55.31%0.00928%0.281CS..Hα-helixtrans-59.2-43.9175-67.7-65.7000111.8Y122 Y132 R143 F144 A150 L151 S188 V190Y122-H147 AromaticContact CZ-NE2 3.94Å; Y122-H147 PolarHBondContact OH-NE2 2.68Å; Y132-H147 AromaticContact CE1-CE1 3.92Å; Y132-H147 AromaticContact CE1-NE2 3.88Å; R143-H147 PolarHBondContact O-CD2 3.34Å; R143-H147 PolarHBondContact O-N 2.88Å; R143-H147 VanDerWaalsContact O-N 3.13Å; F144-H147 WeakPolarHBondContact O-CB 3.34Å; F144-H147 PolarHBondContact O-N 3.33Å; F144-H147 VanDerWaalsContact O-N 3.16Å; H147-A150 PolarHBondContact O-N 3.34Å; H147-L151 PolarHBondContact O-N 3.35Å; H147-S188 PolarHBondContact ND1-OG 2.9Å; H147-V190 HydrophobicContact CB-CB 4.23Å; H147-V190 HydrophobicContact CB-CG1 4.27Å
148M97.2Very high95.1Very high53 Ų5355.5 Ų55.526%0.26127%0.266SS..Hα-helixtrans-67.8-35.9179.1-68.6-53.1101.500112.5F144 K145 E146 L151 K152 V190 L201F144-M148 HydrophobicContact CD1-CG 4.14Å; F144-M148 HydrophobicContact CD2-CE 4.32Å; F144-M148 HydrophobicContact CE1-CG 3.82Å; F144-M148 HydrophobicContact CE1-SD 4.33Å; F144-M148 HydrophobicContact CE2-CE 3.7Å; F144-M148 HydrophobicContact CE2-CG 4.48Å; F144-M148 HydrophobicContact CE2-SD 4.42Å; F144-M148 HydrophobicContact CZ-CE 3.86Å; F144-M148 HydrophobicContact CZ-CG 4.01Å; F144-M148 HydrophobicContact CZ-SD 3.97Å; F144-M148 WeakPolarHBondContact O-CG 3.19Å; F144-M148 PolarHBondContact O-N 2.93Å; K145-M148 PolarHBondContact O-N 2.9Å; E146-M148 VanDerWaalsContact C-N 3.34Å; E146-M148 PolarHBondContact O-N 3.06Å; M148-L151 PolarHBondContact O-N 3.43Å; M148-L151 HydrophobicContact SD-CD2 4.42Å; M148-K152 WeakPolarHBondContact O-CB 3.27Å; M148-K152 PolarHBondContact O-N 3.22Å; M148-V190 HydrophobicContact CE-CG1 4.42Å; M148-L201 HydrophobicContact CE-CD1 3.27Å; M148-L201 HydrophobicContact SD-CD1 4.28Å
149N96.3Very high95.1Very high88 Ų8852.2 Ų52.247%0.47125%0.249SC..Hα-helixtrans-65.3-40.9174.8-73.9-25.1000111.5K145 E146 K152 S153K145-N149 WeakPolarHBondContact O-CB 3.44Å; K145-N149 PolarHBondContact O-N 3.18Å; K145-N149 PolarHBondContact O-ND2 3.12Å; E146-N149 PolarHBondContact O-N 3.3Å; N149-K152 PolarHBondContact O-N 2.88Å; N149-S153 WeakPolarHBondContact O-CB 3.5Å; N149-S153 PolarHBondContact O-N 3.05Å
150A96.4Very high95Very high9 Ų954 Ų547%0.07426%0.255CS..Hα-helixtrans-61.2-45.7173.600000111.1E146 H147 K152 S153 Y154 A184 A191E146-A150 PolarHBondContact O-N 2.74Å; H147-A150 PolarHBondContact O-N 3.34Å; A150-K152 PolarHBondContact O-N 3.44Å; A150-S153 WeakPolarHBondContact O-CB 3.41Å; A150-S153 PolarHBondContact O-N 3.15Å; A150-Y154 PolarHBondContact O-N 2.94Å; A150-A184 WeakPolarHBondContact O-CB 3.28Å; A150-A191 HydrophobicContact CB-CB 3.88Å
151L95.9Very high94.9Very high7 Ų758.1 Ų58.14%0.03728%0.277CS..Hα-helixtrans-62.4-41.6176.1-177.957.9000112.6H147 M148 S153 Y154 R155 A191H147-L151 PolarHBondContact O-N 3.35Å; M148-L151 PolarHBondContact O-N 3.43Å; M148-L151 HydrophobicContact SD-CD2 4.42Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 3.46Å; L151-Y154 WeakPolarHBondContact O-CB 3.33Å; L151-Y154 PolarHBondContact O-N 3.5Å; L151-R155 HydrophobicContact CD1-CG 4.37Å; L151-R155 WeakPolarHBondContact O-CG 3.05Å; L151-R155 PolarHBondContact O-N 2.68Å; L151-A191 HydrophobicContact CB-CB 4.26Å
152K94.1Very high94.8Very high151 Ų15158.3 Ų58.366%0.65728%0.283SS*.Hα-helixtrans-62.2-39.7174.6-175178.6-179.61780111.6M148 N149 A150 S156M148-K152 WeakPolarHBondContact O-CB 3.27Å; M148-K152 PolarHBondContact O-N 3.22Å; N149-K152 PolarHBondContact O-N 2.88Å; A150-K152 PolarHBondContact O-N 3.44Å; K152-S156 WeakPolarHBondContact O-CB 3.3Å; K152-S156 PolarHBondContact O-N 2.92Å
153S93.4Very high94.5Very high54 Ų5457.5 Ų57.538%0.37829%0.29SS..Hα-helixtrans-62.6-42.7174.7-1750000111.7N149 A150 L151 A157N149-S153 WeakPolarHBondContact O-CB 3.5Å; N149-S153 PolarHBondContact O-N 3.05Å; A150-S153 WeakPolarHBondContact O-CB 3.41Å; A150-S153 PolarHBondContact O-N 3.15Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 3.46Å; S153-A157 WeakPolarHBondContact O-CB 3.43Å; S153-A157 PolarHBondContact O-N 3.11Å; S153-A157 VanDerWaalsContact O-N 3.13Å
154Y95.5Very high94.1Very high13 Ų1358.3 Ų58.35%0.05130%0.299CS..Hα-helixtrans-59.6-57.1174.1176.7-87.8000111.5A150 L151 S156 A157 E158 M181 K185A150-Y154 PolarHBondContact O-N 2.94Å; L151-Y154 WeakPolarHBondContact O-CB 3.33Å; L151-Y154 PolarHBondContact O-N 3.5Å; Y154-S156 VanDerWaalsContact C-N 3.29Å; Y154-S156 PolarHBondContact O-N 3.37Å; Y154-A157 CarbonylContact O-C 3.46Å; Y154-A157 WeakPolarHBondContact O-CA 3.47Å; Y154-A157 WeakPolarHBondContact O-CB 3.19Å; Y154-A157 PolarHBondContact O-N 2.98Å; Y154-E158 HydrophobicContact CE1-CB 4.38Å; Y154-E158 WeakPolarHBondContact CE1-OE1 3.49Å; Y154-E158 PolarHBondContact O-N 2.78Å; Y154-E158 PolarHBondContact OH-OE1 2.8Å; Y154-M181 HydrophobicContact CD2-CB 3.82Å; Y154-M181 HydrophobicContact CD2-CE 4.4Å; Y154-M181 HydrophobicContact CD2-CG 4.07Å; Y154-M181 HydrophobicContact CE1-CE 4.23Å; Y154-M181 HydrophobicContact CE2-CB 3.77Å; Y154-M181 HydrophobicContact CE2-CE 3.5Å; Y154-M181 HydrophobicContact CE2-CG 4.02Å; Y154-M181 WeakPolarHBondContact OH-CE 3.24Å; Y154-K185 HydrophobicContact CD2-CG 4.13Å; Y154-K185 HydrophobicContact CE2-CD 4.16Å; Y154-K185 VanDerWaalsContact CE2-CE 3.44Å; Y154-K185 HydrophobicContact CE2-CG 4.21Å
155R93.9Very high93Very high112 Ų11264.6 Ų64.642%0.42333%0.328SS..Hα-helixtrans-59.5-41.2-178.1-69.5177.7180177.2-0.5111.7L151 A157 E158 D159L151-R155 HydrophobicContact CD1-CG 4.37Å; L151-R155 WeakPolarHBondContact O-CG 3.05Å; L151-R155 PolarHBondContact O-N 2.68Å; R155-A157 PolarHBondContact O-N 2.72Å; R155-E158 PolarHBondContact O-N 2.92Å; R155-D159 WeakPolarHBondContact O-CB 3.44Å; R155-D159 VanDerWaalsContact O-CG 3.26Å; R155-D159 PolarHBondContact O-N 2.99Å
156S92.1Very high92Very high29 Ų2967 Ų6720%0.20333%0.334CS..Hα-helixtrans-62-27.2174.4-179.70000112.7K152 Y154 R168 R173K152-S156 WeakPolarHBondContact O-CB 3.3Å; K152-S156 PolarHBondContact O-N 2.92Å; Y154-S156 VanDerWaalsContact C-N 3.29Å; Y154-S156 PolarHBondContact O-N 3.37Å; S156-R168 PolarHBondContact O-NH2 2.91Å; S156-R168 PolarHBondContact OG-NE 2.99Å; S156-R168 PolarHBondContact OG-NH2 2.61Å; S156-R173 VanDerWaalsContact C-NH2 3.32Å; S156-R173 PolarHBondContact O-NH2 2.84Å; S156-R173 PolarHBondContact OG-NH2 2.99Å
157A93Very high91Very high0 Ų071.5 Ų71.50%036%0.359CS..Hα-helixtrans-84-36.9176.600000114.1S153 Y154 R155 E160 L161 R173 A180 M181S153-A157 WeakPolarHBondContact O-CB 3.43Å; S153-A157 PolarHBondContact O-N 3.11Å; S153-A157 VanDerWaalsContact O-N 3.13Å; Y154-A157 CarbonylContact O-C 3.46Å; Y154-A157 WeakPolarHBondContact O-CA 3.47Å; Y154-A157 WeakPolarHBondContact O-CB 3.19Å; Y154-A157 PolarHBondContact O-N 2.98Å; R155-A157 PolarHBondContact O-N 2.72Å; A157-E160 PolarHBondContact O-N 2.89Å; A157-L161 PolarHBondContact O-N 2.88Å; A157-R173 VanDerWaalsContact CB-NH2 3.29Å; A157-R173 VanDerWaalsContact N-NH2 3.14Å; A157-A180 HydrophobicContact CB-CB 3.93Å; A157-M181 HydrophobicContact CB-CG 3.49Å; A157-M181 VanDerWaalsContact CB-CG 3.49Å; A157-M181 HydrophobicContact CB-SD 4.48Å
