A0A087XQL8_POEFO Loading...

Cyclin-dependent kinase 8

AlphaFold DB , UniProt , Accession A0A087XQL8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 464 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
1M79.4Confident94.3Very high183 Ų183110.2 Ų110.290%0.90157%0.569SS**  01300-178.8177.8-79.600106.5F5 K6M1-F5 HydrophobicContact CG-CD1 3.98Å; M1-F5 HydrophobicContact SD-CD1 4.4Å; M1-K6 HydrophobicContact CG-CB 4.26Å; M1-K6 HydrophobicContact SD-CB 3.89Å; M1-K6 HydrophobicContact SD-CD 4.35Å; M1-K6 HydrophobicContact SD-CG 3.99Å
2D96.9Very high94.5Very high101 Ų101111.7 Ų111.754%0.5457%0.572SS.*  trans-59.4141.8176.7174.1-103000111.5D4 F5 K6D2-D4 PolarHBondContact OD1-N 2.82Å; D2-F5 HydrophobicContact CB-CB 3.83Å; D2-F5 VanDerWaalsContact OD1-CB 3.32Å; D2-F5 WeakPolarHBondContact OD1-CB 3.44Å; D2-F5 PolarHBondContact OD1-N 3.44Å; D2-K6 WeakPolarHBondContact O-CB 3.32Å; D2-K6 PolarHBondContact O-N 3.25Å
3Y96.6Very high94.7Very high170 Ų170108.9 Ų108.967%0.66755%0.55SS*.Hα-helixtrans-70.7-47.8-173.3177.1-96.1000111.5F5 K6 V7Y3-F5 VanDerWaalsContact C-N 3.32Å; Y3-F5 PolarHBondContact O-N 3.47Å; Y3-K6 WeakPolarHBondContact O-CB 3.41Å; Y3-K6 PolarHBondContact O-N 3.06Å; Y3-K6 VanDerWaalsContact O-N 3.1Å; Y3-V7 HydrophobicContact CD1-CG2 4.17Å; Y3-V7 HydrophobicContact CD2-CG2 4.41Å; Y3-V7 HydrophobicContact CE1-CG2 3.73Å; Y3-V7 HydrophobicContact CE2-CG2 3.99Å; Y3-V7 HydrophobicContact CG-CG2 4.5Å; Y3-V7 WeakPolarHBondContact O-CG2 3.45Å; Y3-V7 PolarHBondContact O-N 2.91Å
4D97Very high94.8Very high116 Ų116108.4 Ų108.462%0.6254%0.544SS*.Hα-helixtrans-64.6-40.9-179-65.4-23.4000110.6D2 K6 V7 K8D2-D4 PolarHBondContact OD1-N 2.82Å; D4-K6 VanDerWaalsContact C-N 3.35Å; D4-K6 PolarHBondContact O-N 3.1Å; D4-V7 PolarHBondContact O-N 3.07Å; D4-K8 VanDerWaalsContact O-CB 3.29Å; D4-K8 WeakPolarHBondContact O-CB 3.44Å; D4-K8 PolarHBondContact O-N 2.93Å
5F96.6Very high95Very high111 Ų111108.4 Ų108.449%0.48754%0.535SS..Hα-helixtrans-56.7-46.5171.4-179.5-101.2000112.1M1 D2 Y3 L9M1-F5 HydrophobicContact CG-CD1 3.98Å; M1-F5 HydrophobicContact SD-CD1 4.4Å; D2-F5 HydrophobicContact CB-CB 3.83Å; D2-F5 VanDerWaalsContact OD1-CB 3.32Å; D2-F5 WeakPolarHBondContact OD1-CB 3.44Å; D2-F5 PolarHBondContact OD1-N 3.44Å; Y3-F5 VanDerWaalsContact C-N 3.32Å; Y3-F5 PolarHBondContact O-N 3.47Å; F5-L9 HydrophobicContact CD1-CD1 4.03Å; F5-L9 HydrophobicContact CD2-CD1 4.48Å; F5-L9 HydrophobicContact CE1-CD1 3.39Å; F5-L9 HydrophobicContact CE1-CG 4.41Å; F5-L9 HydrophobicContact CE2-CD1 3.91Å; F5-L9 HydrophobicContact CE2-CG 4.35Å; F5-L9 HydrophobicContact CZ-CD1 3.33Å; F5-L9 HydrophobicContact CZ-CG 4.24Å; F5-L9 WeakPolarHBondContact O-CB 2.99Å; F5-L9 WeakPolarHBondContact O-CG 3.29Å; F5-L9 PolarHBondContact O-N 3.21Å
6K95.3Very high95.1Very high119 Ų119101.8 Ų101.852%0.51750%0.503SS..Hα-helixtrans-64.4-45.9179.3-176.5-177.5176.3-173.90111.6M1 D2 Y3 D4 T10M1-K6 HydrophobicContact CG-CB 4.26Å; M1-K6 HydrophobicContact SD-CB 3.89Å; M1-K6 HydrophobicContact SD-CD 4.35Å; M1-K6 HydrophobicContact SD-CG 3.99Å; D2-K6 WeakPolarHBondContact O-CB 3.32Å; D2-K6 PolarHBondContact O-N 3.25Å; Y3-K6 WeakPolarHBondContact O-CB 3.41Å; Y3-K6 PolarHBondContact O-N 3.06Å; Y3-K6 VanDerWaalsContact O-N 3.1Å; D4-K6 VanDerWaalsContact C-N 3.35Å; D4-K6 PolarHBondContact O-N 3.1Å; K6-T10 WeakPolarHBondContact O-CB 3.44Å; K6-T10 PolarHBondContact O-N 2.99Å; K6-T10 PolarHBondContact O-OG1 2.89Å
7V96.4Very high95.2Very high74 Ų74100.1 Ų100.145%0.44849%0.494SS..Hα-helixtrans-65.7-46.5-178.7172.20000110.4Y3 D4 L9 T10 G11Y3-V7 HydrophobicContact CD1-CG2 4.17Å; Y3-V7 HydrophobicContact CD2-CG2 4.41Å; Y3-V7 HydrophobicContact CE1-CG2 3.73Å; Y3-V7 HydrophobicContact CE2-CG2 3.99Å; Y3-V7 HydrophobicContact CG-CG2 4.5Å; Y3-V7 WeakPolarHBondContact O-CG2 3.45Å; Y3-V7 PolarHBondContact O-N 2.91Å; D4-V7 PolarHBondContact O-N 3.07Å; V7-L9 PolarHBondContact O-N 3.37Å; V7-T10 PolarHBondContact O-N 3.38Å; V7-T10 VanDerWaalsContact O-N 3.1Å; V7-G11 PolarHBondContact O-N 3.44Å
8K96.7Very high95.3Very high132 Ų13299.9 Ų99.957%0.57450%0.495SS*.Hα-helixtrans-56.9-51.9176.9-177.1177.3179177.90111.7D4 T10 G11 E12D4-K8 VanDerWaalsContact O-CB 3.29Å; D4-K8 WeakPolarHBondContact O-CB 3.44Å; D4-K8 PolarHBondContact O-N 2.93Å; K8-T10 PolarHBondContact O-N 3.29Å; K8-G11 PolarHBondContact O-N 3.1Å; K8-E12 WeakPolarHBondContact CE-OE1 3.36Å; K8-E12 PolarHBondContact O-N 2.71Å
9L95.8Very high95.4Very high65 Ų6596.9 Ų96.934%0.3448%0.481SS..Hα-helixtrans-63.5-27.9177.8-75.5-174.9000113.3F5 V7 R13F5-L9 HydrophobicContact CD1-CD1 4.03Å; F5-L9 HydrophobicContact CD2-CD1 4.48Å; F5-L9 HydrophobicContact CE1-CD1 3.39Å; F5-L9 HydrophobicContact CE1-CG 4.41Å; F5-L9 HydrophobicContact CE2-CD1 3.91Å; F5-L9 HydrophobicContact CE2-CG 4.35Å; F5-L9 HydrophobicContact CZ-CD1 3.33Å; F5-L9 HydrophobicContact CZ-CG 4.24Å; F5-L9 WeakPolarHBondContact O-CB 2.99Å; F5-L9 WeakPolarHBondContact O-CG 3.29Å; F5-L9 PolarHBondContact O-N 3.21Å; V7-L9 PolarHBondContact O-N 3.37Å; L9-R13 VanDerWaalsContact O-CB 3.24Å; L9-R13 WeakPolarHBondContact O-CB 3.24Å; L9-R13 PolarHBondContact O-N 3.26Å
10T93.3Very high95.5Very high69 Ų6992.6 Ų92.642%0.42346%0.459SS..Hα-helixtrans-75.6-35.8176.9-57.50000111.4K6 V7 K8K6-T10 WeakPolarHBondContact O-CB 3.44Å; K6-T10 PolarHBondContact O-N 2.99Å; K6-T10 PolarHBondContact O-OG1 2.89Å; V7-T10 PolarHBondContact O-N 3.38Å; V7-T10 VanDerWaalsContact O-N 3.1Å; K8-T10 PolarHBondContact O-N 3.29Å
11G93.8Very high95.6Very high72 Ų7292 Ų9274%0.74246%0.455SS*.Hα-helixtrans-72.8-32.5176.800000114V7 K8V7-G11 PolarHBondContact O-N 3.44Å; K8-G11 PolarHBondContact O-N 3.1Å
12E96.4Very high96.4Very high128 Ų12885 Ų8560%0.59842%0.418SS*.Hα-helixtrans-91.6-9.6-179.2-67.8175.2-177.200113.9K8 E14K8-E12 WeakPolarHBondContact CE-OE1 3.36Å; K8-E12 PolarHBondContact O-N 2.71Å; E12-E14 PolarHBondContact O-N 3.03Å; E12-E14 VanDerWaalsContact O-N 3.17Å
13R96.4Very high96.3Very high76 Ų7687.4 Ų87.429%0.28743%0.427SS..  trans-70.3114.5-175.4179.1175.7-57.3-97.9-6111.4L9 R15 L86 H88L9-R13 VanDerWaalsContact O-CB 3.24Å; L9-R13 WeakPolarHBondContact O-CB 3.24Å; L9-R13 PolarHBondContact O-N 3.26Å; R13-R15 PolarHBondContact O-N 3.17Å; R13-L86 PolarHBondContact NH1-O 3.17Å; R13-L86 VanDerWaalsContact NH1-O 3.13Å; R13-H88 VanDerWaalsContact CZ-CD2 3.46Å; R13-H88 VanDerWaalsContact CZ-NE2 3.28Å; R13-H88 PolarHBondContact NH1-CD2 2.89Å; R13-H88 PolarHBondContact NH1-NE2 3Å; R13-H88 PolarHBondContact NH2-CE1 3.13Å; R13-H88 PolarHBondContact NH2-NE2 3.37Å
14E97.1Very high96.1Very high102 Ų10282.1 Ų82.148%0.47742%0.424SS..  trans-60.5124.7164.1-68.5-175143.700110.5E12 L19 K83 F85E12-E14 PolarHBondContact O-N 3.03Å; E12-E14 VanDerWaalsContact O-N 3.17Å; E14-L19 HydrophobicContact CB-CD1 3.82Å; E14-L19 HydrophobicContact CG-CD1 4.12Å; E14-K83 IonicContact OE1-NZ 2.96Å; E14-K83 PolarHBondContact OE1-NZ 2.82Å; E14-K83 IonicContact OE2-NZ 2.7Å; E14-K83 PolarHBondContact OE2-NZ 3.01Å; E14-F85 HydrophobicContact CB-CE1 4.23Å
15R96.8Very high96Very high108 Ų10878.2 Ų78.241%0.40841%0.405SS..  trans-107.7146.1176.2-45.4-174.3-175.5171.92.4110.3R13 E17 D18 L19R13-R15 PolarHBondContact O-N 3.17Å; R15-E17 VanDerWaalsContact C-N 3.34Å; R15-E17 HydrophobicContact CB-CG 4.35Å; R15-E17 WeakPolarHBondContact CB-OE1 3.24Å; R15-E17 WeakPolarHBondContact CB-OE2 3.38Å; R15-E17 WeakPolarHBondContact CD-OE1 3.48Å; R15-D18 HydrophobicContact CB-CB 4.26Å; R15-D18 WeakPolarHBondContact CB-OD2 3.22Å; R15-D18 WeakPolarHBondContact CD-OD2 3.46Å; R15-D18 WeakPolarHBondContact CG-OD2 3.28Å; R15-D18 PolarHBondContact O-N 3.43Å; R15-L19 WeakPolarHBondContact O-CG 3.47Å; R15-L19 PolarHBondContact O-N 3.44Å
16V97.3Very high96Very high3 Ų373.9 Ų73.92%0.01839%0.386CS..Hα-helixtrans-67.4-40.7-174.362.80000110.7D18 L19 F20 Y22 L51 F85 W94V16-D18 VanDerWaalsContact C-N 3.31Å; V16-D18 PolarHBondContact O-N 2.7Å; V16-L19 PolarHBondContact O-N 2.96Å; V16-F20 HydrophobicContact CG2-CD2 4.45Å; V16-F20 PolarHBondContact O-N 2.78Å; V16-Y22 HydrophobicContact CG1-CE1 4.5Å; V16-Y22 HydrophobicContact CG2-CE1 4.08Å; V16-L51 HydrophobicContact CG2-CD1 3.54Å; V16-L51 HydrophobicContact CG2-CD2 3.72Å; V16-L51 HydrophobicContact CG2-CG 4.29Å; V16-F85 HydrophobicContact CB-CB 4.28Å; V16-F85 HydrophobicContact CB-CD2 4.17Å; V16-F85 HydrophobicContact CB-CG 4.13Å; V16-F85 HydrophobicContact CG2-CD2 4.19Å; V16-W94 HydrophobicContact CG1-CD2 4.15Å; V16-W94 HydrophobicContact CG1-CG 4.15Å; V16-W94 HydrophobicContact CG1-CZ2 4.45Å; V16-W94 HydrophobicContact CG2-CD2 4.38Å; V16-W94 HydrophobicContact CG2-CE3 4.46Å; V16-W94 HydrophobicContact CG2-CG 4.47Å
17E96.4Very high95.9Very high73 Ų7369.1 Ų69.134%0.34137%0.367SS..Hα-helixtrans-66.8-27.6178.565.2-84.6-161.500113.6R15 K41R15-E17 VanDerWaalsContact C-N 3.34Å; R15-E17 HydrophobicContact CB-CG 4.35Å; R15-E17 WeakPolarHBondContact CB-OE1 3.24Å; R15-E17 WeakPolarHBondContact CB-OE2 3.38Å; R15-E17 WeakPolarHBondContact CD-OE1 3.48Å; E17-K41 PolarHBondContact O-NZ 2.9Å
18D96.6Very high95.5Very high97 Ų9766.6 Ų66.652%0.51936%0.357SS..Hα-helixtrans-80.4-33.6177.4-64.6-23.6000111.4R15 V16 K41R15-D18 HydrophobicContact CB-CB 4.26Å; R15-D18 WeakPolarHBondContact CB-OD2 3.22Å; R15-D18 WeakPolarHBondContact CD-OD2 3.46Å; R15-D18 WeakPolarHBondContact CG-OD2 3.28Å; R15-D18 PolarHBondContact O-N 3.43Å; V16-D18 VanDerWaalsContact C-N 3.31Å; V16-D18 PolarHBondContact O-N 2.7Å; D18-K41 WeakPolarHBondContact O-CD 3.43Å
19L97.5Very high94.9Very high43 Ų4368.3 Ų68.323%0.22536%0.359CS..Hα-helixtrans-92.3-30-173.7-68.6-179.1000113.9E14 R15 V16 R40 K41 F85E14-L19 HydrophobicContact CB-CD1 3.82Å; E14-L19 HydrophobicContact CG-CD1 4.12Å; R15-L19 WeakPolarHBondContact O-CG 3.47Å; R15-L19 PolarHBondContact O-N 3.44Å; V16-L19 PolarHBondContact O-N 2.96Å; L19-R40 WeakPolarHBondContact O-CA 3.49Å; L19-K41 PolarHBondContact O-N 2.9Å; L19-F85 HydrophobicContact CD1-CE1 3.8Å; L19-F85 HydrophobicContact CD1-CZ 4.15Å
20F98.1Very high93.9Very high10 Ų1067.2 Ų67.24%0.04436%0.364CS..EExtended strand (participates in β ladder)trans-127.3140.7-171.5-67-85000112.5V16 Y22 A38 K39 R40 K41 Y49 L51 F85 L96V16-F20 HydrophobicContact CG2-CD2 4.45Å; V16-F20 PolarHBondContact O-N 2.78Å; F20-Y22 HydrophobicContact CB-CD1 4.12Å; F20-A38 HydrophobicContact CB-CB 4.27Å; F20-A38 HydrophobicContact CD1-CB 4.14Å; F20-K39 CarbonylContact C-O 3.58Å; F20-K39 VanDerWaalsContact CA-O 3.28Å; F20-K39 WeakPolarHBondContact CA-O 3.4Å; F20-R40 HydrophobicContact CD1-CG 4.14Å; F20-R40 HydrophobicContact CE1-CG 3.58Å; F20-R40 HydrophobicContact CZ-CG 4.22Å; F20-K41 VanDerWaalsContact O-CE 3.28Å; F20-K41 WeakPolarHBondContact O-CE 3.09Å; F20-Y49 HydrophobicContact CD1-CD2 4.47Å; F20-Y49 AromaticContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CE2 4.27Å; F20-Y49 AromaticContact CE1-CG 3.94Å; F20-Y49 HydrophobicContact CE1-CG 3.94Å; F20-L51 HydrophobicContact CB-CD1 3.76Å; F20-L51 HydrophobicContact CD2-CD1 4.37Å; F20-L51 HydrophobicContact CG-CD1 4.03Å; F20-F85 HydrophobicContact CD2-CZ 4.48Å; F20-F85 HydrophobicContact CE2-CE2 4.04Å; F20-F85 AromaticContact CE2-CZ 3.81Å; F20-F85 HydrophobicContact CE2-CZ 3.81Å; F20-L96 HydrophobicContact CD1-CD1 4.48Å; F20-L96 HydrophobicContact CE1-CD1 3.82Å; F20-L96 HydrophobicContact CE1-CD2 4.41Å; F20-L96 HydrophobicContact CE2-CD1 4.08Å; F20-L96 HydrophobicContact CE2-CD2 4.08Å; F20-L96 HydrophobicContact CZ-CD1 3.61Å; F20-L96 HydrophobicContact CZ-CD2 3.55Å; F20-L96 HydrophobicContact CZ-CG 4.25Å
21E97.5Very high92.7Very high80 Ų8068.1 Ų68.137%0.37437%0.369SS..EExtended strand (participates in β ladder)trans-93.5120.2166-173.452.4-105.700108.6E23 A38 K39 K41E21-E23 PolarHBondContact OE1-N 2.86Å; E21-A38 VanDerWaalsContact O-CA 3.25Å; E21-A38 WeakPolarHBondContact O-CA 3.04Å; E21-K39 PolarHBondContact N-O 2.97Å; E21-K39 PolarHBondContact O-N 3.33Å; E21-K41 HydrophobicContact CB-CG 4.23Å; E21-K41 WeakPolarHBondContact OE2-CE 3.23Å; E21-K41 IonicContact OE2-NZ 3.61Å
22Y96.5Very high91.6Very high35 Ų3567.1 Ų67.114%0.13734%0.343CS..  trans-149.32.1-175.863.8-95.8000113.4V16 F20 C25 Y36 L51 W94V16-Y22 HydrophobicContact CG1-CE1 4.5Å; V16-Y22 HydrophobicContact CG2-CE1 4.08Å; F20-Y22 HydrophobicContact CB-CD1 4.12Å; Y22-C25 WeakPolarHBondContact O-CB 3.46Å; Y22-C25 PolarHBondContact O-N 3.1Å; Y22-C25 VanDerWaalsContact O-N 3.16Å; Y22-Y36 HydrophobicContact CD2-CD1 4.01Å; Y22-Y36 HydrophobicContact CD2-CE1 4.38Å; Y22-Y36 HydrophobicContact CD2-CG 4.18Å; Y22-L51 HydrophobicContact CD1-CD1 3.65Å; Y22-L51 HydrophobicContact CE1-CD1 4.25Å; Y22-L51 HydrophobicContact CG-CD1 4.07Å; Y22-W94 AromaticContact CE2-CH2 3.83Å; Y22-W94 HydrophobicContact CE2-CH2 3.83Å; Y22-W94 HydrophobicContact CE2-CZ3 4.35Å
23E93.8Very high91.2Very high152 Ų15261.2 Ų61.271%0.7132%0.317SS*.THydrogen-bonded Turntrans-65.1136.6178.9-65.6-173.2171.500110.2E21 C25E21-E23 PolarHBondContact OE1-N 2.86Å; E23-C25 PolarHBondContact O-N 3.24Å; E23-C25 PolarHBondContact O-SG 2.86Å
24G92.4Very high90.9Very high60 Ų6059 Ų5962%0.61931%0.31SS*.THydrogen-bonded Turntrans66.91.1-17500000115.4
25C95.6Very high90.8Very high33 Ų3356.3 Ų56.322%0.22330%0.301CS..  trans-103.927.4-172.9-61.30000113.3Y22 E23 V27 Y36 K37 F358Y22-C25 WeakPolarHBondContact O-CB 3.46Å; Y22-C25 PolarHBondContact O-N 3.1Å; Y22-C25 VanDerWaalsContact O-N 3.16Å; E23-C25 PolarHBondContact O-N 3.24Å; E23-C25 PolarHBondContact O-SG 2.86Å; C25-V27 PolarHBondContact O-N 2.92Å; C25-Y36 WeakPolarHBondContact O-CA 3.37Å; C25-K37 HydrophobicContact CB-CB 4.45Å; C25-K37 WeakPolarHBondContact CB-O 3.3Å; C25-K37 PolarHBondContact O-N 3.07Å; C25-F358 HydrophobicContact CB-CD1 4.31Å; C25-F358 HydrophobicContact CB-CE1 3.92Å; C25-F358 HydrophobicContact CB-CZ 4.32Å
26K95.6Very high90.9Very high20 Ų2052.2 Ų52.29%0.08729%0.285CS..EExtended strand (participates in β ladder)trans-68.3126.8179.1-169.1179.8-66.9156.90109.3Y36 F358 L359 E361K26-Y36 HydrophobicContact CB-CD1 3.9Å; K26-Y36 HydrophobicContact CB-CE1 3.84Å; K26-Y36 WeakPolarHBondContact CE-OH 3.33Å; K26-Y36 HydrophobicContact CG-CD1 4.37Å; K26-Y36 HydrophobicContact CG-CE1 4.1Å; K26-F358 CarbonylContact O-C 3.57Å; K26-F358 VanDerWaalsContact O-CA 3.28Å; K26-F358 WeakPolarHBondContact O-CA 3.49Å; K26-L359 HydrophobicContact CG-CB 4.45Å; K26-L359 PolarHBondContact O-N 2.91Å; K26-E361 IonicContact NZ-OE1 3.55Å; K26-E361 PolarHBondContact NZ-OE1 3.24Å
27V93.4Very high90.9Very high19 Ų1953.5 Ų53.512%0.11529%0.291CS..EExtended strand (participates in β ladder)trans-118.3-10.1-178.1-66.40000113.3C25 V35 K37 Y99 R356 F358C25-V27 PolarHBondContact O-N 2.92Å; V27-V35 HydrophobicContact CG2-CB 4.34Å; V27-V35 HydrophobicContact CG2-CG1 3.98Å; V27-V35 WeakPolarHBondContact CG2-O 3.43Å; V27-V35 PolarHBondContact N-O 3.35Å; V27-K37 HydrophobicContact CG1-CB 4Å; V27-Y99 HydrophobicContact CG2-CE2 4.29Å; V27-R356 HydrophobicContact CB-CB 4.35Å; V27-R356 HydrophobicContact CG1-CB 4.22Å; V27-F358 HydrophobicContact CG1-CD1 3.67Å; V27-F358 HydrophobicContact CG1-CE1 3.79Å
28G88.1Confident91Very high22 Ų2250.1 Ų50.123%0.22728%0.275CS..EExtended strand (participates in β ladder)trans-157.1144.9-179.500000112.6V35G28-V35 PolarHBondContact N-O 2.56Å; G28-V35 PolarHBondContact O-N 3.03Å
29R84Confident91Very high168 Ų16848.8 Ų48.863%0.63427%0.265SS*.EExtended strand (participates in β ladder)trans-139135.9172.9-177.4177.8-177.5-170.4-0.4108.7L359R29-L359 HydrophobicContact CB-CD1 4.45Å
30G74.7Confident91Very high42 Ų4250.2 Ų50.243%0.43327%0.267SS..EExtended strand (participates in β ladder)trans-167.1-172.7176.300000111.9Y32 G33G30-Y32 PolarHBondContact O-N 2.96Å; G30-G33 PolarHBondContact N-O 3.37Å; G30-G33 PolarHBondContact O-N 3.27Å
31T68.9Low90.9Very high87 Ų8754.8 Ų54.853%0.53429%0.287SS..THydrogen-bonded Turntrans-57-23.4-179.4-45.40000113.5P192T31-P192 HydrophobicContact CG2-CB 4.42Å
32Y71.6Confident90.7Very high51 Ų5154 Ų5420%0.229%0.285CS..THydrogen-bonded Turntrans-92.3-2.4-178.3-40.6-68.8000113.8G30 E55 D173 F176G30-Y32 PolarHBondContact O-N 2.96Å; Y32-E55 PolarHBondContact O-N 2.91Å; Y32-D173 WeakPolarHBondContact CD2-OD2 3.47Å; Y32-D173 WeakPolarHBondContact CE2-OD2 3.39Å; Y32-F176 HydrophobicContact CE1-CD2 4.15Å; Y32-F176 AromaticContact CE1-CE2 3.49Å; Y32-F176 HydrophobicContact CE1-CE2 3.49Å; Y32-F176 VanDerWaalsContact CE1-CE2 3.49Å; Y32-F176 AromaticContact CE1-CZ 3.76Å; Y32-F176 HydrophobicContact CE1-CZ 3.76Å; Y32-F176 HydrophobicContact CE2-CE2 4.48Å; Y32-F176 AromaticContact CZ-CE2 3.34Å; Y32-F176 AromaticContact CZ-CZ 3.79Å; Y32-F176 WeakPolarHBondContact OH-CE2 3.15Å; Y32-F176 WeakPolarHBondContact OH-CZ 3.5Å
33G85.9Confident90.4Very high5 Ų555.3 Ų55.35%0.05231%0.309CS..EExtended strand (participates in β ladder)trans120.3-144.7174.800000113.2G30 Q53G30-G33 PolarHBondContact N-O 3.37Å; G30-G33 PolarHBondContact O-N 3.27Å; G33-Q53 WeakPolarHBondContact CA-O 3.18Å
34H91.6Very high90.3Very high29 Ų2955.5 Ų55.513%0.13431%0.308CS..EExtended strand (participates in β ladder)trans-120136.3-172.5-56.992000110.5Y36 K52 Q53 E55H34-Y36 HydrophobicContact CB-CD2 4.39Å; H34-Y36 HydrophobicContact CB-CE2 3.51Å; H34-K52 CarbonylContact O-C 3.54Å; H34-K52 WeakPolarHBondContact O-CA 3.37Å; H34-Q53 HydrophobicContact CB-CB 4.45Å; H34-Q53 PolarHBondContact N-O 2.97Å; H34-Q53 PolarHBondContact O-N 3.36Å; H34-E55 IonicContact CE1-OE2 3.31Å
35V95.5Very high90.3Very high46 Ų4654.6 Ų54.628%0.27929%0.289SS..EExtended strand (participates in β ladder)trans-115.7130.3176.2-176.10000109.3V27 G28 A50 L51 K52V27-V35 HydrophobicContact CG2-CB 4.34Å; V27-V35 HydrophobicContact CG2-CG1 3.98Å; V27-V35 WeakPolarHBondContact CG2-O 3.43Å; V27-V35 PolarHBondContact N-O 3.35Å; G28-V35 PolarHBondContact N-O 2.56Å; G28-V35 PolarHBondContact O-N 3.03Å; V35-A50 HydrophobicContact CG1-CB 4.33Å; V35-L51 CarbonylContact C-O 3.38Å; V35-L51 WeakPolarHBondContact CA-O 3.43Å; V35-K52 HydrophobicContact CG2-CB 4.35Å; V35-K52 HydrophobicContact CG2-CG 4.2Å
36Y97.4Very high90.2Very high22 Ų2259.5 Ų59.59%0.08631%0.313CS..EExtended strand (participates in β ladder)trans-118.9140.4179.9-57.2-101.8000109.9Y22 C25 K26 H34 A50 L51 Q53 W94Y22-Y36 HydrophobicContact CD2-CD1 4.01Å; Y22-Y36 HydrophobicContact CD2-CE1 4.38Å; Y22-Y36 HydrophobicContact CD2-CG 4.18Å; C25-Y36 WeakPolarHBondContact O-CA 3.37Å; K26-Y36 HydrophobicContact CB-CD1 3.9Å; K26-Y36 HydrophobicContact CB-CE1 3.84Å; K26-Y36 WeakPolarHBondContact CE-OH 3.33Å; K26-Y36 HydrophobicContact CG-CD1 4.37Å; K26-Y36 HydrophobicContact CG-CE1 4.1Å; H34-Y36 HydrophobicContact CB-CD2 4.39Å; H34-Y36 HydrophobicContact CB-CE2 3.51Å; Y36-A50 WeakPolarHBondContact O-CA 3.42Å; Y36-L51 PolarHBondContact N-O 3.03Å; Y36-L51 PolarHBondContact O-N 3.34Å; Y36-Q53 HydrophobicContact CE2-CB 4.44Å; Y36-W94 HydrophobicContact CD2-CH2 4.37Å; Y36-W94 AromaticContact CD2-CZ3 3.82Å; Y36-W94 HydrophobicContact CD2-CZ3 3.82Å; Y36-W94 AromaticContact CE2-CH2 3.98Å; Y36-W94 HydrophobicContact CE2-CH2 3.98Å; Y36-W94 AromaticContact CE2-CZ3 3.82Å; Y36-W94 HydrophobicContact CE2-CZ3 3.82Å
37K97.8Very high90.1Very high30 Ų3063.8 Ų63.813%0.1333%0.331CS..EExtended strand (participates in β ladder)trans-76.5132161.2-173.6173.3-175.11650107.7C25 V27 D48 Y49 Y99 E101 F358C25-K37 HydrophobicContact CB-CB 4.45Å; C25-K37 WeakPolarHBondContact CB-O 3.3Å; C25-K37 PolarHBondContact O-N 3.07Å; V27-K37 HydrophobicContact CG1-CB 4Å; K37-D48 VanDerWaalsContact CE-OD1 3.25Å; K37-D48 WeakPolarHBondContact CE-OD1 3.07Å; K37-D48 WeakPolarHBondContact CE-OD2 3.35Å; K37-D48 IonicContact NZ-OD1 2.74Å; K37-D48 IonicContact NZ-OD2 3Å; K37-D48 PolarHBondContact NZ-OD2 2.79Å; K37-Y49 CarbonylContact C-O 3.01Å; K37-Y49 WeakPolarHBondContact CA-O 3.31Å; K37-Y99 HydrophobicContact CB-CD2 4.26Å; K37-Y99 HydrophobicContact CB-CE2 3.77Å; K37-Y99 HydrophobicContact CD-CD1 4.46Å; K37-Y99 HydrophobicContact CD-CE1 3.92Å; K37-Y99 HydrophobicContact CD-CE2 4.09Å; K37-Y99 HydrophobicContact CG-CD2 4.02Å; K37-Y99 HydrophobicContact CG-CE1 4.34Å; K37-Y99 HydrophobicContact CG-CE2 3.79Å; K37-Y99 HydrophobicContact CG-CG 4.41Å; K37-E101 IonicContact NZ-OE2 2.68Å; K37-E101 PolarHBondContact NZ-OE2 3.19Å; K37-F358 HydrophobicContact CB-CE1 4Å; K37-F358 HydrophobicContact CD-CE1 4.22Å; K37-F358 HydrophobicContact CD-CZ 4.31Å
38A97.9Very high90.3Very high2 Ų265.1 Ų65.12%0.01734%0.338CS..EExtended strand (participates in β ladder)trans-135.4147.8-172.700000112.2F20 E21 Y49 L51F20-A38 HydrophobicContact CB-CB 4.27Å; F20-A38 HydrophobicContact CD1-CB 4.14Å; E21-A38 VanDerWaalsContact O-CA 3.25Å; E21-A38 WeakPolarHBondContact O-CA 3.04Å; A38-Y49 PolarHBondContact N-O 3.11Å; A38-Y49 PolarHBondContact O-N 2.78Å; A38-L51 HydrophobicContact CB-CB 4.5Å; A38-L51 HydrophobicContact CB-CD1 3.68Å; A38-L51 HydrophobicContact CB-CG 3.97Å
39K97.5Very high90.8Very high69 Ų6964.9 Ų64.930%0.333%0.33SS..EExtended strand (participates in β ladder)trans-119149.3171.8-75.1-71.4-159.9177.50109.8F20 E21 D46 K47 D48F20-K39 CarbonylContact C-O 3.58Å; F20-K39 VanDerWaalsContact CA-O 3.28Å; F20-K39 WeakPolarHBondContact CA-O 3.4Å; E21-K39 PolarHBondContact N-O 2.97Å; E21-K39 PolarHBondContact O-N 3.33Å; K39-D46 PolarHBondContact NZ-O 3.29Å; K39-D46 IonicContact NZ-OD1 3.85Å; K39-D46 PolarHBondContact NZ-OD1 3.39Å; K39-K47 WeakPolarHBondContact CD-O 3.48Å; K39-D48 WeakPolarHBondContact CD-OD1 3.24Å; K39-D48 WeakPolarHBondContact CE-OD1 3.41Å; K39-D48 IonicContact NZ-OD1 3.78Å; K39-D48 PolarHBondContact NZ-OD1 3.48Å; K39-D48 VanDerWaalsContact NZ-OD1 3.14Å
40R96.9Very high91.5Very high73 Ų7357.5 Ų57.528%0.27531%0.305SS..EExtended strand (participates in β ladder)trans-73.4135174.8-68.2175.767.8139.712.8111L19 F20 D42 D45 Y49L19-R40 WeakPolarHBondContact O-CA 3.49Å; F20-R40 HydrophobicContact CD1-CG 4.14Å; F20-R40 HydrophobicContact CE1-CG 3.58Å; F20-R40 HydrophobicContact CZ-CG 4.22Å; R40-D42 WeakPolarHBondContact CB-OD1 3.47Å; R40-D42 IonicContact CZ-OD1 3.49Å; R40-D42 IonicContact CZ-OD2 3.66Å; R40-D42 IonicContact NE-OD1 2.84Å; R40-D42 PolarHBondContact NE-OD1 3.06Å; R40-D42 IonicContact NE-OD2 3.73Å; R40-D42 IonicContact NH2-OD1 3.39Å; R40-D42 PolarHBondContact NH2-OD1 3.17Å; R40-D42 IonicContact NH2-OD2 2.78Å; R40-D42 PolarHBondContact NH2-OD2 3.44Å; R40-D45 WeakPolarHBondContact CD-OD2 3.36Å; R40-D45 IonicContact CZ-OD2 3.81Å; R40-D45 IonicContact NE-OD2 3.74Å; R40-D45 IonicContact NH1-OD2 3.11Å; R40-D45 PolarHBondContact NH1-OD2 3.25Å; R40-D45 VanDerWaalsContact NH1-OD2 3.11Å; R40-Y49 HydrophobicContact CG-CD2 4.21Å; R40-Y49 HydrophobicContact CG-CE2 3.68Å
41K96.6Very high92.6Very high105 Ų10555.5 Ų55.546%0.45728%0.284SS..THydrogen-bonded Turntrans-74.9-25.8175.5-71.8-178.8171.6175.50113.1E17 D18 L19 F20 E21 G43E17-K41 PolarHBondContact O-NZ 2.9Å; D18-K41 WeakPolarHBondContact O-CD 3.43Å; L19-K41 PolarHBondContact O-N 2.9Å; F20-K41 VanDerWaalsContact O-CE 3.28Å; F20-K41 WeakPolarHBondContact O-CE 3.09Å; E21-K41 HydrophobicContact CB-CG 4.23Å; E21-K41 WeakPolarHBondContact OE2-CE 3.23Å; E21-K41 IonicContact OE2-NZ 3.61Å; K41-G43 VanDerWaalsContact C-N 3.25Å; K41-G43 PolarHBondContact O-N 3.03Å