158E94.4Very high89.8Confident61 Ų6176.3 Ų76.329%0.28538%0.377SS..Hα-helixtrans-60.4-46.3169.9-169.9168.3-10900111.6Y154 R155 E160 L161 N162 M181Y154-E158 HydrophobicContact CE1-CB 4.38Å; Y154-E158 WeakPolarHBondContact CE1-OE1 3.49Å; Y154-E158 PolarHBondContact O-N 2.78Å; Y154-E158 PolarHBondContact OH-OE1 2.8Å; R155-E158 PolarHBondContact O-N 2.92Å; E158-E160 VanDerWaalsContact C-N 3.28Å; E158-E160 PolarHBondContact O-N 3.32Å; E158-L161 WeakPolarHBondContact O-CB 3.06Å; E158-L161 PolarHBondContact O-N 2.93Å; E158-L161 VanDerWaalsContact O-N 3.16Å; E158-N162 WeakPolarHBondContact O-CB 3.26Å; E158-N162 PolarHBondContact O-N 2.95Å; E158-N162 PolarHBondContact O-ND2 2.88Å; E158-M181 HydrophobicContact CB-CE 3.91Å; E158-M181 HydrophobicContact CB-SD 4.4Å; E158-M181 HydrophobicContact CG-CE 4.1Å
159D92.9Very high88.9Confident20 Ų2086 Ų8611%0.10741%0.411CS..Hα-helixtrans-54.2-45174.5-75.6-20.3000111.6R155 N162 G163 I164 R166R155-D159 WeakPolarHBondContact O-CB 3.44Å; R155-D159 VanDerWaalsContact O-CG 3.26Å; R155-D159 PolarHBondContact O-N 2.99Å; D159-N162 CarbonylContact O-C 3.51Å; D159-N162 PolarHBondContact O-N 3.42Å; D159-G163 PolarHBondContact O-N 2.98Å; D159-I164 HydrophobicContact CB-CB 4.09Å; D159-I164 HydrophobicContact CB-CG2 4.48Å; D159-I164 WeakPolarHBondContact O-CA 3.46Å; D159-I164 WeakPolarHBondContact O-CB 3.4Å; D159-I164 PolarHBondContact O-N 3.35Å; D159-R166 IonicContact OD2-CZ 3.23Å; D159-R166 IonicContact OD2-NE 3.03Å; D159-R166 PolarHBondContact OD2-NE 3.06Å; D159-R166 IonicContact OD2-NH1 3.43Å; D159-R166 PolarHBondContact OD2-NH1 2.67Å; D159-R166 IonicContact OD2-NH2 3.88Å; D159-R166 PolarHBondContact OD2-NH2 2.8Å
160E90.6Very high88.3Confident62 Ų6285.1 Ų85.129%0.2942%0.422SS..Hα-helixtrans-68.5-36.8-179.1-167.8173139.500112.4A157 E158 N162 G163 R168 R173 P177A157-E160 PolarHBondContact O-N 2.89Å; E158-E160 VanDerWaalsContact C-N 3.28Å; E158-E160 PolarHBondContact O-N 3.32Å; E160-N162 VanDerWaalsContact C-N 3.31Å; E160-G163 PolarHBondContact O-N 2.84Å; E160-R168 IonicContact OE2-CZ 3.34Å; E160-R168 IonicContact OE2-NH1 2.98Å; E160-R168 PolarHBondContact OE2-NH1 3.49Å; E160-R168 IonicContact OE2-NH2 3.78Å; E160-R168 PolarHBondContact OE2-NH2 3.26Å; E160-R173 WeakPolarHBondContact OE1-CD 3.35Å; E160-R173 IonicContact OE1-NH1 2.91Å; E160-R173 WeakPolarHBondContact OE2-CD 3.21Å; E160-R173 IonicContact OE2-CZ 2.78Å; E160-R173 IonicContact OE2-NE 2.61Å; E160-R173 PolarHBondContact OE2-NE 3.37Å; E160-R173 VanDerWaalsContact OE2-NE 3.15Å; E160-R173 IonicContact OE2-NH1 2.68Å; E160-R173 PolarHBondContact OE2-NH1 3.42Å; E160-P177 HydrophobicContact CB-CG 4.3Å; E160-P177 HydrophobicContact CG-CG 4.01Å
161L91.9Very high87.8Confident89 Ų8995.2 Ų95.247%0.46646%0.459SS..Hα-helixtrans-66.1-36.1173.5-172.570.5000111.5A157 E158 G163 P177 L178 M181A157-L161 PolarHBondContact O-N 2.88Å; E158-L161 WeakPolarHBondContact O-CB 3.06Å; E158-L161 PolarHBondContact O-N 2.93Å; E158-L161 VanDerWaalsContact O-N 3.16Å; L161-G163 PolarHBondContact O-N 2.88Å; L161-P177 HydrophobicContact CB-CB 4.27Å; L161-L178 HydrophobicContact CD1-CD2 4.17Å; L161-L178 HydrophobicContact CD1-CG 4.29Å; L161-L178 HydrophobicContact CD2-CD2 3.72Å; L161-M181 HydrophobicContact CD2-SD 4.26Å
162N93.8Very high87Confident108 Ų10899.8 Ų99.858%0.57849%0.489SS*.THydrogen-bonded Turntrans-82.15.3177.6-66.6-26.4000113.5E158 D159 E160 I164E158-N162 WeakPolarHBondContact O-CB 3.26Å; E158-N162 PolarHBondContact O-N 2.95Å; E158-N162 PolarHBondContact O-ND2 2.88Å; D159-N162 CarbonylContact O-C 3.51Å; D159-N162 PolarHBondContact O-N 3.42Å; E160-N162 VanDerWaalsContact C-N 3.31Å; N162-I164 VanDerWaalsContact C-N 3.27Å; N162-I164 HydrophobicContact CB-CD1 4.33Å; N162-I164 HydrophobicContact CB-CG1 4.3Å; N162-I164 PolarHBondContact O-N 2.78Å
163G88.2Confident86.5Confident49 Ų4995.3 Ų95.351%0.50547%0.468SS..THydrogen-bonded Turntrans7411.5-18000000115D159 E160 L161 H165D159-G163 PolarHBondContact O-N 2.98Å; E160-G163 PolarHBondContact O-N 2.84Å; L161-G163 PolarHBondContact O-N 2.88Å; G163-H165 PolarHBondContact O-N 3.37Å; G163-H165 VanDerWaalsContact O-N 3.17Å
164I88.1Confident86.1Confident83 Ų8398.4 Ų98.443%0.42648%0.484SS..  trans-81.296.2177.8-56.1174.4000108.8D159 N162 R166D159-I164 HydrophobicContact CB-CB 4.09Å; D159-I164 HydrophobicContact CB-CG2 4.48Å; D159-I164 WeakPolarHBondContact O-CA 3.46Å; D159-I164 WeakPolarHBondContact O-CB 3.4Å; D159-I164 PolarHBondContact O-N 3.35Å; N162-I164 VanDerWaalsContact C-N 3.27Å; N162-I164 HydrophobicContact CB-CD1 4.33Å; N162-I164 HydrophobicContact CB-CG1 4.3Å; N162-I164 PolarHBondContact O-N 2.78Å; I164-R166 PolarHBondContact O-N 3.44Å
165H73.6Confident85.9Confident172 Ų172100.8 Ų100.880%0.79650%0.5SS*.  trans-80110.5176.7-74-75.6000111.7G163G163-H165 PolarHBondContact O-N 3.37Å; G163-H165 VanDerWaalsContact O-N 3.17Å
166R75.6Confident85.8Confident161 Ų16198.7 Ų98.761%0.60850%0.501SS*.  trans-94.6134.6167.3-65.4-177.4175.3174.72.5109.8D159 I164 R168D159-R166 IonicContact OD2-CZ 3.23Å; D159-R166 IonicContact OD2-NE 3.03Å; D159-R166 PolarHBondContact OD2-NE 3.06Å; D159-R166 IonicContact OD2-NH1 3.43Å; D159-R166 PolarHBondContact OD2-NH1 2.67Å; D159-R166 IonicContact OD2-NH2 3.88Å; D159-R166 PolarHBondContact OD2-NH2 2.8Å; I164-R166 PolarHBondContact O-N 3.44Å; R166-R168 PolarHBondContact O-N 2.9Å
167I77.3Confident85.9Confident179 Ų17998.7 Ų98.792%0.91850%0.5SS*.  trans-62.1110.3171.5-59.4175.9000107.8
168R71.2Confident85.9Confident103 Ų103104.1 Ų104.139%0.38953%0.529SS..  trans-100139.7178.9-65.9-175.2-173.3156.49.2109.9S156 E160 R166S156-R168 PolarHBondContact O-NH2 2.91Å; S156-R168 PolarHBondContact OG-NE 2.99Å; S156-R168 PolarHBondContact OG-NH2 2.61Å; E160-R168 IonicContact OE2-CZ 3.34Å; E160-R168 IonicContact OE2-NH1 2.98Å; E160-R168 PolarHBondContact OE2-NH1 3.49Å; E160-R168 IonicContact OE2-NH2 3.78Å; E160-R168 PolarHBondContact OE2-NH2 3.26Å; R166-R168 PolarHBondContact O-N 2.9Å
169R79.8Confident86Confident257 Ų257106.6 Ų106.697%0.9754%0.54SS*.  trans-86.2137.7162-68.2-174.7177.8-179.1-0.4108.8
170G82.9Confident86.1Confident69 Ų69105.9 Ų105.971%0.71154%0.537SS*.SBendtrans94.4-169.6175.200000114.6
171R85.6Confident86.3Confident221 Ų221104 Ų10483%0.83453%0.529SS*.PPolyproline II helixtrans-68.5133.4-170.5-166.7-179.3179.2170.8-0.1111.2
172P79.9Confident86.6Confident103 Ų103105.3 Ų105.367%0.66953%0.532SS*.PPolyproline II helixtrans-54.3149166.8-24.533.9000111.2
173R81.9Confident86.7Confident57 Ų57106.8 Ų106.822%0.21553%0.534CS..PPolyproline II helixtrans-61.8142.8174.150.6170.464.6167.1-9.7110.4S156 A157 E160S156-R173 VanDerWaalsContact C-NH2 3.32Å; S156-R173 PolarHBondContact O-NH2 2.84Å; S156-R173 PolarHBondContact OG-NH2 2.99Å; A157-R173 VanDerWaalsContact CB-NH2 3.29Å; A157-R173 VanDerWaalsContact N-NH2 3.14Å; E160-R173 WeakPolarHBondContact OE1-CD 3.35Å; E160-R173 IonicContact OE1-NH1 2.91Å; E160-R173 WeakPolarHBondContact OE2-CD 3.21Å; E160-R173 IonicContact OE2-CZ 2.78Å; E160-R173 IonicContact OE2-NE 2.61Å; E160-R173 PolarHBondContact OE2-NE 3.37Å; E160-R173 VanDerWaalsContact OE2-NE 3.15Å; E160-R173 IonicContact OE2-NH1 2.68Å; E160-R173 PolarHBondContact OE2-NH1 3.42Å
174T85.9Confident87Confident118 Ų118104.6 Ų104.672%0.72451%0.511SS*.SBendtrans-88.7-24.8178.1-45.90000112.1
175V91.2Very high87.4Confident63 Ų63103.3 Ų103.338%0.38250%0.502SS..SBendtrans-93.8142.6-177.5-70.80000111.3A180V175-A180 HydrophobicContact CG2-CB 3.9Å