42D93.9Very high93.8Very high64 Ų6452.1 Ų52.134%0.34226%0.262SS..THydrogen-bonded Turntrans-79-3.5-178.370.9-3.3000114.3R40 K44R40-D42 WeakPolarHBondContact CB-OD1 3.47Å; R40-D42 IonicContact CZ-OD1 3.49Å; R40-D42 IonicContact CZ-OD2 3.66Å; R40-D42 IonicContact NE-OD1 2.84Å; R40-D42 PolarHBondContact NE-OD1 3.06Å; R40-D42 IonicContact NE-OD2 3.73Å; R40-D42 IonicContact NH2-OD1 3.39Å; R40-D42 PolarHBondContact NH2-OD1 3.17Å; R40-D42 IonicContact NH2-OD2 2.78Å; R40-D42 PolarHBondContact NH2-OD2 3.44Å; D42-K44 HydrophobicContact CB-CG 4.39Å; D42-K44 PolarHBondContact O-N 3.45Å; D42-K44 VanDerWaalsContact O-N 3.08Å; D42-K44 PolarHBondContact OD1-N 3.15Å; D42-K44 VanDerWaalsContact OD2-CD 3.23Å; D42-K44 WeakPolarHBondContact OD2-CD 3.26Å; D42-K44 VanDerWaalsContact OD2-CE 3.28Å; D42-K44 WeakPolarHBondContact OD2-CE 3.28Å; D42-K44 WeakPolarHBondContact OD2-CG 2.84Å; D42-K44 IonicContact OD2-NZ 2.78Å; D42-K44 PolarHBondContact OD2-NZ 2.99Å
43G89.4Confident94.9Very high62 Ų6250.9 Ų50.964%0.63926%0.258SS*.  trans62.713.9176.400000115.1K41 D45K41-G43 VanDerWaalsContact C-N 3.25Å; K41-G43 PolarHBondContact O-N 3.03Å; G43-D45 PolarHBondContact O-N 2.99Å
44K91.3Very high95.2Very high157 Ų15751.2 Ų51.268%0.68326%0.259SS*.SBendtrans-68.1-25-177.4-73-171.8-171.4126.10113.5D42D42-K44 HydrophobicContact CB-CG 4.39Å; D42-K44 PolarHBondContact O-N 3.45Å; D42-K44 VanDerWaalsContact O-N 3.08Å; D42-K44 PolarHBondContact OD1-N 3.15Å; D42-K44 VanDerWaalsContact OD2-CD 3.23Å; D42-K44 WeakPolarHBondContact OD2-CD 3.26Å; D42-K44 VanDerWaalsContact OD2-CE 3.28Å; D42-K44 WeakPolarHBondContact OD2-CE 3.28Å; D42-K44 WeakPolarHBondContact OD2-CG 2.84Å; D42-K44 IonicContact OD2-NZ 2.78Å; D42-K44 PolarHBondContact OD2-NZ 2.99Å
45D93.1Very high94.9Very high40 Ų4054.3 Ų54.321%0.21427%0.273CS..  trans-149158.5172.264.166.9000109.9R40 G43 K47 Y49R40-D45 WeakPolarHBondContact CD-OD2 3.36Å; R40-D45 IonicContact CZ-OD2 3.81Å; R40-D45 IonicContact NE-OD2 3.74Å; R40-D45 IonicContact NH1-OD2 3.11Å; R40-D45 PolarHBondContact NH1-OD2 3.25Å; R40-D45 VanDerWaalsContact NH1-OD2 3.11Å; G43-D45 PolarHBondContact O-N 2.99Å; D45-K47 HydrophobicContact CB-CG 4.32Å; D45-K47 WeakPolarHBondContact OD1-CB 3.37Å; D45-K47 PolarHBondContact OD1-N 2.83Å; D45-K47 VanDerWaalsContact OD1-N 3.11Å; D45-Y49 VanDerWaalsContact CG-OH 3.3Å; D45-Y49 VanDerWaalsContact OD1-CE2 3.31Å; D45-Y49 WeakPolarHBondContact OD1-CE2 3.5Å; D45-Y49 PolarHBondContact OD1-OH 2.84Å; D45-Y49 PolarHBondContact OD2-OH 3.08Å
46D92.2Very high94.5Very high137 Ų13753.7 Ų53.773%0.73328%0.276SS*.  trans-100.726.3176.6-168.525.6000111.6K39K39-D46 PolarHBondContact NZ-O 3.29Å; K39-D46 IonicContact NZ-OD1 3.85Å; K39-D46 PolarHBondContact NZ-OD1 3.39Å
47K94.8Very high94.1Very high110 Ų11057 Ų5748%0.47830%0.299SS..  trans-78.2144.9-179.6-63178.5-178.5177.90110.4K39 D45 Y49K39-K47 WeakPolarHBondContact CD-O 3.48Å; D45-K47 HydrophobicContact CB-CG 4.32Å; D45-K47 WeakPolarHBondContact OD1-CB 3.37Å; D45-K47 PolarHBondContact OD1-N 2.83Å; D45-K47 VanDerWaalsContact OD1-N 3.11Å; K47-Y49 HydrophobicContact CB-CE2 3.85Å; K47-Y49 WeakPolarHBondContact O-CD2 3.47Å
48D97.4Very high93.6Very high46 Ų4656.5 Ų56.525%0.24630%0.302CS..  trans-80.6134.2164.9-69.2-35.2000109.2K37 K39 Y99K37-D48 VanDerWaalsContact CE-OD1 3.25Å; K37-D48 WeakPolarHBondContact CE-OD1 3.07Å; K37-D48 WeakPolarHBondContact CE-OD2 3.35Å; K37-D48 IonicContact NZ-OD1 2.74Å; K37-D48 IonicContact NZ-OD2 3Å; K37-D48 PolarHBondContact NZ-OD2 2.79Å; K39-D48 WeakPolarHBondContact CD-OD1 3.24Å; K39-D48 WeakPolarHBondContact CE-OD1 3.41Å; K39-D48 IonicContact NZ-OD1 3.78Å; K39-D48 PolarHBondContact NZ-OD1 3.48Å; K39-D48 VanDerWaalsContact NZ-OD1 3.14Å; D48-Y99 VanDerWaalsContact C-CB 3.41Å; D48-Y99 HydrophobicContact CB-CD1 3.88Å; D48-Y99 HydrophobicContact CB-CG 3.96Å; D48-Y99 WeakPolarHBondContact O-CB 3.45Å; D48-Y99 PolarHBondContact O-N 3.14Å; D48-Y99 VanDerWaalsContact O-N 3.15Å
49Y98.2Very high93.1Very high18 Ų1861.5 Ų61.57%0.07133%0.327CS..EExtended strand (participates in β ladder)trans-114.7155.3174.7-66.2-88.5000111.1F20 K37 A38 R40 D45 K47 L96 F97F20-Y49 HydrophobicContact CD1-CD2 4.47Å; F20-Y49 AromaticContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CD2 3.79Å; F20-Y49 HydrophobicContact CE1-CE2 4.27Å; F20-Y49 AromaticContact CE1-CG 3.94Å; F20-Y49 HydrophobicContact CE1-CG 3.94Å; K37-Y49 CarbonylContact C-O 3.01Å; K37-Y49 WeakPolarHBondContact CA-O 3.31Å; A38-Y49 PolarHBondContact N-O 3.11Å; A38-Y49 PolarHBondContact O-N 2.78Å; R40-Y49 HydrophobicContact CG-CD2 4.21Å; R40-Y49 HydrophobicContact CG-CE2 3.68Å; D45-Y49 VanDerWaalsContact CG-OH 3.3Å; D45-Y49 VanDerWaalsContact OD1-CE2 3.31Å; D45-Y49 WeakPolarHBondContact OD1-CE2 3.5Å; D45-Y49 PolarHBondContact OD1-OH 2.84Å; D45-Y49 PolarHBondContact OD2-OH 3.08Å; K47-Y49 HydrophobicContact CB-CE2 3.85Å; K47-Y49 WeakPolarHBondContact O-CD2 3.47Å; Y49-L96 HydrophobicContact CD1-CD1 3.89Å; Y49-L96 HydrophobicContact CD1-CD2 4.34Å; Y49-L96 HydrophobicContact CD1-CG 4.14Å; Y49-L96 HydrophobicContact CG-CD1 4Å; Y49-F97 WeakPolarHBondContact CA-O 3.46Å
50A98Very high92.5Very high12 Ų1260.5 Ų60.510%0.09933%0.329CS..EExtended strand (participates in β ladder)trans-104.3123.6166.800000109.4V35 Y36 F97 Y99V35-A50 HydrophobicContact CG1-CB 4.33Å; Y36-A50 WeakPolarHBondContact O-CA 3.42Å; A50-F97 HydrophobicContact CB-CB 4.29Å; A50-F97 PolarHBondContact N-O 3.09Å; A50-F97 PolarHBondContact O-N 2.62Å; A50-Y99 HydrophobicContact CB-CD2 4.1Å
51L97.7Very high91.6Very high0 Ų063.8 Ų63.80%035%0.349CS..EExtended strand (participates in β ladder)trans-104.1114.4170.6-82.1173.9000109.3V16 F20 Y22 V35 Y36 A38 F85 W94 L95 L96V16-L51 HydrophobicContact CG2-CD1 3.54Å; V16-L51 HydrophobicContact CG2-CD2 3.72Å; V16-L51 HydrophobicContact CG2-CG 4.29Å; F20-L51 HydrophobicContact CB-CD1 3.76Å; F20-L51 HydrophobicContact CD2-CD1 4.37Å; F20-L51 HydrophobicContact CG-CD1 4.03Å; Y22-L51 HydrophobicContact CD1-CD1 3.65Å; Y22-L51 HydrophobicContact CE1-CD1 4.25Å; Y22-L51 HydrophobicContact CG-CD1 4.07Å; V35-L51 CarbonylContact C-O 3.38Å; V35-L51 WeakPolarHBondContact CA-O 3.43Å; Y36-L51 PolarHBondContact N-O 3.03Å; Y36-L51 PolarHBondContact O-N 3.34Å; A38-L51 HydrophobicContact CB-CB 4.5Å; A38-L51 HydrophobicContact CB-CD1 3.68Å; A38-L51 HydrophobicContact CB-CG 3.97Å; L51-F85 HydrophobicContact CD2-CE2 4.36Å; L51-W94 HydrophobicContact CB-CE3 4.21Å; L51-W94 HydrophobicContact CB-CZ3 4.36Å; L51-L95 WeakPolarHBondContact CA-O 3.16Å; L51-L96 HydrophobicContact CD2-CB 4.28Å; L51-L96 HydrophobicContact CD2-CD1 3.69Å; L51-L96 HydrophobicContact CG-CD1 4.09Å
52K95.6Very high90.7Very high17 Ų1760.7 Ų60.77%0.07434%0.341CS..EExtended strand (participates in β ladder)trans-98.6110.9173.3-176.6179.9-179.9-176.60109.2H34 V35 E66 W94 L95 F97 D173H34-K52 CarbonylContact O-C 3.54Å; H34-K52 WeakPolarHBondContact O-CA 3.37Å; V35-K52 HydrophobicContact CG2-CB 4.35Å; V35-K52 HydrophobicContact CG2-CG 4.2Å; K52-E66 VanDerWaalsContact NZ-CD 3.34Å; K52-E66 IonicContact NZ-OE1 3.85Å; K52-E66 PolarHBondContact NZ-OE1 2.94Å; K52-E66 IonicContact NZ-OE2 2.88Å; K52-E66 PolarHBondContact NZ-OE2 2.77Å; K52-E66 VanDerWaalsContact NZ-OE2 3.14Å; K52-W94 CarbonylContact O-C 3.28Å; K52-W94 VanDerWaalsContact O-CA 3.31Å; K52-W94 WeakPolarHBondContact O-CA 3.33Å; K52-L95 HydrophobicContact CB-CB 4.36Å; K52-L95 PolarHBondContact N-O 2.91Å; K52-L95 PolarHBondContact O-N 2.86Å; K52-F97 HydrophobicContact CB-CE2 4.02Å; K52-D173 IonicContact NZ-OD1 3.51Å; K52-D173 PolarHBondContact NZ-OD1 2.93Å
53Q94.9Very high90.2Very high24 Ų2457.7 Ų57.711%0.11233%0.325CS..EExtended strand (participates in β ladder)trans-81.1119.4164.5-167-173.666.500108.4G33 H34 Y36 K92 W94G33-Q53 WeakPolarHBondContact CA-O 3.18Å; H34-Q53 HydrophobicContact CB-CB 4.45Å; H34-Q53 PolarHBondContact N-O 2.97Å; H34-Q53 PolarHBondContact O-N 3.36Å; Y36-Q53 HydrophobicContact CE2-CB 4.44Å; Q53-K92 HydrophobicContact CG-CD 4.29Å; Q53-W94 HydrophobicContact CB-CD2 3.93Å; Q53-W94 HydrophobicContact CB-CE3 3.64Å; Q53-W94 HydrophobicContact CB-CH2 3.79Å; Q53-W94 HydrophobicContact CB-CZ2 4.07Å; Q53-W94 HydrophobicContact CB-CZ3 3.57Å; Q53-W94 HydrophobicContact CG-CD2 3.99Å; Q53-W94 HydrophobicContact CG-CE3 4.21Å; Q53-W94 HydrophobicContact CG-CH2 4.03Å; Q53-W94 HydrophobicContact CG-CZ2 3.8Å; Q53-W94 HydrophobicContact CG-CZ3 4.23Å
54I90.8Very high90Very high13 Ų1357.9 Ų57.97%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-71138.8178.6-56.1-176.9000110.2A63 V93 L95I54-A63 HydrophobicContact CD1-CB 3.59Å; I54-A63 HydrophobicContact CG2-CB 4.08Å; I54-V93 HydrophobicContact CB-CB 4.37Å; I54-V93 HydrophobicContact CD1-CB 4.04Å; I54-V93 HydrophobicContact CD1-CG1 3.65Å; I54-V93 HydrophobicContact CG1-CB 4.32Å; I54-V93 HydrophobicContact CG1-CG1 4.29Å; I54-V93 PolarHBondContact N-O 2.73Å; I54-L95 HydrophobicContact CD1-CD1 4Å; I54-L95 HydrophobicContact CD1-CD2 4.37Å; I54-L95 HydrophobicContact CD1-CG 4.08Å; I54-L95 HydrophobicContact CG1-CD1 4.38Å; I54-L95 HydrophobicContact CG1-CG 4.33Å
55E86.1Confident89.6Confident94 Ų9452.9 Ų52.944%0.43929%0.292SS..SBendtrans-59.2145.7176.4-168.952.8-136.600112.6Y32 H34Y32-E55 PolarHBondContact O-N 2.91Å; H34-E55 IonicContact CE1-OE2 3.31Å
56G87.1Confident89.3Confident33 Ų3351.3 Ų51.334%0.3428%0.284SS..SBendtrans79.8-159.1-178.300000114.4K92G56-K92 WeakPolarHBondContact O-CD 3.14Å; G56-K92 WeakPolarHBondContact O-CE 3.37Å; G56-K92 PolarHBondContact O-NZ 3.2Å
57T88.1Confident89.2Confident92 Ų9246.6 Ų46.656%0.56426%0.258SS*.SBendtrans-133151.6179.160.30000110.8
58G88.8Confident89Confident18 Ų1844 Ų4419%0.18626%0.257CS..SBendtrans73.1-163.6-174.800000113.1R91 V93G58-R91 PolarHBondContact N-O 2.88Å; G58-V93 WeakPolarHBondContact O-CG2 3.43Å
59I86.4Confident88.6Confident107 Ų10742.6 Ų42.655%0.54925%0.25SC..  trans-101.595.6-179.5-56176.6000107.8A63 C64 V93I59-A63 HydrophobicContact CG2-CB 4.33Å; I59-C64 HydrophobicContact CG2-CB 3.7Å; I59-V93 HydrophobicContact CG1-CG2 4.36Å
60S84.1Confident88.4Confident49 Ų4942 Ų4234%0.34325%0.247SC..  trans-67.6162.4171.971.70000111.1S62 A63 C64S60-S62 PolarHBondContact O-N 3.36Å; S60-A63 WeakPolarHBondContact O-CB 3.36Å; S60-A63 PolarHBondContact O-N 3.08Å; S60-A63 VanDerWaalsContact O-N 3.1Å; S60-A63 WeakPolarHBondContact OG-CB 3.25Å; S60-A63 PolarHBondContact OG-N 3.49Å; S60-A63 VanDerWaalsContact OG-N 3.08Å; S60-C64 WeakPolarHBondContact O-CB 3.2Å; S60-C64 PolarHBondContact O-N 3.38Å
61M78.1Confident88.2Confident141 Ų14149.5 Ų49.570%0.69527%0.273SS*.Hα-helixtrans-58.5-32.2174-73.6-60.5-62.800112.4R65M61-R65 VanDerWaalsContact O-CB 3.26Å; M61-R65 WeakPolarHBondContact O-CB 3.49Å; M61-R65 PolarHBondContact O-N 3.33Å; M61-R65 PolarHBondContact O-NH2 2.94Å
62S78.5Confident88.1Confident41 Ų4156.7 Ų56.729%0.28731%0.307SS..Hα-helixtrans-68.5-47.1173.6-56.60000111.2S60 R65 E66S60-S62 PolarHBondContact O-N 3.36Å; S62-R65 PolarHBondContact O-N 3.08Å; S62-E66 WeakPolarHBondContact O-CB 3.4Å; S62-E66 PolarHBondContact O-N 3.32Å
63A83.9Confident88Confident0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-60.6-48.6177.600000112.6I54 I59 S60 R65 E66 I67I54-A63 HydrophobicContact CD1-CB 3.59Å; I54-A63 HydrophobicContact CG2-CB 4.08Å; I59-A63 HydrophobicContact CG2-CB 4.33Å; S60-A63 WeakPolarHBondContact O-CB 3.36Å; S60-A63 PolarHBondContact O-N 3.08Å; S60-A63 VanDerWaalsContact O-N 3.1Å; S60-A63 WeakPolarHBondContact OG-CB 3.25Å; S60-A63 PolarHBondContact OG-N 3.49Å; S60-A63 VanDerWaalsContact OG-N 3.08Å; A63-R65 VanDerWaalsContact C-N 3.27Å; A63-R65 PolarHBondContact O-N 2.88Å; A63-E66 PolarHBondContact O-N 3.43Å; A63-I67 WeakPolarHBondContact O-CB 3.11Å; A63-I67 VanDerWaalsContact O-CG1 3.28Å; A63-I67 WeakPolarHBondContact O-CG1 3.39Å; A63-I67 PolarHBondContact O-N 2.8Å
64C85.3Confident88.2Confident66 Ų6663.9 Ų63.945%0.44634%0.338SS..Hα-helixtrans-56.1-45.3179.7-178.60000111.2I59 S60 A68I59-C64 HydrophobicContact CG2-CB 3.7Å; S60-C64 WeakPolarHBondContact O-CB 3.2Å; S60-C64 PolarHBondContact O-N 3.38Å; C64-A68 VanDerWaalsContact O-CB 3.24Å; C64-A68 WeakPolarHBondContact O-CB 3.25Å; C64-A68 PolarHBondContact O-N 3.31Å
65R82.9Confident88.5Confident53 Ų5364.9 Ų64.920%0.234%0.343CS..Hα-helixtrans-72-42.7-178-169.5-164.6-23.6-108.95.7112.9M61 S62 A63 I67 A68 L69 A177 R178M61-R65 VanDerWaalsContact O-CB 3.26Å; M61-R65 WeakPolarHBondContact O-CB 3.49Å; M61-R65 PolarHBondContact O-N 3.33Å; M61-R65 PolarHBondContact O-NH2 2.94Å; S62-R65 PolarHBondContact O-N 3.08Å; A63-R65 VanDerWaalsContact C-N 3.27Å; A63-R65 PolarHBondContact O-N 2.88Å; R65-I67 VanDerWaalsContact C-N 3.31Å; R65-A68 PolarHBondContact O-N 3.46Å; R65-L69 HydrophobicContact CG-CD1 4.01Å; R65-L69 HydrophobicContact CG-CG 4.44Å; R65-L69 WeakPolarHBondContact O-CB 3.34Å; R65-L69 WeakPolarHBondContact O-CG 3.31Å; R65-L69 PolarHBondContact O-N 3.14Å; R65-A177 WeakPolarHBondContact CD-O 3.22Å; R65-R178 VanDerWaalsContact CD-NH1 3.27Å; R65-R178 VanDerWaalsContact NH2-NH2 3.16Å
66E86Confident89.1Confident7 Ų763.6 Ų63.63%0.03334%0.342CS..Hα-helixtrans-59.4-46.3176.2-176.8168.9-159.200110K52 S62 A63 L70 L95K52-E66 VanDerWaalsContact NZ-CD 3.34Å; K52-E66 IonicContact NZ-OE1 3.85Å; K52-E66 PolarHBondContact NZ-OE1 2.94Å; K52-E66 IonicContact NZ-OE2 2.88Å; K52-E66 PolarHBondContact NZ-OE2 2.77Å; K52-E66 VanDerWaalsContact NZ-OE2 3.14Å; S62-E66 WeakPolarHBondContact O-CB 3.4Å; S62-E66 PolarHBondContact O-N 3.32Å; A63-E66 PolarHBondContact O-N 3.43Å; E66-L70 HydrophobicContact CG-CD1 3.57Å; E66-L70 HydrophobicContact CG-CG 4.43Å; E66-L70 VanDerWaalsContact O-CB 3.24Å; E66-L70 WeakPolarHBondContact O-CB 3.11Å; E66-L70 VanDerWaalsContact O-CG 3.25Å; E66-L70 WeakPolarHBondContact O-CG 3.37Å; E66-L70 PolarHBondContact O-N 2.98Å; E66-L95 HydrophobicContact CG-CD1 3.99Å
67I90.4Very high89.7Confident37 Ų3762.3 Ų62.319%0.1933%0.328CS..Hα-helixtrans-61.5-50174.7-67164.9000111.1A63 R65 L69 R71 V84 V93 L95A63-I67 WeakPolarHBondContact O-CB 3.11Å; A63-I67 VanDerWaalsContact O-CG1 3.28Å; A63-I67 WeakPolarHBondContact O-CG1 3.39Å; A63-I67 PolarHBondContact O-N 2.8Å; R65-I67 VanDerWaalsContact C-N 3.31Å; I67-L69 PolarHBondContact O-N 3.17Å; I67-R71 WeakPolarHBondContact O-CB 3.3Å; I67-R71 PolarHBondContact O-N 2.87Å; I67-V84 HydrophobicContact CD1-CG1 4.15Å; I67-V84 HydrophobicContact CG1-CG2 4.36Å; I67-V84 HydrophobicContact CG2-CG2 4.24Å; I67-V93 HydrophobicContact CD1-CG1 3.99Å; I67-L95 HydrophobicContact CD1-CD2 4.21Å; I67-L95 HydrophobicContact CG1-CD2 3.71Å
68A89.9Confident90.2Very high56 Ų5658.1 Ų58.146%0.46330%0.302SS..Hα-helixtrans-62.1-43.2-175.900000112.5C64 R65C64-A68 VanDerWaalsContact O-CB 3.24Å; C64-A68 WeakPolarHBondContact O-CB 3.25Å; C64-A68 PolarHBondContact O-N 3.31Å; R65-A68 PolarHBondContact O-N 3.46Å
69L90.8Very high90.6Very high16 Ų1657.8 Ų57.88%0.08430%0.296CS..Hα-helixtrans-70.5-51.7178.6-69.6175.1000111.3R65 I67 R71 E72 L73 V147 A177 L179R65-L69 HydrophobicContact CG-CD1 4.01Å; R65-L69 HydrophobicContact CG-CG 4.44Å; R65-L69 WeakPolarHBondContact O-CB 3.34Å; R65-L69 WeakPolarHBondContact O-CG 3.31Å; R65-L69 PolarHBondContact O-N 3.14Å; I67-L69 PolarHBondContact O-N 3.17Å; L69-R71 PolarHBondContact O-N 3.41Å; L69-R71 VanDerWaalsContact O-N 3.15Å; L69-E72 PolarHBondContact O-N 2.9Å; L69-L73 HydrophobicContact CB-CD1 4.09Å; L69-L73 WeakPolarHBondContact O-CG 3.23Å; L69-L73 PolarHBondContact O-N 3.49Å; L69-V147 HydrophobicContact CD1-CG1 4.32Å; L69-V147 HydrophobicContact CD2-CG2 3.89Å; L69-A177 HydrophobicContact CD1-CB 3.68Å; L69-L179 HydrophobicContact CD2-CD2 3.95Å; L69-L179 HydrophobicContact CD2-CG 4.1Å
70L93.5Very high91.1Very high5 Ų555 Ų553%0.02629%0.286CS..Hα-helixtrans-67.3-17-176.5-67.4172000113.2E66 I79 L81 F97 M174E66-L70 HydrophobicContact CG-CD1 3.57Å; E66-L70 HydrophobicContact CG-CG 4.43Å; E66-L70 VanDerWaalsContact O-CB 3.24Å; E66-L70 WeakPolarHBondContact O-CB 3.11Å; E66-L70 VanDerWaalsContact O-CG 3.25Å; E66-L70 WeakPolarHBondContact O-CG 3.37Å; E66-L70 PolarHBondContact O-N 2.98Å; L70-I79 HydrophobicContact CD2-CG2 4Å; L70-L81 HydrophobicContact CB-CB 3.74Å; L70-L81 HydrophobicContact CB-CD2 4.06Å; L70-F97 HydrophobicContact CD1-CE1 3.95Å; L70-F97 HydrophobicContact CD1-CZ 4.08Å; L70-M174 HydrophobicContact CD2-CG 3.81Å; L70-M174 HydrophobicContact CG-CG 4.28Å
71R94Very high91.7Very high170 Ų17053.2 Ų53.264%0.64227%0.273SS*.Hα-helixtrans-71.1-32.3173-170.258.7173163.31.3112.9I67 L69I67-R71 WeakPolarHBondContact O-CB 3.3Å; I67-R71 PolarHBondContact O-N 2.87Å; L69-R71 PolarHBondContact O-N 3.41Å; L69-R71 VanDerWaalsContact O-N 3.15Å
72E94Very high92.6Very high151 Ų15150.3 Ų50.371%0.70626%0.257SS*.Hα-helixtrans-97.9-30.6-176.8-58.4-55.5127.400112.7L69 K74L69-E72 PolarHBondContact O-N 2.9Å; E72-K74 PolarHBondContact O-N 3.39Å
73L95.3Very high93.5Very high13 Ų1352.4 Ų52.47%0.06826%0.261CS..  trans-72.5128.3-177.2-66.9170.5000111.5L69 Y141 L142 N145 V147L69-L73 HydrophobicContact CB-CD1 4.09Å; L69-L73 WeakPolarHBondContact O-CG 3.23Å; L69-L73 PolarHBondContact O-N 3.49Å; L73-Y141 HydrophobicContact CB-CE1 4.25Å; L73-Y141 HydrophobicContact CD2-CD1 4.45Å; L73-Y141 HydrophobicContact CD2-CE1 3.64Å; L73-L142 HydrophobicContact CD1-CD2 3.68Å; L73-L142 HydrophobicContact CD2-CD2 3.89Å; L73-L142 HydrophobicContact CG-CD2 4.39Å; L73-N145 HydrophobicContact CD2-CB 4.36Å; L73-V147 HydrophobicContact CD2-CG2 4.26Å
74K97.6Very high94.1Very high180 Ų18055 Ų5578%0.78328%0.277SS*.  trans-143.1100.4178-172.5176.5-1791780110.9E72 Y141E72-K74 PolarHBondContact O-N 3.39Å; K74-Y141 PolarHBondContact N-OH 2.92Å; K74-Y141 PolarHBondContact O-OH 3.32Å
75H98.5Very high94.7Very high34 Ų3452.2 Ų52.216%0.15726%0.257CS..  trans-148.9143.7177.4-172.2-97000110.4N77 V78 D137 Y141H75-N77 PolarHBondContact ND1-N 2.82Å; H75-N77 PolarHBondContact O-N 2.91Å; H75-N77 VanDerWaalsContact O-N 3.12Å; H75-V78 HydrophobicContact CB-CB 4.19Å; H75-V78 HydrophobicContact CB-CG2 4Å; H75-V78 PolarHBondContact O-N 2.87Å; H75-V78 VanDerWaalsContact O-N 3.1Å; H75-V78 VanDerWaalsContact O-O 3.12Å; H75-D137 IonicContact CE1-OD1 3.96Å; H75-D137 IonicContact CE1-OD2 3.63Å; H75-D137 IonicContact NE2-OD1 3.89Å; H75-D137 IonicContact NE2-OD2 3.83Å; H75-Y141 HydrophobicContact CB-CD1 3.42Å; H75-Y141 VanDerWaalsContact CB-CD1 3.42Å; H75-Y141 HydrophobicContact CB-CD2 4.06Å; H75-Y141 HydrophobicContact CB-CE1 3.69Å; H75-Y141 HydrophobicContact CB-CE2 4.31Å; H75-Y141 HydrophobicContact CB-CG 3.62Å; H75-Y141 AromaticContact CD2-CD2 3.76Å; H75-Y141 AromaticContact CD2-CG 3.65Å; H75-Y141 AromaticContact CG-CD1 3.94Å; H75-Y141 AromaticContact CG-CG 3.67Å
76P98.5Very high95.4Very high66 Ų6653 Ų5343%0.42927%0.265SS..THydrogen-bonded Turntrans-54.4-33.5179.4-27.535.6000113.7R168 K170P76-R168 WeakPolarHBondContact O-CD 3.45Å; P76-K170 VanDerWaalsContact O-CD 3.31Å; P76-K170 WeakPolarHBondContact O-CD 3.49Å; P76-K170 WeakPolarHBondContact O-CE 3.36Å; P76-K170 PolarHBondContact O-NZ 3.5Å
77N98.8Very high95.8Very high7 Ų754 Ų544%0.03727%0.273CS..THydrogen-bonded Turntrans-98.113.7-178.8-57.6115.3000116.1H75 Q134 D137 V169 I171H75-N77 PolarHBondContact ND1-N 2.82Å; H75-N77 PolarHBondContact O-N 2.91Å; H75-N77 VanDerWaalsContact O-N 3.12Å; N77-Q134 WeakPolarHBondContact CB-O 3.34Å; N77-Q134 PolarHBondContact ND2-OE1 3.23Å; N77-D137 PolarHBondContact OD1-OD2 2.86Å; N77-V169 VanDerWaalsContact CA-O 3.24Å; N77-V169 WeakPolarHBondContact CA-O 3.41Å; N77-V169 PolarHBondContact ND2-O 2.89Å; N77-I171 WeakPolarHBondContact O-CG1 3.29Å; N77-I171 PolarHBondContact O-N 3.39Å
78V98.4Very high95.9Very high3 Ų358.2 Ų58.22%0.01829%0.291CS..BIsolated β-bridgetrans-118.9138.9170.71790000108.1H75 S80 Y141 L142 M174H75-V78 HydrophobicContact CB-CB 4.19Å; H75-V78 HydrophobicContact CB-CG2 4Å; H75-V78 PolarHBondContact O-N 2.87Å; H75-V78 VanDerWaalsContact O-N 3.1Å; H75-V78 VanDerWaalsContact O-O 3.12Å; V78-S80 PolarHBondContact O-N 3.25Å; V78-Y141 HydrophobicContact CG2-CD1 4.12Å; V78-L142 HydrophobicContact CG1-CD2 4.37Å; V78-L142 HydrophobicContact CG2-CD1 4.47Å; V78-L142 HydrophobicContact CG2-CD2 4.06Å; V78-L142 HydrophobicContact CG2-CG 4.12Å; V78-M174 HydrophobicContact CG1-CE 4.14Å
79I97.5Very high96Very high12 Ų1260.5 Ų60.56%0.06231%0.31CS..  trans-61.1135.8178.8-163.867.2000110.5L70 F97 L158 K170 I171 A172L70-I79 HydrophobicContact CD2-CG2 4Å; I79-F97 HydrophobicContact CD1-CB 4.32Å; I79-F97 HydrophobicContact CG1-CB 4.21Å; I79-F97 HydrophobicContact CG1-CD1 3.69Å; I79-F97 HydrophobicContact CG1-CE1 4.34Å; I79-F97 HydrophobicContact CG1-CG 4.11Å; I79-F97 HydrophobicContact CG2-CE1 4.44Å; I79-L158 HydrophobicContact CD1-CD1 4.37Å; I79-K170 HydrophobicContact CB-CB 4.45Å; I79-K170 HydrophobicContact CD1-CB 4.04Å; I79-K170 HydrophobicContact CD1-CG 4.24Å; I79-I171 PolarHBondContact N-O 2.87Å; I79-A172 HydrophobicContact CB-CB 4.27Å; I79-A172 HydrophobicContact CG2-CB 4.11Å
80S96.6Very high96.2Very high49 Ų4963.2 Ų63.234%0.34333%0.325SS..  trans-103.1120.7-174.7-177.10000111.1V78 Q82 F97V78-S80 PolarHBondContact O-N 3.25Å; S80-Q82 PolarHBondContact O-N 2.84Å; S80-F97 WeakPolarHBondContact O-CD1 3.19Å
81L97.4Very high96.2Very high11 Ų1170.7 Ų70.76%0.05835%0.353CS..  trans-72.5113.1174.4176.965000110.3L70 K83 V84 L95 F97L70-L81 HydrophobicContact CB-CB 3.74Å; L70-L81 HydrophobicContact CB-CD2 4.06Å; L81-K83 WeakPolarHBondContact CD1-O 3.49Å; L81-V84 HydrophobicContact CD1-CG2 4.19Å; L81-V84 HydrophobicContact CD2-CG2 3.77Å; L81-V84 HydrophobicContact CG-CG2 4.3Å; L81-L95 HydrophobicContact CD1-CB 3.82Å; L81-L95 HydrophobicContact CD1-CD2 4.01Å; L81-L95 HydrophobicContact CD1-CG 4.37Å; L81-F97 HydrophobicContact CB-CE1 4.02Å; L81-F97 HydrophobicContact CD1-CE1 3.88Å; L81-F97 HydrophobicContact CD1-CZ 4.04Å
82Q97Very high96.3Very high80 Ų8064.6 Ų64.637%0.37433%0.331SS..  trans-81.3-50-178.9-62.5-65.8-900111.4S80 L96 D98S80-Q82 PolarHBondContact O-N 2.84Å; Q82-L96 HydrophobicContact CB-CB 4.34Å; Q82-L96 HydrophobicContact CB-CD2 4.01Å; Q82-L96 HydrophobicContact CB-CG 4.09Å; Q82-L96 WeakPolarHBondContact CB-O 3.36Å; Q82-L96 PolarHBondContact N-O 3.5Å; Q82-D98 PolarHBondContact NE2-OD2 2.82Å
83K97.2Very high96.3Very high84 Ų8457.6 Ų57.637%0.36530%0.298SS..EExtended strand (participates in β ladder)trans-150.1158-179.6-78.5-168.2173.5-171.90111.7E14 L81 F85 L96E14-K83 IonicContact OE1-NZ 2.96Å; E14-K83 PolarHBondContact OE1-NZ 2.82Å; E14-K83 IonicContact OE2-NZ 2.7Å; E14-K83 PolarHBondContact OE2-NZ 3.01Å; L81-K83 WeakPolarHBondContact CD1-O 3.49Å; K83-F85 HydrophobicContact CB-CE2 4.12Å; K83-F85 HydrophobicContact CB-CZ 4.01Å; K83-F85 HydrophobicContact CD-CE1 4.24Å; K83-F85 HydrophobicContact CD-CZ 3.88Å; K83-L96 HydrophobicContact CB-CB 4.11Å; K83-L96 HydrophobicContact CB-CD2 4.05Å; K83-L96 HydrophobicContact CG-CD2 4.45Å; K83-L96 PolarHBondContact O-N 2.95Å
84V97.6Very high96.4Very high55 Ų5557.4 Ų57.433%0.33330%0.297SS..EExtended strand (participates in β ladder)trans-118.7128.7170.1-178.10000108.4I67 L81 L86 V93 W94 L95I67-V84 HydrophobicContact CD1-CG1 4.15Å; I67-V84 HydrophobicContact CG1-CG2 4.36Å; I67-V84 HydrophobicContact CG2-CG2 4.24Å; L81-V84 HydrophobicContact CD1-CG2 4.19Å; L81-V84 HydrophobicContact CD2-CG2 3.77Å; L81-V84 HydrophobicContact CG-CG2 4.3Å; V84-L86 HydrophobicContact CG1-CD2 4.08Å; V84-L86 HydrophobicContact CG1-CG 4.41Å; V84-V93 HydrophobicContact CG1-CG1 4.3Å; V84-W94 CarbonylContact C-O 3.53Å; V84-W94 WeakPolarHBondContact CA-O 3.49Å; V84-L95 HydrophobicContact CB-CD2 4.47Å; V84-L95 HydrophobicContact CG1-CD2 4.14Å; V84-L95 HydrophobicContact CG2-CD2 3.9Å