176P93Very high88.4Confident69 Ų6999.7 Ų99.745%0.44849%0.489SS..  trans-55.6149.9173.4-25.133.9000112.6L178 Q179 A180P176-L178 PolarHBondContact O-N 3.26Å; P176-Q179 PolarHBondContact O-N 2.83Å; P176-A180 PolarHBondContact O-N 3.47Å
177P92.5Very high89.3Confident29 Ų2996.5 Ų96.519%0.18849%0.487CS..Hα-helixtrans-52.9-46.2-177.8-29.235.6000114.5E160 L161 Q179 A180 M181E160-P177 HydrophobicContact CB-CG 4.3Å; E160-P177 HydrophobicContact CG-CG 4.01Å; L161-P177 HydrophobicContact CB-CB 4.27Å; P177-Q179 PolarHBondContact O-N 2.98Å; P177-A180 WeakPolarHBondContact O-CB 3.31Å; P177-A180 PolarHBondContact O-N 2.92Å; P177-A180 VanDerWaalsContact O-N 3.13Å; P177-M181 WeakPolarHBondContact O-CG 3.4Å; P177-M181 PolarHBondContact O-N 3.11Å
178L94.7Very high90.2Very high114 Ų11488.2 Ų88.260%0.59745%0.445SS*.Hα-helixtrans-60-46.5-179.9-66.8174.3000112.5L161 P176 A180 M181 E182L161-L178 HydrophobicContact CD1-CD2 4.17Å; L161-L178 HydrophobicContact CD1-CG 4.29Å; L161-L178 HydrophobicContact CD2-CD2 3.72Å; P176-L178 PolarHBondContact O-N 3.26Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.12Å; L178-M181 WeakPolarHBondContact O-CB 3.44Å; L178-M181 PolarHBondContact O-N 3.42Å; L178-E182 PolarHBondContact O-N 2.95Å
179Q96Very high91.4Very high112 Ų11283.8 Ų83.852%0.52343%0.431SS..Hα-helixtrans-65.9-34176.7-67.2-178.85.100111.8P176 P177 K183P176-Q179 PolarHBondContact O-N 2.83Å; P177-Q179 PolarHBondContact O-N 2.98Å; Q179-K183 VanDerWaalsContact O-CB 3.26Å; Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 3.3Å
180A94.3Very high92.2Very high5 Ų571.7 Ų71.74%0.04139%0.385CS..Hα-helixtrans-67-39.2175.400000112.1A157 V175 P176 P177 L178 A184A157-A180 HydrophobicContact CB-CB 3.93Å; V175-A180 HydrophobicContact CG2-CB 3.9Å; P176-A180 PolarHBondContact O-N 3.47Å; P177-A180 WeakPolarHBondContact O-CB 3.31Å; P177-A180 PolarHBondContact O-N 2.92Å; P177-A180 VanDerWaalsContact O-N 3.13Å; L178-A180 VanDerWaalsContact C-N 3.29Å; L178-A180 PolarHBondContact O-N 3.12Å; A180-A184 WeakPolarHBondContact O-CB 3.37Å; A180-A184 PolarHBondContact O-N 2.82Å
181M95.8Very high92.8Very high23 Ų2368.4 Ų68.411%0.11335%0.352CS..Hα-helixtrans-63.4-47.7174.3-68.5171.37700110.8Y154 A157 E158 L161 P177 L178 A184 K185Y154-M181 HydrophobicContact CD2-CB 3.82Å; Y154-M181 HydrophobicContact CD2-CE 4.4Å; Y154-M181 HydrophobicContact CD2-CG 4.07Å; Y154-M181 HydrophobicContact CE1-CE 4.23Å; Y154-M181 HydrophobicContact CE2-CB 3.77Å; Y154-M181 HydrophobicContact CE2-CE 3.5Å; Y154-M181 HydrophobicContact CE2-CG 4.02Å; Y154-M181 WeakPolarHBondContact OH-CE 3.24Å; A157-M181 HydrophobicContact CB-CG 3.49Å; A157-M181 VanDerWaalsContact CB-CG 3.49Å; A157-M181 HydrophobicContact CB-SD 4.48Å; E158-M181 HydrophobicContact CB-CE 3.91Å; E158-M181 HydrophobicContact CB-SD 4.4Å; E158-M181 HydrophobicContact CG-CE 4.1Å; L161-M181 HydrophobicContact CD2-SD 4.26Å; P177-M181 WeakPolarHBondContact O-CG 3.4Å; P177-M181 PolarHBondContact O-N 3.11Å; L178-M181 WeakPolarHBondContact O-CB 3.44Å; L178-M181 PolarHBondContact O-N 3.42Å; M181-A184 PolarHBondContact O-N 3.37Å; M181-K185 PolarHBondContact O-N 3.13Å
182E96.5Very high93.3Very high117 Ų11761.4 Ų61.455%0.54733%0.328SS..Hα-helixtrans-61.5-46.5177.6-172.7-179.7-17700111.8L178 A184 K185 N186L178-E182 PolarHBondContact O-N 2.95Å; E182-A184 VanDerWaalsContact C-N 3.29Å; E182-A184 PolarHBondContact O-N 2.76Å; E182-K185 PolarHBondContact O-N 3.14Å; E182-N186 WeakPolarHBondContact O-CB 3.25Å; E182-N186 PolarHBondContact O-N 3.24Å
183K96.1Very high94.1Very high138 Ų13858.4 Ų58.460%0.631%0.306SS*.Hα-helixtrans-57.2-43.2174.7-178.2177.9179.8177.40111.9Q179 N186 T187Q179-K183 VanDerWaalsContact O-CB 3.26Å; Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 3.3Å; K183-N186 PolarHBondContact O-N 3.35Å; K183-T187 WeakPolarHBondContact O-CB 3.29Å; K183-T187 PolarHBondContact O-N 3.46Å; K183-T187 PolarHBondContact O-OG1 3.49Å
184A95.4Very high94.8Very high4 Ų456 Ų563%0.03330%0.297CS..Hα-helixtrans-64.2-43.8179.100000111.8A150 A180 M181 E182 T187A150-A184 WeakPolarHBondContact O-CB 3.28Å; A180-A184 WeakPolarHBondContact O-CB 3.37Å; A180-A184 PolarHBondContact O-N 2.82Å; M181-A184 PolarHBondContact O-N 3.37Å; E182-A184 VanDerWaalsContact C-N 3.29Å; E182-A184 PolarHBondContact O-N 2.76Å; A184-T187 PolarHBondContact O-N 3.17Å
185K95.6Very high95.2Very high55 Ų5551.4 Ų51.424%0.23927%0.27CS..Hα-helixtrans-58.6-50.8172.8-73.2-179.7164.3168.90110.6Y154 M181 E182 T187 S188 E192 S195 R231Y154-K185 HydrophobicContact CD2-CG 4.13Å; Y154-K185 HydrophobicContact CE2-CD 4.16Å; Y154-K185 VanDerWaalsContact CE2-CE 3.44Å; Y154-K185 HydrophobicContact CE2-CG 4.21Å; M181-K185 PolarHBondContact O-N 3.13Å; E182-K185 PolarHBondContact O-N 3.14Å; K185-T187 VanDerWaalsContact C-N 3.26Å; K185-T187 PolarHBondContact O-N 3.22Å; K185-S188 CarbonylContact O-C 3.6Å; K185-S188 PolarHBondContact O-N 3.47Å; K185-E192 HydrophobicContact CB-CB 4.25Å; K185-E192 HydrophobicContact CB-CG 4.41Å; K185-E192 HydrophobicContact CG-CB 4.36Å; K185-E192 HydrophobicContact CG-CG 4.48Å; K185-S195 WeakPolarHBondContact CE-OG 3.32Å; K185-R231 PolarHBondContact O-NH2 3.13Å
186N95.3Very high95.4Very high97 Ų9756 Ų5652%0.51929%0.287SS..Hα-helixtrans-62.6-29.9-179.5-69.7-15.3000113.6E182 K183 S188 R231E182-N186 WeakPolarHBondContact O-CB 3.25Å; E182-N186 PolarHBondContact O-N 3.24Å; K183-N186 PolarHBondContact O-N 3.35Å; N186-S188 PolarHBondContact O-N 2.66Å; N186-R231 PolarHBondContact O-NH1 2.98Å; N186-R231 PolarHBondContact O-NH2 2.92Å
187T95.3Very high95.5Very high93 Ų9353.3 Ų53.357%0.57127%0.27SS*.Hα-helixtrans-70.7-31-179.3-56.70000113.1K183 A184 K185K183-T187 WeakPolarHBondContact O-CB 3.29Å; K183-T187 PolarHBondContact O-N 3.46Å; K183-T187 PolarHBondContact O-OG1 3.49Å; A184-T187 PolarHBondContact O-N 3.17Å; K185-T187 VanDerWaalsContact C-N 3.26Å; K185-T187 PolarHBondContact O-N 3.22Å
188S95.4Very high95.4Very high6 Ų657.3 Ų57.34%0.04230%0.298CS..  trans-151118.1-169.91650000111.4H147 K185 N186 V190 A191 E192 R231H147-S188 PolarHBondContact ND1-OG 2.9Å; K185-S188 CarbonylContact O-C 3.6Å; K185-S188 PolarHBondContact O-N 3.47Å; N186-S188 PolarHBondContact O-N 2.66Å; S188-V190 PolarHBondContact O-N 3.31Å; S188-V190 PolarHBondContact OG-N 3.33Å; S188-A191 WeakPolarHBondContact O-CB 3.48Å; S188-A191 PolarHBondContact O-N 3.1Å; S188-A191 PolarHBondContact OG-N 3.37Å; S188-E192 PolarHBondContact O-N 3.34Å; S188-R231 PolarHBondContact O-NH2 2.92Å
189A95.6Very high95.4Very high10 Ų1058.6 Ų58.68%0.08330%0.295CS..Hα-helixtrans-61.3-33.2176.100000111.5Y132 A191 E192 H193 R231Y132-A189 HydrophobicContact CD2-CB 3.95Å; Y132-A189 HydrophobicContact CE2-CB 3.79Å; A189-A191 VanDerWaalsContact C-N 3.35Å; A189-A191 PolarHBondContact O-N 3.31Å; A189-E192 WeakPolarHBondContact O-CB 3.22Å; A189-E192 PolarHBondContact O-N 3.29Å; A189-H193 WeakPolarHBondContact O-CB 3.49Å; A189-H193 PolarHBondContact O-N 2.79Å; A189-R231 HydrophobicContact CB-CG 4.18Å