85F97.6Very high96.4Very high8 Ų848.8 Ų48.84%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-109.5130.7170.6-51.2-84.3000110E14 V16 L19 F20 L51 K83 W94 L96E14-F85 HydrophobicContact CB-CE1 4.23Å; V16-F85 HydrophobicContact CB-CB 4.28Å; V16-F85 HydrophobicContact CB-CD2 4.17Å; V16-F85 HydrophobicContact CB-CG 4.13Å; V16-F85 HydrophobicContact CG2-CD2 4.19Å; L19-F85 HydrophobicContact CD1-CE1 3.8Å; L19-F85 HydrophobicContact CD1-CZ 4.15Å; F20-F85 HydrophobicContact CD2-CZ 4.48Å; F20-F85 HydrophobicContact CE2-CE2 4.04Å; F20-F85 AromaticContact CE2-CZ 3.81Å; F20-F85 HydrophobicContact CE2-CZ 3.81Å; L51-F85 HydrophobicContact CD2-CE2 4.36Å; K83-F85 HydrophobicContact CB-CE2 4.12Å; K83-F85 HydrophobicContact CB-CZ 4.01Å; K83-F85 HydrophobicContact CD-CE1 4.24Å; K83-F85 HydrophobicContact CD-CZ 3.88Å; F85-W94 HydrophobicContact CB-CB 4.12Å; F85-W94 HydrophobicContact CD2-CB 4.29Å; F85-W94 PolarHBondContact N-O 3.13Å; F85-W94 PolarHBondContact O-N 2.77Å; F85-L96 HydrophobicContact CE2-CB 4.1Å; F85-L96 HydrophobicContact CE2-CD2 4.42Å
86L96.5Very high96.4Very high70 Ų7047.6 Ų47.637%0.36625%0.254SS..EExtended strand (participates in β ladder)trans-110.9103.7175.7-60179.2000108.1R13 V84 H88 V93R13-L86 PolarHBondContact NH1-O 3.17Å; R13-L86 VanDerWaalsContact NH1-O 3.13Å; V84-L86 HydrophobicContact CG1-CD2 4.08Å; V84-L86 HydrophobicContact CG1-CG 4.41Å; L86-H88 PolarHBondContact O-CD2 3.3Å; L86-H88 PolarHBondContact O-N 3.35Å; L86-V93 HydrophobicContact CD2-CB 4.42Å; L86-V93 HydrophobicContact CD2-CG1 4.06Å; L86-V93 HydrophobicContact CD2-CG2 3.89Å
87S95.1Very high96.3Very high27 Ų2745.1 Ų45.119%0.18924%0.236CC..  trans-80.4114.6173.9174.40000108.9D90 R91 K92S87-D90 WeakPolarHBondContact CB-OD1 3.36Å; S87-D90 PolarHBondContact OG-OD1 3.11Å; S87-R91 CarbonylContact O-C 3.58Å; S87-R91 WeakPolarHBondContact O-CA 3.28Å; S87-R91 PolarHBondContact O-N 3.16Å; S87-K92 PolarHBondContact N-O 3.18Å; S87-K92 PolarHBondContact O-N 2.91Å
88H92.9Very high96.3Very high126 Ų12646.5 Ų46.558%0.58324%0.244SC*.THydrogen-bonded Turntrans-78.8-27.2-175.6-83.7-136.6000113R13 L86R13-H88 VanDerWaalsContact CZ-CD2 3.46Å; R13-H88 VanDerWaalsContact CZ-NE2 3.28Å; R13-H88 PolarHBondContact NH1-CD2 2.89Å; R13-H88 PolarHBondContact NH1-NE2 3Å; R13-H88 PolarHBondContact NH2-CE1 3.13Å; R13-H88 PolarHBondContact NH2-NE2 3.37Å; L86-H88 PolarHBondContact O-CD2 3.3Å; L86-H88 PolarHBondContact O-N 3.35Å
89A92.3Very high96.3Very high103 Ų10347.2 Ų47.285%0.85125%0.246SC*.THydrogen-bonded Turntrans-70.4-48.4-174.500000112
90D93.4Very high96.3Very high74 Ų7447 Ų4740%0.39625%0.246SC..THydrogen-bonded Turntrans-103.6-0.2-179.965.2-3000113.1S87 K92S87-D90 WeakPolarHBondContact CB-OD1 3.36Å; S87-D90 PolarHBondContact OG-OD1 3.11Å; D90-K92 HydrophobicContact CB-CG 4.18Å; D90-K92 PolarHBondContact O-N 3.05Å; D90-K92 WeakPolarHBondContact OD1-CB 3.25Å; D90-K92 PolarHBondContact OD1-N 2.81Å; D90-K92 WeakPolarHBondContact OD2-CG 3.28Å
91R94.8Very high96.4Very high162 Ų16245.4 Ų45.461%0.61123%0.233SC*.  trans58.528.6-178.2-54.5177.865.1-170.8-0.5112.8G58 S87G58-R91 PolarHBondContact N-O 2.88Å; S87-R91 CarbonylContact O-C 3.58Å; S87-R91 WeakPolarHBondContact O-CA 3.28Å; S87-R91 PolarHBondContact O-N 3.16Å
92K94.6Very high96.4Very high41 Ų4145.4 Ų45.418%0.17823%0.233CC..  trans-83.6147.2176.7-67.6-68.2-173.8170.80112.1Q53 G56 S87 D90Q53-K92 HydrophobicContact CG-CD 4.29Å; G56-K92 WeakPolarHBondContact O-CD 3.14Å; G56-K92 WeakPolarHBondContact O-CE 3.37Å; G56-K92 PolarHBondContact O-NZ 3.2Å; S87-K92 PolarHBondContact N-O 3.18Å; S87-K92 PolarHBondContact O-N 2.91Å; D90-K92 HydrophobicContact CB-CG 4.18Å; D90-K92 PolarHBondContact O-N 3.05Å; D90-K92 WeakPolarHBondContact OD1-CB 3.25Å; D90-K92 PolarHBondContact OD1-N 2.81Å; D90-K92 WeakPolarHBondContact OD2-CG 3.28Å
93V95.6Very high96.5Very high4 Ų441.9 Ų41.92%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-112.6129.6176.2-178.40000108.5I54 G58 I59 I67 V84 L86 L95I54-V93 HydrophobicContact CB-CB 4.37Å; I54-V93 HydrophobicContact CD1-CB 4.04Å; I54-V93 HydrophobicContact CD1-CG1 3.65Å; I54-V93 HydrophobicContact CG1-CB 4.32Å; I54-V93 HydrophobicContact CG1-CG1 4.29Å; I54-V93 PolarHBondContact N-O 2.73Å; G58-V93 WeakPolarHBondContact O-CG2 3.43Å; I59-V93 HydrophobicContact CG1-CG2 4.36Å; I67-V93 HydrophobicContact CD1-CG1 3.99Å; V84-V93 HydrophobicContact CG1-CG1 4.3Å; L86-V93 HydrophobicContact CD2-CB 4.42Å; L86-V93 HydrophobicContact CD2-CG1 4.06Å; L86-V93 HydrophobicContact CD2-CG2 3.89Å; V93-L95 HydrophobicContact CG1-CD2 4.33Å
94W96.9Very high96.5Very high9 Ų937.9 Ų37.93%0.03420%0.199CC..EExtended strand (participates in β ladder)trans-122.1136.4178.5-6183000110.8V16 Y22 Y36 L51 K52 Q53 V84 F85V16-W94 HydrophobicContact CG1-CD2 4.15Å; V16-W94 HydrophobicContact CG1-CG 4.15Å; V16-W94 HydrophobicContact CG1-CZ2 4.45Å; V16-W94 HydrophobicContact CG2-CD2 4.38Å; V16-W94 HydrophobicContact CG2-CE3 4.46Å; V16-W94 HydrophobicContact CG2-CG 4.47Å; Y22-W94 AromaticContact CE2-CH2 3.83Å; Y22-W94 HydrophobicContact CE2-CH2 3.83Å; Y22-W94 HydrophobicContact CE2-CZ3 4.35Å; Y36-W94 HydrophobicContact CD2-CH2 4.37Å; Y36-W94 AromaticContact CD2-CZ3 3.82Å; Y36-W94 HydrophobicContact CD2-CZ3 3.82Å; Y36-W94 AromaticContact CE2-CH2 3.98Å; Y36-W94 HydrophobicContact CE2-CH2 3.98Å; Y36-W94 AromaticContact CE2-CZ3 3.82Å; Y36-W94 HydrophobicContact CE2-CZ3 3.82Å; L51-W94 HydrophobicContact CB-CE3 4.21Å; L51-W94 HydrophobicContact CB-CZ3 4.36Å; K52-W94 CarbonylContact O-C 3.28Å; K52-W94 VanDerWaalsContact O-CA 3.31Å; K52-W94 WeakPolarHBondContact O-CA 3.33Å; Q53-W94 HydrophobicContact CB-CD2 3.93Å; Q53-W94 HydrophobicContact CB-CE3 3.64Å; Q53-W94 HydrophobicContact CB-CH2 3.79Å; Q53-W94 HydrophobicContact CB-CZ2 4.07Å; Q53-W94 HydrophobicContact CB-CZ3 3.57Å; Q53-W94 HydrophobicContact CG-CD2 3.99Å; Q53-W94 HydrophobicContact CG-CE3 4.21Å; Q53-W94 HydrophobicContact CG-CH2 4.03Å; Q53-W94 HydrophobicContact CG-CZ2 3.8Å; Q53-W94 HydrophobicContact CG-CZ3 4.23Å; V84-W94 CarbonylContact C-O 3.53Å; V84-W94 WeakPolarHBondContact CA-O 3.49Å; F85-W94 HydrophobicContact CB-CB 4.12Å; F85-W94 HydrophobicContact CD2-CB 4.29Å; F85-W94 PolarHBondContact N-O 3.13Å; F85-W94 PolarHBondContact O-N 2.77Å
95L96.8Very high96.4Very high0 Ų040.5 Ų40.50%020%0.203CC..EExtended strand (participates in β ladder)trans-114.6132176.2-52.1-177.4000109.3L51 K52 I54 E66 I67 L81 V84 V93 F97L51-L95 WeakPolarHBondContact CA-O 3.16Å; K52-L95 HydrophobicContact CB-CB 4.36Å; K52-L95 PolarHBondContact N-O 2.91Å; K52-L95 PolarHBondContact O-N 2.86Å; I54-L95 HydrophobicContact CD1-CD1 4Å; I54-L95 HydrophobicContact CD1-CD2 4.37Å; I54-L95 HydrophobicContact CD1-CG 4.08Å; I54-L95 HydrophobicContact CG1-CD1 4.38Å; I54-L95 HydrophobicContact CG1-CG 4.33Å; E66-L95 HydrophobicContact CG-CD1 3.99Å; I67-L95 HydrophobicContact CD1-CD2 4.21Å; I67-L95 HydrophobicContact CG1-CD2 3.71Å; L81-L95 HydrophobicContact CD1-CB 3.82Å; L81-L95 HydrophobicContact CD1-CD2 4.01Å; L81-L95 HydrophobicContact CD1-CG 4.37Å; V84-L95 HydrophobicContact CB-CD2 4.47Å; V84-L95 HydrophobicContact CG1-CD2 4.14Å; V84-L95 HydrophobicContact CG2-CD2 3.9Å; V93-L95 HydrophobicContact CG1-CD2 4.33Å; L95-F97 HydrophobicContact CB-CD2 4.41Å; L95-F97 HydrophobicContact CB-CE2 3.44Å; L95-F97 VanDerWaalsContact CB-CE2 3.44Å; L95-F97 HydrophobicContact CB-CZ 3.57Å; L95-F97 HydrophobicContact CD1-CE2 4.36Å; L95-F97 HydrophobicContact CD1-CZ 3.93Å; L95-F97 HydrophobicContact CG-CZ 4.41Å
96L98Very high96.3Very high8 Ų844.2 Ų44.24%0.04222%0.22CC..EExtended strand (participates in β ladder)trans-103.1132.5178.6-176.972.5000110.6F20 Y49 L51 Q82 K83 F85F20-L96 HydrophobicContact CD1-CD1 4.48Å; F20-L96 HydrophobicContact CE1-CD1 3.82Å; F20-L96 HydrophobicContact CE1-CD2 4.41Å; F20-L96 HydrophobicContact CE2-CD1 4.08Å; F20-L96 HydrophobicContact CE2-CD2 4.08Å; F20-L96 HydrophobicContact CZ-CD1 3.61Å; F20-L96 HydrophobicContact CZ-CD2 3.55Å; F20-L96 HydrophobicContact CZ-CG 4.25Å; Y49-L96 HydrophobicContact CD1-CD1 3.89Å; Y49-L96 HydrophobicContact CD1-CD2 4.34Å; Y49-L96 HydrophobicContact CD1-CG 4.14Å; Y49-L96 HydrophobicContact CG-CD1 4Å; L51-L96 HydrophobicContact CD2-CB 4.28Å; L51-L96 HydrophobicContact CD2-CD1 3.69Å; L51-L96 HydrophobicContact CG-CD1 4.09Å; Q82-L96 HydrophobicContact CB-CB 4.34Å; Q82-L96 HydrophobicContact CB-CD2 4.01Å; Q82-L96 HydrophobicContact CB-CG 4.09Å; Q82-L96 WeakPolarHBondContact CB-O 3.36Å; Q82-L96 PolarHBondContact N-O 3.5Å; K83-L96 HydrophobicContact CB-CB 4.11Å; K83-L96 HydrophobicContact CB-CD2 4.05Å; K83-L96 HydrophobicContact CG-CD2 4.45Å; K83-L96 PolarHBondContact O-N 2.95Å; F85-L96 HydrophobicContact CE2-CB 4.1Å; F85-L96 HydrophobicContact CE2-CD2 4.42Å
97F98Very high96.4Very high15 Ų1540.9 Ų40.97%0.06620%0.203CC..EExtended strand (participates in β ladder)trans-135.5162.6176.7-51.1-82.5000110.8Y49 A50 K52 L70 I79 S80 L81 L95Y49-F97 WeakPolarHBondContact CA-O 3.46Å; A50-F97 HydrophobicContact CB-CB 4.29Å; A50-F97 PolarHBondContact N-O 3.09Å; A50-F97 PolarHBondContact O-N 2.62Å; K52-F97 HydrophobicContact CB-CE2 4.02Å; L70-F97 HydrophobicContact CD1-CE1 3.95Å; L70-F97 HydrophobicContact CD1-CZ 4.08Å; I79-F97 HydrophobicContact CD1-CB 4.32Å; I79-F97 HydrophobicContact CG1-CB 4.21Å; I79-F97 HydrophobicContact CG1-CD1 3.69Å; I79-F97 HydrophobicContact CG1-CE1 4.34Å; I79-F97 HydrophobicContact CG1-CG 4.11Å; I79-F97 HydrophobicContact CG2-CE1 4.44Å; S80-F97 WeakPolarHBondContact O-CD1 3.19Å; L81-F97 HydrophobicContact CB-CE1 4.02Å; L81-F97 HydrophobicContact CD1-CE1 3.88Å; L81-F97 HydrophobicContact CD1-CZ 4.04Å; L95-F97 HydrophobicContact CB-CD2 4.41Å; L95-F97 HydrophobicContact CB-CE2 3.44Å; L95-F97 VanDerWaalsContact CB-CE2 3.44Å; L95-F97 HydrophobicContact CB-CZ 3.57Å; L95-F97 HydrophobicContact CD1-CE2 4.36Å; L95-F97 HydrophobicContact CD1-CZ 3.93Å; L95-F97 HydrophobicContact CG-CZ 4.41Å
98D98Very high96.4Very high35 Ų3539.7 Ų39.719%0.18719%0.194CC..EExtended strand (participates in β ladder)trans-66140.8162.3-62-53.6000109.6Q82 M160Q82-D98 PolarHBondContact NE2-OD2 2.82Å; D98-M160 HydrophobicContact CB-CE 4.2Å
99Y98.3Very high96.5Very high19 Ų1939.1 Ų39.18%0.07519%0.19CC..  trans-78.9126.9-175.2-175.4-103.1000112.5V27 K37 D48 A50 E101 R356V27-Y99 HydrophobicContact CG2-CE2 4.29Å; K37-Y99 HydrophobicContact CB-CD2 4.26Å; K37-Y99 HydrophobicContact CB-CE2 3.77Å; K37-Y99 HydrophobicContact CD-CD1 4.46Å; K37-Y99 HydrophobicContact CD-CE1 3.92Å; K37-Y99 HydrophobicContact CD-CE2 4.09Å; K37-Y99 HydrophobicContact CG-CD2 4.02Å; K37-Y99 HydrophobicContact CG-CE1 4.34Å; K37-Y99 HydrophobicContact CG-CE2 3.79Å; K37-Y99 HydrophobicContact CG-CG 4.41Å; D48-Y99 VanDerWaalsContact C-CB 3.41Å; D48-Y99 HydrophobicContact CB-CD1 3.88Å; D48-Y99 HydrophobicContact CB-CG 3.96Å; D48-Y99 WeakPolarHBondContact O-CB 3.45Å; D48-Y99 PolarHBondContact O-N 3.14Å; D48-Y99 VanDerWaalsContact O-N 3.15Å; A50-Y99 HydrophobicContact CB-CD2 4.1Å; Y99-E101 HydrophobicContact CE1-CB 4.14Å; Y99-E101 HydrophobicContact CE1-CG 4.48Å; Y99-E101 WeakPolarHBondContact CE1-OE2 3.5Å; Y99-E101 PolarHBondContact OH-OE1 3.45Å; Y99-R356 WeakPolarHBondContact OH-CD 3.31Å
100A98.3Very high96.5Very high6 Ų637.2 Ų37.25%0.0516%0.163CC..  trans-101.4111.2170.800000110.6H102 L158 M160 R356A100-H102 PolarHBondContact O-N 2.88Å; A100-L158 HydrophobicContact CB-CB 3.64Å; A100-L158 HydrophobicContact CB-CD1 3.97Å; A100-L158 HydrophobicContact CB-CG 4.37Å; A100-M160 HydrophobicContact CB-SD 3.91Å; A100-R356 PolarHBondContact O-NE 3.21Å
101E97.9Very high96.5Very high17 Ų1733.8 Ų33.88%0.07914%0.144CC..  trans-65-27-177.4-166.767.2-106.200112.6K37 Y99 K355 R356K37-E101 IonicContact NZ-OE2 2.68Å; K37-E101 PolarHBondContact NZ-OE2 3.19Å; Y99-E101 HydrophobicContact CE1-CB 4.14Å; Y99-E101 HydrophobicContact CE1-CG 4.48Å; Y99-E101 WeakPolarHBondContact CE1-OE2 3.5Å; Y99-E101 PolarHBondContact OH-OE1 3.45Å; E101-K355 HydrophobicContact CG-CB 4.37Å; E101-K355 HydrophobicContact CG-CG 4.01Å; E101-K355 WeakPolarHBondContact OE1-CA 3.37Å; E101-K355 VanDerWaalsContact OE1-CB 3.3Å; E101-K355 WeakPolarHBondContact OE1-CB 3.5Å; E101-R356 WeakPolarHBondContact O-CG 3.44Å; E101-R356 PolarHBondContact O-NE 2.97Å; E101-R356 PolarHBondContact OE1-N 2.85Å; E101-R356 VanDerWaalsContact OE1-N 3.11Å
102H98.2Very high96.3Very high11 Ų1130.2 Ų30.25%0.05113%0.131CC..EExtended strand (participates in β ladder)trans-124.8162.7-174.6-50-59000112.3A100 I107 L158 V159 R356A100-H102 PolarHBondContact O-N 2.88Å; H102-I107 HydrophobicContact CB-CD1 4.09Å; H102-I107 HydrophobicContact CB-CG1 4.45Å; H102-L158 WeakPolarHBondContact O-CA 3.44Å; H102-V159 HydrophobicContact CB-CB 4.17Å; H102-V159 PolarHBondContact N-O 2.73Å; H102-V159 VanDerWaalsContact N-O 3.11Å; H102-V159 PolarHBondContact O-N 2.89Å; H102-R356 PolarHBondContact O-NH2 3.4Å
103D97.8Very high96Very high6 Ų630.6 Ų30.63%0.03214%0.142CC..EExtended strand (participates in β ladder)trans-144.1165.3165.16059.5000109.4W105 H106 I107 I157 L158 R356D103-W105 VanDerWaalsContact C-N 3.25Å; D103-W105 PolarHBondContact O-N 2.82Å; D103-W105 WeakPolarHBondContact OD1-CA 3.37Å; D103-W105 VanDerWaalsContact OD1-CB 3.28Å; D103-W105 WeakPolarHBondContact OD1-CB 3.24Å; D103-W105 PolarHBondContact OD1-N 3.3Å; D103-H106 VanDerWaalsContact CG-ND1 3.25Å; D103-H106 PolarHBondContact O-N 2.89Å; D103-H106 IonicContact OD1-CG 2.77Å; D103-H106 PolarHBondContact OD1-N 3.01Å; D103-H106 IonicContact OD1-ND1 3.98Å; D103-H106 PolarHBondContact OD1-ND1 2.67Å; D103-H106 IonicContact OD2-CE1 2.99Å; D103-H106 IonicContact OD2-ND1 3.03Å; D103-H106 PolarHBondContact OD2-ND1 3.27Å; D103-I107 VanDerWaalsContact O-CG1 3.32Å; D103-I107 WeakPolarHBondContact O-CG1 3.31Å; D103-I107 PolarHBondContact O-N 2.82Å; D103-I107 VanDerWaalsContact O-N 3.1Å; D103-I157 CarbonylContact C-O 3.27Å; D103-I157 VanDerWaalsContact CA-O 3.28Å; D103-I157 WeakPolarHBondContact CA-O 3.43Å; D103-I157 WeakPolarHBondContact CB-O 3.44Å; D103-L158 HydrophobicContact CB-CD2 3.92Å; D103-R356 IonicContact OD2-CZ 2.96Å; D103-R356 IonicContact OD2-NH1 3.63Å; D103-R356 PolarHBondContact OD2-NH1 3.01Å; D103-R356 IonicContact OD2-NH2 2.76Å; D103-R356 PolarHBondContact OD2-NH2 2.85Å
104L98.2Very high95.4Very high0 Ų031.5 Ų31.50%015%0.148CC..Hα-helixtrans-65.1-29.6-178.8-69.3-168.9000113.1I107 I108 L131 I135 P154 I157 V159 I223 L227L104-I107 HydrophobicContact CD2-CD1 4.3Å; L104-I107 PolarHBondContact O-N 3.02Å; L104-I108 HydrophobicContact CB-CD1 4.15Å; L104-I108 VanDerWaalsContact O-CB 3.22Å; L104-I108 WeakPolarHBondContact O-CB 3.06Å; L104-I108 VanDerWaalsContact O-CD1 3.28Å; L104-I108 WeakPolarHBondContact O-CD1 3.14Å; L104-I108 WeakPolarHBondContact O-CG1 3.47Å; L104-I108 PolarHBondContact O-N 3.03Å; L104-L131 HydrophobicContact CD2-CD1 3.72Å; L104-L131 HydrophobicContact CD2-CD2 3.76Å; L104-L131 HydrophobicContact CD2-CG 4.33Å; L104-I135 HydrophobicContact CD1-CD1 3.94Å; L104-P154 HydrophobicContact CB-CB 3.8Å; L104-P154 WeakPolarHBondContact CB-O 3.49Å; L104-P154 PolarHBondContact N-O 3.16Å; L104-I157 HydrophobicContact CB-CB 4.34Å; L104-I157 HydrophobicContact CD1-CB 3.75Å; L104-I157 HydrophobicContact CD1-CG1 4.17Å; L104-I157 HydrophobicContact CD1-CG2 3.57Å; L104-I157 HydrophobicContact CG-CB 3.81Å; L104-I157 HydrophobicContact CG-CG2 3.71Å; L104-I157 PolarHBondContact N-O 3.33Å; L104-V159 HydrophobicContact CD2-CG2 4.25Å; L104-I223 HydrophobicContact CD1-CG2 3.73Å; L104-L227 HydrophobicContact CD1-CD1 4.27Å; L104-L227 HydrophobicContact CD1-CD2 4.22Å; L104-L227 HydrophobicContact CD2-CD2 4.06Å
105W95.6Very high94.6Very high110 Ų11035.6 Ų35.642%0.41717%0.166SC..Hα-helixtrans-61.9-48.6178.5-176.891.6000111.2D103 K109 P154 A155D103-W105 VanDerWaalsContact C-N 3.25Å; D103-W105 PolarHBondContact O-N 2.82Å; D103-W105 WeakPolarHBondContact OD1-CA 3.37Å; D103-W105 VanDerWaalsContact OD1-CB 3.28Å; D103-W105 WeakPolarHBondContact OD1-CB 3.24Å; D103-W105 PolarHBondContact OD1-N 3.3Å; W105-K109 HydrophobicContact CE3-CD 4.39Å; W105-K109 HydrophobicContact CH2-CD 3.7Å; W105-K109 HydrophobicContact CZ2-CD 4.18Å; W105-K109 HydrophobicContact CZ3-CD 3.79Å; W105-K109 VanDerWaalsContact O-CB 3.23Å; W105-K109 WeakPolarHBondContact O-CB 3.4Å; W105-K109 PolarHBondContact O-N 3.33Å; W105-P154 HydrophobicContact CB-CB 4.04Å; W105-P154 PolarHBondContact N-O 3.03Å; W105-A155 HydrophobicContact CB-CB 4.22Å
106H96Very high93.8Very high85 Ų8539.4 Ų39.439%0.39420%0.197SC..Hα-helixtrans-67.3-41.6177.6-71.590.9000112.1D103 K109 F110D103-H106 VanDerWaalsContact CG-ND1 3.25Å; D103-H106 PolarHBondContact O-N 2.89Å; D103-H106 IonicContact OD1-CG 2.77Å; D103-H106 PolarHBondContact OD1-N 3.01Å; D103-H106 IonicContact OD1-ND1 3.98Å; D103-H106 PolarHBondContact OD1-ND1 2.67Å; D103-H106 IonicContact OD2-CE1 2.99Å; D103-H106 IonicContact OD2-ND1 3.03Å; D103-H106 PolarHBondContact OD2-ND1 3.27Å; H106-K109 PolarHBondContact O-N 3.23Å; H106-F110 WeakPolarHBondContact O-CB 3.22Å; H106-F110 PolarHBondContact O-N 3.42Å
107I97.1Very high92.9Very high1 Ų144.9 Ų44.91%0.00523%0.227CC..Hα-helixtrans-60.6-50.2176.6-70.7167.9000110.3H102 D103 L104 K109 F110 H111 L123 M127 V159 Y353H102-I107 HydrophobicContact CB-CD1 4.09Å; H102-I107 HydrophobicContact CB-CG1 4.45Å; D103-I107 VanDerWaalsContact O-CG1 3.32Å; D103-I107 WeakPolarHBondContact O-CG1 3.31Å; D103-I107 PolarHBondContact O-N 2.82Å; D103-I107 VanDerWaalsContact O-N 3.1Å; L104-I107 HydrophobicContact CD2-CD1 4.3Å; L104-I107 PolarHBondContact O-N 3.02Å; I107-K109 VanDerWaalsContact C-N 3.35Å; I107-K109 PolarHBondContact O-N 3.07Å; I107-F110 WeakPolarHBondContact O-CB 3.44Å; I107-F110 PolarHBondContact O-N 2.87Å; I107-H111 PolarHBondContact O-CD2 3.1Å; I107-H111 VanDerWaalsContact O-CD2 3.22Å; I107-H111 PolarHBondContact O-N 3.47Å; I107-L123 HydrophobicContact CG2-CD2 4.11Å; I107-M127 HydrophobicContact CD1-CE 4.09Å; I107-M127 HydrophobicContact CG2-CE 3.94Å; I107-V159 HydrophobicContact CD1-CB 4.39Å; I107-V159 HydrophobicContact CD1-CG2 4.09Å; I107-Y353 HydrophobicContact CB-CE1 4.33Å; I107-Y353 HydrophobicContact CD1-CD2 4.38Å; I107-Y353 HydrophobicContact CD1-CE2 4.38Å; I107-Y353 HydrophobicContact CG1-CD1 4.12Å; I107-Y353 HydrophobicContact CG1-CD2 3.97Å; I107-Y353 HydrophobicContact CG1-CE1 4.23Å; I107-Y353 HydrophobicContact CG1-CE2 4.13Å; I107-Y353 HydrophobicContact CG1-CG 3.99Å; I107-Y353 HydrophobicContact CG2-CD1 4.5Å; I107-Y353 HydrophobicContact CG2-CE1 3.85Å; I107-Y353 HydrophobicContact CG2-CE2 4.42Å
108I95.9Very high91.8Very high1 Ų153.2 Ų53.21%0.00526%0.263CS..Hα-helixtrans-62.6-42.9178.8-70.3159.8000110.5L104 F110 H111 R112 P154 E226 L227L104-I108 HydrophobicContact CB-CD1 4.15Å; L104-I108 VanDerWaalsContact O-CB 3.22Å; L104-I108 WeakPolarHBondContact O-CB 3.06Å; L104-I108 VanDerWaalsContact O-CD1 3.28Å; L104-I108 WeakPolarHBondContact O-CD1 3.14Å; L104-I108 WeakPolarHBondContact O-CG1 3.47Å; L104-I108 PolarHBondContact O-N 3.03Å; I108-F110 VanDerWaalsContact C-N 3.33Å; I108-F110 PolarHBondContact O-N 3.41Å; I108-H111 PolarHBondContact O-N 3.46Å; I108-R112 WeakPolarHBondContact O-CB 3.47Å; I108-R112 PolarHBondContact O-N 3.12Å; I108-P154 HydrophobicContact CD1-CB 4.08Å; I108-P154 HydrophobicContact CD1-CG 4.11Å; I108-E226 HydrophobicContact CD1-CG 3.88Å; I108-E226 HydrophobicContact CG1-CG 4.49Å; I108-E226 HydrophobicContact CG2-CG 3.86Å; I108-L227 HydrophobicContact CD1-CD2 4.05Å; I108-L227 HydrophobicContact CG1-CD2 4.05Å
109K94.1Very high90.5Very high114 Ų11459.5 Ų59.550%0.49629%0.289SS..Hα-helixtrans-59.4-42.5177.3-175.4177.7178-177.80111.7W105 H106 I107 H111 R112 A113W105-K109 HydrophobicContact CE3-CD 4.39Å; W105-K109 HydrophobicContact CH2-CD 3.7Å; W105-K109 HydrophobicContact CZ2-CD 4.18Å; W105-K109 HydrophobicContact CZ3-CD 3.79Å; W105-K109 VanDerWaalsContact O-CB 3.23Å; W105-K109 WeakPolarHBondContact O-CB 3.4Å; W105-K109 PolarHBondContact O-N 3.33Å; H106-K109 PolarHBondContact O-N 3.23Å; I107-K109 VanDerWaalsContact C-N 3.35Å; I107-K109 PolarHBondContact O-N 3.07Å; K109-H111 PolarHBondContact O-N 3.26Å; K109-R112 PolarHBondContact O-N 2.87Å; K109-A113 WeakPolarHBondContact O-CB 3.45Å; K109-A113 PolarHBondContact O-N 2.7Å
110F93.8Very high89Confident63 Ų6363.7 Ų63.728%0.27632%0.318SS..Hα-helixtrans-59.1-45176.2176.7-93000112.2H106 I107 I108 S114 L121 P352 Y353H106-F110 WeakPolarHBondContact O-CB 3.22Å; H106-F110 PolarHBondContact O-N 3.42Å; I107-F110 WeakPolarHBondContact O-CB 3.44Å; I107-F110 PolarHBondContact O-N 2.87Å; I108-F110 VanDerWaalsContact C-N 3.33Å; I108-F110 PolarHBondContact O-N 3.41Å; F110-S114 PolarHBondContact O-N 3.42Å; F110-S114 VanDerWaalsContact O-N 3.14Å; F110-S114 PolarHBondContact O-OG 3.44Å; F110-L121 HydrophobicContact CE1-CD2 3.98Å; F110-P352 HydrophobicContact CE1-CB 4.45Å; F110-P352 HydrophobicContact CE1-CG 4.46Å; F110-P352 HydrophobicContact CZ-CB 4.35Å; F110-Y353 HydrophobicContact CB-CD1 4.22Å; F110-Y353 AromaticContact CD1-CD1 3.75Å; F110-Y353 HydrophobicContact CD1-CD1 3.75Å; F110-Y353 AromaticContact CD1-CE1 3.73Å; F110-Y353 HydrophobicContact CD1-CE1 3.73Å; F110-Y353 HydrophobicContact CE1-CD1 4.27Å; F110-Y353 HydrophobicContact CE1-CE1 4.24Å; F110-Y353 AromaticContact CG-CD1 3.98Å; F110-Y353 HydrophobicContact CG-CD1 3.98Å; F110-Y353 HydrophobicContact CG-CE1 4.37Å
111H91.8Very high87.9Confident2 Ų267.5 Ų67.51%0.00934%0.337CS..Hα-helixtrans-71.6-38.1178-75.5-80.7000112.5I107 I108 K109 S114 K115 L121 L123 Y353I107-H111 PolarHBondContact O-CD2 3.1Å; I107-H111 VanDerWaalsContact O-CD2 3.22Å; I107-H111 PolarHBondContact O-N 3.47Å; I108-H111 PolarHBondContact O-N 3.46Å; K109-H111 PolarHBondContact O-N 3.26Å; H111-S114 PolarHBondContact O-N 3.12Å; H111-K115 PolarHBondContact O-N 2.95Å; H111-L121 PolarHBondContact ND1-O 2.88Å; H111-L123 HydrophobicContact CB-CD1 3.53Å; H111-L123 WeakPolarHBondContact CD2-CD1 2.9Å; H111-Y353 AromaticContact CD2-CE1 3.81Å; H111-Y353 AromaticContact NE2-CE1 3.4Å; H111-Y353 WeakPolarHBondContact NE2-CE1 3.49Å; H111-Y353 AromaticContact NE2-CZ 3.63Å; H111-Y353 PolarHBondContact NE2-OH 3.03Å
112R90.8Very high86.9Confident88 Ų8871.8 Ų71.833%0.33236%0.357SS..Hα-helixtrans-60.9-46.4174.4-174.3-177.1-62.6167.410.8111.9I108 K109 S114 K115 A116 E226 S230 P232I108-R112 WeakPolarHBondContact O-CB 3.47Å; I108-R112 PolarHBondContact O-N 3.12Å; K109-R112 PolarHBondContact O-N 2.87Å; R112-S114 VanDerWaalsContact C-N 3.34Å; R112-S114 PolarHBondContact O-N 2.96Å; R112-K115 WeakPolarHBondContact O-CB 3.37Å; R112-K115 PolarHBondContact O-N 3.42Å; R112-A116 PolarHBondContact O-N 2.76Å; R112-A116 VanDerWaalsContact O-N 3.11Å; R112-E226 IonicContact CZ-OE1 3.26Å; R112-E226 IonicContact NH2-OE1 3.76Å; R112-E226 PolarHBondContact NH2-OE1 3.06Å; R112-S230 VanDerWaalsContact CZ-O 3.29Å; R112-S230 PolarHBondContact NE-O 3.01Å; R112-S230 PolarHBondContact NH2-O 3.38Å; R112-P232 VanDerWaalsContact NH2-CD 3.31Å
113A88.9Confident86.4Confident49 Ų4971.9 Ų71.941%0.40536%0.358SS..Hα-helixtrans-62.3-41176.600000111.9K109 K115 A116 N117K109-A113 WeakPolarHBondContact O-CB 3.45Å; K109-A113 PolarHBondContact O-N 2.7Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 3.18Å; A113-A116 WeakPolarHBondContact O-CB 3.07Å; A113-A116 PolarHBondContact O-N 3.46Å; A113-N117 PolarHBondContact O-N 2.68Å; A113-N117 PolarHBondContact O-ND2 2.83Å
114S83.3Confident86.1Confident23 Ų2375.1 Ų75.116%0.16138%0.379CS..Hα-helixtrans-61.1-41.8176.9-58.40000112.3F110 H111 R112 N117 K119F110-S114 PolarHBondContact O-N 3.42Å; F110-S114 VanDerWaalsContact O-N 3.14Å; F110-S114 PolarHBondContact O-OG 3.44Å; H111-S114 PolarHBondContact O-N 3.12Å; R112-S114 VanDerWaalsContact C-N 3.34Å; R112-S114 PolarHBondContact O-N 2.96Å; S114-N117 PolarHBondContact O-N 3Å; S114-K119 CarbonylContact C-O 3.53Å; S114-K119 CarbonylContact O-C 3.39Å; S114-K119 PolarHBondContact O-N 2.95Å; S114-K119 VanDerWaalsContact O-N 3.15Å; S114-K119 VanDerWaalsContact O-O 3.04Å
115K79.4Confident85.9Confident95 Ų9584.1 Ų84.141%0.41341%0.413SS..Hα-helixtrans-61.2-43.2174.1-174-175.1178.2-172.40111.8H111 R112 A113 N117 K118 E231H111-K115 PolarHBondContact O-N 2.95Å; R112-K115 WeakPolarHBondContact O-CB 3.37Å; R112-K115 PolarHBondContact O-N 3.42Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 3.18Å; K115-N117 VanDerWaalsContact C-N 3.3Å; K115-N117 PolarHBondContact O-N 3.23Å; K115-K118 PolarHBondContact O-N 2.96Å; K115-E231 IonicContact NZ-OE1 2.72Å; K115-E231 PolarHBondContact NZ-OE1 3.13Å
116A79.6Confident86Confident79 Ų7979.8 Ų79.865%0.65340%0.403SS*.Hα-helixtrans-63.3-36.2177.500000112.3R112 A113 K118R112-A116 PolarHBondContact O-N 2.76Å; R112-A116 VanDerWaalsContact O-N 3.11Å; A113-A116 WeakPolarHBondContact O-CB 3.07Å; A113-A116 PolarHBondContact O-N 3.46Å; A116-K118 PolarHBondContact O-N 3.44Å; A116-K118 VanDerWaalsContact O-N 3.16Å
117N80.3Confident86.1Confident123 Ų12376.2 Ų76.266%0.65839%0.387SS*.THydrogen-bonded Turntrans-80.317.6177.7-68.7-23000114.3A113 S114 K115 K119A113-N117 PolarHBondContact O-N 2.68Å; A113-N117 PolarHBondContact O-ND2 2.83Å; S114-N117 PolarHBondContact O-N 3Å; K115-N117 VanDerWaalsContact C-N 3.3Å; K115-N117 PolarHBondContact O-N 3.23Å; N117-K119 PolarHBondContact O-N 2.93Å
118K73.7Confident86.2Confident191 Ų19176.3 Ų76.383%0.8339%0.388SS*.THydrogen-bonded Turntrans5522.3-179.4-57.6-178.3-179177.20114.6K115 A116 P120K115-K118 PolarHBondContact O-N 2.96Å; A116-K118 PolarHBondContact O-N 3.44Å; A116-K118 VanDerWaalsContact O-N 3.16Å; K118-P120 VanDerWaalsContact C-CD 3.48Å; K118-P120 VanDerWaalsContact O-CD 3.29Å; K118-P120 WeakPolarHBondContact O-CD 3.48Å
119K72.1Confident86.3Confident167 Ų16776.5 Ų76.573%0.72639%0.388SS*.  trans-113.375.4169.5-68.6-175.4-179.4-178.70108.2S114 N117 L121S114-K119 CarbonylContact C-O 3.53Å; S114-K119 CarbonylContact O-C 3.39Å; S114-K119 PolarHBondContact O-N 2.95Å; S114-K119 VanDerWaalsContact O-N 3.15Å; S114-K119 VanDerWaalsContact O-O 3.04Å; N117-K119 PolarHBondContact O-N 2.93Å; K119-L121 PolarHBondContact O-N 3.15Å
120P65.8Low86.5Confident106 Ų10671 Ų7169%0.68837%0.365SS*.  trans-66101.7-170.127.1-33.9000110.5K118K118-P120 VanDerWaalsContact C-CD 3.48Å; K118-P120 VanDerWaalsContact O-CD 3.29Å; K118-P120 WeakPolarHBondContact O-CD 3.48Å
121L75.7Confident86.8Confident86 Ų8668 Ų6845%0.4535%0.351SS..  trans-10697168.2-171.371.2000107F110 H111 K119F110-L121 HydrophobicContact CE1-CD2 3.98Å; H111-L121 PolarHBondContact ND1-O 2.88Å; K119-L121 PolarHBondContact O-N 3.15Å
122Q76.9Confident87.1Confident108 Ų10868 Ų6851%0.50535%0.351SS..PPolyproline II helixtrans-72.2154.3169-70.3-172.5-17.500109.6
123L87.2Confident87.5Confident12 Ų1267.4 Ų67.46%0.06335%0.35CS..PPolyproline II helixtrans-58.7134.6170.1-82.679.9000108.8I107 H111 R125 V128 L227I107-L123 HydrophobicContact CG2-CD2 4.11Å; H111-L123 HydrophobicContact CB-CD1 3.53Å; H111-L123 WeakPolarHBondContact CD2-CD1 2.9Å; L123-R125 PolarHBondContact O-N 2.76Å; L123-V128 HydrophobicContact CB-CG2 3.58Å; L123-V128 HydrophobicContact CD2-CG2 4.09Å; L123-V128 HydrophobicContact CG-CG2 4.49Å; L123-L227 HydrophobicContact CD2-CD2 3.55Å
124P92.9Very high88Confident74 Ų7465.7 Ų65.748%0.48133%0.333SS..PPolyproline II helixtrans-54.3131.5173.4-25.734.6000110.8G126 M127 V128P124-G126 VanDerWaalsContact C-N 3.26Å; P124-G126 PolarHBondContact O-N 3.08Å; P124-M127 HydrophobicContact CB-CB 4.08Å; P124-M127 WeakPolarHBondContact O-CA 3.46Å; P124-M127 WeakPolarHBondContact O-CB 3.43Å; P124-M127 PolarHBondContact O-N 2.98Å; P124-V128 PolarHBondContact O-N 3.28Å
125R93.6Very high88.7Confident189 Ų18964.6 Ų64.671%0.71333%0.325SS*.Hα-helixtrans-59.8-35.8-175.4-66.3-176.9-179.4176.10.7113L123 V128 K129L123-R125 PolarHBondContact O-N 2.76Å; R125-V128 PolarHBondContact O-N 2.74Å; R125-K129 PolarHBondContact O-N 2.81Å
126G97.3Very high89.6Confident20 Ų2060 Ų6021%0.20631%0.306CS..Hα-helixtrans-62.1-44.6173.300000112.1P124 V128 K129 S130P124-G126 VanDerWaalsContact C-N 3.26Å; P124-G126 PolarHBondContact O-N 3.08Å; G126-V128 PolarHBondContact O-N 3.35Å; G126-K129 WeakPolarHBondContact O-CB 3.39Å; G126-K129 PolarHBondContact O-N 2.84Å; G126-S130 PolarHBondContact O-N 2.93Å; G126-S130 PolarHBondContact O-OG 3.06Å; G126-S130 VanDerWaalsContact O-OG 3.05Å
127M98.2Very high90.6Very high9 Ų958.3 Ų58.34%0.04429%0.286CS..Hα-helixtrans-60.6-46.1175.4179179176.100111.8I107 P124 K129 S130 L131 V345 F346 Y353I107-M127 HydrophobicContact CD1-CE 4.09Å; I107-M127 HydrophobicContact CG2-CE 3.94Å; P124-M127 HydrophobicContact CB-CB 4.08Å; P124-M127 WeakPolarHBondContact O-CA 3.46Å; P124-M127 WeakPolarHBondContact O-CB 3.43Å; P124-M127 PolarHBondContact O-N 2.98Å; M127-K129 VanDerWaalsContact C-N 3.28Å; M127-K129 PolarHBondContact O-N 3.14Å; M127-S130 PolarHBondContact O-N 3.03Å; M127-L131 HydrophobicContact CE-CD1 3.96Å; M127-L131 HydrophobicContact CG-CD1 3.9Å; M127-L131 HydrophobicContact CG-CG 4.31Å; M127-L131 WeakPolarHBondContact O-CB 3.39Å; M127-L131 VanDerWaalsContact O-CG 3.23Å; M127-L131 WeakPolarHBondContact O-CG 3.44Å; M127-L131 PolarHBondContact O-N 3.22Å; M127-V345 WeakPolarHBondContact CA-O 3.38Å; M127-V345 VanDerWaalsContact CB-O 3.27Å; M127-V345 WeakPolarHBondContact CB-O 3.43Å; M127-V345 HydrophobicContact CE-CG2 4.43Å; M127-V345 HydrophobicContact CG-CB 4.29Å; M127-V345 HydrophobicContact CG-CG2 4.46Å; M127-V345 VanDerWaalsContact CG-O 3.3Å; M127-V345 WeakPolarHBondContact CG-O 3.41Å; M127-F346 HydrophobicContact CE-CD1 3.93Å; M127-F346 HydrophobicContact CE-CE1 3.61Å; M127-F346 HydrophobicContact SD-CD1 4.18Å; M127-F346 HydrophobicContact SD-CE1 4.45Å; M127-Y353 HydrophobicContact CE-CE2 3.85Å; M127-Y353 WeakPolarHBondContact CE-OH 3.06Å; M127-Y353 HydrophobicContact SD-CE2 4.46Å; M127-Y353 PolarHBondContact SD-OH 3.3Å; M127-Y353 VanDerWaalsContact SD-OH 3.32Å
128V98.4Very high91.4Very high4 Ų452.5 Ų52.52%0.02425%0.254CS..Hα-helixtrans-57.5-43.9176.5174.70000111.2L123 P124 R125 G126 L132 F224 L227 L228L123-V128 HydrophobicContact CB-CG2 3.58Å; L123-V128 HydrophobicContact CD2-CG2 4.09Å; L123-V128 HydrophobicContact CG-CG2 4.49Å; P124-V128 PolarHBondContact O-N 3.28Å; R125-V128 PolarHBondContact O-N 2.74Å; G126-V128 PolarHBondContact O-N 3.35Å; V128-L132 WeakPolarHBondContact O-CB 3.33Å; V128-L132 PolarHBondContact O-N 2.84Å; V128-F224 HydrophobicContact CG1-CD2 4.02Å; V128-F224 HydrophobicContact CG1-CE2 3.78Å; V128-L227 HydrophobicContact CG1-CB 3.84Å; V128-L227 HydrophobicContact CG1-CD1 4.47Å; V128-L227 HydrophobicContact CG2-CB 4.21Å; V128-L228 HydrophobicContact CG1-CD2 4.09Å; V128-L228 HydrophobicContact CG1-CG 4.42Å
129K98.7Very high92.6Very high4 Ų443.4 Ų43.42%0.01722%0.215CC..Hα-helixtrans-64.5-48.5178.6-171.4-178.4-61.2-169.90111.9R125 G126 M127 L131 L132 Y133 Y334 F335 E337 P339 P341R125-K129 PolarHBondContact O-N 2.81Å; G126-K129 WeakPolarHBondContact O-CB 3.39Å; G126-K129 PolarHBondContact O-N 2.84Å; M127-K129 VanDerWaalsContact C-N 3.28Å; M127-K129 PolarHBondContact O-N 3.14Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-L131 PolarHBondContact O-N 3.25Å; K129-L132 PolarHBondContact O-N 2.9Å; K129-Y133 WeakPolarHBondContact O-CB 3.44Å; K129-Y133 PolarHBondContact O-N 3.44Å; K129-Y334 HydrophobicContact CB-CE1 4.08Å; K129-Y334 WeakPolarHBondContact CB-OH 2.81Å; K129-Y334 HydrophobicContact CD-CE1 4.32Å; K129-Y334 VanDerWaalsContact CE-CE2 3.49Å; K129-Y334 VanDerWaalsContact CE-O 3.29Å; K129-Y334 WeakPolarHBondContact CE-O 3.39Å; K129-Y334 HydrophobicContact CG-CD1 4.23Å; K129-Y334 HydrophobicContact CG-CE1 3.62Å; K129-Y334 PolarHBondContact NZ-O 3.48Å; K129-F335 HydrophobicContact CD-CD1 4.17Å; K129-F335 HydrophobicContact CG-CD1 3.65Å; K129-F335 HydrophobicContact CG-CE1 3.85Å; K129-E337 PolarHBondContact NZ-O 3.33Å; K129-P339 WeakPolarHBondContact CD-O 3.14Å; K129-P339 VanDerWaalsContact CE-O 3.28Å; K129-P339 WeakPolarHBondContact CE-O 3.08Å; K129-P339 PolarHBondContact NZ-O 2.88Å; K129-P341 HydrophobicContact CD-CG 4.1Å; K129-P341 HydrophobicContact CG-CG 4.1Å
130S98.8Very high93.9Very high0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-60.9-42.1177.9-58.20000111.9G126 M127 Y133 Q134 T342G126-S130 PolarHBondContact O-N 2.93Å; G126-S130 PolarHBondContact O-OG 3.06Å; G126-S130 VanDerWaalsContact O-OG 3.05Å; M127-S130 PolarHBondContact O-N 3.03Å; S130-Y133 PolarHBondContact O-N 3.16Å; S130-Q134 WeakPolarHBondContact O-CB 3.47Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 3.21Å; S130-T342 WeakPolarHBondContact CB-O 3.45Å; S130-T342 PolarHBondContact OG-N 3.12Å; S130-T342 PolarHBondContact OG-OG1 2.92Å
131L98.9Very high95.5Very high0 Ų034.7 Ų34.70%017%0.166CC..Hα-helixtrans-59.2-52.8174.2-76.1169.3000111.2L104 M127 K129 Y133 Q134 I135 V159 V169 L227 V345L104-L131 HydrophobicContact CD2-CD1 3.72Å; L104-L131 HydrophobicContact CD2-CD2 3.76Å; L104-L131 HydrophobicContact CD2-CG 4.33Å; M127-L131 HydrophobicContact CE-CD1 3.96Å; M127-L131 HydrophobicContact CG-CD1 3.9Å; M127-L131 HydrophobicContact CG-CG 4.31Å; M127-L131 WeakPolarHBondContact O-CB 3.39Å; M127-L131 VanDerWaalsContact O-CG 3.23Å; M127-L131 WeakPolarHBondContact O-CG 3.44Å; M127-L131 PolarHBondContact O-N 3.22Å; K129-L131 VanDerWaalsContact C-N 3.34Å; K129-L131 PolarHBondContact O-N 3.25Å; L131-Y133 VanDerWaalsContact C-N 3.33Å; L131-Y133 PolarHBondContact O-N 3.04Å; L131-Q134 PolarHBondContact O-N 3.45Å; L131-I135 WeakPolarHBondContact O-CD1 3.07Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 3.36Å; L131-V159 HydrophobicContact CD2-CG2 3.89Å; L131-V169 HydrophobicContact CD2-CG2 3.66Å; L131-L227 HydrophobicContact CB-CD1 4.2Å; L131-L227 HydrophobicContact CD1-CD1 4.32Å; L131-L227 HydrophobicContact CD1-CD2 3.91Å; L131-V345 HydrophobicContact CD2-CB 4.19Å; L131-V345 HydrophobicContact CD2-CG1 3.92Å; L131-V345 HydrophobicContact CD2-CG2 4.05Å; L131-V345 HydrophobicContact CG-CB 4.18Å; L131-V345 HydrophobicContact CG-CG1 4.1Å; L131-V345 HydrophobicContact CG-CG2 4.42Å
132L98.9Very high96.5Very high1 Ų130.6 Ų30.61%0.00514%0.144CC..Hα-helixtrans-59.3-45.2-179.9-179.563.8000111.6V128 K129 Q134 I135 L136 I220 F224 L311 Y334 F335V128-L132 WeakPolarHBondContact O-CB 3.33Å; V128-L132 PolarHBondContact O-N 2.84Å; K129-L132 PolarHBondContact O-N 2.9Å; L132-Q134 PolarHBondContact O-N 3.21Å; L132-I135 PolarHBondContact O-N 3.4Å; L132-L136 HydrophobicContact CD1-CD1 4.22Å; L132-L136 HydrophobicContact CD1-CG 4.26Å; L132-L136 HydrophobicContact CG-CD1 3.94Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CB 3.36Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.5Å; L132-L136 PolarHBondContact O-N 2.95Å; L132-I220 HydrophobicContact CD1-CG2 3.62Å; L132-F224 HydrophobicContact CB-CD2 4.49Å; L132-F224 HydrophobicContact CD1-CB 4.01Å; L132-F224 HydrophobicContact CD1-CG 4.15Å; L132-F224 HydrophobicContact CD2-CB 4.49Å; L132-F224 HydrophobicContact CD2-CD1 3.69Å; L132-F224 HydrophobicContact CD2-CD2 3.77Å; L132-F224 HydrophobicContact CD2-CE1 3.68Å; L132-F224 HydrophobicContact CD2-CE2 3.77Å; L132-F224 HydrophobicContact CD2-CG 3.73Å; L132-F224 HydrophobicContact CD2-CZ 3.72Å; L132-F224 HydrophobicContact CG-CD2 4.47Å; L132-F224 HydrophobicContact CG-CG 4.46Å; L132-L311 HydrophobicContact CD2-CD2 3.75Å; L132-Y334 HydrophobicContact CD2-CE1 4.16Å; L132-F335 HydrophobicContact CB-CE1 4.49Å; L132-F335 HydrophobicContact CB-CZ 4.42Å; L132-F335 HydrophobicContact CD2-CE1 4.33Å; L132-F335 HydrophobicContact CD2-CZ 3.8Å; L132-F335 HydrophobicContact CG-CE1 4.46Å; L132-F335 HydrophobicContact CG-CZ 3.93Å
133Y98.9Very high97.4Very high76 Ų7625.7 Ų25.730%0.29812%0.121SC..Hα-helixtrans-59.6-48.2-180-170.7-91.2000111.5K129 S130 L131 I135 L136 D137 M330 F335 P341K129-Y133 WeakPolarHBondContact O-CB 3.44Å; K129-Y133 PolarHBondContact O-N 3.44Å; S130-Y133 PolarHBondContact O-N 3.16Å; L131-Y133 VanDerWaalsContact C-N 3.33Å; L131-Y133 PolarHBondContact O-N 3.04Å; Y133-I135 PolarHBondContact O-N 3.27Å; Y133-L136 PolarHBondContact O-N 2.89Å; Y133-D137 WeakPolarHBondContact O-CB 3.36Å; Y133-D137 PolarHBondContact O-N 3.3Å; Y133-M330 HydrophobicContact CE1-CE 4.29Å; Y133-M330 HydrophobicContact CE2-CB 4.26Å; Y133-M330 HydrophobicContact CE2-CE 4.4Å; Y133-M330 HydrophobicContact CE2-CG 4.48Å; Y133-F335 HydrophobicContact CD2-CB 4.21Å; Y133-F335 AromaticContact CD2-CD1 3.67Å; Y133-F335 HydrophobicContact CD2-CD1 3.67Å; Y133-F335 AromaticContact CD2-CD2 3.93Å; Y133-F335 HydrophobicContact CD2-CD2 3.93Å; Y133-F335 AromaticContact CD2-CE1 3.93Å; Y133-F335 HydrophobicContact CD2-CE1 3.93Å; Y133-F335 HydrophobicContact CD2-CE2 4.16Å; Y133-F335 AromaticContact CD2-CG 3.66Å; Y133-F335 HydrophobicContact CD2-CG 3.66Å; Y133-F335 HydrophobicContact CD2-CZ 4.16Å; Y133-F335 HydrophobicContact CE2-CB 4.45Å; Y133-F335 HydrophobicContact CE2-CD2 4.42Å; Y133-F335 HydrophobicContact CE2-CG 4.28Å; Y133-F335 HydrophobicContact CG-CD1 4.31Å; Y133-F335 HydrophobicContact CG-CE1 4.33Å; Y133-P341 HydrophobicContact CD1-CB 4.4Å; Y133-P341 HydrophobicContact CD2-CG 4.15Å; Y133-P341 HydrophobicContact CG-CB 4.08Å; Y133-P341 HydrophobicContact CG-CG 4.12Å
134Q98.9Very high97.8Very high12 Ų1228.4 Ų28.46%0.05614%0.139CC..Hα-helixtrans-69.1-30.5180-69.9-17242.400113.3N77 S130 L131 L132 G138 V169 T342 S343N77-Q134 WeakPolarHBondContact CB-O 3.34Å; N77-Q134 PolarHBondContact ND2-OE1 3.23Å; S130-Q134 WeakPolarHBondContact O-CB 3.47Å; S130-Q134 WeakPolarHBondContact O-CG 3.32Å; S130-Q134 PolarHBondContact O-N 3.21Å; L131-Q134 PolarHBondContact O-N 3.45Å; L132-Q134 PolarHBondContact O-N 3.21Å; Q134-G138 PolarHBondContact O-N 3.21Å; Q134-V169 HydrophobicContact CB-CB 3.79Å; Q134-V169 HydrophobicContact CB-CG2 3.76Å; Q134-T342 PolarHBondContact NE2-O 3.26Å; Q134-S343 PolarHBondContact NE2-O 2.72Å
135I98.9Very high97.9Very high0 Ų028.3 Ų28.30%013%0.134CC..Hα-helixtrans-65.6-44.9170.7-66.3162000110.2L104 L131 L132 Y133 D137 G138 I139 I157 V169 I220 I223L104-I135 HydrophobicContact CD1-CD1 3.94Å; L131-I135 WeakPolarHBondContact O-CD1 3.07Å; L131-I135 WeakPolarHBondContact O-CG1 3.45Å; L131-I135 PolarHBondContact O-N 3.36Å; L132-I135 PolarHBondContact O-N 3.4Å; Y133-I135 PolarHBondContact O-N 3.27Å; I135-D137 VanDerWaalsContact C-N 3.35Å; I135-G138 PolarHBondContact O-N 3.45Å; I135-I139 PolarHBondContact O-N 3.46Å; I135-I157 HydrophobicContact CD1-CG1 4.47Å; I135-I157 HydrophobicContact CD1-CG2 3.92Å; I135-I157 HydrophobicContact CG1-CD1 4.38Å; I135-I157 HydrophobicContact CG1-CG2 3.81Å; I135-I157 HydrophobicContact CG2-CD1 4.43Å; I135-V169 HydrophobicContact CG1-CG1 4.05Å; I135-I220 HydrophobicContact CG2-CD1 3.97Å; I135-I220 HydrophobicContact CG2-CG1 3.82Å; I135-I220 HydrophobicContact CG2-CG2 4.31Å; I135-I223 HydrophobicContact CD1-CG2 4.25Å
136L98.9Very high97.8Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-64.1-39.7177.5-72.1169.2000111.9L132 Y133 I139 H140 I220 A329 M330 F335L132-L136 HydrophobicContact CD1-CD1 4.22Å; L132-L136 HydrophobicContact CD1-CG 4.26Å; L132-L136 HydrophobicContact CG-CD1 3.94Å; L132-L136 HydrophobicContact CG-CG 4.41Å; L132-L136 WeakPolarHBondContact O-CB 3.36Å; L132-L136 VanDerWaalsContact O-CG 3.32Å; L132-L136 WeakPolarHBondContact O-CG 3.5Å; L132-L136 PolarHBondContact O-N 2.95Å; Y133-L136 PolarHBondContact O-N 2.89Å; L136-I139 WeakPolarHBondContact O-CG2 3.49Å; L136-I139 PolarHBondContact O-N 3.47Å; L136-H140 WeakPolarHBondContact O-CB 3.13Å; L136-H140 PolarHBondContact O-N 2.95Å; L136-I220 HydrophobicContact CD2-CD1 4.33Å; L136-I220 HydrophobicContact CD2-CG2 4.04Å; L136-I220 HydrophobicContact CG-CG2 4.49Å; L136-A329 HydrophobicContact CD1-CB 3.8Å; L136-A329 HydrophobicContact CD2-CB 3.87Å; L136-A329 HydrophobicContact CG-CB 4.49Å; L136-M330 HydrophobicContact CB-CG 3.62Å; L136-M330 HydrophobicContact CB-SD 4.28Å; L136-M330 HydrophobicContact CD1-CG 4.39Å; L136-F335 HydrophobicContact CD1-CE2 3.79Å; L136-F335 HydrophobicContact CD1-CZ 3.72Å
137D98.9Very high97.6Very high43 Ų4325.1 Ų25.123%0.2312%0.116CC..Hα-helixtrans-63.7-48.3177-165.921.1000111.3H75 N77 Y133 I135 I139 H140 Y141 M330H75-D137 IonicContact CE1-OD1 3.96Å; H75-D137 IonicContact CE1-OD2 3.63Å; H75-D137 IonicContact NE2-OD1 3.89Å; H75-D137 IonicContact NE2-OD2 3.83Å; N77-D137 PolarHBondContact OD1-OD2 2.86Å; Y133-D137 WeakPolarHBondContact O-CB 3.36Å; Y133-D137 PolarHBondContact O-N 3.3Å; I135-D137 VanDerWaalsContact C-N 3.35Å; D137-I139 PolarHBondContact O-N 2.86Å; D137-H140 PolarHBondContact O-N 3.48Å; D137-Y141 PolarHBondContact O-N 3.48Å; D137-M330 HydrophobicContact CB-CE 3.78Å; D137-M330 HydrophobicContact CB-SD 4.36Å; D137-M330 WeakPolarHBondContact OD1-CE 3.39Å
138G98.8Very high97.2Very high0 Ų024.9 Ų24.90%012%0.115CC..Hα-helixtrans-60.4-45.3175.100000113.4Q134 I135 Y141 L142Q134-G138 PolarHBondContact O-N 3.21Å; I135-G138 PolarHBondContact O-N 3.45Å; G138-Y141 PolarHBondContact O-N 3.04Å; G138-L142 WeakPolarHBondContact O-CG 3.39Å; G138-L142 PolarHBondContact O-N 2.96Å; G138-L142 VanDerWaalsContact O-N 3.12Å
139I98.6Very high96.9Very high0 Ų024.7 Ų24.70%011%0.114CC..Hα-helixtrans-71.3-32.8179.7-156.158.5000111.7I135 L136 D137 L142 H143 H149 L152 I171 D216 I220I135-I139 PolarHBondContact O-N 3.46Å; L136-I139 WeakPolarHBondContact O-CG2 3.49Å; L136-I139 PolarHBondContact O-N 3.47Å; D137-I139 PolarHBondContact O-N 2.86Å; I139-L142 HydrophobicContact CD1-CB 4.36Å; I139-L142 HydrophobicContact CD1-CD1 3.9Å; I139-L142 PolarHBondContact O-N 2.92Å; I139-H143 WeakPolarHBondContact CG1-NE2 3.37Å; I139-H143 VanDerWaalsContact O-CB 3.31Å; I139-H143 WeakPolarHBondContact O-CB 3.47Å; I139-H143 PolarHBondContact O-CD2 3.18Å; I139-H143 VanDerWaalsContact O-CG 3.23Å; I139-H143 PolarHBondContact O-N 2.95Å; I139-H149 HydrophobicContact CD1-CB 3.89Å; I139-L152 HydrophobicContact CD1-CD1 3.88Å; I139-L152 HydrophobicContact CG1-CD1 4.2Å; I139-I171 HydrophobicContact CB-CD1 4.47Å; I139-D216 HydrophobicContact CD1-CB 4.15Å; I139-D216 HydrophobicContact CG1-CB 4.08Å; I139-I220 HydrophobicContact CB-CD1 3.98Å; I139-I220 HydrophobicContact CG1-CD1 4.1Å; I139-I220 HydrophobicContact CG2-CD1 3.54Å
140H98.7Very high96.5Very high49 Ų4925.6 Ų25.623%0.22712%0.117CC..Hα-helixtrans-61-46.5174.1176.273.4000110.7L136 D137 L142 H143 T144 S326 M330L136-H140 WeakPolarHBondContact O-CB 3.13Å; L136-H140 PolarHBondContact O-N 2.95Å; D137-H140 PolarHBondContact O-N 3.48Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-L142 PolarHBondContact O-N 3.21Å; H140-H143 PolarHBondContact O-N 3.13Å; H140-T144 WeakPolarHBondContact O-CG2 3.33Å; H140-T144 PolarHBondContact O-N 3.33Å; H140-T144 PolarHBondContact O-OG1 3.45Å; H140-S326 WeakPolarHBondContact CA-OG 3.28Å; H140-M330 HydrophobicContact CB-SD 4Å
141Y98.6Very high96Very high42 Ų4226.3 Ų26.317%0.16512%0.121CC..Hα-helixtrans-57.4-44.7173.1174.7-97.7000112.5L73 K74 H75 V78 D137 G138 H143 T144 N145L73-Y141 HydrophobicContact CB-CE1 4.25Å; L73-Y141 HydrophobicContact CD2-CD1 4.45Å; L73-Y141 HydrophobicContact CD2-CE1 3.64Å; K74-Y141 PolarHBondContact N-OH 2.92Å; K74-Y141 PolarHBondContact O-OH 3.32Å; H75-Y141 HydrophobicContact CB-CD1 3.42Å; H75-Y141 VanDerWaalsContact CB-CD1 3.42Å; H75-Y141 HydrophobicContact CB-CD2 4.06Å; H75-Y141 HydrophobicContact CB-CE1 3.69Å; H75-Y141 HydrophobicContact CB-CE2 4.31Å; H75-Y141 HydrophobicContact CB-CG 3.62Å; H75-Y141 AromaticContact CD2-CD2 3.76Å; H75-Y141 AromaticContact CD2-CG 3.65Å; H75-Y141 AromaticContact CG-CD1 3.94Å; H75-Y141 AromaticContact CG-CG 3.67Å; V78-Y141 HydrophobicContact CG2-CD1 4.12Å; D137-Y141 PolarHBondContact O-N 3.48Å; G138-Y141 PolarHBondContact O-N 3.04Å; Y141-H143 PolarHBondContact O-N 2.94Å; Y141-T144 WeakPolarHBondContact CA-OG1 3.49Å; Y141-T144 PolarHBondContact O-N 2.76Å; Y141-T144 PolarHBondContact O-OG1 3.27Å; Y141-N145 VanDerWaalsContact CE2-ND2 3.25Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.42Å; Y141-N145 PolarHBondContact O-N 3.21Å; Y141-N145 PolarHBondContact O-ND2 3.31Å
142L97.3Very high95.8Very high0 Ų026.5 Ų26.50%012%0.122CC..Hα-helixtrans-61.9-46.4176.1-66.2177.4000111.5L73 V78 G138 I139 H140 T144 N145 W146 V147 I171 M174L73-L142 HydrophobicContact CD1-CD2 3.68Å; L73-L142 HydrophobicContact CD2-CD2 3.89Å; L73-L142 HydrophobicContact CG-CD2 4.39Å; V78-L142 HydrophobicContact CG1-CD2 4.37Å; V78-L142 HydrophobicContact CG2-CD1 4.47Å; V78-L142 HydrophobicContact CG2-CD2 4.06Å; V78-L142 HydrophobicContact CG2-CG 4.12Å; G138-L142 WeakPolarHBondContact O-CG 3.39Å; G138-L142 PolarHBondContact O-N 2.96Å; G138-L142 VanDerWaalsContact O-N 3.12Å; I139-L142 HydrophobicContact CD1-CB 4.36Å; I139-L142 HydrophobicContact CD1-CD1 3.9Å; I139-L142 PolarHBondContact O-N 2.92Å; H140-L142 VanDerWaalsContact C-N 3.34Å; H140-L142 PolarHBondContact O-N 3.21Å; L142-T144 VanDerWaalsContact C-N 3.34Å; L142-T144 PolarHBondContact O-N 2.77Å; L142-N145 CarbonylContact O-C 3.6Å; L142-N145 PolarHBondContact O-N 3.16Å; L142-N145 VanDerWaalsContact O-N 3.14Å; L142-W146 PolarHBondContact O-N 3.22Å; L142-V147 CarbonylContact C-O 3.6Å; L142-V147 VanDerWaalsContact C-O 3.27Å; L142-V147 HydrophobicContact CB-CB 4.21Å; L142-V147 HydrophobicContact CD2-CB 4.29Å; L142-V147 HydrophobicContact CD2-CG1 4.2Å; L142-V147 PolarHBondContact O-N 2.94Å; L142-I171 HydrophobicContact CD1-CG2 4.47Å; L142-M174 HydrophobicContact CD1-CE 4.05Å; L142-M174 HydrophobicContact CD1-SD 4.3Å
143H96.3Very high95.5Very high4 Ų428.3 Ų28.32%0.01913%0.13CC..Hα-helixtrans-66.7-30.8-177.8-75.7-172.3000113.7I139 H140 Y141 V147 K213 D216I139-H143 WeakPolarHBondContact CG1-NE2 3.37Å; I139-H143 VanDerWaalsContact O-CB 3.31Å; I139-H143 WeakPolarHBondContact O-CB 3.47Å; I139-H143 PolarHBondContact O-CD2 3.18Å; I139-H143 VanDerWaalsContact O-CG 3.23Å; I139-H143 PolarHBondContact O-N 2.95Å; H140-H143 PolarHBondContact O-N 3.13Å; Y141-H143 PolarHBondContact O-N 2.94Å; H143-V147 PolarHBondContact CD2-O 3.28Å; H143-K213 HydrophobicContact CB-CD 3.93Å; H143-K213 HydrophobicContact CB-CG 4.28Å; H143-K213 PolarHBondContact CE1-O 2.94Å; H143-K213 WeakPolarHBondContact O-CE 3.19Å; H143-K213 PolarHBondContact O-NZ 3.2Å; H143-D216 IonicContact CD2-OD2 3.14Å; H143-D216 IonicContact CE1-OD2 2.82Å; H143-D216 IonicContact NE2-OD2 3.61Å; H143-D216 PolarHBondContact NE2-OD2 3.25Å
144T96.6Very high95.4Very high69 Ų6924.8 Ų24.842%0.42312%0.116SC..Hα-helixtrans-74.8-29.9173.849.70000111.9H140 Y141 L142 W146H140-T144 WeakPolarHBondContact O-CG2 3.33Å; H140-T144 PolarHBondContact O-N 3.33Å; H140-T144 PolarHBondContact O-OG1 3.45Å; Y141-T144 WeakPolarHBondContact CA-OG1 3.49Å; Y141-T144 PolarHBondContact O-N 2.76Å; Y141-T144 PolarHBondContact O-OG1 3.27Å; L142-T144 VanDerWaalsContact C-N 3.34Å; L142-T144 PolarHBondContact O-N 2.77Å; T144-W146 VanDerWaalsContact C-N 3.25Å; T144-W146 PolarHBondContact O-N 3.44Å
145N94.8Very high95.2Very high72 Ų7226.1 Ų26.139%0.38513%0.129SC..THydrogen-bonded Turntrans-8919.2173-70.5-80000113.7L73 Y141 L142 V147L73-N145 HydrophobicContact CD2-CB 4.36Å; Y141-N145 VanDerWaalsContact CE2-ND2 3.25Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.42Å; Y141-N145 PolarHBondContact O-N 3.21Å; Y141-N145 PolarHBondContact O-ND2 3.31Å; L142-N145 CarbonylContact O-C 3.6Å; L142-N145 PolarHBondContact O-N 3.16Å; L142-N145 VanDerWaalsContact O-N 3.14Å; N145-V147 PolarHBondContact O-N 3.16Å