190V96.8Very high95.3Very high2 Ų258.5 Ų58.51%0.01230%0.299CS..Hα-helixtrans-62.8-41.4172.6-179.40000111.4I124 Y132 H147 M148 S188 S194 L201I124-V190 HydrophobicContact CD1-CG2 3.93Å; I124-V190 HydrophobicContact CG2-CG1 4.43Å; Y132-V190 HydrophobicContact CD1-CG2 3.61Å; Y132-V190 HydrophobicContact CD2-CG2 3.96Å; Y132-V190 HydrophobicContact CE1-CG2 4.27Å; Y132-V190 HydrophobicContact CG-CG2 3.43Å; Y132-V190 VanDerWaalsContact CG-CG2 3.43Å; H147-V190 HydrophobicContact CB-CB 4.23Å; H147-V190 HydrophobicContact CB-CG1 4.27Å; M148-V190 HydrophobicContact CE-CG1 4.42Å; S188-V190 PolarHBondContact O-N 3.31Å; S188-V190 PolarHBondContact OG-N 3.33Å; V190-S194 VanDerWaalsContact O-CB 3.24Å; V190-S194 WeakPolarHBondContact O-CB 3.47Å; V190-S194 PolarHBondContact O-N 3.31Å; V190-S194 PolarHBondContact O-OG 2.77Å; V190-L201 HydrophobicContact CG1-CD1 3.76Å; V190-L201 HydrophobicContact CG1-CD2 4.46Å
191A96.1Very high95.4Very high1 Ų159.5 Ų59.51%0.00830%0.303CS..Hα-helixtrans-71.2-36.517900000111.3A150 L151 S188 A189 S194 S195A150-A191 HydrophobicContact CB-CB 3.88Å; L151-A191 HydrophobicContact CB-CB 4.26Å; S188-A191 WeakPolarHBondContact O-CB 3.48Å; S188-A191 PolarHBondContact O-N 3.1Å; S188-A191 PolarHBondContact OG-N 3.37Å; A189-A191 VanDerWaalsContact C-N 3.35Å; A189-A191 PolarHBondContact O-N 3.31Å; A191-S194 PolarHBondContact O-N 2.95Å; A191-S195 WeakPolarHBondContact O-CB 3.27Å; A191-S195 PolarHBondContact O-N 3.3Å
192E96.6Very high95.3Very high73 Ų7362.7 Ų62.734%0.34132%0.317SS..Hα-helixtrans-59.5-51.7171.9179.6177.9-170.300111.5K185 S188 A189 S194 S195 R231K185-E192 HydrophobicContact CB-CB 4.25Å; K185-E192 HydrophobicContact CB-CG 4.41Å; K185-E192 HydrophobicContact CG-CB 4.36Å; K185-E192 HydrophobicContact CG-CG 4.48Å; S188-E192 PolarHBondContact O-N 3.34Å; A189-E192 WeakPolarHBondContact O-CB 3.22Å; A189-E192 PolarHBondContact O-N 3.29Å; E192-S194 PolarHBondContact O-N 3.01Å; E192-S195 WeakPolarHBondContact O-CB 3.34Å; E192-S195 PolarHBondContact O-N 3.49Å; E192-S195 PolarHBondContact O-OG 2.98Å; E192-R231 IonicContact OE2-CZ 3.63Å; E192-R231 IonicContact OE2-NE 3.84Å; E192-R231 PolarHBondContact OE2-NE 2.92Å; E192-R231 IonicContact OE2-NH2 3.08Å; E192-R231 PolarHBondContact OE2-NH2 2.92Å
193H96.7Very high95.3Very high41 Ų4158.1 Ų58.119%0.1930%0.298CS..Hα-helixtrans-59-48.2174.5174.676.2000112.2C128 A189 S195 Q196 C197 I229C128-H193 PolarHBondContact SG-CE1 2.96Å; C128-H193 PolarHBondContact SG-NE2 3.05Å; A189-H193 WeakPolarHBondContact O-CB 3.49Å; A189-H193 PolarHBondContact O-N 2.79Å; H193-S195 PolarHBondContact O-N 3.37Å; H193-S195 VanDerWaalsContact O-N 3.15Å; H193-Q196 PolarHBondContact O-N 3.48Å; H193-C197 PolarHBondContact O-N 2.64Å; H193-I229 HydrophobicContact CB-CD1 3.43Å; H193-I229 VanDerWaalsContact CB-CD1 3.43Å
194S96.3Very high95.1Very high6 Ų652.6 Ų52.64%0.04228%0.277CS..Hα-helixtrans-72.4-6.5-177.6-50.80000113.8V190 A191 E192 Q196 C197V190-S194 VanDerWaalsContact O-CB 3.24Å; V190-S194 WeakPolarHBondContact O-CB 3.47Å; V190-S194 PolarHBondContact O-N 3.31Å; V190-S194 PolarHBondContact O-OG 2.77Å; A191-S194 PolarHBondContact O-N 2.95Å; E192-S194 PolarHBondContact O-N 3.01Å; S194-Q196 VanDerWaalsContact C-N 3.3Å; S194-C197 CarbonylContact C-O 3.23Å; S194-C197 WeakPolarHBondContact CA-O 3.02Å
195S94.8Very high95Very high21 Ų2154.1 Ų54.115%0.14728%0.284CS..Hα-helixtrans-75.2-24.4169.175.10000112.3K185 A191 E192 H193K185-S195 WeakPolarHBondContact CE-OG 3.32Å; A191-S195 WeakPolarHBondContact O-CB 3.27Å; A191-S195 PolarHBondContact O-N 3.3Å; E192-S195 WeakPolarHBondContact O-CB 3.34Å; E192-S195 PolarHBondContact O-N 3.49Å; E192-S195 PolarHBondContact O-OG 2.98Å; H193-S195 PolarHBondContact O-N 3.37Å; H193-S195 VanDerWaalsContact O-N 3.15Å
196Q94.4Very high94.9Very high161 Ų16153.8 Ų53.875%0.75228%0.284SS*.Hα-helixtrans-109.5-11.3178.5-61.6172.110.400111.8H193 S194H193-Q196 PolarHBondContact O-N 3.48Å; S194-Q196 VanDerWaalsContact C-N 3.3Å
197C95.3Very high94.7Very high12 Ų1250.7 Ų50.78%0.08127%0.27CS..  trans-125.3121.7179.1-159.60000111.2H193 S194H193-C197 PolarHBondContact O-N 2.64Å; S194-C197 CarbonylContact C-O 3.23Å; S194-C197 WeakPolarHBondContact CA-O 3.02Å
198S91.4Very high94.6Very high112 Ų11251.7 Ų51.778%0.78326%0.263SS*.  trans-94.912178.6-56.30000113.8
199R93Very high94.4Very high141 Ų14152.7 Ų52.753%0.53227%0.267SS..SBendtrans-78.3161.7178.9-67.4-173.5-174.996.6-7111.3D127D127-R199 HydrophobicContact CB-CB 4.05Å; D127-R199 HydrophobicContact CB-CG 4.45Å
200D94.7Very high93.9Very high111 Ų11156.4 Ų56.459%0.59429%0.292SS*.  trans-73.8159.6-176.4-70.4-30.6000111.6C126 D127C126-D200 WeakPolarHBondContact CA-O 3.37Å; D127-D200 PolarHBondContact N-O 3.21Å; D127-D200 WeakPolarHBondContact OD2-CB 3.41Å; D127-D200 PolarHBondContact OD2-N 3.25Å
201L95.6Very high93.5Very high26 Ų2662.1 Ų62.114%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-120.7129.4-177.1-64.3172.1000109.9I124 N125 C126 F144 M148 V190 P203I124-L201 HydrophobicContact CG2-CB 3.97Å; I124-L201 HydrophobicContact CG2-CD2 4.03Å; I124-L201 HydrophobicContact CG2-CG 4.43Å; N125-L201 CarbonylContact O-C 3.43Å; N125-L201 WeakPolarHBondContact O-CA 3.27Å; C126-L201 HydrophobicContact CB-CD2 3.73Å; F144-L201 HydrophobicContact CE2-CB 4.03Å; F144-L201 HydrophobicContact CZ-CB 4.13Å; M148-L201 HydrophobicContact CE-CD1 3.27Å; M148-L201 HydrophobicContact SD-CD1 4.28Å; V190-L201 HydrophobicContact CG1-CD1 3.76Å; V190-L201 HydrophobicContact CG1-CD2 4.46Å; L201-P203 WeakPolarHBondContact O-CD 3.4Å
202H95.1Very high93.1Very high89 Ų8966.4 Ų66.441%0.41234%0.337SS..EExtended strand (participates in β ladder)trans-118.997.2-175.5-65.5-67.4000110.1N125 D127N125-H202 PolarHBondContact N-O 2.86Å; N125-H202 PolarHBondContact O-N 3.5Å; D127-H202 IonicContact OD1-CD2 3.2Å; D127-H202 PolarHBondContact OD1-CD2 3.47Å; D127-H202 VanDerWaalsContact OD1-CD2 3.31Å; D127-H202 IonicContact OD1-NE2 3.31Å; D127-H202 PolarHBondContact OD1-NE2 3.2Å
203P94.7Very high92.8Very high21 Ų2168.9 Ų68.914%0.13634%0.344CS..EExtended strand (participates in β ladder)trans-76.9135.8175.231.6-34.4000111.1V123 I124 L140 F144 L201 I262V123-P203 CarbonylContact O-C 3.58Å; V123-P203 WeakPolarHBondContact O-CA 3.38Å; I124-P203 HydrophobicContact CG1-CB 4.19Å; L140-P203 HydrophobicContact CD1-CB 4.06Å; L140-P203 HydrophobicContact CD2-CB 4.13Å; L140-P203 HydrophobicContact CG-CB 4.2Å; F144-P203 HydrophobicContact CB-CB 4.46Å; F144-P203 HydrophobicContact CD1-CG 4.05Å; F144-P203 HydrophobicContact CD2-CB 3.8Å; F144-P203 HydrophobicContact CD2-CG 3.84Å; F144-P203 HydrophobicContact CE1-CG 4.14Å; F144-P203 HydrophobicContact CE2-CB 4.19Å; F144-P203 HydrophobicContact CE2-CG 3.94Å; F144-P203 HydrophobicContact CG-CB 4.1Å; F144-P203 HydrophobicContact CG-CG 3.9Å; F144-P203 HydrophobicContact CZ-CG 4.09Å; L201-P203 WeakPolarHBondContact O-CD 3.4Å; P203-I262 HydrophobicContact CG-CD1 4.25Å
204S93.4Very high92.5Very high22 Ų2270.8 Ų70.815%0.15436%0.355CS..EExtended strand (participates in β ladder)trans-144.5152.217369.50000112Y122 V123 S259Y122-S204 CarbonylContact C-O 3.59Å; Y122-S204 VanDerWaalsContact CA-O 3.28Å; Y122-S204 WeakPolarHBondContact CA-O 3.46Å; Y122-S204 VanDerWaalsContact CB-O 3.32Å; Y122-S204 WeakPolarHBondContact CB-O 3.41Å; V123-S204 WeakPolarHBondContact CG1-OG 3.46Å; V123-S204 PolarHBondContact N-O 3.44Å; V123-S204 PolarHBondContact O-N 3.42Å; S204-S259 WeakPolarHBondContact CB-OG 3.45Å