146W91.3Very high95Very high140 Ų14026.7 Ų26.753%0.5313%0.133SC..THydrogen-bonded Turntrans61.523.1176.6-58.275.3000115L142 T144 L179 F180L142-W146 PolarHBondContact O-N 3.22Å; T144-W146 VanDerWaalsContact C-N 3.25Å; T144-W146 PolarHBondContact O-N 3.44Å; W146-L179 VanDerWaalsContact O-CA 3.3Å; W146-L179 WeakPolarHBondContact O-CA 3.13Å; W146-F180 VanDerWaalsContact C-CD1 3.46Å; W146-F180 HydrophobicContact CB-CD1 4.21Å; W146-F180 HydrophobicContact CB-CE1 3.93Å; W146-F180 HydrophobicContact CB-CZ 4.15Å; W146-F180 HydrophobicContact CD2-CE1 4.43Å; W146-F180 AromaticContact CD2-CE2 3.86Å; W146-F180 HydrophobicContact CD2-CE2 3.86Å; W146-F180 AromaticContact CD2-CZ 3.75Å; W146-F180 HydrophobicContact CD2-CZ 3.75Å; W146-F180 HydrophobicContact CE3-CD1 4.47Å; W146-F180 AromaticContact CE3-CD2 3.41Å; W146-F180 HydrophobicContact CE3-CD2 3.41Å; W146-F180 VanDerWaalsContact CE3-CD2 3.41Å; W146-F180 HydrophobicContact CE3-CE1 4.16Å; W146-F180 AromaticContact CE3-CE2 2.95Å; W146-F180 HydrophobicContact CE3-CE2 2.95Å; W146-F180 HydrophobicContact CE3-CG 4.14Å; W146-F180 AromaticContact CE3-CZ 3.34Å; W146-F180 HydrophobicContact CE3-CZ 3.34Å; W146-F180 HydrophobicContact CG-CE1 4.42Å; W146-F180 HydrophobicContact CG-CZ 4.15Å; W146-F180 HydrophobicContact CH2-CE2 4.2Å; W146-F180 AromaticContact CZ3-CD2 3.72Å; W146-F180 HydrophobicContact CZ3-CD2 3.72Å; W146-F180 AromaticContact CZ3-CE2 3.17Å; W146-F180 HydrophobicContact CZ3-CE2 3.17Å; W146-F180 AromaticContact CZ3-CZ 3.91Å; W146-F180 HydrophobicContact CZ3-CZ 3.91Å; W146-F180 WeakPolarHBondContact O-CD1 3.09Å; W146-F180 WeakPolarHBondContact O-CE1 3.35Å; W146-F180 PolarHBondContact O-N 3.45Å
147V91.6Very high95Very high2 Ų226.7 Ų26.71%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-103123.8177.6-177.70000110L69 L73 L142 H143 N145 A177 L179L69-V147 HydrophobicContact CD1-CG1 4.32Å; L69-V147 HydrophobicContact CD2-CG2 3.89Å; L73-V147 HydrophobicContact CD2-CG2 4.26Å; L142-V147 CarbonylContact C-O 3.6Å; L142-V147 VanDerWaalsContact C-O 3.27Å; L142-V147 HydrophobicContact CB-CB 4.21Å; L142-V147 HydrophobicContact CD2-CB 4.29Å; L142-V147 HydrophobicContact CD2-CG1 4.2Å; L142-V147 PolarHBondContact O-N 2.94Å; H143-V147 PolarHBondContact CD2-O 3.28Å; N145-V147 PolarHBondContact O-N 3.16Å; V147-A177 HydrophobicContact CG1-CB 4.01Å; V147-L179 HydrophobicContact CG2-CD2 3.94Å
148L91.1Very high95Very high4 Ų426.1 Ų26.12%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-96.9138.3167-58.1179.8000109.5R150 A177 R178 F180 Y211 K213L148-R150 HydrophobicContact CB-CG 3.79Å; L148-A177 WeakPolarHBondContact O-CA 3.13Å; L148-A177 WeakPolarHBondContact O-CB 3.43Å; L148-R178 PolarHBondContact N-O 3.17Å; L148-R178 PolarHBondContact O-N 3Å; L148-R178 VanDerWaalsContact O-N 3.13Å; L148-F180 HydrophobicContact CD1-CB 4.28Å; L148-F180 HydrophobicContact CD1-CD1 4.26Å; L148-F180 HydrophobicContact CD2-CD1 3.93Å; L148-F180 HydrophobicContact CD2-CE1 4.04Å; L148-F180 HydrophobicContact CG-CD1 3.73Å; L148-F180 HydrophobicContact CG-CE1 4.33Å; L148-F180 HydrophobicContact CG-CG 4.45Å; L148-Y211 WeakPolarHBondContact CD1-O 3.38Å; L148-K213 HydrophobicContact CD2-CB 4.38Å; L148-K213 HydrophobicContact CD2-CG 3.75Å
149H92.5Very high95Very high0 Ų026.1 Ų26.10%013%0.129CC..  trans-79-47.5-179.3-172-76.5000112.1I139 D151 L152 I171 A172 D216I139-H149 HydrophobicContact CD1-CB 3.89Å; H149-D151 PolarHBondContact CE1-O 3.49Å; H149-D151 VanDerWaalsContact CE1-O 3.3Å; H149-D151 VanDerWaalsContact ND1-C 3.28Å; H149-D151 PolarHBondContact ND1-N 3.22Å; H149-D151 PolarHBondContact O-N 2.85Å; H149-D151 VanDerWaalsContact O-N 3.08Å; H149-L152 HydrophobicContact CB-CD1 4.39Å; H149-L152 HydrophobicContact CB-CD2 4.07Å; H149-L152 HydrophobicContact CB-CG 3.88Å; H149-L152 VanDerWaalsContact CG-CD2 3.48Å; H149-L152 PolarHBondContact ND1-N 3.29Å; H149-I171 VanDerWaalsContact CD2-CG2 3.47Å; H149-I171 WeakPolarHBondContact CD2-CG2 3.43Å; H149-A172 PolarHBondContact NE2-O 2.93Å; H149-D216 PolarHBondContact N-OD2 3.35Å
150R88.8Confident95Very high23 Ų2327 Ų279%0.08713%0.134CC..  trans72.2-13.9172-51.8174.358.4-136.58.8116.8L148 F176 R178 D191 Y211 D216L148-R150 HydrophobicContact CB-CG 3.79Å; R150-F176 HydrophobicContact CB-CB 4.27Å; R150-F176 VanDerWaalsContact CD-O 3.3Å; R150-F176 WeakPolarHBondContact CD-O 3.25Å; R150-F176 PolarHBondContact NH1-O 3.18Å; R150-R178 VanDerWaalsContact NH1-CZ 3.35Å; R150-D191 IonicContact CZ-OD1 2.73Å; R150-D191 IonicContact CZ-OD2 3.57Å; R150-D191 IonicContact NH1-OD1 2.62Å; R150-D191 PolarHBondContact NH1-OD1 2.84Å; R150-D191 VanDerWaalsContact NH1-OD1 3.09Å; R150-D191 IonicContact NH1-OD2 2.71Å; R150-D191 IonicContact NH2-OD1 3.5Å; R150-D191 IonicContact NH2-OD2 2.7Å; R150-D191 PolarHBondContact NH2-OD2 3.48Å; R150-Y211 HydrophobicContact CB-CD1 3.76Å; R150-Y211 HydrophobicContact CB-CE1 3.71Å; R150-Y211 HydrophobicContact CG-CD1 3.5Å; R150-Y211 VanDerWaalsContact CG-CD1 3.5Å; R150-Y211 HydrophobicContact CG-CE1 3.99Å; R150-Y211 HydrophobicContact CG-CG 3.95Å; R150-Y211 VanDerWaalsContact NE-CD1 3.35Å; R150-Y211 VanDerWaalsContact NE-CD2 3.29Å; R150-Y211 VanDerWaalsContact NH2-CZ 3.32Å; R150-D216 PolarHBondContact N-OD1 3.04Å
151D88.6Confident94.9Very high15 Ų1525.1 Ų25.18%0.0813%0.127CC..  trans-136.147.8175-169.438.5000112.5H149 K153 N156 F176H149-D151 PolarHBondContact CE1-O 3.49Å; H149-D151 VanDerWaalsContact CE1-O 3.3Å; H149-D151 VanDerWaalsContact ND1-C 3.28Å; H149-D151 PolarHBondContact ND1-N 3.22Å; H149-D151 PolarHBondContact O-N 2.85Å; H149-D151 VanDerWaalsContact O-N 3.08Å; D151-K153 PolarHBondContact O-N 2.92Å; D151-K153 IonicContact OD1-NZ 3.51Å; D151-K153 IonicContact OD2-NZ 3.14Å; D151-K153 PolarHBondContact OD2-NZ 3.35Å; D151-N156 PolarHBondContact O-ND2 3.33Å; D151-N156 PolarHBondContact OD2-ND2 3.4Å; D151-F176 HydrophobicContact CB-CB 4.3Å; D151-F176 HydrophobicContact CB-CD2 3.47Å; D151-F176 VanDerWaalsContact CB-CD2 3.47Å; D151-F176 HydrophobicContact CB-CE2 3.91Å; D151-F176 HydrophobicContact CB-CG 4.18Å; D151-F176 WeakPolarHBondContact OD2-CE2 3.44Å
152L94.6Very high94.9Very high4 Ų429.4 Ų29.42%0.02115%0.149CC..  trans-71.3125.2174.9-72.7175.2000110.2I139 H149 I157 I171 Y199 D216 A219 I220 I223I139-L152 HydrophobicContact CD1-CD1 3.88Å; I139-L152 HydrophobicContact CG1-CD1 4.2Å; H149-L152 HydrophobicContact CB-CD1 4.39Å; H149-L152 HydrophobicContact CB-CD2 4.07Å; H149-L152 HydrophobicContact CB-CG 3.88Å; H149-L152 VanDerWaalsContact CG-CD2 3.48Å; H149-L152 PolarHBondContact ND1-N 3.29Å; L152-I157 HydrophobicContact CD2-CD1 4Å; L152-I171 HydrophobicContact CD2-CG2 3.98Å; L152-Y199 WeakPolarHBondContact O-CB 3.33Å; L152-D216 HydrophobicContact CD1-CB 3.83Å; L152-A219 HydrophobicContact CB-CB 3.76Å; L152-I220 HydrophobicContact CD1-CD1 3.95Å; L152-I220 HydrophobicContact CD1-CG1 3.77Å; L152-I223 HydrophobicContact CB-CD1 4.43Å
153K94.1Very high94.8Very high40 Ų4031.5 Ų31.517%0.17417%0.17CC..  trans-157.6161.7177.365.1-162.6-179.3-152.30109.3D151 A155 N156 I157 Y199D151-K153 PolarHBondContact O-N 2.92Å; D151-K153 IonicContact OD1-NZ 3.51Å; D151-K153 IonicContact OD2-NZ 3.14Å; D151-K153 PolarHBondContact OD2-NZ 3.35Å; K153-A155 HydrophobicContact CG-CB 4.36Å; K153-A155 PolarHBondContact O-N 3.09Å; K153-A155 VanDerWaalsContact O-N 3.09Å; K153-N156 WeakPolarHBondContact CE-ND2 3.33Å; K153-N156 HydrophobicContact CG-CB 4.24Å; K153-N156 PolarHBondContact O-N 3.31Å; K153-I157 PolarHBondContact O-N 3.27Å; K153-Y199 HydrophobicContact CB-CD2 3.66Å; K153-Y199 HydrophobicContact CB-CE2 3.8Å; K153-Y199 HydrophobicContact CB-CG 4.14Å
154P96.6Very high94.8Very high1 Ų137.6 Ų37.61%0.00621%0.21CC..G310 helixtrans-53.2-34.8-177.4-31.137.2000115L104 W105 I108 N156 I157 Y199 I223L104-P154 HydrophobicContact CB-CB 3.8Å; L104-P154 WeakPolarHBondContact CB-O 3.49Å; L104-P154 PolarHBondContact N-O 3.16Å; W105-P154 HydrophobicContact CB-CB 4.04Å; W105-P154 PolarHBondContact N-O 3.03Å; I108-P154 HydrophobicContact CD1-CB 4.08Å; I108-P154 HydrophobicContact CD1-CG 4.11Å; P154-N156 PolarHBondContact O-N 2.82Å; P154-I157 PolarHBondContact O-N 3.5Å; P154-Y199 WeakPolarHBondContact CD-OH 3.31Å; P154-Y199 HydrophobicContact CG-CE1 3.92Å; P154-Y199 WeakPolarHBondContact CG-OH 3.28Å; P154-I223 HydrophobicContact CG-CG1 4.3Å
155A93.2Very high94.9Very high41 Ų4136.2 Ų36.234%0.33920%0.199SC..G310 helixtrans-67-23.2177.900000113.7W105 K153W105-A155 HydrophobicContact CB-CB 4.22Å; K153-A155 HydrophobicContact CG-CB 4.36Å; K153-A155 PolarHBondContact O-N 3.09Å; K153-A155 VanDerWaalsContact O-N 3.09Å
156N95.4Very high95.1Very high12 Ų1234.8 Ų34.86%0.06419%0.188CC..G310 helixtrans-95.80.6-179.8-68.1-2.2000112.5D151 K153 P154 A172D151-N156 PolarHBondContact O-ND2 3.33Å; D151-N156 PolarHBondContact OD2-ND2 3.4Å; K153-N156 WeakPolarHBondContact CE-ND2 3.33Å; K153-N156 HydrophobicContact CG-CB 4.24Å; K153-N156 PolarHBondContact O-N 3.31Å; P154-N156 PolarHBondContact O-N 2.82Å; N156-A172 PolarHBondContact O-N 3.3Å
157I98.4Very high95.4Very high0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-105.794.9173.5-51.9-57.2000108.1D103 L104 I135 L152 K153 P154 V169 I171 I223D103-I157 CarbonylContact C-O 3.27Å; D103-I157 VanDerWaalsContact CA-O 3.28Å; D103-I157 WeakPolarHBondContact CA-O 3.43Å; D103-I157 WeakPolarHBondContact CB-O 3.44Å; L104-I157 HydrophobicContact CB-CB 4.34Å; L104-I157 HydrophobicContact CD1-CB 3.75Å; L104-I157 HydrophobicContact CD1-CG1 4.17Å; L104-I157 HydrophobicContact CD1-CG2 3.57Å; L104-I157 HydrophobicContact CG-CB 3.81Å; L104-I157 HydrophobicContact CG-CG2 3.71Å; L104-I157 PolarHBondContact N-O 3.33Å; I135-I157 HydrophobicContact CD1-CG1 4.47Å; I135-I157 HydrophobicContact CD1-CG2 3.92Å; I135-I157 HydrophobicContact CG1-CD1 4.38Å; I135-I157 HydrophobicContact CG1-CG2 3.81Å; I135-I157 HydrophobicContact CG2-CD1 4.43Å; L152-I157 HydrophobicContact CD2-CD1 4Å; K153-I157 PolarHBondContact O-N 3.27Å; P154-I157 PolarHBondContact O-N 3.5Å; I157-V169 HydrophobicContact CG2-CG1 3.65Å; I157-I171 HydrophobicContact CD1-CG1 4.14Å; I157-I223 HydrophobicContact CG1-CD1 4.16Å
158L98.6Very high95.8Very high30 Ų3031.5 Ų31.516%0.15718%0.175CC..EExtended strand (participates in β ladder)trans-81.9154.9179.3-46.1179.6000110.3I79 A100 H102 D103 V169 K170 A172I79-L158 HydrophobicContact CD1-CD1 4.37Å; A100-L158 HydrophobicContact CB-CB 3.64Å; A100-L158 HydrophobicContact CB-CD1 3.97Å; A100-L158 HydrophobicContact CB-CG 4.37Å; H102-L158 WeakPolarHBondContact O-CA 3.44Å; D103-L158 HydrophobicContact CB-CD2 3.92Å; L158-V169 CarbonylContact O-C 3.26Å; L158-V169 WeakPolarHBondContact O-CA 3.25Å; L158-K170 HydrophobicContact CB-CB 4.23Å; L158-K170 WeakPolarHBondContact CB-O 3.26Å; L158-K170 PolarHBondContact N-O 2.96Å; L158-K170 PolarHBondContact O-N 3.3Å; L158-A172 HydrophobicContact CD1-CB 3.53Å; L158-A172 HydrophobicContact CG-CB 3.77Å
159V98.8Very high96.1Very high0 Ų031.3 Ų31.30%017%0.174CC..EExtended strand (participates in β ladder)trans-131.7125.3173.6-175.10000108.5H102 L104 I107 L131 R168 V345 F346H102-V159 HydrophobicContact CB-CB 4.17Å; H102-V159 PolarHBondContact N-O 2.73Å; H102-V159 VanDerWaalsContact N-O 3.11Å; H102-V159 PolarHBondContact O-N 2.89Å; L104-V159 HydrophobicContact CD2-CG2 4.25Å; I107-V159 HydrophobicContact CD1-CB 4.39Å; I107-V159 HydrophobicContact CD1-CG2 4.09Å; L131-V159 HydrophobicContact CD2-CG2 3.89Å; V159-R168 WeakPolarHBondContact CA-O 3.43Å; V159-V345 HydrophobicContact CG1-CG2 3.84Å; V159-F346 HydrophobicContact CG1-CE1 4.35Å; V159-F346 HydrophobicContact CG1-CE2 3.92Å; V159-F346 HydrophobicContact CG1-CZ 3.52Å
160M98.6Very high96.4Very high20 Ų2031.8 Ų31.810%0.09918%0.177CC..  trans-64135.9178.7-61.5-58.9-7400110.4D98 A100 E165 G167 R168 K170D98-M160 HydrophobicContact CB-CE 4.2Å; A100-M160 HydrophobicContact CB-SD 3.91Å; M160-E165 HydrophobicContact CB-CB 4.22Å; M160-E165 WeakPolarHBondContact CB-O 3.46Å; M160-E165 HydrophobicContact CE-CB 4.26Å; M160-E165 HydrophobicContact CG-CB 3.91Å; M160-G167 PolarHBondContact O-N 3.08Å; M160-R168 HydrophobicContact CG-CB 4.17Å; M160-R168 WeakPolarHBondContact CG-O 3.36Å; M160-R168 PolarHBondContact N-O 3.34Å; M160-K170 HydrophobicContact CG-CG 4.04Å; M160-K170 HydrophobicContact SD-CG 3.83Å
161G98.1Very high96.9Very high8 Ų830.7 Ų30.78%0.08217%0.172CC..  trans-78-149.6176.300000112.3R166G161-R166 VanDerWaalsContact O-CA 3.31Å; G161-R166 WeakPolarHBondContact O-CA 3.32Å
162E97Very high97.1Very high133 Ų13330.5 Ų30.562%0.62117%0.173SC*.SBendtrans-62.5140.3173.6-64.1-61.6167.100111.5R166 I351E162-R166 IonicContact OE1-CZ 3.58Å; E162-R166 IonicContact OE1-NE 3.6Å; E162-R166 PolarHBondContact OE1-NE 3.32Å; E162-R166 IonicContact OE1-NH2 3.44Å; E162-R166 PolarHBondContact OE1-NH2 3.2Å; E162-R166 WeakPolarHBondContact OE2-CD 3.32Å; E162-R166 IonicContact OE2-CZ 2.72Å; E162-R166 IonicContact OE2-NE 2.89Å; E162-R166 PolarHBondContact OE2-NE 2.78Å; E162-R166 IonicContact OE2-NH2 2.72Å; E162-I351 HydrophobicContact CG-CD1 4.24Å; E162-I351 WeakPolarHBondContact OE1-CD1 3.05Å
163G96Very high96.6Very high44 Ų4431.3 Ų31.345%0.45418%0.177SC..SBendtrans139.9-169.8-178.400000113.9E165 R166G163-E165 PolarHBondContact O-N 3.3Å; G163-R166 WeakPolarHBondContact O-CB 3.36Å; G163-R166 PolarHBondContact O-N 3.3Å
164P96.7Very high95.8Very high132 Ų13229.4 Ų29.486%0.85717%0.169SC*.THydrogen-bonded Turntrans-67.2-22-17426.8-35.2000114.1
165E98Very high94.2Very high40 Ų4029.5 Ų29.519%0.18717%0.17CC..THydrogen-bonded Turntrans-106.325.5176.8-62-158.398.500112.5M160 G163 G167 R168 K170M160-E165 HydrophobicContact CB-CB 4.22Å; M160-E165 WeakPolarHBondContact CB-O 3.46Å; M160-E165 HydrophobicContact CE-CB 4.26Å; M160-E165 HydrophobicContact CG-CB 3.91Å; G163-E165 PolarHBondContact O-N 3.3Å; E165-G167 PolarHBondContact O-N 3.31Å; E165-R168 HydrophobicContact CB-CB 4.22Å; E165-R168 WeakPolarHBondContact O-CB 3.42Å; E165-R168 PolarHBondContact O-N 3.49Å; E165-R168 VanDerWaalsContact OE1-CD 3.28Å; E165-R168 WeakPolarHBondContact OE1-CD 2.97Å; E165-R168 IonicContact OE1-CZ 2.7Å; E165-R168 IonicContact OE1-NE 2.87Å; E165-R168 IonicContact OE1-NH1 3.09Å; E165-R168 PolarHBondContact OE1-NH1 3.32Å; E165-K170 IonicContact OE1-NZ 3.8Å; E165-K170 PolarHBondContact OE1-NZ 3.1Å; E165-K170 WeakPolarHBondContact OE2-CE 3.43Å; E165-K170 IonicContact OE2-NZ 3.45Å; E165-K170 PolarHBondContact OE2-NZ 2.7Å
166R98.5Very high93Very high42 Ų4227.9 Ų27.916%0.15816%0.155CC..THydrogen-bonded Turntrans-43.1126.4-174.9-172.4-175.9-162.8-91.1-2113.6G161 E162 G163 R168 D344 F346 C349 I351G161-R166 VanDerWaalsContact O-CA 3.31Å; G161-R166 WeakPolarHBondContact O-CA 3.32Å; E162-R166 IonicContact OE1-CZ 3.58Å; E162-R166 IonicContact OE1-NE 3.6Å; E162-R166 PolarHBondContact OE1-NE 3.32Å; E162-R166 IonicContact OE1-NH2 3.44Å; E162-R166 PolarHBondContact OE1-NH2 3.2Å; E162-R166 WeakPolarHBondContact OE2-CD 3.32Å; E162-R166 IonicContact OE2-CZ 2.72Å; E162-R166 IonicContact OE2-NE 2.89Å; E162-R166 PolarHBondContact OE2-NE 2.78Å; E162-R166 IonicContact OE2-NH2 2.72Å; G163-R166 WeakPolarHBondContact O-CB 3.36Å; G163-R166 PolarHBondContact O-N 3.3Å; R166-R168 PolarHBondContact O-N 3.36Å; R166-R168 VanDerWaalsContact O-N 3.16Å; R166-D344 IonicContact CZ-OD2 2.94Å; R166-D344 IonicContact NH1-OD1 3.65Å; R166-D344 IonicContact NH1-OD2 2.85Å; R166-D344 PolarHBondContact NH1-OD2 3.14Å; R166-D344 WeakPolarHBondContact O-CA 3.4Å; R166-D344 WeakPolarHBondContact O-CB 3.25Å; R166-F346 HydrophobicContact CG-CD2 4.48Å; R166-C349 PolarHBondContact NH1-O 3.08Å; R166-C349 PolarHBondContact NH2-O 3.49Å; R166-I351 VanDerWaalsContact NH2-CG1 3.26Å
167G98.5Very high91.6Very high0 Ų027.3 Ų27.30%015%0.152CC..THydrogen-bonded Turntrans68.57.2176.800000115M160 E165 D344 V345 F346M160-G167 PolarHBondContact O-N 3.08Å; E165-G167 PolarHBondContact O-N 3.31Å; G167-D344 WeakPolarHBondContact CA-OD1 3.42Å; G167-V345 WeakPolarHBondContact O-CG1 3.35Å; G167-V345 WeakPolarHBondContact O-CG2 3.34Å; G167-V345 PolarHBondContact O-N 3.08Å; G167-F346 VanDerWaalsContact CA-CE2 3.5Å
168R98.9Very high90.3Very high72 Ų7229.5 Ų29.527%0.27216%0.16SC..  trans-73.8133.5175.8-172.9168.1-68.3168.4-1.2110.6P76 V159 M160 E165 R166P76-R168 WeakPolarHBondContact O-CD 3.45Å; V159-R168 WeakPolarHBondContact CA-O 3.43Å; M160-R168 HydrophobicContact CG-CB 4.17Å; M160-R168 WeakPolarHBondContact CG-O 3.36Å; M160-R168 PolarHBondContact N-O 3.34Å; E165-R168 HydrophobicContact CB-CB 4.22Å; E165-R168 WeakPolarHBondContact O-CB 3.42Å; E165-R168 PolarHBondContact O-N 3.49Å; E165-R168 VanDerWaalsContact OE1-CD 3.28Å; E165-R168 WeakPolarHBondContact OE1-CD 2.97Å; E165-R168 IonicContact OE1-CZ 2.7Å; E165-R168 IonicContact OE1-NE 2.87Å; E165-R168 IonicContact OE1-NH1 3.09Å; E165-R168 PolarHBondContact OE1-NH1 3.32Å; R166-R168 PolarHBondContact O-N 3.36Å; R166-R168 VanDerWaalsContact O-N 3.16Å
169V98.9Very high88.7Confident0 Ų033 Ų330%018%0.179CC..EExtended strand (participates in β ladder)trans-71.9139.5171.8172.60000109.7N77 L131 Q134 I135 I157 L158 V345N77-V169 VanDerWaalsContact CA-O 3.24Å; N77-V169 WeakPolarHBondContact CA-O 3.41Å; N77-V169 PolarHBondContact ND2-O 2.89Å; L131-V169 HydrophobicContact CD2-CG2 3.66Å; Q134-V169 HydrophobicContact CB-CB 3.79Å; Q134-V169 HydrophobicContact CB-CG2 3.76Å; I135-V169 HydrophobicContact CG1-CG1 4.05Å; I157-V169 HydrophobicContact CG2-CG1 3.65Å; L158-V169 CarbonylContact O-C 3.26Å; L158-V169 WeakPolarHBondContact O-CA 3.25Å; V169-V345 HydrophobicContact CG2-CG1 4.38Å
170K98.7Very high87.1Confident11 Ų1134.7 Ų34.75%0.04819%0.186CC..EExtended strand (participates in β ladder)trans-127.3112.3167.8-56.3-70.6-176.61750109.1P76 I79 L158 M160 E165 A172P76-K170 VanDerWaalsContact O-CD 3.31Å; P76-K170 WeakPolarHBondContact O-CD 3.49Å; P76-K170 WeakPolarHBondContact O-CE 3.36Å; P76-K170 PolarHBondContact O-NZ 3.5Å; I79-K170 HydrophobicContact CB-CB 4.45Å; I79-K170 HydrophobicContact CD1-CB 4.04Å; I79-K170 HydrophobicContact CD1-CG 4.24Å; L158-K170 HydrophobicContact CB-CB 4.23Å; L158-K170 WeakPolarHBondContact CB-O 3.26Å; L158-K170 PolarHBondContact N-O 2.96Å; L158-K170 PolarHBondContact O-N 3.3Å; M160-K170 HydrophobicContact CG-CG 4.04Å; M160-K170 HydrophobicContact SD-CG 3.83Å; E165-K170 IonicContact OE1-NZ 3.8Å; E165-K170 PolarHBondContact OE1-NZ 3.1Å; E165-K170 WeakPolarHBondContact OE2-CE 3.43Å; E165-K170 IonicContact OE2-NZ 3.45Å; E165-K170 PolarHBondContact OE2-NZ 2.7Å; K170-A172 PolarHBondContact O-N 3.26Å
171I98.5Very high85.1Confident0 Ų038 Ų380%020%0.204CC..EExtended strand (participates in β ladder)trans-70.6125.3170-58.3173.7000107.8N77 I79 I139 L142 H149 L152 I157 M174N77-I171 WeakPolarHBondContact O-CG1 3.29Å; N77-I171 PolarHBondContact O-N 3.39Å; I79-I171 PolarHBondContact N-O 2.87Å; I139-I171 HydrophobicContact CB-CD1 4.47Å; L142-I171 HydrophobicContact CD1-CG2 4.47Å; H149-I171 VanDerWaalsContact CD2-CG2 3.47Å; H149-I171 WeakPolarHBondContact CD2-CG2 3.43Å; L152-I171 HydrophobicContact CD2-CG2 3.98Å; I157-I171 HydrophobicContact CD1-CG1 4.14Å; I171-M174 HydrophobicContact CB-CE 4.41Å; I171-M174 HydrophobicContact CG2-CE 3.76Å
172A94.1Very high82.4Confident11 Ų1143 Ų439%0.09124%0.238CC..  trans-126.9172.9-174.200000112.2I79 H149 N156 L158 K170I79-A172 HydrophobicContact CB-CB 4.27Å; I79-A172 HydrophobicContact CG2-CB 4.11Å; H149-A172 PolarHBondContact NE2-O 2.93Å; N156-A172 PolarHBondContact O-N 3.3Å; L158-A172 HydrophobicContact CD1-CB 3.53Å; L158-A172 HydrophobicContact CG-CB 3.77Å; K170-A172 PolarHBondContact O-N 3.26Å
173D83.7Confident80.3Confident20 Ų2041.9 Ų41.911%0.10724%0.243CC..  trans64.970.5177.6-160.514.6000115.1Y32 K52 G175Y32-D173 WeakPolarHBondContact CD2-OD2 3.47Å; Y32-D173 WeakPolarHBondContact CE2-OD2 3.39Å; K52-D173 IonicContact NZ-OD1 3.51Å; K52-D173 PolarHBondContact NZ-OD1 2.93Å; D173-G175 PolarHBondContact O-N 2.94Å
174M76.3Confident78.4Confident0 Ų043.6 Ų43.60%024%0.241CC..G310 helixtrans-79.514.7176.3-57.5-62.8149.600112.9L70 V78 L142 I171 F176 A177L70-M174 HydrophobicContact CD2-CG 3.81Å; L70-M174 HydrophobicContact CG-CG 4.28Å; V78-M174 HydrophobicContact CG1-CE 4.14Å; L142-M174 HydrophobicContact CD1-CE 4.05Å; L142-M174 HydrophobicContact CD1-SD 4.3Å; I171-M174 HydrophobicContact CB-CE 4.41Å; I171-M174 HydrophobicContact CG2-CE 3.76Å; M174-F176 PolarHBondContact O-N 3.3Å; M174-A177 HydrophobicContact CB-CB 3.85Å; M174-A177 VanDerWaalsContact O-CB 3.23Å; M174-A177 WeakPolarHBondContact O-CB 3.45Å; M174-A177 PolarHBondContact O-N 2.77Å; M174-A177 HydrophobicContact SD-CB 4.15Å
175G64.5Low76.2Confident3 Ų345.1 Ų45.13%0.03123%0.234CC..G310 helixtrans-59.3-31.3-176.600000113.6D173D173-G175 PolarHBondContact O-N 2.94Å
176F66.2Low74.2Confident8 Ų847.6 Ų47.64%0.03525%0.254CS..G310 helixtrans-95.5-6172.5-62.6-82.7000114.3Y32 R150 D151 M174 R178 D191 P192 V194Y32-F176 HydrophobicContact CE1-CD2 4.15Å; Y32-F176 AromaticContact CE1-CE2 3.49Å; Y32-F176 HydrophobicContact CE1-CE2 3.49Å; Y32-F176 VanDerWaalsContact CE1-CE2 3.49Å; Y32-F176 AromaticContact CE1-CZ 3.76Å; Y32-F176 HydrophobicContact CE1-CZ 3.76Å; Y32-F176 HydrophobicContact CE2-CE2 4.48Å; Y32-F176 AromaticContact CZ-CE2 3.34Å; Y32-F176 AromaticContact CZ-CZ 3.79Å; Y32-F176 WeakPolarHBondContact OH-CE2 3.15Å; Y32-F176 WeakPolarHBondContact OH-CZ 3.5Å; R150-F176 HydrophobicContact CB-CB 4.27Å; R150-F176 VanDerWaalsContact CD-O 3.3Å; R150-F176 WeakPolarHBondContact CD-O 3.25Å; R150-F176 PolarHBondContact NH1-O 3.18Å; D151-F176 HydrophobicContact CB-CB 4.3Å; D151-F176 HydrophobicContact CB-CD2 3.47Å; D151-F176 VanDerWaalsContact CB-CD2 3.47Å; D151-F176 HydrophobicContact CB-CE2 3.91Å; D151-F176 HydrophobicContact CB-CG 4.18Å; D151-F176 WeakPolarHBondContact OD2-CE2 3.44Å; M174-F176 PolarHBondContact O-N 3.3Å; F176-R178 VanDerWaalsContact C-NH1 3.27Å; F176-R178 PolarHBondContact O-NH1 3.46Å; F176-D191 HydrophobicContact CD1-CB 4.32Å; F176-D191 HydrophobicContact CE1-CB 4.33Å; F176-P192 HydrophobicContact CE1-CB 4.18Å; F176-P192 HydrophobicContact CE1-CG 3.92Å; F176-P192 HydrophobicContact CZ-CB 4.38Å; F176-P192 HydrophobicContact CZ-CG 4.36Å; F176-V194 HydrophobicContact CE1-CG2 4.16Å; F176-V194 HydrophobicContact CZ-CG2 4Å
177A67.6Low72.1Confident0 Ų048.6 Ų48.60%026%0.262CS..  trans-59.8148.7-174.100000110.9R65 L69 V147 L148 M174R65-A177 WeakPolarHBondContact CD-O 3.22Å; L69-A177 HydrophobicContact CD1-CB 3.68Å; V147-A177 HydrophobicContact CG1-CB 4.01Å; L148-A177 WeakPolarHBondContact O-CA 3.13Å; L148-A177 WeakPolarHBondContact O-CB 3.43Å; M174-A177 HydrophobicContact CB-CB 3.85Å; M174-A177 VanDerWaalsContact O-CB 3.23Å; M174-A177 WeakPolarHBondContact O-CB 3.45Å; M174-A177 PolarHBondContact O-N 2.77Å; M174-A177 HydrophobicContact SD-CB 4.15Å
178R69.9Low69.8Low45 Ų4551.5 Ų51.517%0.1729%0.286CS..EExtended strand (participates in β ladder)trans-139.3139.9177.2-62.7-68.4179.3-90.43.9109.3R65 L148 R150 F176 F180 D191R65-R178 VanDerWaalsContact CD-NH1 3.27Å; R65-R178 VanDerWaalsContact NH2-NH2 3.16Å; L148-R178 PolarHBondContact N-O 3.17Å; L148-R178 PolarHBondContact O-N 3Å; L148-R178 VanDerWaalsContact O-N 3.13Å; R150-R178 VanDerWaalsContact NH1-CZ 3.35Å; F176-R178 VanDerWaalsContact C-NH1 3.27Å; F176-R178 PolarHBondContact O-NH1 3.46Å; R178-F180 PolarHBondContact O-N 3.15Å; R178-D191 IonicContact CZ-OD1 3.75Å; R178-D191 IonicContact NH2-OD1 3.51Å; R178-D191 PolarHBondContact NH2-OD1 3.41Å
179L65.5Low67.5Low103 Ų10356.4 Ų56.454%0.53932%0.317SS..EExtended strand (participates in β ladder)trans-65.1127.1157.3-66.4174.1000107.5L69 W146 V147L69-L179 HydrophobicContact CD2-CD2 3.95Å; L69-L179 HydrophobicContact CD2-CG 4.1Å; W146-L179 VanDerWaalsContact O-CA 3.3Å; W146-L179 WeakPolarHBondContact O-CA 3.13Å; V147-L179 HydrophobicContact CG2-CD2 3.94Å
180F65.8Low65Low36 Ų3663 Ų6316%0.15835%0.351CS..PPolyproline II helixtrans-91.6125.1166.466.7-83.7000108.4W146 L148 R178 L184W146-F180 VanDerWaalsContact C-CD1 3.46Å; W146-F180 HydrophobicContact CB-CD1 4.21Å; W146-F180 HydrophobicContact CB-CE1 3.93Å; W146-F180 HydrophobicContact CB-CZ 4.15Å; W146-F180 HydrophobicContact CD2-CE1 4.43Å; W146-F180 AromaticContact CD2-CE2 3.86Å; W146-F180 HydrophobicContact CD2-CE2 3.86Å; W146-F180 AromaticContact CD2-CZ 3.75Å; W146-F180 HydrophobicContact CD2-CZ 3.75Å; W146-F180 HydrophobicContact CE3-CD1 4.47Å; W146-F180 AromaticContact CE3-CD2 3.41Å; W146-F180 HydrophobicContact CE3-CD2 3.41Å; W146-F180 VanDerWaalsContact CE3-CD2 3.41Å; W146-F180 HydrophobicContact CE3-CE1 4.16Å; W146-F180 AromaticContact CE3-CE2 2.95Å; W146-F180 HydrophobicContact CE3-CE2 2.95Å; W146-F180 HydrophobicContact CE3-CG 4.14Å; W146-F180 AromaticContact CE3-CZ 3.34Å; W146-F180 HydrophobicContact CE3-CZ 3.34Å; W146-F180 HydrophobicContact CG-CE1 4.42Å; W146-F180 HydrophobicContact CG-CZ 4.15Å; W146-F180 HydrophobicContact CH2-CE2 4.2Å; W146-F180 AromaticContact CZ3-CD2 3.72Å; W146-F180 HydrophobicContact CZ3-CD2 3.72Å; W146-F180 AromaticContact CZ3-CE2 3.17Å; W146-F180 HydrophobicContact CZ3-CE2 3.17Å; W146-F180 AromaticContact CZ3-CZ 3.91Å; W146-F180 HydrophobicContact CZ3-CZ 3.91Å; W146-F180 WeakPolarHBondContact O-CD1 3.09Å; W146-F180 WeakPolarHBondContact O-CE1 3.35Å; W146-F180 PolarHBondContact O-N 3.45Å; L148-F180 HydrophobicContact CD1-CB 4.28Å; L148-F180 HydrophobicContact CD1-CD1 4.26Å; L148-F180 HydrophobicContact CD2-CD1 3.93Å; L148-F180 HydrophobicContact CD2-CE1 4.04Å; L148-F180 HydrophobicContact CG-CD1 3.73Å; L148-F180 HydrophobicContact CG-CE1 4.33Å; L148-F180 HydrophobicContact CG-CG 4.45Å; R178-F180 PolarHBondContact O-N 3.15Å; F180-L184 HydrophobicContact CB-CD2 4.36Å
181N56.4Low62.8Low90 Ų9064.4 Ų64.448%0.48136%0.36SS..PPolyproline II helixtrans-97.3154.1171.4-70.843.2000108.4P183 L184N181-P183 CarbonylContact C-O 3.5Å; N181-P183 CarbonylContact O-C 3.51Å; N181-L184 PolarHBondContact O-N 3.48Å
182S41.3Very low60.5Low114 Ų11466.8 Ų66.880%0.79738%0.375SS*.SBendtrans-91.2120.5159.7-171.90000107.9
183P52.3Low58.6Low109 Ų10971 Ų7171%0.70840%0.399SS*.SBendcis-80.9155.21.833.1-34.5000113.4N181 K185N181-P183 CarbonylContact C-O 3.5Å; N181-P183 CarbonylContact O-C 3.51Å; P183-K185 PolarHBondContact O-N 2.71Å; P183-K185 VanDerWaalsContact O-N 3.17Å
184L55.7Low57.4Low80 Ų8072 Ų7242%0.41941%0.406SS..PPolyproline II helixtrans-56.4118.8179-67.8170.4000110.1F180 N181 H210F180-L184 HydrophobicContact CB-CD2 4.36Å; N181-L184 PolarHBondContact O-N 3.48Å; L184-H210 HydrophobicContact CB-CB 4.4Å; L184-H210 HydrophobicContact CD1-CB 4.2Å; L184-H210 PolarHBondContact O-CE1 3.44Å
185K51.9Low56.5Low164 Ų16475.5 Ų75.571%0.71343%0.428SS*.PPolyproline II helixtrans-70.6135.3175-70.8-171.7176.5-178.80109.6P183 H210P183-K185 PolarHBondContact O-N 2.71Å; P183-K185 VanDerWaalsContact O-N 3.17Å; K185-H210 PolarHBondContact O-ND1 3Å
186P55.8Low56.7Low92 Ų9277.8 Ų77.860%0.59744%0.441SS*.PPolyproline II helixtrans-57.5145.8168.4-20.631.2000110.3A188P186-A188 PolarHBondContact O-N 3.25Å; P186-A188 VanDerWaalsContact O-N 3.08Å
187L54.8Low57.5Low63 Ų6378.5 Ų78.533%0.3344%0.444SS..  trans-60.2110.8165.8-74.3159000109.1R209 Y211L187-R209 WeakPolarHBondContact CB-O 3.27Å; L187-R209 VanDerWaalsContact CD1-C 3.49Å; L187-R209 VanDerWaalsContact CD1-O 3.29Å; L187-R209 WeakPolarHBondContact CD1-O 3.17Å; L187-R209 WeakPolarHBondContact CG-O 3.41Å; L187-R209 PolarHBondContact N-O 3.31Å; L187-Y211 HydrophobicContact CD1-CD2 3.59Å; L187-Y211 HydrophobicContact CD1-CE2 3.35Å; L187-Y211 HydrophobicContact CD2-CD2 3.45Å; L187-Y211 VanDerWaalsContact CD2-CD2 3.45Å; L187-Y211 HydrophobicContact CD2-CE2 3.28Å; L187-Y211 HydrophobicContact CG-CD2 3.86Å; L187-Y211 HydrophobicContact CG-CE2 3.84Å
188A48.4Very low58.6Low61 Ų6181 Ų8150%0.50445%0.454SS..  trans-77.5147.4155.800000107.5P186 L190P186-A188 PolarHBondContact O-N 3.25Å; P186-A188 VanDerWaalsContact O-N 3.08Å; A188-L190 HydrophobicContact CB-CD1 3.87Å; A188-L190 HydrophobicContact CB-CG 4.25Å; A188-L190 PolarHBondContact O-N 2.93Å
189D50.7Low59.8Low174 Ų17480 Ų8093%0.9345%0.45SS*.SBendtrans-58.836.3-174.1-56.1-58000116
190L46.8Very low61Low138 Ų13877.7 Ų77.772%0.72343%0.434SS*.  trans-107.17-162.8-73.8168.7000113.9A188A188-L190 HydrophobicContact CB-CD1 3.87Å; A188-L190 HydrophobicContact CB-CG 4.25Å; A188-L190 PolarHBondContact O-N 2.93Å
191D51.9Low62.4Low42 Ų4276 Ų7623%0.22543%0.427CS..SBendtrans-94.5132.6173.3-62.5-54.5000110.1R150 F176 R178R150-D191 IonicContact CZ-OD1 2.73Å; R150-D191 IonicContact CZ-OD2 3.57Å; R150-D191 IonicContact NH1-OD1 2.62Å; R150-D191 PolarHBondContact NH1-OD1 2.84Å; R150-D191 VanDerWaalsContact NH1-OD1 3.09Å; R150-D191 IonicContact NH1-OD2 2.71Å; R150-D191 IonicContact NH2-OD1 3.5Å; R150-D191 IonicContact NH2-OD2 2.7Å; R150-D191 PolarHBondContact NH2-OD2 3.48Å; F176-D191 HydrophobicContact CD1-CB 4.32Å; F176-D191 HydrophobicContact CE1-CB 4.33Å; R178-D191 IonicContact CZ-OD1 3.75Å; R178-D191 IonicContact NH2-OD1 3.51Å; R178-D191 PolarHBondContact NH2-OD1 3.41Å
192P51.2Low64.3Low50 Ų5071.8 Ų71.833%0.32540%0.404SS..  trans-46.8142.1169.5-24.726.8000111.3T31 F176 V194T31-P192 HydrophobicContact CG2-CB 4.42Å; F176-P192 HydrophobicContact CE1-CB 4.18Å; F176-P192 HydrophobicContact CE1-CG 3.92Å; F176-P192 HydrophobicContact CZ-CB 4.38Å; F176-P192 HydrophobicContact CZ-CG 4.36Å; P192-V194 PolarHBondContact O-N 3.06Å
193V53.3Low66.9Low98 Ų9866.6 Ų66.659%0.59437%0.367SS*.  trans-54.6109.7173.9178.90000108.5I241V193-I241 HydrophobicContact CG1-CG2 3.92Å
194V59.6Low68.8Low41 Ų4161.6 Ų61.625%0.24834%0.335CS..  trans-77.3126.5176.9-179.10000107.9F176 P192 F197F176-V194 HydrophobicContact CE1-CG2 4.16Å; F176-V194 HydrophobicContact CZ-CG2 4Å; P192-V194 PolarHBondContact O-N 3.06Å; V194-F197 WeakPolarHBondContact O-CE1 3.09Å; V194-F197 WeakPolarHBondContact O-CZ 3.46Å
195V57.7Low70.5Confident75 Ų7557.8 Ų57.846%0.45532%0.315SS..SBendtrans-87.6-16.4-173-178.30000112.3I241V195-I241 HydrophobicContact CB-CD1 4.31Å; V195-I241 HydrophobicContact CG1-CD1 3.91Å; V195-I241 WeakPolarHBondContact O-CD1 3.28Å
196T68.3Low72.5Confident50 Ų5050 Ų5031%0.30728%0.281SS..  trans-124.2112.3-176-49.30000111.7W198 Y199T196-W198 HydrophobicContact CG2-CB 4.23Å; T196-W198 HydrophobicContact CG2-CD2 3.64Å; T196-W198 HydrophobicContact CG2-CE3 3.91Å; T196-W198 HydrophobicContact CG2-CG 3.79Å; T196-Y199 HydrophobicContact CG2-CE2 4.36Å
197F82.1Confident74.1Confident23 Ų2346.1 Ų46.110%0.10126%0.257CS..  trans-96.32-177.8-56-62.7000114.6V194 Y199 R200 I241 H248 Q251V194-F197 WeakPolarHBondContact O-CE1 3.09Å; V194-F197 WeakPolarHBondContact O-CZ 3.46Å; F197-Y199 PolarHBondContact O-N 3.35Å; F197-R200 HydrophobicContact CB-CB 4.36Å; F197-R200 VanDerWaalsContact CE1-NH1 3.27Å; F197-R200 VanDerWaalsContact O-CB 3.3Å; F197-R200 WeakPolarHBondContact O-CB 3.16Å; F197-R200 PolarHBondContact O-N 3.48Å; F197-I241 HydrophobicContact CE2-CD1 3.93Å; F197-I241 HydrophobicContact CE2-CG1 4.32Å; F197-I241 HydrophobicContact CE2-CG2 4.15Å; F197-I241 HydrophobicContact CZ-CG2 4.18Å; F197-H248 AromaticContact CD2-CD2 3.96Å; F197-H248 AromaticContact CE1-CD2 3.94Å; F197-H248 AromaticContact CE1-NE2 3.44Å; F197-H248 WeakPolarHBondContact CE1-NE2 3.48Å; F197-H248 AromaticContact CE2-CD2 3.87Å; F197-H248 AromaticContact CE2-CE1 3.5Å; F197-H248 VanDerWaalsContact CE2-CE1 3.5Å; F197-H248 WeakPolarHBondContact CE2-CE1 3.43Å; F197-H248 AromaticContact CE2-ND1 3.81Å; F197-H248 AromaticContact CE2-NE2 3.51Å; F197-H248 AromaticContact CZ-CD2 3.85Å; F197-H248 AromaticContact CZ-CE1 3.45Å; F197-H248 VanDerWaalsContact CZ-CE1 3.45Å; F197-H248 WeakPolarHBondContact CZ-CE1 3.43Å; F197-H248 AromaticContact CZ-NE2 3.15Å; F197-H248 WeakPolarHBondContact CZ-NE2 3.38Å; F197-Q251 HydrophobicContact CB-CG 3.89Å
198W91.8Very high75.7Confident54 Ų5444.1 Ų44.121%0.20525%0.25CC..THydrogen-bonded Turntrans-60.7-23-174.4-53.2-18.3000114.3T196 P232 H235 C236T196-W198 HydrophobicContact CG2-CB 4.23Å; T196-W198 HydrophobicContact CG2-CD2 3.64Å; T196-W198 HydrophobicContact CG2-CE3 3.91Å; T196-W198 HydrophobicContact CG2-CG 3.79Å; W198-P232 HydrophobicContact CE3-CB 3.92Å; W198-P232 HydrophobicContact CE3-CG 4.05Å; W198-P232 HydrophobicContact CZ3-CB 4.41Å; W198-P232 HydrophobicContact CZ3-CG 4.02Å; W198-H235 AromaticContact CE2-CD2 3.87Å; W198-H235 AromaticContact CH2-CD2 3.6Å; W198-H235 AromaticContact CH2-NE2 3.99Å; W198-H235 AromaticContact CZ2-CD2 3.42Å; W198-H235 VanDerWaalsContact CZ2-CD2 3.42Å; W198-H235 WeakPolarHBondContact CZ2-CD2 3.41Å; W198-H235 AromaticContact CZ2-NE2 3.71Å; W198-C236 PolarHBondContact NE1-O 2.72Å
199Y94.1Very high77.2Confident22 Ų2249.3 Ų49.39%0.08626%0.256CS..THydrogen-bonded Turntrans-107.63.5179.6-47.3-84.4000112.4L152 K153 P154 T196 F197 C222 I223 E226L152-Y199 WeakPolarHBondContact O-CB 3.33Å; K153-Y199 HydrophobicContact CB-CD2 3.66Å; K153-Y199 HydrophobicContact CB-CE2 3.8Å; K153-Y199 HydrophobicContact CB-CG 4.14Å; P154-Y199 WeakPolarHBondContact CD-OH 3.31Å; P154-Y199 HydrophobicContact CG-CE1 3.92Å; P154-Y199 WeakPolarHBondContact CG-OH 3.28Å; T196-Y199 HydrophobicContact CG2-CE2 4.36Å; F197-Y199 PolarHBondContact O-N 3.35Å; Y199-C222 HydrophobicContact CD1-CB 3.65Å; Y199-C222 HydrophobicContact CE1-CB 4.31Å; Y199-I223 HydrophobicContact CD1-CG1 4.18Å; Y199-I223 HydrophobicContact CE1-CG1 4.24Å; Y199-E226 PolarHBondContact OH-OE2 3.47Å
200R91.8Very high78.6Confident56 Ų5644.3 Ų44.321%0.21123%0.227CC..  trans-80.3132.1-177.7-167.5166.1-176.4-170.2-0.6110F197 L204 L205 W218F197-R200 HydrophobicContact CB-CB 4.36Å; F197-R200 VanDerWaalsContact CE1-NH1 3.27Å; F197-R200 VanDerWaalsContact O-CB 3.3Å; F197-R200 WeakPolarHBondContact O-CB 3.16Å; F197-R200 PolarHBondContact O-N 3.48Å; R200-L204 HydrophobicContact CG-CB 3.75Å; R200-L204 HydrophobicContact CG-CD1 3.76Å; R200-L204 HydrophobicContact CG-CG 4.44Å; R200-L205 HydrophobicContact CB-CD2 4.37Å; R200-L205 HydrophobicContact CG-CD2 4.1Å; R200-L205 HydrophobicContact CG-CG 4.39Å; R200-W218 PolarHBondContact O-NE1 3.25Å; R200-W218 VanDerWaalsContact O-NE1 3.17Å
201A95.5Very high80.2Confident0 Ų039.5 Ų39.50%020%0.199CC..  trans-69.2148179.900000112E203 L204 L205 I215 W218A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 HydrophobicContact CB-CG 4.35Å; A201-E203 VanDerWaalsContact CB-OE1 3.28Å; A201-E203 WeakPolarHBondContact CB-OE1 3.38Å; A201-E203 VanDerWaalsContact CB-OE2 3.32Å; A201-E203 WeakPolarHBondContact CB-OE2 3.42Å; A201-E203 PolarHBondContact O-N 2.86Å; A201-L204 WeakPolarHBondContact O-CB 3.32Å; A201-L204 PolarHBondContact O-N 2.92Å; A201-L205 PolarHBondContact O-N 3.29Å; A201-I215 HydrophobicContact CB-CB 4.48Å; A201-I215 HydrophobicContact CB-CG1 4.19Å; A201-I215 HydrophobicContact CB-CG2 4.38Å; A201-W218 HydrophobicContact CB-CB 3.8Å; A201-W218 HydrophobicContact CB-CD2 4.32Å; A201-W218 HydrophobicContact CB-CG 3.69Å
202P96.5Very high82Confident1 Ų139.9 Ų39.91%0.00620%0.203CC..Hα-helixtrans-60.6-33.7-175.324.5-34.6000112.7L204 L205 L206 W218 W267P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 2.71Å; P202-L205 CarbonylContact O-C 3.47Å; P202-L205 WeakPolarHBondContact O-CB 3.47Å; P202-L205 PolarHBondContact O-N 2.91Å; P202-L205 VanDerWaalsContact O-N 3.1Å; P202-L206 WeakPolarHBondContact O-CG 3.43Å; P202-L206 PolarHBondContact O-N 3.16Å; P202-W218 HydrophobicContact CG-CH2 4.14Å; P202-W218 HydrophobicContact CG-CZ2 4.39Å; P202-W218 HydrophobicContact CG-CZ3 4.2Å; P202-W267 HydrophobicContact CB-CH2 4.27Å; P202-W267 HydrophobicContact CB-CZ3 4.09Å; P202-W267 HydrophobicContact CG-CH2 4.35Å; P202-W267 HydrophobicContact CG-CZ3 4.2Å
203E95.4Very high84Confident6 Ų641.5 Ų41.53%0.02821%0.205CC..Hα-helixtrans-61.2-3417663.2-86.6-158.900112.7A201 L206 G207 A208 I215 W267 M273 P320 R323A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 HydrophobicContact CB-CG 4.35Å; A201-E203 VanDerWaalsContact CB-OE1 3.28Å; A201-E203 WeakPolarHBondContact CB-OE1 3.38Å; A201-E203 VanDerWaalsContact CB-OE2 3.32Å; A201-E203 WeakPolarHBondContact CB-OE2 3.42Å; A201-E203 PolarHBondContact O-N 2.86Å; E203-L206 CarbonylContact O-C 3.58Å; E203-L206 PolarHBondContact O-N 3.12Å; E203-G207 PolarHBondContact O-N 3.3Å; E203-A208 HydrophobicContact CB-CB 4.11Å; E203-A208 HydrophobicContact CG-CB 4.37Å; E203-A208 WeakPolarHBondContact O-CB 3.28Å; E203-A208 PolarHBondContact O-N 3Å; E203-I215 HydrophobicContact CG-CG1 4.46Å; E203-I215 WeakPolarHBondContact OE1-CG1 3.49Å; E203-W267 HydrophobicContact CB-CH2 4.02Å; E203-W267 HydrophobicContact CB-CZ2 3.97Å; E203-M273 HydrophobicContact CB-SD 4.33Å; E203-P320 HydrophobicContact CB-CG 4.4Å; E203-P320 HydrophobicContact CG-CB 4.49Å; E203-P320 HydrophobicContact CG-CG 4.33Å; E203-R323 IonicContact OE1-CZ 3Å; E203-R323 IonicContact OE1-NH1 3.87Å; E203-R323 PolarHBondContact OE1-NH1 2.99Å; E203-R323 IonicContact OE1-NH2 2.68Å; E203-R323 PolarHBondContact OE1-NH2 3.02Å; E203-R323 IonicContact OE2-CZ 3.8Å; E203-R323 IonicContact OE2-NH1 3.79Å; E203-R323 IonicContact OE2-NH2 2.76Å; E203-R323 PolarHBondContact OE2-NH2 2.9Å
204L91.4Very high86.1Confident4 Ų437.6 Ų37.62%0.02118%0.183CC..Hα-helixtrans-72.8-33.2175.2-73.7179.2000112.2R200 A201 P202 L206 G207 Y211 I215R200-L204 HydrophobicContact CG-CB 3.75Å; R200-L204 HydrophobicContact CG-CD1 3.76Å; R200-L204 HydrophobicContact CG-CG 4.44Å; A201-L204 WeakPolarHBondContact O-CB 3.32Å; A201-L204 PolarHBondContact O-N 2.92Å; P202-L204 VanDerWaalsContact C-N 3.26Å; P202-L204 PolarHBondContact O-N 2.71Å; L204-L206 PolarHBondContact O-N 3.27Å; L204-G207 PolarHBondContact O-N 2.99Å; L204-Y211 HydrophobicContact CD1-CD1 4.42Å; L204-Y211 HydrophobicContact CD1-CE1 3.83Å; L204-Y211 HydrophobicContact CD2-CE1 4.35Å; L204-Y211 HydrophobicContact CD2-CE2 4.3Å; L204-I215 HydrophobicContact CD1-CD1 3.89Å; L204-I215 HydrophobicContact CD1-CG1 4.27Å; L204-I215 HydrophobicContact CD1-CG2 3.67Å; L204-I215 HydrophobicContact CD2-CD1 3.78Å; L204-I215 HydrophobicContact CG-CD1 3.73Å; L204-I215 HydrophobicContact CG-CG1 4.22Å
205L91.7Very high87.8Confident0 Ų035.9 Ų35.90%017%0.173CC..Hα-helixtrans-71.1-21.4173.6-58.1174.5000111.7R200 A201 P202 P246 Y247 H248 Q251 L252 I255R200-L205 HydrophobicContact CB-CD2 4.37Å; R200-L205 HydrophobicContact CG-CD2 4.1Å; R200-L205 HydrophobicContact CG-CG 4.39Å; A201-L205 PolarHBondContact O-N 3.29Å; P202-L205 CarbonylContact O-C 3.47Å; P202-L205 WeakPolarHBondContact O-CB 3.47Å; P202-L205 PolarHBondContact O-N 2.91Å; P202-L205 VanDerWaalsContact O-N 3.1Å; L205-P246 WeakPolarHBondContact CA-O 3.37Å; L205-Y247 WeakPolarHBondContact O-CA 3.45Å; L205-H248 HydrophobicContact CD2-CB 4.28Å; L205-Q251 HydrophobicContact CD1-CB 4.24Å; L205-Q251 HydrophobicContact CD1-CG 3.65Å; L205-Q251 HydrophobicContact CD2-CG 4.21Å; L205-L252 HydrophobicContact CB-CD1 4.3Å; L205-L252 HydrophobicContact CB-CD2 3.87Å; L205-L252 HydrophobicContact CB-CG 3.97Å; L205-L252 HydrophobicContact CD1-CD2 3.95Å; L205-L252 HydrophobicContact CD1-CG 4.09Å; L205-I255 HydrophobicContact CD1-CD1 3.58Å
206L93.7Very high89.6Confident1 Ų132.4 Ų32.41%0.00515%0.152CC..THydrogen-bonded Turntrans-95.513.1174.8-63176000113.4P202 E203 L204 Y247 L252 W267 I270 M273 P274 E275 L279P202-L206 WeakPolarHBondContact O-CG 3.43Å; P202-L206 PolarHBondContact O-N 3.16Å; E203-L206 CarbonylContact O-C 3.58Å; E203-L206 PolarHBondContact O-N 3.12Å; L204-L206 PolarHBondContact O-N 3.27Å; L206-Y247 HydrophobicContact CD2-CE2 4.38Å; L206-L252 HydrophobicContact CD2-CD1 3.92Å; L206-L252 HydrophobicContact CD2-CD2 4.4Å; L206-L252 HydrophobicContact CG-CD2 4.48Å; L206-W267 HydrophobicContact CD1-CH2 3.71Å; L206-W267 HydrophobicContact CD1-CZ3 3.88Å; L206-I270 HydrophobicContact CD1-CD1 4.24Å; L206-I270 HydrophobicContact CD1-CG1 3.98Å; L206-M273 HydrophobicContact CB-CB 3.82Å; L206-M273 HydrophobicContact CB-CG 3.98Å; L206-M273 HydrophobicContact CB-SD 4.49Å; L206-M273 HydrophobicContact CD1-CG 4.21Å; L206-P274 WeakPolarHBondContact O-CD 3.38Å; L206-E275 HydrophobicContact CD2-CB 4.42Å; L206-E275 WeakPolarHBondContact O-CB 3.43Å; L206-E275 PolarHBondContact O-N 2.99Å; L206-E275 VanDerWaalsContact O-N 3.08Å; L206-L279 HydrophobicContact CD1-CD2 4.25Å; L206-L279 HydrophobicContact CD2-CB 4.03Å; L206-L279 HydrophobicContact CD2-CD1 4.13Å; L206-L279 HydrophobicContact CD2-CD2 4.02Å; L206-L279 HydrophobicContact CD2-CG 4.28Å
207G88.9Confident91.1Very high9 Ų930.1 Ų30.19%0.09314%0.137CC..THydrogen-bonded Turntrans86.816.8171.500000115.5E203 L204 R209 P274E203-G207 PolarHBondContact O-N 3.3Å; L204-G207 PolarHBondContact O-N 2.99Å; G207-R209 PolarHBondContact O-N 2.88Å; G207-P274 WeakPolarHBondContact O-CG 3.46Å
208A88.3Confident91.9Very high21 Ų2129 Ų2917%0.17413%0.133CC..  trans-53.6128.5173.600000111.2E203 M273E203-A208 HydrophobicContact CB-CB 4.11Å; E203-A208 HydrophobicContact CG-CB 4.37Å; E203-A208 WeakPolarHBondContact O-CB 3.28Å; E203-A208 PolarHBondContact O-N 3Å; A208-M273 HydrophobicContact CB-SD 4.37Å
209R81Confident92.2Very high171 Ų17126.7 Ų26.765%0.64513%0.125SC*.  trans-91.1-1.3-173-63.4-173.7178.1-175.2-1.5114.5L187 G207L187-R209 WeakPolarHBondContact CB-O 3.27Å; L187-R209 VanDerWaalsContact CD1-C 3.49Å; L187-R209 VanDerWaalsContact CD1-O 3.29Å; L187-R209 WeakPolarHBondContact CD1-O 3.17Å; L187-R209 WeakPolarHBondContact CG-O 3.41Å; L187-R209 PolarHBondContact N-O 3.31Å; G207-R209 PolarHBondContact O-N 2.88Å
210H80.4Confident92.4Very high68 Ų6825.6 Ų25.632%0.31512%0.12SC..SBendtrans-129.2132.3-176.5-59.6-65.3000110.1L184 K185L184-H210 HydrophobicContact CB-CB 4.4Å; L184-H210 HydrophobicContact CD1-CB 4.2Å; L184-H210 PolarHBondContact O-CE1 3.44Å; K185-H210 PolarHBondContact O-ND1 3Å
211Y79.7Confident92.8Very high37 Ų3723 Ų2315%0.14511%0.11CC..  trans-78.1140.6167.6-76.8-102.8000109.9L148 R150 L187 L204 I215L148-Y211 WeakPolarHBondContact CD1-O 3.38Å; R150-Y211 HydrophobicContact CB-CD1 3.76Å; R150-Y211 HydrophobicContact CB-CE1 3.71Å; R150-Y211 HydrophobicContact CG-CD1 3.5Å; R150-Y211 VanDerWaalsContact CG-CD1 3.5Å; R150-Y211 HydrophobicContact CG-CE1 3.99Å; R150-Y211 HydrophobicContact CG-CG 3.95Å; R150-Y211 VanDerWaalsContact NE-CD1 3.35Å; R150-Y211 VanDerWaalsContact NE-CD2 3.29Å; R150-Y211 VanDerWaalsContact NH2-CZ 3.32Å; L187-Y211 HydrophobicContact CD1-CD2 3.59Å; L187-Y211 HydrophobicContact CD1-CE2 3.35Å; L187-Y211 HydrophobicContact CD2-CD2 3.45Å; L187-Y211 VanDerWaalsContact CD2-CD2 3.45Å; L187-Y211 HydrophobicContact CD2-CE2 3.28Å; L187-Y211 HydrophobicContact CG-CD2 3.86Å; L187-Y211 HydrophobicContact CG-CE2 3.84Å; L204-Y211 HydrophobicContact CD1-CD1 4.42Å; L204-Y211 HydrophobicContact CD1-CE1 3.83Å; L204-Y211 HydrophobicContact CD2-CE1 4.35Å; L204-Y211 HydrophobicContact CD2-CE2 4.3Å; Y211-I215 HydrophobicContact CD1-CD1 3.77Å; Y211-I215 HydrophobicContact CD1-CG2 4.23Å; Y211-I215 HydrophobicContact CE1-CG2 4.47Å; Y211-I215 HydrophobicContact CG-CD1 4.1Å
212T89.6Confident92.9Very high50 Ų5023 Ų2331%0.30711%0.111SC..  trans-131.5163.7-179.867.30000109.3A214 I215T212-A214 PolarHBondContact O-N 3.46Å; T212-A214 PolarHBondContact OG1-N 3.26Å; T212-I215 PolarHBondContact O-N 3.12Å
213K94.3Very high93Very high85 Ų8523 Ų2337%0.3711%0.111SC..Hα-helixtrans-54.1-36.5171.2-65.7-178.1178.6-173.90111.8H143 L148 I215 D216 I217H143-K213 HydrophobicContact CB-CD 3.93Å; H143-K213 HydrophobicContact CB-CG 4.28Å; H143-K213 PolarHBondContact CE1-O 2.94Å; H143-K213 WeakPolarHBondContact O-CE 3.19Å; H143-K213 PolarHBondContact O-NZ 3.2Å; L148-K213 HydrophobicContact CD2-CB 4.38Å; L148-K213 HydrophobicContact CD2-CG 3.75Å; K213-I215 PolarHBondContact O-N 3.13Å; K213-D216 PolarHBondContact O-N 3.37Å; K213-D216 VanDerWaalsContact O-N 3.16Å; K213-I217 WeakPolarHBondContact O-CG1 3.31Å; K213-I217 PolarHBondContact O-N 2.93Å
214A96.6Very high93.2Very high15 Ų1522.8 Ų22.812%0.12411%0.11CC..Hα-helixtrans-60.4-30.1-178.200000113T212 I217 W218 P320 R323T212-A214 PolarHBondContact O-N 3.46Å; T212-A214 PolarHBondContact OG1-N 3.26Å; A214-I217 PolarHBondContact O-N 3.25Å; A214-W218 PolarHBondContact O-N 2.99Å; A214-P320 HydrophobicContact CB-CB 3.95Å; A214-R323 VanDerWaalsContact O-CD 3.31Å; A214-R323 WeakPolarHBondContact O-CD 3.14Å; A214-R323 PolarHBondContact O-NH1 2.99Å
215I94.7Very high93.5Very high6 Ų622.6 Ų22.63%0.03111%0.109CC..Hα-helixtrans-65.7-43.8177.8-67.1165.9000110.8A201 E203 L204 Y211 T212 K213 I217 W218 A219A201-I215 HydrophobicContact CB-CB 4.48Å; A201-I215 HydrophobicContact CB-CG1 4.19Å; A201-I215 HydrophobicContact CB-CG2 4.38Å; E203-I215 HydrophobicContact CG-CG1 4.46Å; E203-I215 WeakPolarHBondContact OE1-CG1 3.49Å; L204-I215 HydrophobicContact CD1-CD1 3.89Å; L204-I215 HydrophobicContact CD1-CG1 4.27Å; L204-I215 HydrophobicContact CD1-CG2 3.67Å; L204-I215 HydrophobicContact CD2-CD1 3.78Å; L204-I215 HydrophobicContact CG-CD1 3.73Å; L204-I215 HydrophobicContact CG-CG1 4.22Å; Y211-I215 HydrophobicContact CD1-CD1 3.77Å; Y211-I215 HydrophobicContact CD1-CG2 4.23Å; Y211-I215 HydrophobicContact CE1-CG2 4.47Å; Y211-I215 HydrophobicContact CG-CD1 4.1Å; T212-I215 PolarHBondContact O-N 3.12Å; K213-I215 PolarHBondContact O-N 3.13Å; I215-I217 VanDerWaalsContact C-N 3.28Å; I215-I217 PolarHBondContact O-N 2.83Å; I215-W218 PolarHBondContact O-N 3Å; I215-A219 PolarHBondContact O-N 2.86Å; I215-A219 VanDerWaalsContact O-N 3.16Å
216D96.8Very high93.8Very high2 Ų222.9 Ų22.91%0.01111%0.11CC..Hα-helixtrans-63.1-39.1175.1-69.2-24.9000110.4I139 H143 H149 R150 L152 K213 W218 A219 I220I139-D216 HydrophobicContact CD1-CB 4.15Å; I139-D216 HydrophobicContact CG1-CB 4.08Å; H143-D216 IonicContact CD2-OD2 3.14Å; H143-D216 IonicContact CE1-OD2 2.82Å; H143-D216 IonicContact NE2-OD2 3.61Å; H143-D216 PolarHBondContact NE2-OD2 3.25Å; H149-D216 PolarHBondContact N-OD2 3.35Å; R150-D216 PolarHBondContact N-OD1 3.04Å; L152-D216 HydrophobicContact CD1-CB 3.83Å; K213-D216 PolarHBondContact O-N 3.37Å; K213-D216 VanDerWaalsContact O-N 3.16Å; D216-W218 PolarHBondContact O-N 3.5Å; D216-A219 PolarHBondContact O-N 3.43Å; D216-I220 WeakPolarHBondContact O-CG1 3.22Å; D216-I220 PolarHBondContact O-N 2.94Å
217I98.8Very high94Very high2 Ų222.9 Ų22.91%0.0111%0.11CC..Hα-helixtrans-63.4-40.8176.8-58.1-53.6000112.2K213 A214 I215 A219 I220 G221 L315 R323 I324K213-I217 WeakPolarHBondContact O-CG1 3.31Å; K213-I217 PolarHBondContact O-N 2.93Å; A214-I217 PolarHBondContact O-N 3.25Å; I215-I217 VanDerWaalsContact C-N 3.28Å; I215-I217 PolarHBondContact O-N 2.83Å; I217-A219 VanDerWaalsContact C-N 3.35Å; I217-A219 PolarHBondContact O-N 3.35Å; I217-I220 HydrophobicContact CD1-CD1 4.43Å; I217-I220 PolarHBondContact O-N 3.27Å; I217-G221 PolarHBondContact O-N 3.45Å; I217-L315 HydrophobicContact CG2-CB 4.47Å; I217-L315 HydrophobicContact CG2-CD2 3.49Å; I217-L315 VanDerWaalsContact CG2-CD2 3.49Å; I217-R323 HydrophobicContact CB-CG 4.44Å; I217-R323 HydrophobicContact CG2-CG 3.96Å; I217-I324 HydrophobicContact CG2-CG2 4.47Å; I217-I324 WeakPolarHBondContact CG2-O 3.37Å