205I93.8Very high92.3Very high37 Ų3770.7 Ų70.719%0.1935%0.354CS..EExtended strand (participates in β ladder)trans-85.4127177.8-63171.8000108.5F114 V120 L140F114-I205 HydrophobicContact CE1-CG2 4.29Å; V120-I205 HydrophobicContact CB-CG1 4.48Å; V120-I205 HydrophobicContact CB-CG2 4.17Å; V120-I205 HydrophobicContact CG1-CD1 4.15Å; V120-I205 HydrophobicContact CG1-CG1 4.48Å; V120-I205 HydrophobicContact CG1-CG2 4.19Å; L140-I205 HydrophobicContact CB-CG1 4.22Å; L140-I205 HydrophobicContact CD2-CD1 4.5Å; L140-I205 HydrophobicContact CD2-CG1 3.59Å
206I92.4Very high92.1Very high48 Ų4871.9 Ų71.925%0.24636%0.357CS..EExtended strand (participates in β ladder)trans-81.5-55.8171.5-58171.7000109.3V121 V123 I133 F222 I253V121-I206 HydrophobicContact CG1-CD1 4.3Å; V121-I206 WeakPolarHBondContact O-CB 3.38Å; V121-I206 PolarHBondContact O-N 3.34Å; V123-I206 HydrophobicContact CB-CD1 4.03Å; V123-I206 HydrophobicContact CB-CG1 4.11Å; V123-I206 HydrophobicContact CG1-CD1 4.44Å; V123-I206 HydrophobicContact CG1-CG1 4.01Å; I133-I206 HydrophobicContact CG2-CD1 4.3Å; I206-F222 HydrophobicContact CD1-CB 4.49Å; I206-F222 HydrophobicContact CD1-CD1 4.22Å; I206-F222 HydrophobicContact CD1-CD2 4.36Å; I206-F222 HydrophobicContact CD1-CG 4.11Å; I206-F222 HydrophobicContact CG2-CD1 4.12Å; I206-F222 HydrophobicContact CG2-CD2 4.23Å; I206-F222 HydrophobicContact CG2-CE1 3.5Å; I206-F222 VanDerWaalsContact CG2-CE1 3.5Å; I206-F222 HydrophobicContact CG2-CE2 3.66Å; I206-F222 HydrophobicContact CG2-CG 4.48Å; I206-F222 HydrophobicContact CG2-CZ 3.27Å; I206-I253 HydrophobicContact CD1-CD1 3.71Å; I206-I253 HydrophobicContact CD1-CG1 4.1Å
207C91.8Very high92Very high31 Ų3167.2 Ų67.221%0.20934%0.337CS..EExtended strand (participates in β ladder)trans-155.6162.7-179.671.20000111.8V121V121-C207 PolarHBondContact N-O 3.47Å; V121-C207 PolarHBondContact O-N 2.97Å
208R91.6Very high91.9Very high115 Ų11569.5 Ų69.543%0.43435%0.346SS..EExtended strand (participates in β ladder)trans-96137.6175.5-170-177.5174.9-151.2-3.5110.3F114 G119 K218F114-R208 HydrophobicContact CE2-CB 4.39Å; G119-R208 VanDerWaalsContact O-CG 3.3Å; G119-R208 WeakPolarHBondContact O-CG 3.49Å; R208-K218 PolarHBondContact O-NZ 3.16Å
209E91.9Very high92.1Very high26 Ų2665.4 Ų65.412%0.12131%0.314CS..  trans-148.2113.9171.1-175.548.9-101.900110.4G119 H211 L214 K218G119-E209 CarbonylContact C-O 3.59Å; G119-E209 VanDerWaalsContact C-O 3.23Å; G119-E209 WeakPolarHBondContact CA-O 3.47Å; G119-E209 CarbonylContact O-C 3.57Å; G119-E209 PolarHBondContact O-N 3.45Å; E209-H211 WeakPolarHBondContact CG-O 3.49Å; E209-H211 WeakPolarHBondContact OE1-CB 3.49Å; E209-H211 IonicContact OE1-CD2 3.37Å; E209-H211 IonicContact OE1-CG 3.31Å; E209-H211 PolarHBondContact OE1-N 2.89Å; E209-L214 VanDerWaalsContact CD-CB 3.47Å; E209-L214 HydrophobicContact CG-CB 3.61Å; E209-K218 HydrophobicContact CB-CD 3.96Å; E209-K218 HydrophobicContact CG-CD 4.1Å; E209-K218 WeakPolarHBondContact OE2-CE 3.5Å; E209-K218 IonicContact OE2-NZ 2.9Å; E209-K218 PolarHBondContact OE2-NZ 3.42Å
210S86.3Confident92.1Very high88 Ų8858.8 Ų58.862%0.61529%0.289SS*.  trans-84.3-19.7179.651.10000113
211H88.6Confident92Very high122 Ų12254.3 Ų54.357%0.56527%0.266SS*.SBendtrans-89.6109.3177-66.5-71.5000110E209 R213 L214 G215E209-H211 WeakPolarHBondContact CG-O 3.49Å; E209-H211 WeakPolarHBondContact OE1-CB 3.49Å; E209-H211 IonicContact OE1-CD2 3.37Å; E209-H211 IonicContact OE1-CG 3.31Å; E209-H211 PolarHBondContact OE1-N 2.89Å; H211-R213 VanDerWaalsContact C-N 3.35Å; H211-R213 PolarHBondContact O-N 3.02Å; H211-L214 HydrophobicContact CB-CB 4.06Å; H211-L214 HydrophobicContact CB-CD1 3.96Å; H211-L214 HydrophobicContact CB-CG 3.97Å; H211-L214 WeakPolarHBondContact O-CA 3.24Å; H211-L214 WeakPolarHBondContact O-CB 3.46Å; H211-L214 PolarHBondContact O-N 3Å; H211-G215 PolarHBondContact O-N 2.58Å
212F87.5Confident92Very high92 Ų9253.9 Ų53.940%0.40426%0.263SS..Hα-helixtrans-41.6-55.4-178.8179.8-108.2000113.9E135 L214 G215 Q216E135-F212 WeakPolarHBondContact OE1-CE2 3.21Å; F212-L214 VanDerWaalsContact C-N 3.33Å; F212-L214 PolarHBondContact O-N 2.92Å; F212-G215 WeakPolarHBondContact O-CA 3.4Å; F212-G215 PolarHBondContact O-N 3.24Å; F212-Q216 HydrophobicContact CE1-CG 4.31Å; F212-Q216 HydrophobicContact CE2-CG 4.42Å; F212-Q216 HydrophobicContact CZ-CG 4.16Å; F212-Q216 PolarHBondContact O-N 3.04Å
213R88.6Confident91.9Very high125 Ų12550.2 Ų50.247%0.47225%0.246SC..Hα-helixtrans-61.3-36.9-179.9-164.3176.9-157.2171.18.6114H211 G215 Q216 I217H211-R213 VanDerWaalsContact C-N 3.35Å; H211-R213 PolarHBondContact O-N 3.02Å; R213-G215 VanDerWaalsContact C-N 3.29Å; R213-Q216 PolarHBondContact O-N 3.15Å; R213-I217 HydrophobicContact CG-CD1 4.46Å; R213-I217 WeakPolarHBondContact O-CD1 3.4Å; R213-I217 VanDerWaalsContact O-CG1 3.26Å; R213-I217 WeakPolarHBondContact O-CG1 3.36Å; R213-I217 PolarHBondContact O-N 2.81Å; R213-I217 VanDerWaalsContact O-N 3.11Å
214L90.9Very high91.7Very high81 Ų8153.2 Ų53.242%0.42426%0.258SS..Hα-helixtrans-71.2-30.9175-64.2-175.4000110.9E209 H211 F212 I217 K218E209-L214 VanDerWaalsContact CD-CB 3.47Å; E209-L214 HydrophobicContact CG-CB 3.61Å; H211-L214 HydrophobicContact CB-CB 4.06Å; H211-L214 HydrophobicContact CB-CD1 3.96Å; H211-L214 HydrophobicContact CB-CG 3.97Å; H211-L214 WeakPolarHBondContact O-CA 3.24Å; H211-L214 WeakPolarHBondContact O-CB 3.46Å; H211-L214 PolarHBondContact O-N 3Å; F212-L214 VanDerWaalsContact C-N 3.33Å; F212-L214 PolarHBondContact O-N 2.92Å; L214-I217 HydrophobicContact CD2-CD1 4.35Å; L214-I217 PolarHBondContact O-N 3.03Å; L214-K218 WeakPolarHBondContact O-CB 3.38Å; L214-K218 VanDerWaalsContact O-CG 3.3Å; L214-K218 WeakPolarHBondContact O-CG 3.33Å; L214-K218 PolarHBondContact O-N 3.31Å
215G92.5Very high91.6Very high3 Ų354.8 Ų54.83%0.03127%0.265CS..Hα-helixtrans-59.9-51.1172.200000110.1E135 H211 F212 R213 I217 K218 E219E135-G215 WeakPolarHBondContact OE2-CA 3.32Å; H211-G215 PolarHBondContact O-N 2.58Å; F212-G215 WeakPolarHBondContact O-CA 3.4Å; F212-G215 PolarHBondContact O-N 3.24Å; R213-G215 VanDerWaalsContact C-N 3.29Å; G215-I217 VanDerWaalsContact C-N 3.31Å; G215-I217 PolarHBondContact O-N 3.29Å; G215-K218 CarbonylContact O-C 3.54Å; G215-K218 WeakPolarHBondContact O-CB 3.44Å; G215-K218 PolarHBondContact O-N 2.91Å; G215-E219 WeakPolarHBondContact O-CB 3.03Å; G215-E219 PolarHBondContact O-N 3.37Å
216Q91.7Very high91.4Very high46 Ų4654.7 Ų54.722%0.21527%0.265CS..Hα-helixtrans-60.2-43.9179.9-69.6-176.9-51.200110.9E135 F212 R213 E219 S220 V235E135-Q216 WeakPolarHBondContact OE1-CG 3.39Å; E135-Q216 WeakPolarHBondContact OE2-CA 3.36Å; E135-Q216 PolarHBondContact OE2-N 3.49Å; F212-Q216 HydrophobicContact CE1-CG 4.31Å; F212-Q216 HydrophobicContact CE2-CG 4.42Å; F212-Q216 HydrophobicContact CZ-CG 4.16Å; F212-Q216 PolarHBondContact O-N 3.04Å; R213-Q216 PolarHBondContact O-N 3.15Å; Q216-E219 PolarHBondContact O-N 2.69Å; Q216-S220 WeakPolarHBondContact O-CB 3.37Å; Q216-S220 PolarHBondContact O-N 3.24Å; Q216-S220 PolarHBondContact O-OG 3.22Å; Q216-V235 HydrophobicContact CB-CG2 3.93Å