218W98.7Very high94.4Very high0 Ų024 Ų240%011%0.114CC..Hα-helixtrans-59.7-47.1174.8175.4-87.3000111.2R200 A201 P202 A214 I215 D216 I220 G221 C222 F234 I255 L316 M318R200-W218 PolarHBondContact O-NE1 3.25Å; R200-W218 VanDerWaalsContact O-NE1 3.17Å; A201-W218 HydrophobicContact CB-CB 3.8Å; A201-W218 HydrophobicContact CB-CD2 4.32Å; A201-W218 HydrophobicContact CB-CG 3.69Å; P202-W218 HydrophobicContact CG-CH2 4.14Å; P202-W218 HydrophobicContact CG-CZ2 4.39Å; P202-W218 HydrophobicContact CG-CZ3 4.2Å; A214-W218 PolarHBondContact O-N 2.99Å; I215-W218 PolarHBondContact O-N 3Å; D216-W218 PolarHBondContact O-N 3.5Å; W218-I220 VanDerWaalsContact C-N 3.28Å; W218-I220 PolarHBondContact O-N 2.96Å; W218-G221 WeakPolarHBondContact O-CA 3.44Å; W218-G221 PolarHBondContact O-N 3.23Å; W218-C222 PolarHBondContact O-N 2.97Å; W218-C222 PolarHBondContact O-SG 3.11Å; W218-F234 AromaticContact CE2-CE2 3.8Å; W218-F234 HydrophobicContact CH2-CE2 4.02Å; W218-F234 AromaticContact CH2-CZ 3.95Å; W218-F234 HydrophobicContact CH2-CZ 3.95Å; W218-F234 HydrophobicContact CZ2-CD2 4.02Å; W218-F234 AromaticContact CZ2-CE2 3.28Å; W218-F234 HydrophobicContact CZ2-CE2 3.28Å; W218-F234 AromaticContact CZ2-CZ 3.65Å; W218-F234 HydrophobicContact CZ2-CZ 3.65Å; W218-I255 HydrophobicContact CH2-CG2 4.27Å; W218-I255 HydrophobicContact CZ2-CD1 4.26Å; W218-I255 HydrophobicContact CZ2-CG1 4.46Å; W218-I255 HydrophobicContact CZ2-CG2 4.36Å; W218-L316 HydrophobicContact CD2-CD2 3.99Å; W218-L316 HydrophobicContact CE3-CD2 4.01Å; W218-L316 HydrophobicContact CH2-CD2 4.43Å; W218-L316 HydrophobicContact CZ2-CD2 4.41Å; W218-L316 HydrophobicContact CZ3-CB 4.35Å; W218-L316 HydrophobicContact CZ3-CD2 4.24Å; W218-L316 WeakPolarHBondContact CZ3-O 3.4Å; W218-M318 HydrophobicContact CH2-CG 4.41Å; W218-M318 HydrophobicContact CZ3-CG 4.37Å
219A98.2Very high94.8Very high4 Ų423.3 Ų23.33%0.03311%0.108CC..Hα-helixtrans-59.6-38.6177.300000112.1L152 I215 D216 I217 C222 I223L152-A219 HydrophobicContact CB-CB 3.76Å; I215-A219 PolarHBondContact O-N 2.86Å; I215-A219 VanDerWaalsContact O-N 3.16Å; D216-A219 PolarHBondContact O-N 3.43Å; I217-A219 VanDerWaalsContact C-N 3.35Å; I217-A219 PolarHBondContact O-N 3.35Å; A219-C222 WeakPolarHBondContact O-CB 3.46Å; A219-C222 PolarHBondContact O-N 3.17Å; A219-I223 WeakPolarHBondContact O-CG1 3.44Å; A219-I223 PolarHBondContact O-N 3.09Å
220I98.9Very high95.4Very high0 Ų015.5 Ų15.50%08%0.079CC..Hα-helixtrans-64.2-40.7173.2-67.6168000111.3L132 I135 L136 I139 L152 D216 I217 W218 C222 I223 F224L132-I220 HydrophobicContact CD1-CG2 3.62Å; I135-I220 HydrophobicContact CG2-CD1 3.97Å; I135-I220 HydrophobicContact CG2-CG1 3.82Å; I135-I220 HydrophobicContact CG2-CG2 4.31Å; L136-I220 HydrophobicContact CD2-CD1 4.33Å; L136-I220 HydrophobicContact CD2-CG2 4.04Å; L136-I220 HydrophobicContact CG-CG2 4.49Å; I139-I220 HydrophobicContact CB-CD1 3.98Å; I139-I220 HydrophobicContact CG1-CD1 4.1Å; I139-I220 HydrophobicContact CG2-CD1 3.54Å; L152-I220 HydrophobicContact CD1-CD1 3.95Å; L152-I220 HydrophobicContact CD1-CG1 3.77Å; D216-I220 WeakPolarHBondContact O-CG1 3.22Å; D216-I220 PolarHBondContact O-N 2.94Å; I217-I220 HydrophobicContact CD1-CD1 4.43Å; I217-I220 PolarHBondContact O-N 3.27Å; W218-I220 VanDerWaalsContact C-N 3.28Å; W218-I220 PolarHBondContact O-N 2.96Å; I220-C222 VanDerWaalsContact C-N 3.31Å; I220-C222 PolarHBondContact O-N 3.36Å; I220-I223 PolarHBondContact O-N 3.29Å; I220-F224 WeakPolarHBondContact O-CB 3.39Å; I220-F224 PolarHBondContact O-N 2.97Å
221G98.9Very high96.1Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-57.7-42.9171.600000112.4I217 W218 F224 A225 L312I217-G221 PolarHBondContact O-N 3.45Å; W218-G221 WeakPolarHBondContact O-CA 3.44Å; W218-G221 PolarHBondContact O-N 3.23Å; G221-F224 PolarHBondContact O-N 2.82Å; G221-A225 PolarHBondContact O-N 3.1Å; G221-L312 WeakPolarHBondContact O-CD1 3.44Å
222C98.8Very high96.8Very high2 Ų214 Ų141%0.0147%0.074CC..Hα-helixtrans-61.9-46.7175-64.30000112Y199 W218 A219 I220 F224 A225 E226 I233 F234Y199-C222 HydrophobicContact CD1-CB 3.65Å; Y199-C222 HydrophobicContact CE1-CB 4.31Å; W218-C222 PolarHBondContact O-N 2.97Å; W218-C222 PolarHBondContact O-SG 3.11Å; A219-C222 WeakPolarHBondContact O-CB 3.46Å; A219-C222 PolarHBondContact O-N 3.17Å; I220-C222 VanDerWaalsContact C-N 3.31Å; I220-C222 PolarHBondContact O-N 3.36Å; C222-F224 VanDerWaalsContact C-N 3.31Å; C222-F224 PolarHBondContact O-N 2.94Å; C222-A225 PolarHBondContact O-N 3.42Å; C222-E226 WeakPolarHBondContact O-CB 3.18Å; C222-E226 PolarHBondContact O-N 3.34Å; C222-I233 HydrophobicContact CB-CG2 4.18Å; C222-F234 WeakPolarHBondContact SG-CD2 3.45Å; C222-F234 WeakPolarHBondContact SG-CE2 3.16Å
223I98.8Very high97.2Very high1 Ų111.8 Ų11.81%0.0056%0.06CC..Hα-helixtrans-61.1-42.4176.9-67.3164.3000110.2L104 I135 L152 P154 I157 Y199 A219 I220 E226 L227L104-I223 HydrophobicContact CD1-CG2 3.73Å; I135-I223 HydrophobicContact CD1-CG2 4.25Å; L152-I223 HydrophobicContact CB-CD1 4.43Å; P154-I223 HydrophobicContact CG-CG1 4.3Å; I157-I223 HydrophobicContact CG1-CD1 4.16Å; Y199-I223 HydrophobicContact CD1-CG1 4.18Å; Y199-I223 HydrophobicContact CE1-CG1 4.24Å; A219-I223 WeakPolarHBondContact O-CG1 3.44Å; A219-I223 PolarHBondContact O-N 3.09Å; I220-I223 PolarHBondContact O-N 3.29Å; I223-E226 PolarHBondContact O-N 2.68Å; I223-L227 HydrophobicContact CG2-CD1 4.08Å; I223-L227 HydrophobicContact CG2-CG 4.34Å; I223-L227 WeakPolarHBondContact O-CG 3.34Å; I223-L227 PolarHBondContact O-N 2.85Å
224F98.8Very high97.3Very high0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-64.1-45.4179.3-176.5-150.5000112V128 L132 I220 G221 C222 E226 L227 L228 A308 L311 L312 L315 Y334V128-F224 HydrophobicContact CG1-CD2 4.02Å; V128-F224 HydrophobicContact CG1-CE2 3.78Å; L132-F224 HydrophobicContact CB-CD2 4.49Å; L132-F224 HydrophobicContact CD1-CB 4.01Å; L132-F224 HydrophobicContact CD1-CG 4.15Å; L132-F224 HydrophobicContact CD2-CB 4.49Å; L132-F224 HydrophobicContact CD2-CD1 3.69Å; L132-F224 HydrophobicContact CD2-CD2 3.77Å; L132-F224 HydrophobicContact CD2-CE1 3.68Å; L132-F224 HydrophobicContact CD2-CE2 3.77Å; L132-F224 HydrophobicContact CD2-CG 3.73Å; L132-F224 HydrophobicContact CD2-CZ 3.72Å; L132-F224 HydrophobicContact CG-CD2 4.47Å; L132-F224 HydrophobicContact CG-CG 4.46Å; I220-F224 WeakPolarHBondContact O-CB 3.39Å; I220-F224 PolarHBondContact O-N 2.97Å; G221-F224 PolarHBondContact O-N 2.82Å; C222-F224 VanDerWaalsContact C-N 3.31Å; C222-F224 PolarHBondContact O-N 2.94Å; F224-E226 VanDerWaalsContact C-N 3.27Å; F224-E226 PolarHBondContact O-N 3.48Å; F224-L227 PolarHBondContact O-N 3.14Å; F224-L228 HydrophobicContact CD1-CD1 4.5Å; F224-L228 HydrophobicContact CD2-CD1 4Å; F224-L228 HydrophobicContact CD2-CG 4.02Å; F224-L228 HydrophobicContact CE1-CD1 4.28Å; F224-L228 HydrophobicContact CE2-CD1 3.74Å; F224-L228 HydrophobicContact CE2-CD2 3.99Å; F224-L228 HydrophobicContact CE2-CG 3.81Å; F224-L228 HydrophobicContact CG-CD1 4.38Å; F224-L228 HydrophobicContact CZ-CD1 3.9Å; F224-L228 HydrophobicContact CZ-CG 4.42Å; F224-L228 VanDerWaalsContact O-CG 3.3Å; F224-L228 WeakPolarHBondContact O-CG 3.47Å; F224-L228 PolarHBondContact O-N 3.45Å; F224-A308 VanDerWaalsContact CE1-O 3.3Å; F224-A308 WeakPolarHBondContact CE1-O 3.3Å; F224-A308 HydrophobicContact CZ-CB 4.1Å; F224-L311 HydrophobicContact CE1-CB 4.43Å; F224-L311 HydrophobicContact CE1-CD2 4.39Å; F224-L311 HydrophobicContact CE1-CG 4.35Å; F224-L312 HydrophobicContact CB-CD1 4.17Å; F224-L312 HydrophobicContact CD1-CB 3.85Å; F224-L312 HydrophobicContact CD1-CD1 3.77Å; F224-L312 HydrophobicContact CD1-CG 4.38Å; F224-L312 HydrophobicContact CE1-CB 3.88Å; F224-L312 HydrophobicContact CG-CD1 4.28Å; F224-L315 HydrophobicContact CD1-CD1 4Å; F224-Y334 HydrophobicContact CE2-CE1 4.31Å; F224-Y334 AromaticContact CZ-CE1 3.88Å; F224-Y334 HydrophobicContact CZ-CE1 3.88Å
225A98.6Very high97.1Very high0 Ų010.6 Ų10.60%05%0.053CC..Hα-helixtrans-58.9-40173.300000111.9G221 C222 L228 T229 I233 L312G221-A225 PolarHBondContact O-N 3.1Å; C222-A225 PolarHBondContact O-N 3.42Å; A225-L228 PolarHBondContact O-N 3.11Å; A225-T229 WeakPolarHBondContact O-CB 3.31Å; A225-T229 VanDerWaalsContact O-CG2 3.32Å; A225-T229 WeakPolarHBondContact O-CG2 3.28Å; A225-T229 PolarHBondContact O-N 2.97Å; A225-T229 PolarHBondContact O-OG1 3.33Å; A225-I233 HydrophobicContact CB-CB 3.8Å; A225-I233 HydrophobicContact CB-CD1 3.68Å; A225-I233 HydrophobicContact CB-CG1 4.33Å; A225-I233 HydrophobicContact CB-CG2 3.87Å; A225-L312 HydrophobicContact CB-CD1 3.97Å; A225-L312 HydrophobicContact CB-CD2 4.04Å
226E98.1Very high96.6Very high6 Ų611.1 Ų11.13%0.0286%0.057CC..Hα-helixtrans-70.1-36.6178.3-172.3168.9-168.200112.6I108 R112 Y199 C222 I223 F224 L228 T229 S230 E231I108-E226 HydrophobicContact CD1-CG 3.88Å; I108-E226 HydrophobicContact CG1-CG 4.49Å; I108-E226 HydrophobicContact CG2-CG 3.86Å; R112-E226 IonicContact CZ-OE1 3.26Å; R112-E226 IonicContact NH2-OE1 3.76Å; R112-E226 PolarHBondContact NH2-OE1 3.06Å; Y199-E226 PolarHBondContact OH-OE2 3.47Å; C222-E226 WeakPolarHBondContact O-CB 3.18Å; C222-E226 PolarHBondContact O-N 3.34Å; I223-E226 PolarHBondContact O-N 2.68Å; F224-E226 VanDerWaalsContact C-N 3.27Å; F224-E226 PolarHBondContact O-N 3.48Å; E226-L228 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.39Å; E226-T229 PolarHBondContact O-N 2.91Å; E226-S230 WeakPolarHBondContact O-CA 3.41Å; E226-S230 PolarHBondContact O-N 2.96Å; E226-E231 WeakPolarHBondContact CA-O 3.28Å; E226-E231 WeakPolarHBondContact CG-O 3.38Å
227L98.1Very high95.5Very high2 Ų220.6 Ų20.61%0.019%0.093CC..Hα-helixtrans-62.6-38.9172-72170.7000111.9L104 I108 L123 V128 L131 I223 F224L104-L227 HydrophobicContact CD1-CD1 4.27Å; L104-L227 HydrophobicContact CD1-CD2 4.22Å; L104-L227 HydrophobicContact CD2-CD2 4.06Å; I108-L227 HydrophobicContact CD1-CD2 4.05Å; I108-L227 HydrophobicContact CG1-CD2 4.05Å; L123-L227 HydrophobicContact CD2-CD2 3.55Å; V128-L227 HydrophobicContact CG1-CB 3.84Å; V128-L227 HydrophobicContact CG1-CD1 4.47Å; V128-L227 HydrophobicContact CG2-CB 4.21Å; L131-L227 HydrophobicContact CB-CD1 4.2Å; L131-L227 HydrophobicContact CD1-CD1 4.32Å; L131-L227 HydrophobicContact CD1-CD2 3.91Å; I223-L227 HydrophobicContact CG2-CD1 4.08Å; I223-L227 HydrophobicContact CG2-CG 4.34Å; I223-L227 WeakPolarHBondContact O-CG 3.34Å; I223-L227 PolarHBondContact O-N 2.85Å; F224-L227 PolarHBondContact O-N 3.14Å
228L97.1Very high93.8Very high32 Ų3227.1 Ų27.117%0.16812%0.124CC..Hα-helixtrans-70.5-34179-70.3169.7000113.1V128 F224 A225 E226 M297 V302 L312V128-L228 HydrophobicContact CG1-CD2 4.09Å; V128-L228 HydrophobicContact CG1-CG 4.42Å; F224-L228 HydrophobicContact CD1-CD1 4.5Å; F224-L228 HydrophobicContact CD2-CD1 4Å; F224-L228 HydrophobicContact CD2-CG 4.02Å; F224-L228 HydrophobicContact CE1-CD1 4.28Å; F224-L228 HydrophobicContact CE2-CD1 3.74Å; F224-L228 HydrophobicContact CE2-CD2 3.99Å; F224-L228 HydrophobicContact CE2-CG 3.81Å; F224-L228 HydrophobicContact CG-CD1 4.38Å; F224-L228 HydrophobicContact CZ-CD1 3.9Å; F224-L228 HydrophobicContact CZ-CG 4.42Å; F224-L228 VanDerWaalsContact O-CG 3.3Å; F224-L228 WeakPolarHBondContact O-CG 3.47Å; F224-L228 PolarHBondContact O-N 3.45Å; A225-L228 PolarHBondContact O-N 3.11Å; E226-L228 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.39Å; L228-M297 HydrophobicContact CB-CE 4.29Å; L228-M297 HydrophobicContact CD1-CE 4Å; L228-V302 HydrophobicContact CB-CG2 4.16Å; L228-L312 HydrophobicContact CD1-CD2 4.21Å
229T95.4Very high91.8Very high7 Ų731.6 Ų31.64%0.04314%0.144CC..Hα-helixtrans-112.6-13.3-169.265.20000114.4A225 E226 E231 M297 H300A225-T229 WeakPolarHBondContact O-CB 3.31Å; A225-T229 VanDerWaalsContact O-CG2 3.32Å; A225-T229 WeakPolarHBondContact O-CG2 3.28Å; A225-T229 PolarHBondContact O-N 2.97Å; A225-T229 PolarHBondContact O-OG1 3.33Å; E226-T229 PolarHBondContact O-N 2.91Å; T229-E231 PolarHBondContact O-N 3.14Å; T229-E231 PolarHBondContact OG1-N 3.22Å; T229-E231 PolarHBondContact OG1-O 2.73Å; T229-E231 VanDerWaalsContact OG1-O 3.07Å; T229-M297 HydrophobicContact CG2-CE 3.85Å; T229-M297 HydrophobicContact CG2-SD 4.23Å; T229-H300 HydrophobicContact CG2-CB 3.56Å
230S95.3Very high89.5Confident7 Ų737.3 Ų37.35%0.04917%0.174CC..SBendtrans59.114.8-166.2-49.30000114.4R112 E226R112-S230 VanDerWaalsContact CZ-O 3.29Å; R112-S230 PolarHBondContact NE-O 3.01Å; R112-S230 PolarHBondContact NH2-O 3.38Å; E226-S230 WeakPolarHBondContact O-CA 3.41Å; E226-S230 PolarHBondContact O-N 2.96Å
231E93.5Very high87.4Confident66 Ų6639.7 Ų39.731%0.30819%0.187SC..SBendtrans-128.7138.7-177.4-69.4178.5-142.100110.6K115 E226 T229 I233 H300K115-E231 IonicContact NZ-OE1 2.72Å; K115-E231 PolarHBondContact NZ-OE1 3.13Å; E226-E231 WeakPolarHBondContact CA-O 3.28Å; E226-E231 WeakPolarHBondContact CG-O 3.38Å; T229-E231 PolarHBondContact O-N 3.14Å; T229-E231 PolarHBondContact OG1-N 3.22Å; T229-E231 PolarHBondContact OG1-O 2.73Å; T229-E231 VanDerWaalsContact OG1-O 3.07Å; E231-I233 PolarHBondContact O-N 3.3Å; E231-I233 VanDerWaalsContact O-N 3.12Å; E231-H300 IonicContact OE1-CE1 2.78Å; E231-H300 IonicContact OE2-CE1 3.32Å; E231-H300 PolarHBondContact OE2-CE1 3.4Å; E231-H300 VanDerWaalsContact OE2-CE1 3.26Å
232P95.6Very high85.1Confident8 Ų847.4 Ų47.45%0.05222%0.22CC..  trans-69.9116.9-179.7-1.319.5000107.4R112 W198 F234 H235R112-P232 VanDerWaalsContact NH2-CD 3.31Å; W198-P232 HydrophobicContact CE3-CB 3.92Å; W198-P232 HydrophobicContact CE3-CG 4.05Å; W198-P232 HydrophobicContact CZ3-CB 4.41Å; W198-P232 HydrophobicContact CZ3-CG 4.02Å; P232-F234 PolarHBondContact O-N 3.12Å; P232-H235 HydrophobicContact CB-CB 4Å; P232-H235 HydrophobicContact CG-CB 4.01Å; P232-H235 VanDerWaalsContact O-CB 3.29Å; P232-H235 WeakPolarHBondContact O-CB 3.33Å; P232-H235 PolarHBondContact O-N 2.72Å
233I97.8Very high83.1Confident2 Ų251.4 Ų51.41%0.0125%0.245CC..THydrogen-bonded Turntrans-55.1-42.8-171.3-179161.1000112C222 A225 E231 R254 V258 L293 Y296 M297 L316C222-I233 HydrophobicContact CB-CG2 4.18Å; A225-I233 HydrophobicContact CB-CB 3.8Å; A225-I233 HydrophobicContact CB-CD1 3.68Å; A225-I233 HydrophobicContact CB-CG1 4.33Å; A225-I233 HydrophobicContact CB-CG2 3.87Å; E231-I233 PolarHBondContact O-N 3.3Å; E231-I233 VanDerWaalsContact O-N 3.12Å; I233-R254 PolarHBondContact O-NE 2.76Å; I233-R254 VanDerWaalsContact O-NE 3.11Å; I233-R254 PolarHBondContact O-NH2 2.8Å; I233-V258 HydrophobicContact CD1-CG1 3.88Å; I233-V258 HydrophobicContact CG1-CG1 3.76Å; I233-L293 HydrophobicContact CD1-CD1 3.64Å; I233-Y296 HydrophobicContact CB-CE1 4.28Å; I233-Y296 HydrophobicContact CD1-CD1 4Å; I233-Y296 HydrophobicContact CD1-CE1 3.84Å; I233-Y296 HydrophobicContact CG1-CD1 4.12Å; I233-Y296 HydrophobicContact CG1-CE1 3.61Å; I233-M297 HydrophobicContact CD1-SD 4.49Å; I233-L316 HydrophobicContact CD1-CD1 3.83Å
234F96.6Very high81.5Confident1 Ų157.1 Ų57.10%0.00428%0.284CS..THydrogen-bonded Turntrans-105.135.7177.5-48.4-56.4000113.2W218 C222 P232 C236 Q251 R254 I255 V258 M259 L316W218-F234 AromaticContact CE2-CE2 3.8Å; W218-F234 HydrophobicContact CH2-CE2 4.02Å; W218-F234 AromaticContact CH2-CZ 3.95Å; W218-F234 HydrophobicContact CH2-CZ 3.95Å; W218-F234 HydrophobicContact CZ2-CD2 4.02Å; W218-F234 AromaticContact CZ2-CE2 3.28Å; W218-F234 HydrophobicContact CZ2-CE2 3.28Å; W218-F234 AromaticContact CZ2-CZ 3.65Å; W218-F234 HydrophobicContact CZ2-CZ 3.65Å; C222-F234 WeakPolarHBondContact SG-CD2 3.45Å; C222-F234 WeakPolarHBondContact SG-CE2 3.16Å; P232-F234 PolarHBondContact O-N 3.12Å; F234-C236 PolarHBondContact O-N 2.75Å; F234-C236 VanDerWaalsContact O-N 3.16Å; F234-Q251 PolarHBondContact O-NE2 3.22Å; F234-R254 HydrophobicContact CB-CG 4.21Å; F234-I255 HydrophobicContact CB-CG1 4.26Å; F234-I255 HydrophobicContact CD1-CB 4.3Å; F234-I255 HydrophobicContact CD1-CG1 3.78Å; F234-I255 HydrophobicContact CD2-CG1 4.31Å; F234-I255 HydrophobicContact CE1-CB 4.43Å; F234-I255 HydrophobicContact CE1-CG1 4.19Å; F234-I255 HydrophobicContact CE1-CG2 4.39Å; F234-I255 HydrophobicContact CG-CG1 3.86Å; F234-V258 HydrophobicContact CD1-CB 4.19Å; F234-V258 HydrophobicContact CD1-CG1 4.43Å; F234-V258 HydrophobicContact CD1-CG2 4.23Å; F234-V258 HydrophobicContact CE1-CB 3.85Å; F234-V258 HydrophobicContact CE1-CG1 3.79Å; F234-V258 HydrophobicContact CE1-CG2 4.37Å; F234-M259 HydrophobicContact CE1-CG 3.8Å; F234-M259 HydrophobicContact CE1-SD 4.08Å; F234-M259 HydrophobicContact CZ-CG 3.96Å; F234-M259 HydrophobicContact CZ-SD 3.91Å; F234-L316 HydrophobicContact CE2-CD1 4.47Å; F234-L316 HydrophobicContact CE2-CD2 4.03Å; F234-L316 HydrophobicContact CZ-CD1 4.26Å; F234-L316 HydrophobicContact CZ-CD2 4.4Å
235H92.4Very high80.4Confident74 Ų7460.2 Ų60.234%0.34330%0.301SS..  trans-53.7120.8172.7177.3-85.8000111.1W198 P232 R254W198-H235 AromaticContact CE2-CD2 3.87Å; W198-H235 AromaticContact CH2-CD2 3.6Å; W198-H235 AromaticContact CH2-NE2 3.99Å; W198-H235 AromaticContact CZ2-CD2 3.42Å; W198-H235 VanDerWaalsContact CZ2-CD2 3.42Å; W198-H235 WeakPolarHBondContact CZ2-CD2 3.41Å; W198-H235 AromaticContact CZ2-NE2 3.71Å; P232-H235 HydrophobicContact CB-CB 4Å; P232-H235 HydrophobicContact CG-CB 4.01Å; P232-H235 VanDerWaalsContact O-CB 3.29Å; P232-H235 WeakPolarHBondContact O-CB 3.33Å; P232-H235 PolarHBondContact O-N 2.72Å; H235-R254 WeakPolarHBondContact O-CD 3.4Å; H235-R254 WeakPolarHBondContact O-CG 3.49Å
236C84.3Confident79.6Confident17 Ų1762.2 Ų62.212%0.11531%0.314CS..  trans-128.7143.2176.2-172.50000109.3W198 F234 D250 R254W198-C236 PolarHBondContact NE1-O 2.72Å; F234-C236 PolarHBondContact O-N 2.75Å; F234-C236 VanDerWaalsContact O-N 3.16Å; C236-D250 VanDerWaalsContact SG-C 3.53Å; C236-D250 VanDerWaalsContact SG-CB 3.57Å; C236-D250 PolarHBondContact SG-O 2.91Å; C236-R254 HydrophobicContact CB-CB 4.47Å
237R72.8Confident79.1Confident202 Ų20262.9 Ų62.976%0.76232%0.316SS*.  trans-62.5142.8176.7-69.3-177.5177.4-179.5-0.6108.4E239R237-E239 PolarHBondContact O-N 2.94Å
238Q63.2Low78.6Confident139 Ų13963.7 Ų63.765%0.6532%0.32SS*.  trans-63103.2169.2-76.2173.9-900107.8
239E55.9Low78.3Confident94 Ų9465.5 Ų65.544%0.43933%0.328SS..  trans-64.8157.5156.8-64.6-170.8130.200108.2R237 I241 D250R237-E239 PolarHBondContact O-N 2.94Å; E239-I241 VanDerWaalsContact C-N 3.3Å; E239-I241 VanDerWaalsContact O-CG1 3.24Å; E239-I241 WeakPolarHBondContact O-CG1 3.46Å; E239-I241 PolarHBondContact O-N 2.95Å; E239-D250 HydrophobicContact CG-CB 4.43Å; E239-D250 VanDerWaalsContact OE1-OD2 3.07Å
240D50Low78Confident123 Ų12367.9 Ų67.966%0.65834%0.34SS*.  trans-56.296.4168.9-86.6-22.4000108.7K242D240-K242 HydrophobicContact CB-CD 3.85Å; D240-K242 HydrophobicContact CB-CG 4.04Å; D240-K242 PolarHBondContact O-N 3.17Å; D240-K242 WeakPolarHBondContact OD2-CE 3.39Å; D240-K242 IonicContact OD2-NZ 3.72Å; D240-K242 PolarHBondContact OD2-NZ 3.32Å
241I54.8Low77.9Confident51 Ų5168 Ų6826%0.26234%0.34SS..  trans-70.566.4178.6-48.7179.5000108.2V193 V195 F197 E239V193-I241 HydrophobicContact CG1-CG2 3.92Å; V195-I241 HydrophobicContact CB-CD1 4.31Å; V195-I241 HydrophobicContact CG1-CD1 3.91Å; V195-I241 WeakPolarHBondContact O-CD1 3.28Å; F197-I241 HydrophobicContact CE2-CD1 3.93Å; F197-I241 HydrophobicContact CE2-CG1 4.32Å; F197-I241 HydrophobicContact CE2-CG2 4.15Å; F197-I241 HydrophobicContact CZ-CG2 4.18Å; E239-I241 VanDerWaalsContact C-N 3.3Å; E239-I241 VanDerWaalsContact O-CG1 3.24Å; E239-I241 WeakPolarHBondContact O-CG1 3.46Å; E239-I241 PolarHBondContact O-N 2.95Å
242K51.3Low78Confident162 Ų16264.8 Ų64.870%0.70433%0.325SS*.  trans-96.4-8.3-176.6-74.7174.1179.8159.90112.2D240D240-K242 HydrophobicContact CB-CD 3.85Å; D240-K242 HydrophobicContact CB-CG 4.04Å; D240-K242 PolarHBondContact O-N 3.17Å; D240-K242 WeakPolarHBondContact OD2-CE 3.39Å; D240-K242 IonicContact OD2-NZ 3.72Å; D240-K242 PolarHBondContact OD2-NZ 3.32Å
243T56.3Low78Confident86 Ų8666.7 Ų66.753%0.52834%0.335SS..  trans-119134.9-175.771.90000111.1N245T243-N245 PolarHBondContact O-N 2.98Å; T243-N245 VanDerWaalsContact O-N 3.17Å
244S65.7Low77.9Confident120 Ų12070 Ų7084%0.83935%0.347SS*.  trans-72.18.2171.5510000113.1
245N76.7Confident78Confident66 Ų6670 Ų7035%0.35335%0.347SS..  trans-70.7130.5-178.8-174.6-7.1000109.8T243 Y247 H248T243-N245 PolarHBondContact O-N 2.98Å; T243-N245 VanDerWaalsContact O-N 3.17Å; N245-Y247 PolarHBondContact O-N 3.44Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.28Å; N245-Y247 PolarHBondContact OD1-N 2.95Å; N245-H248 PolarHBondContact O-CE1 3.46Å; N245-H248 VanDerWaalsContact O-CE1 3.26Å; N245-H248 PolarHBondContact O-NE2 3.05Å
246P80.1Confident78.2Confident41 Ų4166.6 Ų66.627%0.26633%0.331SS..SBendtrans-61.7-23.7172.625.1-36.4000114.2L205 H248L205-P246 WeakPolarHBondContact CA-O 3.37Å; P246-H248 PolarHBondContact O-CD2 2.86Å; P246-H248 PolarHBondContact O-N 2.89Å
247Y87.4Confident78.9Confident21 Ų2169.1 Ų69.18%0.08234%0.344CS..  trans-78.6116.3-177.5-169.5-99.2000112.5L205 L206 N245 H249 L252 E275 T278 D282 F283L205-Y247 WeakPolarHBondContact O-CA 3.45Å; L206-Y247 HydrophobicContact CD2-CE2 4.38Å; N245-Y247 PolarHBondContact O-N 3.44Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.28Å; N245-Y247 PolarHBondContact OD1-N 2.95Å; Y247-H249 HydrophobicContact CE1-CB 4.26Å; Y247-L252 HydrophobicContact CD2-CD1 3.93Å; Y247-L252 HydrophobicContact CE2-CD1 3.55Å; Y247-E275 HydrophobicContact CD2-CB 3.7Å; Y247-E275 HydrophobicContact CD2-CG 4.08Å; Y247-E275 HydrophobicContact CE2-CB 4.29Å; Y247-E275 HydrophobicContact CG-CG 4.49Å; Y247-T278 HydrophobicContact CD1-CG2 4.02Å; Y247-T278 HydrophobicContact CD2-CG2 4.41Å; Y247-T278 HydrophobicContact CE1-CG2 3.57Å; Y247-T278 HydrophobicContact CE2-CG2 4.02Å; Y247-T278 HydrophobicContact CG-CG2 4.38Å; Y247-D282 WeakPolarHBondContact CE1-OD2 3.37Å; Y247-D282 PolarHBondContact OH-OD2 3.23Å; Y247-F283 WeakPolarHBondContact OH-CE2 3.3Å
248H87.7Confident80.1Confident19 Ų1959.6 Ų59.69%0.08831%0.308CS..  trans-123.699.6177.4-58.8-67.4000110F197 L205 N245 P246 Q251 L252F197-H248 AromaticContact CD2-CD2 3.96Å; F197-H248 AromaticContact CE1-CD2 3.94Å; F197-H248 AromaticContact CE1-NE2 3.44Å; F197-H248 WeakPolarHBondContact CE1-NE2 3.48Å; F197-H248 AromaticContact CE2-CD2 3.87Å; F197-H248 AromaticContact CE2-CE1 3.5Å; F197-H248 VanDerWaalsContact CE2-CE1 3.5Å; F197-H248 WeakPolarHBondContact CE2-CE1 3.43Å; F197-H248 AromaticContact CE2-ND1 3.81Å; F197-H248 AromaticContact CE2-NE2 3.51Å; F197-H248 AromaticContact CZ-CD2 3.85Å; F197-H248 AromaticContact CZ-CE1 3.45Å; F197-H248 VanDerWaalsContact CZ-CE1 3.45Å; F197-H248 WeakPolarHBondContact CZ-CE1 3.43Å; F197-H248 AromaticContact CZ-NE2 3.15Å; F197-H248 WeakPolarHBondContact CZ-NE2 3.38Å; L205-H248 HydrophobicContact CD2-CB 4.28Å; N245-H248 PolarHBondContact O-CE1 3.46Å; N245-H248 VanDerWaalsContact O-CE1 3.26Å; N245-H248 PolarHBondContact O-NE2 3.05Å; P246-H248 PolarHBondContact O-CD2 2.86Å; P246-H248 PolarHBondContact O-N 2.89Å; H248-Q251 HydrophobicContact CB-CB 3.96Å; H248-Q251 PolarHBondContact O-N 3.41Å; H248-L252 PolarHBondContact O-N 3.3Å; H248-L252 VanDerWaalsContact O-N 3.13Å
249H91.3Very high81.8Confident70 Ų7054.3 Ų54.332%0.32428%0.283SS..Hα-helixtrans-54-57.1-174.6174.6-84.7000112.3Y247 Q251 L252 D253 F283Y247-H249 HydrophobicContact CE1-CB 4.26Å; H249-Q251 PolarHBondContact O-N 2.89Å; H249-L252 WeakPolarHBondContact O-CB 3.35Å; H249-L252 PolarHBondContact O-N 3.06Å; H249-D253 PolarHBondContact O-N 2.66Å; H249-F283 AromaticContact CD2-CE2 3.67Å; H249-F283 AromaticContact CD2-CZ 3.5Å; H249-F283 AromaticContact NE2-CZ 3.6Å
250D90.4Very high83.8Confident57 Ų5750.2 Ų50.231%0.30527%0.266SS..Hα-helixtrans-65.3-27.9-174.6-78.311.6000112.8C236 E239 R254C236-D250 VanDerWaalsContact SG-C 3.53Å; C236-D250 VanDerWaalsContact SG-CB 3.57Å; C236-D250 PolarHBondContact SG-O 2.91Å; E239-D250 HydrophobicContact CG-CB 4.43Å; E239-D250 VanDerWaalsContact OE1-OD2 3.07Å; D250-R254 WeakPolarHBondContact O-CB 3.45Å; D250-R254 PolarHBondContact O-N 2.92Å