217I91.6Very high91.3Very high64 Ų6460.9 Ų60.933%0.32830%0.295SS..Hα-helixtrans-60.7-48.2175.7-68.8165.2000110.2R213 L214 G215 S220 L221R213-I217 HydrophobicContact CG-CD1 4.46Å; R213-I217 WeakPolarHBondContact O-CD1 3.4Å; R213-I217 VanDerWaalsContact O-CG1 3.26Å; R213-I217 WeakPolarHBondContact O-CG1 3.36Å; R213-I217 PolarHBondContact O-N 2.81Å; R213-I217 VanDerWaalsContact O-N 3.11Å; L214-I217 HydrophobicContact CD2-CD1 4.35Å; L214-I217 PolarHBondContact O-N 3.03Å; G215-I217 VanDerWaalsContact C-N 3.31Å; G215-I217 PolarHBondContact O-N 3.29Å; I217-S220 PolarHBondContact O-N 3.43Å; I217-L221 HydrophobicContact CG2-CD1 3.88Å; I217-L221 HydrophobicContact CG2-CG 4.36Å; I217-L221 WeakPolarHBondContact O-CG 3.49Å; I217-L221 PolarHBondContact O-N 3.34Å
218K93Very high91.4Very high60 Ų6061.2 Ų61.226%0.26130%0.297SS..Hα-helixtrans-61.1-49178.7-78.7171.9169177.20112V121 R208 E209 L214 G215 S220 L221 F222V121-K218 HydrophobicContact CG2-CB 3.98Å; R208-K218 PolarHBondContact O-NZ 3.16Å; E209-K218 HydrophobicContact CB-CD 3.96Å; E209-K218 HydrophobicContact CG-CD 4.1Å; E209-K218 WeakPolarHBondContact OE2-CE 3.5Å; E209-K218 IonicContact OE2-NZ 2.9Å; E209-K218 PolarHBondContact OE2-NZ 3.42Å; L214-K218 WeakPolarHBondContact O-CB 3.38Å; L214-K218 VanDerWaalsContact O-CG 3.3Å; L214-K218 WeakPolarHBondContact O-CG 3.33Å; L214-K218 PolarHBondContact O-N 3.31Å; G215-K218 CarbonylContact O-C 3.54Å; G215-K218 WeakPolarHBondContact O-CB 3.44Å; G215-K218 PolarHBondContact O-N 2.91Å; K218-S220 VanDerWaalsContact C-N 3.29Å; K218-S220 PolarHBondContact O-N 2.9Å; K218-L221 PolarHBondContact O-N 3.39Å; K218-F222 WeakPolarHBondContact O-CD2 3.38Å; K218-F222 PolarHBondContact O-N 2.69Å
219E94.7Very high91.6Very high26 Ų2658.1 Ų58.112%0.12129%0.289CS..Hα-helixtrans-51.3-50.7174.7178.4-172.6-138.700110.6V121 I133 G134 E135 G215 Q216 L221 F222 I223V121-E219 HydrophobicContact CG1-CB 4.28Å; I133-E219 HydrophobicContact CG2-CG 4.32Å; G134-E219 WeakPolarHBondContact CA-OE1 3.45Å; E135-E219 HydrophobicContact CB-CB 4.26Å; E135-E219 PolarHBondContact N-OE1 2.83Å; G215-E219 WeakPolarHBondContact O-CB 3.03Å; G215-E219 PolarHBondContact O-N 3.37Å; Q216-E219 PolarHBondContact O-N 2.69Å; E219-L221 PolarHBondContact O-N 2.98Å; E219-F222 PolarHBondContact O-N 2.97Å; E219-F222 VanDerWaalsContact O-N 3.1Å; E219-I223 HydrophobicContact CG-CD1 3.76Å; E219-I223 HydrophobicContact CG-CG1 4.43Å; E219-I223 WeakPolarHBondContact O-CG1 3.48Å; E219-I223 PolarHBondContact O-N 3.25Å
220S94.1Very high91.8Very high1 Ų158 Ų581%0.00729%0.289CS..Hα-helixtrans-60.5-43.3179.4-50.20000112Q216 I217 K218 F222 I223 H224 G234 V235Q216-S220 WeakPolarHBondContact O-CB 3.37Å; Q216-S220 PolarHBondContact O-N 3.24Å; Q216-S220 PolarHBondContact O-OG 3.22Å; I217-S220 PolarHBondContact O-N 3.43Å; K218-S220 VanDerWaalsContact C-N 3.29Å; K218-S220 PolarHBondContact O-N 2.9Å; S220-F222 VanDerWaalsContact C-N 3.31Å; S220-F222 PolarHBondContact O-N 3.24Å; S220-I223 PolarHBondContact O-N 2.87Å; S220-H224 WeakPolarHBondContact O-CB 3.47Å; S220-H224 PolarHBondContact O-N 3.24Å; S220-H224 PolarHBondContact O-ND1 3.35Å; S220-G234 WeakPolarHBondContact OG-CA 3.34Å; S220-V235 WeakPolarHBondContact CB-O 3.34Å; S220-V235 PolarHBondContact OG-N 3.23Å
221L93.2Very high92.1Very high18 Ų1860 Ų609%0.09428%0.283CS..Hα-helixtrans-62-39.3176-66.4166.3000111.4I217 K218 E219 N225 F237 W241 I245I217-L221 HydrophobicContact CG2-CD1 3.88Å; I217-L221 HydrophobicContact CG2-CG 4.36Å; I217-L221 WeakPolarHBondContact O-CG 3.49Å; I217-L221 PolarHBondContact O-N 3.34Å; K218-L221 PolarHBondContact O-N 3.39Å; E219-L221 PolarHBondContact O-N 2.98Å; L221-N225 PolarHBondContact O-N 2.97Å; L221-N225 PolarHBondContact O-ND2 3.47Å; L221-F237 HydrophobicContact CD2-CD1 3.8Å; L221-F237 HydrophobicContact CD2-CD2 4.06Å; L221-F237 HydrophobicContact CD2-CE1 3.74Å; L221-F237 HydrophobicContact CD2-CE2 4.03Å; L221-F237 HydrophobicContact CD2-CG 3.94Å; L221-F237 HydrophobicContact CD2-CZ 3.87Å; L221-F237 HydrophobicContact CG-CD1 4.47Å; L221-F237 HydrophobicContact CG-CE1 4.45Å; L221-W241 HydrophobicContact CD2-CB 4.38Å; L221-I245 HydrophobicContact CD2-CD1 3.5Å
222F93.9Very high92.1Very high17 Ų1758.9 Ų58.98%0.07528%0.281CS..Hα-helixtrans-69.4-42.9174.9-77-71.7000111.9V121 I133 I206 K218 E219 S220 H224 N225 N226 C251 I253V121-F222 HydrophobicContact CG1-CD2 4.15Å; I133-F222 HydrophobicContact CD1-CB 4.12Å; I133-F222 HydrophobicContact CG2-CB 3.85Å; I206-F222 HydrophobicContact CD1-CB 4.49Å; I206-F222 HydrophobicContact CD1-CD1 4.22Å; I206-F222 HydrophobicContact CD1-CD2 4.36Å; I206-F222 HydrophobicContact CD1-CG 4.11Å; I206-F222 HydrophobicContact CG2-CD1 4.12Å; I206-F222 HydrophobicContact CG2-CD2 4.23Å; I206-F222 HydrophobicContact CG2-CE1 3.5Å; I206-F222 VanDerWaalsContact CG2-CE1 3.5Å; I206-F222 HydrophobicContact CG2-CE2 3.66Å; I206-F222 HydrophobicContact CG2-CG 4.48Å; I206-F222 HydrophobicContact CG2-CZ 3.27Å; K218-F222 WeakPolarHBondContact O-CD2 3.38Å; K218-F222 PolarHBondContact O-N 2.69Å; E219-F222 PolarHBondContact O-N 2.97Å; E219-F222 VanDerWaalsContact O-N 3.1Å; S220-F222 VanDerWaalsContact C-N 3.31Å; S220-F222 PolarHBondContact O-N 3.24Å; F222-H224 VanDerWaalsContact C-N 3.31Å; F222-H224 PolarHBondContact O-N 2.95Å; F222-N225 PolarHBondContact O-N 3.19Å; F222-N226 WeakPolarHBondContact O-CB 3.48Å; F222-N226 PolarHBondContact O-N 3.33Å; F222-N226 VanDerWaalsContact O-N 3.14Å; F222-N226 PolarHBondContact O-ND2 2.92Å; F222-C251 HydrophobicContact CD1-CB 4.14Å; F222-C251 WeakPolarHBondContact CD1-O 3.44Å; F222-C251 VanDerWaalsContact CE1-CA 3.48Å; F222-C251 HydrophobicContact CE1-CB 4.14Å; F222-I253 HydrophobicContact CD1-CD1 4.44Å; F222-I253 HydrophobicContact CD1-CG1 3.98Å; F222-I253 HydrophobicContact CE1-CG1 4.45Å
223I94Very high92.1Very high12 Ų1261.7 Ų61.76%0.06229%0.293CS..Hα-helixtrans-58.9-43.1177-68.2166.3000111.1I133 E219 S220 N225 N230I133-I223 HydrophobicContact CB-CG1 3.94Å; I133-I223 HydrophobicContact CD1-CG1 4.44Å; I133-I223 HydrophobicContact CG2-CG1 4.05Å; E219-I223 HydrophobicContact CG-CD1 3.76Å; E219-I223 HydrophobicContact CG-CG1 4.43Å; E219-I223 WeakPolarHBondContact O-CG1 3.48Å; E219-I223 PolarHBondContact O-N 3.25Å; S220-I223 PolarHBondContact O-N 2.87Å; I223-N225 VanDerWaalsContact C-N 3.32Å; I223-N225 PolarHBondContact O-N 3Å; I223-N230 HydrophobicContact CD1-CB 4.26Å; I223-N230 VanDerWaalsContact CD1-ND2 3.3Å; I223-N230 WeakPolarHBondContact CD1-ND2 3.37Å; I223-N230 HydrophobicContact CG1-CB 4.37Å; I223-N230 HydrophobicContact CG2-CB 4.26Å
224H90.8Very high92Very high83 Ų8357.5 Ų57.538%0.38429%0.288SS..Hα-helixtrans-70.4-25.5-178.1-78.484.9000114.1S220 F222 K233 F237S220-H224 WeakPolarHBondContact O-CB 3.47Å; S220-H224 PolarHBondContact O-N 3.24Å; S220-H224 PolarHBondContact O-ND1 3.35Å; F222-H224 VanDerWaalsContact C-N 3.31Å; F222-H224 PolarHBondContact O-N 2.95Å; H224-K233 PolarHBondContact CE1-O 3.05Å; H224-K233 PolarHBondContact ND1-O 2.84Å; H224-K233 VanDerWaalsContact ND1-O 3.15Å; H224-F237 HydrophobicContact CB-CE1 3.94Å; H224-F237 HydrophobicContact CB-CZ 3.78Å; H224-F237 AromaticContact CE1-CE1 3.69Å; H224-F237 AromaticContact CG-CE1 3.55Å; H224-F237 AromaticContact CG-CZ 3.73Å; H224-F237 AromaticContact ND1-CE1 3.39Å; H224-F237 WeakPolarHBondContact ND1-CE1 3.37Å
225N90.2Very high91.9Very high56 Ų5656.6 Ų56.630%0.29929%0.286SS..Hα-helixtrans-1050.9-174.8-68.9-71.7000113.9L221 F222 I223 I245 C251L221-N225 PolarHBondContact O-N 2.97Å; L221-N225 PolarHBondContact O-ND2 3.47Å; F222-N225 PolarHBondContact O-N 3.19Å; I223-N225 VanDerWaalsContact C-N 3.32Å; I223-N225 PolarHBondContact O-N 3Å; N225-I245 HydrophobicContact CB-CG2 4.45Å; N225-I245 WeakPolarHBondContact ND2-CD1 3.16Å; N225-C251 HydrophobicContact CB-CB 4.17Å
226N90.9Very high91.6Very high35 Ų3565.2 Ų65.219%0.18733%0.326CS..SBendtrans-135146.5179.4-58.6-88.5000110.4I133 F222 S228 C251 I253I133-N226 HydrophobicContact CD1-CB 4.02Å; F222-N226 WeakPolarHBondContact O-CB 3.48Å; F222-N226 PolarHBondContact O-N 3.33Å; F222-N226 VanDerWaalsContact O-N 3.14Å; F222-N226 PolarHBondContact O-ND2 2.92Å; N226-S228 PolarHBondContact O-N 2.83Å; N226-C251 PolarHBondContact ND2-O 3.3Å; N226-I253 HydrophobicContact CB-CD1 4.3Å; N226-I253 PolarHBondContact OD1-N 3.38Å
227M90.4Very high91.2Very high178 Ų17865 Ų6588%0.87732%0.324SS*.  trans-64.6123.5169.5-67.9-17666.500109.1
228S93.7Very high91Very high38 Ų3865 Ų6527%0.26633%0.329SS..  trans-144.2157.5-177.659.30000112.7S131 N226 N230S131-S228 CarbonylContact O-C 3.57Å; S131-S228 WeakPolarHBondContact O-CA 3.26Å; S131-S228 VanDerWaalsContact O-CB 3.26Å; S131-S228 WeakPolarHBondContact O-CB 3.18Å; N226-S228 PolarHBondContact O-N 2.83Å; S228-N230 VanDerWaalsContact C-N 3.28Å
229I94.7Very high90.6Very high50 Ų5066.5 Ų66.526%0.25635%0.348SS..  trans-90.913.9176.160164.1000112.8A130 S131 Y132 H193A130-I229 HydrophobicContact CB-CG2 3.75Å; S131-I229 WeakPolarHBondContact O-CG1 3.34Å; S131-I229 PolarHBondContact O-N 3Å; Y132-I229 HydrophobicContact CD2-CG1 4.27Å; H193-I229 HydrophobicContact CB-CD1 3.43Å; H193-I229 VanDerWaalsContact CB-CD1 3.43Å
230N95.7Very high90.2Very high22 Ų2271 Ų7112%0.11837%0.371CS..  trans-60.4141.2175-76.263.5000110.5I133 I223 S228I133-N230 PolarHBondContact N-OD1 3.42Å; I133-N230 PolarHBondContact O-ND2 3.25Å; I133-N230 PolarHBondContact O-OD1 2.88Å; I223-N230 HydrophobicContact CD1-CB 4.26Å; I223-N230 VanDerWaalsContact CD1-ND2 3.3Å; I223-N230 WeakPolarHBondContact CD1-ND2 3.37Å; I223-N230 HydrophobicContact CG1-CB 4.37Å; I223-N230 HydrophobicContact CG2-CB 4.26Å; S228-N230 VanDerWaalsContact C-N 3.28Å
231R92.6Very high89.9Confident132 Ų13277.5 Ų77.550%0.49840%0.396SS..SBendtrans-80.5-36.3179.5-58.9-172.5-158.2132.16.6112.3K185 N186 S188 A189 E192K185-R231 PolarHBondContact O-NH2 3.13Å; N186-R231 PolarHBondContact O-NH1 2.98Å; N186-R231 PolarHBondContact O-NH2 2.92Å; S188-R231 PolarHBondContact O-NH2 2.92Å; A189-R231 HydrophobicContact CB-CG 4.18Å; E192-R231 IonicContact OE2-CZ 3.63Å; E192-R231 IonicContact OE2-NE 3.84Å; E192-R231 PolarHBondContact OE2-NE 2.92Å; E192-R231 IonicContact OE2-NH2 3.08Å; E192-R231 PolarHBondContact OE2-NH2 2.92Å
232D89.2Confident89.5Confident98 Ų9879.9 Ų79.952%0.52441%0.411SS..SBendtrans-103.6167.7174.560.462.2000110.5G234D232-G234 PolarHBondContact OD1-N 3.31Å
233K87Confident89.2Confident151 Ų15183 Ų8366%0.65744%0.435SS*.  trans-97.38.3174.7-63.1-170.4177.1-177.10112.2H224H224-K233 PolarHBondContact CE1-O 3.05Å; H224-K233 PolarHBondContact ND1-O 2.84Å; H224-K233 VanDerWaalsContact ND1-O 3.15Å
234G87.9Confident89Confident36 Ų3685.7 Ų85.737%0.37145%0.452SS..  trans65.2-153.9-167.900000113.9S220 D232S220-G234 WeakPolarHBondContact OG-CA 3.34Å; D232-G234 PolarHBondContact OD1-N 3.31Å
235V87.4Confident88.9Confident62 Ų6282 Ų8238%0.37644%0.435SS..SBendtrans-72.2135.8-178.9-1740000111.4Q216 S220Q216-V235 HydrophobicContact CB-CG2 3.93Å; S220-V235 WeakPolarHBondContact CB-O 3.34Å; S220-V235 PolarHBondContact OG-N 3.23Å
236E86.3Confident88.8Confident185 Ų18583.7 Ų83.786%0.86445%0.451SS*.  trans-68.3135.6173-167.8-179.2-179.900111.4
237F84.1Confident88.7Confident42 Ų4291 Ų9118%0.18448%0.481CS..  trans-128.2153.5176.556.8-98.2000111.7L221 H224 W241L221-F237 HydrophobicContact CD2-CD1 3.8Å; L221-F237 HydrophobicContact CD2-CD2 4.06Å; L221-F237 HydrophobicContact CD2-CE1 3.74Å; L221-F237 HydrophobicContact CD2-CE2 4.03Å; L221-F237 HydrophobicContact CD2-CG 3.94Å; L221-F237 HydrophobicContact CD2-CZ 3.87Å; L221-F237 HydrophobicContact CG-CD1 4.47Å; L221-F237 HydrophobicContact CG-CE1 4.45Å; H224-F237 HydrophobicContact CB-CE1 3.94Å; H224-F237 HydrophobicContact CB-CZ 3.78Å; H224-F237 AromaticContact CE1-CE1 3.69Å; H224-F237 AromaticContact CG-CE1 3.55Å; H224-F237 AromaticContact CG-CZ 3.73Å; H224-F237 AromaticContact ND1-CE1 3.39Å; H224-F237 WeakPolarHBondContact ND1-CE1 3.37Å; F237-W241 HydrophobicContact CD2-CB 3.83Å; F237-W241 HydrophobicContact CD2-CG 4.45Å; F237-W241 HydrophobicContact CE2-CB 4.25Å
238S86.8Confident88.7Confident62 Ų6286.6 Ų86.643%0.43447%0.465SS..  trans-59.1138.8177.7174.60000112I240 W241S238-I240 PolarHBondContact O-N 3.45Å; S238-I240 PolarHBondContact OG-N 3.13Å; S238-W241 WeakPolarHBondContact O-CB 3.36Å; S238-W241 PolarHBondContact O-N 3.22Å
239S85.1Confident88.4Confident92 Ų9286.5 Ų86.564%0.64347%0.469SS*.THydrogen-bonded Turntrans-56.7-18.2178.558.80000114.5W241 T242S239-W241 PolarHBondContact O-N 3.29Å; S239-T242 WeakPolarHBondContact O-CB 3.42Å; S239-T242 PolarHBondContact O-N 3.45Å; S239-T242 VanDerWaalsContact O-N 3.15Å; S239-T242 PolarHBondContact O-OG1 2.92Å
240I87.1Confident88.1Confident120 Ų12087.8 Ų87.862%0.61548%0.482SS*.Hα-helixtrans-55.8-39.8172.2-63.6172.7000110.9S238 T242 S243 V244S238-I240 PolarHBondContact O-N 3.45Å; S238-I240 PolarHBondContact OG-N 3.13Å; I240-T242 VanDerWaalsContact C-N 3.3Å; I240-T242 PolarHBondContact O-N 2.92Å; I240-S243 PolarHBondContact O-N 3.3Å; I240-V244 PolarHBondContact O-N 3.02Å
241W86.9Confident87.8Confident139 Ų13987.1 Ų87.153%0.52748%0.479SS..Hα-helixtrans-63.8-35.8179.4-69107.5000112.2L221 F237 S238 S239 S243 V244 I245L221-W241 HydrophobicContact CD2-CB 4.38Å; F237-W241 HydrophobicContact CD2-CB 3.83Å; F237-W241 HydrophobicContact CD2-CG 4.45Å; F237-W241 HydrophobicContact CE2-CB 4.25Å; S238-W241 WeakPolarHBondContact O-CB 3.36Å; S238-W241 PolarHBondContact O-N 3.22Å; S239-W241 PolarHBondContact O-N 3.29Å; W241-S243 VanDerWaalsContact C-N 3.25Å; W241-S243 PolarHBondContact O-N 2.88Å; W241-V244 PolarHBondContact O-N 3.32Å; W241-V244 VanDerWaalsContact O-N 3.11Å; W241-I245 HydrophobicContact CB-CD1 4.3Å; W241-I245 WeakPolarHBondContact O-CD1 3.45Å; W241-I245 WeakPolarHBondContact O-CG1 3.5Å; W241-I245 PolarHBondContact O-N 3.31Å
242T85.5Confident87.5Confident68 Ų6884.2 Ų84.242%0.41748%0.479SS..Hα-helixtrans-57.9-39177.8-47.80000111.9S239 I240 S246S239-T242 WeakPolarHBondContact O-CB 3.42Å; S239-T242 PolarHBondContact O-N 3.45Å; S239-T242 VanDerWaalsContact O-N 3.15Å; S239-T242 PolarHBondContact O-OG1 2.92Å; I240-T242 VanDerWaalsContact C-N 3.3Å; I240-T242 PolarHBondContact O-N 2.92Å; T242-S246 VanDerWaalsContact O-CB 3.3Å; T242-S246 WeakPolarHBondContact O-CB 3.13Å; T242-S246 PolarHBondContact O-N 3.16Å; T242-S246 PolarHBondContact O-OG 2.88Å
243S87Confident87.2Confident82 Ų8280.9 Ų80.957%0.57346%0.461SS*.Hα-helixtrans-68.1-39.1177.6-62.30000112.4I240 W241 S246 K247I240-S243 PolarHBondContact O-N 3.3Å; W241-S243 VanDerWaalsContact C-N 3.25Å; W241-S243 PolarHBondContact O-N 2.88Å; S243-S246 PolarHBondContact O-OG 3.37Å; S243-S246 VanDerWaalsContact O-OG 3.07Å; S243-K247 WeakPolarHBondContact O-CB 3.48Å; S243-K247 PolarHBondContact O-N 3.31Å
244V89.4Confident86.4Confident69 Ų6978.4 Ų78.442%0.41846%0.46SS..Hα-helixtrans-69.6-44.2177.4177.90000110.7I240 W241 K247 T248I240-V244 PolarHBondContact O-N 3.02Å; W241-V244 PolarHBondContact O-N 3.32Å; W241-V244 VanDerWaalsContact O-N 3.11Å; V244-K247 PolarHBondContact O-N 3.48Å; V244-T248 HydrophobicContact CG1-CG2 4.37Å; V244-T248 WeakPolarHBondContact O-CB 3.39Å; V244-T248 VanDerWaalsContact O-CG2 3.3Å; V244-T248 WeakPolarHBondContact O-CG2 3.46Å; V244-T248 PolarHBondContact O-N 3.15Å; V244-T248 PolarHBondContact O-OG1 3.31Å
245I89.3Confident85.1Confident5 Ų583.7 Ų83.73%0.02649%0.485CS..Hα-helixtrans-66.8-47.6-178.4-62.7161.3000110.8L221 N225 W241 K247 T248 G249 C251L221-I245 HydrophobicContact CD2-CD1 3.5Å; N225-I245 HydrophobicContact CB-CG2 4.45Å; N225-I245 WeakPolarHBondContact ND2-CD1 3.16Å; W241-I245 HydrophobicContact CB-CD1 4.3Å; W241-I245 WeakPolarHBondContact O-CD1 3.45Å; W241-I245 WeakPolarHBondContact O-CG1 3.5Å; W241-I245 PolarHBondContact O-N 3.31Å; I245-K247 PolarHBondContact O-N 3.02Å; I245-T248 PolarHBondContact O-N 2.87Å; I245-G249 WeakPolarHBondContact O-CA 3.4Å; I245-G249 PolarHBondContact O-N 3.23Å; I245-C251 HydrophobicContact CG2-CB 3.79Å
246S87.1Confident83.5Confident92 Ų9284.2 Ų84.264%0.64350%0.503SS*.Hα-helixtrans-58.6-36.6178.754.40000112.5T242 S243T242-S246 VanDerWaalsContact O-CB 3.3Å; T242-S246 WeakPolarHBondContact O-CB 3.13Å; T242-S246 PolarHBondContact O-N 3.16Å; T242-S246 PolarHBondContact O-OG 2.88Å; S243-S246 PolarHBondContact O-OG 3.37Å; S243-S246 VanDerWaalsContact O-OG 3.07Å
247K89.7Confident81.5Confident188 Ų18878.9 Ų78.982%0.81749%0.491SS*.Hα-helixtrans-76.8-32.8178.3-170.8170-177.6174.20113.8S243 V244 I245S243-K247 WeakPolarHBondContact O-CB 3.48Å; S243-K247 PolarHBondContact O-N 3.31Å; V244-K247 PolarHBondContact O-N 3.48Å; I245-K247 PolarHBondContact O-N 3.02Å
248T90.7Very high79.5Confident86 Ų8682.8 Ų82.853%0.52852%0.521SS..Hα-helixtrans-98.6-20.8-174.157.30000114V244 I245 C250V244-T248 HydrophobicContact CG1-CG2 4.37Å; V244-T248 WeakPolarHBondContact O-CB 3.39Å; V244-T248 VanDerWaalsContact O-CG2 3.3Å; V244-T248 WeakPolarHBondContact O-CG2 3.46Å; V244-T248 PolarHBondContact O-N 3.15Å; V244-T248 PolarHBondContact O-OG1 3.31Å; I245-T248 PolarHBondContact O-N 2.87Å; T248-C250 PolarHBondContact O-N 3.49Å; T248-C250 PolarHBondContact OG1-N 3.2Å; T248-C250 PolarHBondContact OG1-SG 3.23Å; T248-C250 VanDerWaalsContact OG1-SG 3.36Å
249G86.8Confident77.5Confident35 Ų3582.1 Ų82.136%0.36152%0.516SS..  trans63.715.4-171.600000114I245 C251 S252I245-G249 WeakPolarHBondContact O-CA 3.4Å; I245-G249 PolarHBondContact O-N 3.23Å; G249-C251 PolarHBondContact O-N 3.39Å; G249-C251 VanDerWaalsContact O-N 3.12Å; G249-S252 WeakPolarHBondContact O-CB 3.46Å; G249-S252 PolarHBondContact O-N 3.18Å; G249-S252 VanDerWaalsContact O-N 3.12Å
250C88.1Confident75.4Confident77 Ų7783.4 Ų83.452%0.5252%0.52SS..THydrogen-bonded Turntrans-65.9-19.3-16866.70000114.8T248T248-C250 PolarHBondContact O-N 3.49Å; T248-C250 PolarHBondContact OG1-N 3.2Å; T248-C250 PolarHBondContact OG1-SG 3.23Å; T248-C250 VanDerWaalsContact OG1-SG 3.36Å
251C89.9Confident73.1Confident9 Ų982 Ų826%0.06152%0.518CS..THydrogen-bonded Turntrans-109.515.6178.5-59.30000113.1F222 N225 N226 I245 G249F222-C251 HydrophobicContact CD1-CB 4.14Å; F222-C251 WeakPolarHBondContact CD1-O 3.44Å; F222-C251 VanDerWaalsContact CE1-CA 3.48Å; F222-C251 HydrophobicContact CE1-CB 4.14Å; N225-C251 HydrophobicContact CB-CB 4.17Å; N226-C251 PolarHBondContact ND2-O 3.3Å; I245-C251 HydrophobicContact CG2-CB 3.79Å; G249-C251 PolarHBondContact O-N 3.39Å; G249-C251 VanDerWaalsContact O-N 3.12Å
252S86.7Confident71.4Confident71 Ų7178.8 Ų78.850%0.49751%0.511SS..  trans-84.1132.1173.6-60.40000110.4G249G249-S252 WeakPolarHBondContact O-CB 3.46Å; G249-S252 PolarHBondContact O-N 3.18Å; G249-S252 VanDerWaalsContact O-N 3.12Å
253I83.1Confident69.2Low27 Ų2781.9 Ų81.914%0.13852%0.524CS..  trans-87.7127174-60.3170.9000108.2V123 I133 I206 F222 N226 T255V123-I253 HydrophobicContact CB-CD1 4.23Å; V123-I253 HydrophobicContact CG1-CG2 4.36Å; V123-I253 HydrophobicContact CG2-CD1 4.12Å; I133-I253 HydrophobicContact CD1-CD1 3.68Å; I133-I253 HydrophobicContact CG1-CD1 3.84Å; I206-I253 HydrophobicContact CD1-CD1 3.71Å; I206-I253 HydrophobicContact CD1-CG1 4.1Å; F222-I253 HydrophobicContact CD1-CD1 4.44Å; F222-I253 HydrophobicContact CD1-CG1 3.98Å; F222-I253 HydrophobicContact CE1-CG1 4.45Å; N226-I253 HydrophobicContact CB-CD1 4.3Å; N226-I253 PolarHBondContact OD1-N 3.38Å; I253-T255 PolarHBondContact O-N 3.37Å; I253-T255 VanDerWaalsContact O-N 3.13Å
254P68.8Low66.7Low99 Ų9982.5 Ų82.564%0.64353%0.525SS*.  trans-62.8115.9175.9-18.329.8000110.7G256P254-G256 PolarHBondContact O-N 3.26Å
255T61.7Low64.1Low147 Ų14785.7 Ų85.790%0.90254%0.539SS*.THydrogen-bonded Turntrans-71.9105.9169.750.30000108.7I253I253-T255 PolarHBondContact O-N 3.37Å; I253-T255 VanDerWaalsContact O-N 3.13Å
256G53.1Low61.5Low73 Ų7391.7 Ų91.775%0.75358%0.576SS**THydrogen-bonded Turntrans107.813.3166.800000117.8P254 P258P254-G256 PolarHBondContact O-N 3.26Å; G256-P258 VanDerWaalsContact O-CD 3.27Å; G256-P258 WeakPolarHBondContact O-CD 3.42Å
257A44.4Very low58.8Low73 Ų7392.1 Ų92.160%0.60358%0.579SS**  trans-79.6115.6163.600000108.9S259A257-S259 PolarHBondContact O-N 3.03Å
258P41.9Very low56.1Low125 Ų12596.2 Ų96.281%0.81260%0.601SS**  trans-64.6105.9172.325.3-30.4000108.1G256 V260G256-P258 VanDerWaalsContact O-CD 3.27Å; G256-P258 WeakPolarHBondContact O-CD 3.42Å; P258-V260 PolarHBondContact O-N 2.8Å
259S45.6Very low54.4Low47 Ų4796.7 Ų96.733%0.32961%0.605SS.*PPolyproline II helixtrans-60.9126.416251.30000107.6S204 A257S204-S259 WeakPolarHBondContact CB-OG 3.45Å; A257-S259 PolarHBondContact O-N 3.03Å
260V41.3Very low52.7Low120 Ų12099.9 Ų99.973%0.72762%0.617SS**PPolyproline II helixtrans-46.4125.7174.7179.50000108.8P258 I262P258-V260 PolarHBondContact O-N 2.8Å; V260-I262 PolarHBondContact O-N 2.91Å
261P39.1Very low50.7Low90 Ų90101.2 Ų101.258%0.58462%0.623SS**PPolyproline II helixtrans-54.9129.6179.5-23.731.6000110.4N263 T264P261-N263 PolarHBondContact O-N 3.35Å; P261-T264 PolarHBondContact O-N 3.17Å; P261-T264 PolarHBondContact O-OG1 3.03Å
262I51Low48.4Very low72 Ų72106.6 Ų106.637%0.36966%0.656SS.*G310 helixtrans-60.7-14.8179.1-63.7176000111.7L140 F141 P203 V260L140-I262 HydrophobicContact CD2-CD1 4.09Å; L140-I262 HydrophobicContact CG-CD1 4.47Å; F141-I262 HydrophobicContact CD2-CG2 4.47Å; P203-I262 HydrophobicContact CG-CD1 4.25Å; V260-I262 PolarHBondContact O-N 2.91Å
263N38Very low46Very low132 Ų132108.9 Ų108.971%0.70667%0.666SS**G310 helixtrans-91.611-174.2-73.4-8.6000116.5P261P261-N263 PolarHBondContact O-N 3.35Å
264T35.4Very low43.6Very low95 Ų95114.3 Ų114.358%0.58370%0.701SS**G310 helixtrans-104.920.3175.833.60000115.7P261P261-T264 PolarHBondContact O-N 3.17Å; P261-T264 PolarHBondContact O-OG1 3.03Å
265L35.2Very low41.8Very low137 Ų137115.4 Ų115.472%0.71771%0.705SS**  trans-113.647.3170.7-69.3172.7000112.7
266T33Very low40.2Very low131 Ų131113 Ų11380%0.80469%0.69SS**  trans-139.972.6158.651.80000109.4
267S31.6Very low39.1Very low101 Ų101116.3 Ų116.371%0.70669%0.685SS**  trans-163.4108.6157.448.70000108.4
268E33.3Very low38.7Very low273 Ų273120.3 Ų120.3100%1.27669%0.692SS**  trans76.40163.8-56.4-178.4169.900118.5

Retrieved 268 of 268 residues in 283.4 ms (Link to these results)

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