251Q92.1Very high86.1Confident8 Ų845.5 Ų45.54%0.03724%0.24CC..Hα-helixtrans-70.9-41174.6-172.56176.400111.7F197 L205 F234 H248 H249 R254 I255F197-Q251 HydrophobicContact CB-CG 3.89Å; L205-Q251 HydrophobicContact CD1-CB 4.24Å; L205-Q251 HydrophobicContact CD1-CG 3.65Å; L205-Q251 HydrophobicContact CD2-CG 4.21Å; F234-Q251 PolarHBondContact O-NE2 3.22Å; H248-Q251 HydrophobicContact CB-CB 3.96Å; H248-Q251 PolarHBondContact O-N 3.41Å; H249-Q251 PolarHBondContact O-N 2.89Å; Q251-R254 PolarHBondContact O-N 3.33Å; Q251-I255 WeakPolarHBondContact O-CG1 3.06Å; Q251-I255 PolarHBondContact O-N 3.06Å; Q251-I255 VanDerWaalsContact O-N 3.12Å
252L95.1Very high88.1Confident0 Ų043.3 Ų43.30%023%0.229CC..Hα-helixtrans-66.4-44.6173.9-77.6167.8000111.3L205 L206 Y247 H248 H249 R254 I255 F256 L279 F283L205-L252 HydrophobicContact CB-CD1 4.3Å; L205-L252 HydrophobicContact CB-CD2 3.87Å; L205-L252 HydrophobicContact CB-CG 3.97Å; L205-L252 HydrophobicContact CD1-CD2 3.95Å; L205-L252 HydrophobicContact CD1-CG 4.09Å; L206-L252 HydrophobicContact CD2-CD1 3.92Å; L206-L252 HydrophobicContact CD2-CD2 4.4Å; L206-L252 HydrophobicContact CG-CD2 4.48Å; Y247-L252 HydrophobicContact CD2-CD1 3.93Å; Y247-L252 HydrophobicContact CE2-CD1 3.55Å; H248-L252 PolarHBondContact O-N 3.3Å; H248-L252 VanDerWaalsContact O-N 3.13Å; H249-L252 WeakPolarHBondContact O-CB 3.35Å; H249-L252 PolarHBondContact O-N 3.06Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 3.37Å; L252-I255 WeakPolarHBondContact O-CB 3.33Å; L252-I255 PolarHBondContact O-N 2.94Å; L252-F256 HydrophobicContact CB-CE2 3.91Å; L252-F256 HydrophobicContact CB-CZ 4.36Å; L252-F256 HydrophobicContact CD2-CE2 4.39Å; L252-F256 HydrophobicContact CD2-CZ 3.99Å; L252-F256 WeakPolarHBondContact O-CD2 3.46Å; L252-F256 WeakPolarHBondContact O-CG 3.47Å; L252-F256 PolarHBondContact O-N 3.48Å; L252-L279 HydrophobicContact CD1-CD1 4.4Å; L252-F283 HydrophobicContact CB-CE2 4.23Å; L252-F283 HydrophobicContact CB-CZ 3.93Å
253D95.6Very high90.2Very high48 Ų4836.9 Ų36.926%0.25721%0.206SC..Hα-helixtrans-54.7-44.7174.5-178.861.8000111.2H249 I255 F256 N257 F283 Y288H249-D253 PolarHBondContact O-N 2.66Å; D253-I255 PolarHBondContact O-N 3.21Å; D253-F256 PolarHBondContact O-N 3.43Å; D253-N257 VanDerWaalsContact CG-ND2 3.32Å; D253-N257 WeakPolarHBondContact O-CB 3.3Å; D253-N257 PolarHBondContact O-N 3Å; D253-N257 PolarHBondContact O-ND2 3.17Å; D253-N257 PolarHBondContact OD1-ND2 3.3Å; D253-N257 PolarHBondContact OD2-ND2 2.89Å; D253-F283 HydrophobicContact CB-CE1 3.78Å; D253-F283 HydrophobicContact CB-CZ 4.2Å; D253-Y288 WeakPolarHBondContact OD1-CE1 3.32Å; D253-Y288 PolarHBondContact OD1-OH 2.86Å
254R96.4Very high92Very high72 Ų7238.4 Ų38.427%0.27221%0.211SC..Hα-helixtrans-61.4-42.3175.7177.360.1-171.3-172.7-2.2112.5I233 F234 H235 C236 D250 Q251 L252 V258I233-R254 PolarHBondContact O-NE 2.76Å; I233-R254 VanDerWaalsContact O-NE 3.11Å; I233-R254 PolarHBondContact O-NH2 2.8Å; F234-R254 HydrophobicContact CB-CG 4.21Å; H235-R254 WeakPolarHBondContact O-CD 3.4Å; H235-R254 WeakPolarHBondContact O-CG 3.49Å; C236-R254 HydrophobicContact CB-CB 4.47Å; D250-R254 WeakPolarHBondContact O-CB 3.45Å; D250-R254 PolarHBondContact O-N 2.92Å; Q251-R254 PolarHBondContact O-N 3.33Å; L252-R254 VanDerWaalsContact C-N 3.26Å; L252-R254 PolarHBondContact O-N 3.37Å; R254-V258 WeakPolarHBondContact O-CG2 3.45Å; R254-V258 PolarHBondContact O-N 3.24Å
255I97.8Very high93.5Very high1 Ų139.9 Ų39.91%0.00520%0.203CC..Hα-helixtrans-61.4-47.3176.7-69.5166.9000109.9L205 W218 F234 Q251 L252 D253 N257 V258 M259L205-I255 HydrophobicContact CD1-CD1 3.58Å; W218-I255 HydrophobicContact CH2-CG2 4.27Å; W218-I255 HydrophobicContact CZ2-CD1 4.26Å; W218-I255 HydrophobicContact CZ2-CG1 4.46Å; W218-I255 HydrophobicContact CZ2-CG2 4.36Å; F234-I255 HydrophobicContact CB-CG1 4.26Å; F234-I255 HydrophobicContact CD1-CB 4.3Å; F234-I255 HydrophobicContact CD1-CG1 3.78Å; F234-I255 HydrophobicContact CD2-CG1 4.31Å; F234-I255 HydrophobicContact CE1-CB 4.43Å; F234-I255 HydrophobicContact CE1-CG1 4.19Å; F234-I255 HydrophobicContact CE1-CG2 4.39Å; F234-I255 HydrophobicContact CG-CG1 3.86Å; Q251-I255 WeakPolarHBondContact O-CG1 3.06Å; Q251-I255 PolarHBondContact O-N 3.06Å; Q251-I255 VanDerWaalsContact O-N 3.12Å; L252-I255 WeakPolarHBondContact O-CB 3.33Å; L252-I255 PolarHBondContact O-N 2.94Å; D253-I255 PolarHBondContact O-N 3.21Å; I255-N257 PolarHBondContact O-N 2.85Å; I255-V258 PolarHBondContact O-N 3.07Å; I255-V258 VanDerWaalsContact O-N 3.16Å; I255-M259 HydrophobicContact CG2-CG 4.02Å; I255-M259 WeakPolarHBondContact O-CB 3.43Å; I255-M259 WeakPolarHBondContact O-CG 3.32Å; I255-M259 PolarHBondContact O-N 3.35Å
256F98.2Very high94.4Very high2 Ų240 Ų401%0.00920%0.203CC..Hα-helixtrans-69.2-33.8-178.4-56.4-39.4000113.3L252 D253 V258 G260 F261 L279 F283 Y288 C291 M318L252-F256 HydrophobicContact CB-CE2 3.91Å; L252-F256 HydrophobicContact CB-CZ 4.36Å; L252-F256 HydrophobicContact CD2-CE2 4.39Å; L252-F256 HydrophobicContact CD2-CZ 3.99Å; L252-F256 WeakPolarHBondContact O-CD2 3.46Å; L252-F256 WeakPolarHBondContact O-CG 3.47Å; L252-F256 PolarHBondContact O-N 3.48Å; D253-F256 PolarHBondContact O-N 3.43Å; F256-V258 PolarHBondContact O-N 3.45Å; F256-G260 CarbonylContact O-C 3.33Å; F256-G260 WeakPolarHBondContact O-CA 3.5Å; F256-G260 PolarHBondContact O-N 2.89Å; F256-F261 HydrophobicContact CD1-CD2 4.21Å; F256-F261 AromaticContact CD2-CD2 3.93Å; F256-F261 HydrophobicContact CD2-CD2 3.93Å; F256-F261 HydrophobicContact CD2-CE2 4.25Å; F256-F261 HydrophobicContact CE1-CD2 4.33Å; F256-F261 HydrophobicContact CE2-CD2 4.06Å; F256-F261 AromaticContact CE2-CE2 3.94Å; F256-F261 HydrophobicContact CE2-CE2 3.94Å; F256-F261 HydrophobicContact CG-CD2 4.02Å; F256-F261 HydrophobicContact CZ-CD2 4.26Å; F256-F261 HydrophobicContact CZ-CE2 4.1Å; F256-L279 HydrophobicContact CE2-CD1 3.63Å; F256-L279 HydrophobicContact CZ-CD1 3.68Å; F256-F283 AromaticContact CD2-CD1 3.78Å; F256-F283 HydrophobicContact CD2-CD1 3.78Å; F256-F283 AromaticContact CD2-CE1 3.93Å; F256-F283 HydrophobicContact CD2-CE1 3.93Å; F256-F283 HydrophobicContact CD2-CG 4.31Å; F256-F283 AromaticContact CE2-CD1 3.98Å; F256-F283 HydrophobicContact CE2-CD1 3.98Å; F256-F283 HydrophobicContact CE2-CD2 4.35Å; F256-F283 HydrophobicContact CE2-CE1 4.14Å; F256-F283 HydrophobicContact CE2-CE2 4.47Å; F256-F283 HydrophobicContact CE2-CG 4.08Å; F256-F283 HydrophobicContact CE2-CZ 4.38Å; F256-Y288 HydrophobicContact CB-CD1 3.61Å; F256-Y288 HydrophobicContact CB-CD2 3.95Å; F256-Y288 HydrophobicContact CB-CE1 3.66Å; F256-Y288 HydrophobicContact CB-CE2 3.99Å; F256-Y288 HydrophobicContact CB-CG 3.76Å; F256-Y288 HydrophobicContact CD2-CE2 4.26Å; F256-C291 WeakPolarHBondContact O-CB 3.24Å; F256-M318 HydrophobicContact CE1-SD 4.44Å
257N97.7Very high95.3Very high70 Ų7038.2 Ų38.237%0.37419%0.191SC..Hα-helixtrans-61.6-29.5172.4-85.9-56.3000113D253 I255 C291D253-N257 VanDerWaalsContact CG-ND2 3.32Å; D253-N257 WeakPolarHBondContact O-CB 3.3Å; D253-N257 PolarHBondContact O-N 3Å; D253-N257 PolarHBondContact O-ND2 3.17Å; D253-N257 PolarHBondContact OD1-ND2 3.3Å; D253-N257 PolarHBondContact OD2-ND2 2.89Å; I255-N257 PolarHBondContact O-N 2.85Å; N257-C291 WeakPolarHBondContact O-CB 3.49Å; N257-C291 PolarHBondContact O-SG 3.4Å; N257-C291 VanDerWaalsContact O-SG 3.33Å
258V98.2Very high95.7Very high2 Ų243.1 Ų43.11%0.01222%0.215CC..Hα-helixtrans-89.4-50.4177.11730000111.3I233 F234 R254 I255 F256 S292 L293 Y296I233-V258 HydrophobicContact CD1-CG1 3.88Å; I233-V258 HydrophobicContact CG1-CG1 3.76Å; F234-V258 HydrophobicContact CD1-CB 4.19Å; F234-V258 HydrophobicContact CD1-CG1 4.43Å; F234-V258 HydrophobicContact CD1-CG2 4.23Å; F234-V258 HydrophobicContact CE1-CB 3.85Å; F234-V258 HydrophobicContact CE1-CG1 3.79Å; F234-V258 HydrophobicContact CE1-CG2 4.37Å; R254-V258 WeakPolarHBondContact O-CG2 3.45Å; R254-V258 PolarHBondContact O-N 3.24Å; I255-V258 PolarHBondContact O-N 3.07Å; I255-V258 VanDerWaalsContact O-N 3.16Å; F256-V258 PolarHBondContact O-N 3.45Å; V258-S292 CarbonylContact O-C 3.38Å; V258-S292 WeakPolarHBondContact O-CA 3.16Å; V258-S292 PolarHBondContact O-N 3.17Å; V258-S292 VanDerWaalsContact O-O 3.07Å; V258-L293 HydrophobicContact CG1-CD1 4.3Å; V258-L293 PolarHBondContact O-N 3.21Å; V258-L293 VanDerWaalsContact O-N 3.11Å; V258-Y296 HydrophobicContact CG1-CD1 4Å; V258-Y296 HydrophobicContact CG1-CD2 4.15Å; V258-Y296 HydrophobicContact CG1-CG 3.77Å; V258-Y296 HydrophobicContact CG2-CD2 3.92Å; V258-Y296 HydrophobicContact CG2-CE2 4.1Å; V258-Y296 HydrophobicContact CG2-CG 4.4Å
259M98.4Very high96.1Very high28 Ų2844.5 Ų44.514%0.13822%0.223CC..Hα-helixtrans-90.1-19.8-168.2-58.9-59.2-64.900113.6F234 I255 L293 L316 M318F234-M259 HydrophobicContact CE1-CG 3.8Å; F234-M259 HydrophobicContact CE1-SD 4.08Å; F234-M259 HydrophobicContact CZ-CG 3.96Å; F234-M259 HydrophobicContact CZ-SD 3.91Å; I255-M259 HydrophobicContact CG2-CG 4.02Å; I255-M259 WeakPolarHBondContact O-CB 3.43Å; I255-M259 WeakPolarHBondContact O-CG 3.32Å; I255-M259 PolarHBondContact O-N 3.35Å; M259-L293 HydrophobicContact CE-CB 4.1Å; M259-L293 HydrophobicContact CE-CD2 4.08Å; M259-L293 HydrophobicContact SD-CB 3.95Å; M259-L293 HydrophobicContact SD-CD1 3.88Å; M259-L293 HydrophobicContact SD-CD2 4.34Å; M259-L293 HydrophobicContact SD-CG 4.26Å; M259-L316 HydrophobicContact CE-CB 4.05Å; M259-L316 WeakPolarHBondContact CE-O 3.42Å; M259-M318 HydrophobicContact CB-CE 3.87Å; M259-M318 HydrophobicContact CB-SD 4.36Å
260G98.2Very high96.4Very high8 Ų841.8 Ų41.88%0.08221%0.211CC..  trans83.5163.7-159.300000111.6F256 C291 M318F256-G260 CarbonylContact O-C 3.33Å; F256-G260 WeakPolarHBondContact O-CA 3.5Å; F256-G260 PolarHBondContact O-N 2.89Å; G260-C291 WeakPolarHBondContact CA-O 3.15Å; G260-M318 VanDerWaalsContact O-CE 3.3Å; G260-M318 WeakPolarHBondContact O-CE 3.21Å
261F97.9Very high96.7Very high24 Ų2445.6 Ų45.611%0.10523%0.225CC..PPolyproline II helixtrans-83.4128.2174.8-166.3-82.3000110.1F256 A263 L279 M280 F283 R285 Y288F256-F261 HydrophobicContact CD1-CD2 4.21Å; F256-F261 AromaticContact CD2-CD2 3.93Å; F256-F261 HydrophobicContact CD2-CD2 3.93Å; F256-F261 HydrophobicContact CD2-CE2 4.25Å; F256-F261 HydrophobicContact CE1-CD2 4.33Å; F256-F261 HydrophobicContact CE2-CD2 4.06Å; F256-F261 AromaticContact CE2-CE2 3.94Å; F256-F261 HydrophobicContact CE2-CE2 3.94Å; F256-F261 HydrophobicContact CG-CD2 4.02Å; F256-F261 HydrophobicContact CZ-CD2 4.26Å; F256-F261 HydrophobicContact CZ-CE2 4.1Å; F261-A263 PolarHBondContact O-N 2.87Å; F261-L279 HydrophobicContact CE2-CD1 4.28Å; F261-L279 HydrophobicContact CE2-CG 4.47Å; F261-L279 HydrophobicContact CZ-CD2 4.23Å; F261-L279 HydrophobicContact CZ-CG 4.34Å; F261-M280 HydrophobicContact CE1-CE 4.25Å; F261-M280 HydrophobicContact CZ-CE 3.7Å; F261-F283 HydrophobicContact CD2-CB 4.45Å; F261-F283 HydrophobicContact CE2-CB 3.77Å; F261-R285 HydrophobicContact CB-CG 4.44Å; F261-R285 HydrophobicContact CD1-CB 4.16Å; F261-R285 HydrophobicContact CD1-CG 4.21Å; F261-R285 HydrophobicContact CG-CB 4.49Å; F261-R285 PolarHBondContact O-NH1 2.93Å; F261-Y288 HydrophobicContact CB-CD2 3.9Å; F261-Y288 HydrophobicContact CB-CG 4.34Å; F261-Y288 HydrophobicContact CD2-CD2 4.02Å; F261-Y288 HydrophobicContact CD2-CE2 4.24Å; F261-Y288 HydrophobicContact CG-CD2 4.39Å
262P96.9Very high96.9Very high4 Ų451.7 Ų51.73%0.02625%0.251CS..PPolyproline II helixtrans-63130.6-171.325.2-33.7000111.7W267 I270 R285 M318P262-W267 HydrophobicContact CB-CB 4.42Å; P262-W267 HydrophobicContact CG-CE3 4.46Å; P262-I270 HydrophobicContact CG-CD1 3.85Å; P262-R285 VanDerWaalsContact O-CZ 3.26Å; P262-R285 PolarHBondContact O-NH1 3.18Å; P262-R285 PolarHBondContact O-NH2 3.42Å; P262-M318 HydrophobicContact CB-CE 3.87Å; P262-M318 HydrophobicContact CB-SD 3.98Å; P262-M318 HydrophobicContact CG-CE 4.36Å; P262-M318 HydrophobicContact CG-SD 3.98Å
263A96.1Very high96.8Very high28 Ų2853.4 Ų53.423%0.23126%0.259CS..PPolyproline II helixtrans-68.8158.3169.100000110.8F261 K265 D266 W267F261-A263 PolarHBondContact O-N 2.87Å; A263-K265 HydrophobicContact CB-CG 4.03Å; A263-K265 PolarHBondContact O-N 3.29Å; A263-D266 HydrophobicContact CB-CB 4.44Å; A263-D266 WeakPolarHBondContact CB-OD2 3.36Å; A263-D266 PolarHBondContact N-OD2 3.02Å; A263-D266 VanDerWaalsContact N-OD2 3.08Å; A263-D266 WeakPolarHBondContact O-CA 3.31Å; A263-D266 WeakPolarHBondContact O-CB 3.29Å; A263-D266 PolarHBondContact O-N 3.42Å; A263-W267 PolarHBondContact O-N 2.72Å
264D94.8Very high96.8Very high118 Ų11854.2 Ų54.263%0.63127%0.267SS*.THydrogen-bonded Turntrans-58.3-36.3-179.4-58.80.4000111.1D266 W267 E268 R285D264-D266 VanDerWaalsContact C-N 3.29Å; D264-D266 PolarHBondContact O-N 3.32Å; D264-W267 CarbonylContact O-C 2.85Å; D264-W267 VanDerWaalsContact O-C 3.28Å; D264-E268 WeakPolarHBondContact O-CA 3.48Å; D264-E268 VanDerWaalsContact O-CG 3.28Å; D264-E268 WeakPolarHBondContact O-CG 3.4Å; D264-E268 PolarHBondContact O-N 3.2Å; D264-E268 VanDerWaalsContact O-N 3.12Å; D264-R285 IonicContact OD1-NH2 3.11Å; D264-R285 PolarHBondContact OD1-NH2 2.88Å
265K96.4Very high96.7Very high151 Ų15152.6 Ų52.666%0.65726%0.263SS*.THydrogen-bonded Turntrans-70.7-19.4173.467.9173.4-174.1176.40114.6A263 R322A263-K265 HydrophobicContact CB-CG 4.03Å; A263-K265 PolarHBondContact O-N 3.29Å; K265-R322 PolarHBondContact O-NH1 2.89Å
266D95.9Very high96.6Very high68 Ų6854.8 Ų54.836%0.36427%0.273SS..THydrogen-bonded Turntrans-85-29.3-178.9-59.4-33.2000110.3A263 D264 D319 R322A263-D266 HydrophobicContact CB-CB 4.44Å; A263-D266 WeakPolarHBondContact CB-OD2 3.36Å; A263-D266 PolarHBondContact N-OD2 3.02Å; A263-D266 VanDerWaalsContact N-OD2 3.08Å; A263-D266 WeakPolarHBondContact O-CA 3.31Å; A263-D266 WeakPolarHBondContact O-CB 3.29Å; A263-D266 PolarHBondContact O-N 3.42Å; D264-D266 VanDerWaalsContact C-N 3.29Å; D264-D266 PolarHBondContact O-N 3.32Å; D266-D319 VanDerWaalsContact O-CB 3.31Å; D266-D319 WeakPolarHBondContact O-CB 3.17Å; D266-R322 PolarHBondContact O-NH1 3.3Å
267W97.9Very high96.6Very high3 Ų358.7 Ų58.71%0.01130%0.301CS..  trans-150.784.1175.1-1705.3000111.9P202 E203 L206 P262 A263 D264 D269 I270 M273 M318 D319P202-W267 HydrophobicContact CB-CH2 4.27Å; P202-W267 HydrophobicContact CB-CZ3 4.09Å; P202-W267 HydrophobicContact CG-CH2 4.35Å; P202-W267 HydrophobicContact CG-CZ3 4.2Å; E203-W267 HydrophobicContact CB-CH2 4.02Å; E203-W267 HydrophobicContact CB-CZ2 3.97Å; L206-W267 HydrophobicContact CD1-CH2 3.71Å; L206-W267 HydrophobicContact CD1-CZ3 3.88Å; P262-W267 HydrophobicContact CB-CB 4.42Å; P262-W267 HydrophobicContact CG-CE3 4.46Å; A263-W267 PolarHBondContact O-N 2.72Å; D264-W267 CarbonylContact O-C 2.85Å; D264-W267 VanDerWaalsContact O-C 3.28Å; W267-D269 VanDerWaalsContact C-N 3.29Å; W267-D269 PolarHBondContact O-N 2.83Å; W267-I270 HydrophobicContact CB-CB 4.3Å; W267-I270 HydrophobicContact CD2-CB 3.74Å; W267-I270 HydrophobicContact CD2-CD1 4.18Å; W267-I270 HydrophobicContact CD2-CG1 3.93Å; W267-I270 HydrophobicContact CE3-CB 4.13Å; W267-I270 HydrophobicContact CE3-CD1 3.65Å; W267-I270 HydrophobicContact CE3-CG1 3.82Å; W267-I270 HydrophobicContact CG-CB 3.81Å; W267-I270 HydrophobicContact CG-CG1 4.49Å; W267-I270 HydrophobicContact CH2-CG1 4.47Å; W267-I270 HydrophobicContact CZ3-CD1 4.02Å; W267-I270 HydrophobicContact CZ3-CG1 4.11Å; W267-I270 WeakPolarHBondContact O-CB 3.37Å; W267-I270 WeakPolarHBondContact O-CG2 3.5Å; W267-I270 PolarHBondContact O-N 2.99Å; W267-M273 HydrophobicContact CZ2-CE 4.39Å; W267-M273 HydrophobicContact CZ2-CG 4.21Å; W267-M273 HydrophobicContact CZ2-SD 4.33Å; W267-M318 HydrophobicContact CE3-CB 4.22Å; W267-D319 HydrophobicContact CB-CB 3.88Å; W267-D319 HydrophobicContact CD2-CB 4.42Å; W267-D319 HydrophobicContact CG-CB 3.76Å
268E96.8Very high96.5Very high124 Ų12457.2 Ų57.258%0.57929%0.294SS*.G310 helixtrans-65.9-32.9-174-65.8-178.6-17300113.2D264 I270 K271D264-E268 WeakPolarHBondContact O-CA 3.48Å; D264-E268 VanDerWaalsContact O-CG 3.28Å; D264-E268 WeakPolarHBondContact O-CG 3.4Å; D264-E268 PolarHBondContact O-N 3.2Å; D264-E268 VanDerWaalsContact O-N 3.12Å; E268-I270 VanDerWaalsContact C-N 3.28Å; E268-I270 PolarHBondContact O-N 3.44Å; E268-K271 WeakPolarHBondContact O-CD 3.49Å; E268-K271 VanDerWaalsContact O-CE 3.25Å; E268-K271 WeakPolarHBondContact O-CE 3.34Å; E268-K271 WeakPolarHBondContact O-CG 3.24Å
269D96.9Very high96.4Very high49 Ų4957.1 Ų57.126%0.26229%0.293SS..G310 helixtrans-84.92.6-177.5-82.6-4.3000113.6W267 K271 K272W267-D269 VanDerWaalsContact C-N 3.29Å; W267-D269 PolarHBondContact O-N 2.83Å; D269-K271 PolarHBondContact O-N 3.08Å; D269-K271 VanDerWaalsContact O-N 3.16Å; D269-K272 HydrophobicContact CB-CD 4.17Å; D269-K272 WeakPolarHBondContact O-CB 3.49Å; D269-K272 PolarHBondContact O-N 3.47Å; D269-K272 WeakPolarHBondContact OD1-CD 3.41Å; D269-K272 WeakPolarHBondContact OD1-CE 3.3Å; D269-K272 IonicContact OD1-NZ 3.66Å; D269-K272 PolarHBondContact OD1-NZ 2.97Å; D269-K272 IonicContact OD2-NZ 3.83Å; D269-K272 PolarHBondContact OD2-NZ 3.46Å
270I97.1Very high96.4Very high13 Ų1359.9 Ų59.97%0.06731%0.307CS..G310 helixtrans-56.5-32.9173.7-159.7174.6000111.5L206 P262 W267 E268 K272 M273 H276 L279L206-I270 HydrophobicContact CD1-CD1 4.24Å; L206-I270 HydrophobicContact CD1-CG1 3.98Å; P262-I270 HydrophobicContact CG-CD1 3.85Å; W267-I270 HydrophobicContact CB-CB 4.3Å; W267-I270 HydrophobicContact CD2-CB 3.74Å; W267-I270 HydrophobicContact CD2-CD1 4.18Å; W267-I270 HydrophobicContact CD2-CG1 3.93Å; W267-I270 HydrophobicContact CE3-CB 4.13Å; W267-I270 HydrophobicContact CE3-CD1 3.65Å; W267-I270 HydrophobicContact CE3-CG1 3.82Å; W267-I270 HydrophobicContact CG-CB 3.81Å; W267-I270 HydrophobicContact CG-CG1 4.49Å; W267-I270 HydrophobicContact CH2-CG1 4.47Å; W267-I270 HydrophobicContact CZ3-CD1 4.02Å; W267-I270 HydrophobicContact CZ3-CG1 4.11Å; W267-I270 WeakPolarHBondContact O-CB 3.37Å; W267-I270 WeakPolarHBondContact O-CG2 3.5Å; W267-I270 PolarHBondContact O-N 2.99Å; E268-I270 VanDerWaalsContact C-N 3.28Å; E268-I270 PolarHBondContact O-N 3.44Å; I270-K272 PolarHBondContact O-N 3.39Å; I270-M273 WeakPolarHBondContact O-CB 3.49Å; I270-M273 WeakPolarHBondContact O-CG 3.35Å; I270-M273 PolarHBondContact O-N 3.34Å; I270-M273 VanDerWaalsContact O-N 3.09Å; I270-H276 WeakPolarHBondContact O-CB 3.23Å; I270-H276 PolarHBondContact O-CD2 3.4Å; I270-L279 HydrophobicContact CD1-CD2 3.74Å; I270-L279 HydrophobicContact CG1-CD2 4.31Å
271K96.7Very high96.3Very high137 Ų13767.9 Ų67.960%0.59634%0.339SS*.G310 helixtrans-65.1-17.3176.269.3-165.4171.7-164.60114.5E268 D269E268-K271 WeakPolarHBondContact O-CD 3.49Å; E268-K271 VanDerWaalsContact O-CE 3.25Å; E268-K271 WeakPolarHBondContact O-CE 3.34Å; E268-K271 WeakPolarHBondContact O-CG 3.24Å; D269-K271 PolarHBondContact O-N 3.08Å; D269-K271 VanDerWaalsContact O-N 3.16Å
272K95.6Very high96.2Very high135 Ų13569.6 Ų69.659%0.58735%0.35SS*.G310 helixtrans-90-8.3176.9-59.1177.1-178.5160.80112.2D269 I270D269-K272 HydrophobicContact CB-CD 4.17Å; D269-K272 WeakPolarHBondContact O-CB 3.49Å; D269-K272 PolarHBondContact O-N 3.47Å; D269-K272 WeakPolarHBondContact OD1-CD 3.41Å; D269-K272 WeakPolarHBondContact OD1-CE 3.3Å; D269-K272 IonicContact OD1-NZ 3.66Å; D269-K272 PolarHBondContact OD1-NZ 2.97Å; D269-K272 IonicContact OD2-NZ 3.83Å; D269-K272 PolarHBondContact OD2-NZ 3.46Å; I270-K272 PolarHBondContact O-N 3.39Å
273M94.6Very high96.2Very high36 Ų3669.8 Ų69.818%0.17735%0.35CS..SBendtrans-70.1138.9179.5-65.6-63.6121.900110.8E203 L206 A208 W267 I270 E275 H276E203-M273 HydrophobicContact CB-SD 4.33Å; L206-M273 HydrophobicContact CB-CB 3.82Å; L206-M273 HydrophobicContact CB-CG 3.98Å; L206-M273 HydrophobicContact CB-SD 4.49Å; L206-M273 HydrophobicContact CD1-CG 4.21Å; A208-M273 HydrophobicContact CB-SD 4.37Å; W267-M273 HydrophobicContact CZ2-CE 4.39Å; W267-M273 HydrophobicContact CZ2-CG 4.21Å; W267-M273 HydrophobicContact CZ2-SD 4.33Å; I270-M273 WeakPolarHBondContact O-CB 3.49Å; I270-M273 WeakPolarHBondContact O-CG 3.35Å; I270-M273 PolarHBondContact O-N 3.34Å; I270-M273 VanDerWaalsContact O-N 3.09Å; M273-E275 PolarHBondContact O-N 2.84Å; M273-H276 HydrophobicContact CB-CB 4.46Å; M273-H276 VanDerWaalsContact O-CB 3.26Å; M273-H276 WeakPolarHBondContact O-CB 3.27Å; M273-H276 PolarHBondContact O-N 3.03Å; M273-H276 VanDerWaalsContact O-N 3.08Å
274P93.8Very high96.2Very high65 Ų6578.1 Ų78.142%0.42238%0.376SS..THydrogen-bonded Turntrans-53.8-38.3-180-31.338.9000114.2L206 G207L206-P274 WeakPolarHBondContact O-CD 3.38Å; G207-P274 WeakPolarHBondContact O-CG 3.46Å
275E94.8Very high96.1Very high39 Ų3976.9 Ų76.918%0.18236%0.362CS..THydrogen-bonded Turntrans-94.515.6-177.6-58.9-60.6151.600113.7L206 Y247 M273 S277 T278 L279L206-E275 HydrophobicContact CD2-CB 4.42Å; L206-E275 WeakPolarHBondContact O-CB 3.43Å; L206-E275 PolarHBondContact O-N 2.99Å; L206-E275 VanDerWaalsContact O-N 3.08Å; Y247-E275 HydrophobicContact CD2-CB 3.7Å; Y247-E275 HydrophobicContact CD2-CG 4.08Å; Y247-E275 HydrophobicContact CE2-CB 4.29Å; Y247-E275 HydrophobicContact CG-CG 4.49Å; M273-E275 PolarHBondContact O-N 2.84Å; E275-S277 VanDerWaalsContact C-N 3.33Å; E275-S277 PolarHBondContact O-N 2.91Å; E275-T278 WeakPolarHBondContact O-CB 3.3Å; E275-T278 PolarHBondContact O-N 3.45Å; E275-T278 PolarHBondContact OE2-OG1 3.21Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 PolarHBondContact O-N 3.12Å
276H96.7Very high96Very high46 Ų4676.1 Ų76.121%0.21337%0.365CS..Hα-helixtrans-60.8-39.9-180176.7-103000112.8I270 M273 T278 L279 M280I270-H276 WeakPolarHBondContact O-CB 3.23Å; I270-H276 PolarHBondContact O-CD2 3.4Å; M273-H276 HydrophobicContact CB-CB 4.46Å; M273-H276 VanDerWaalsContact O-CB 3.26Å; M273-H276 WeakPolarHBondContact O-CB 3.27Å; M273-H276 PolarHBondContact O-N 3.03Å; M273-H276 VanDerWaalsContact O-N 3.08Å; H276-T278 VanDerWaalsContact C-N 3.33Å; H276-T278 PolarHBondContact O-N 2.9Å; H276-L279 WeakPolarHBondContact O-CB 3.18Å; H276-L279 PolarHBondContact O-N 2.75Å; H276-M280 WeakPolarHBondContact O-CG 3.43Å; H276-M280 PolarHBondContact O-N 3.19Å
277S96.7Very high96Very high85 Ų8577.3 Ų77.359%0.59438%0.375SS*.Hα-helixtrans-63.9-39.5176.949.20000112.2E275 M280 K281E275-S277 VanDerWaalsContact C-N 3.33Å; E275-S277 PolarHBondContact O-N 2.91Å; S277-M280 PolarHBondContact O-N 2.77Å; S277-K281 PolarHBondContact O-N 2.84Å; S277-K281 VanDerWaalsContact O-N 3.14Å
278T96.2Very high96Very high38 Ų3877.7 Ų77.723%0.23338%0.377CS..Hα-helixtrans-64.2-46.2175.6-45.10000109.9Y247 E275 H276 M280 K281 D282Y247-T278 HydrophobicContact CD1-CG2 4.02Å; Y247-T278 HydrophobicContact CD2-CG2 4.41Å; Y247-T278 HydrophobicContact CE1-CG2 3.57Å; Y247-T278 HydrophobicContact CE2-CG2 4.02Å; Y247-T278 HydrophobicContact CG-CG2 4.38Å; E275-T278 WeakPolarHBondContact O-CB 3.3Å; E275-T278 PolarHBondContact O-N 3.45Å; E275-T278 PolarHBondContact OE2-OG1 3.21Å; H276-T278 VanDerWaalsContact C-N 3.33Å; H276-T278 PolarHBondContact O-N 2.9Å; T278-M280 PolarHBondContact O-N 2.93Å; T278-K281 WeakPolarHBondContact O-CB 3.12Å; T278-K281 PolarHBondContact O-N 3.36Å; T278-K281 VanDerWaalsContact O-N 3.14Å; T278-D282 PolarHBondContact O-N 3.03Å
279L96.7Very high95.9Very high0 Ų076.4 Ų76.40%038%0.378CS..Hα-helixtrans-55.5-47.3175.2179.674000112.2L206 L252 F256 F261 I270 E275 H276 K281 D282 F283L206-L279 HydrophobicContact CD1-CD2 4.25Å; L206-L279 HydrophobicContact CD2-CB 4.03Å; L206-L279 HydrophobicContact CD2-CD1 4.13Å; L206-L279 HydrophobicContact CD2-CD2 4.02Å; L206-L279 HydrophobicContact CD2-CG 4.28Å; L252-L279 HydrophobicContact CD1-CD1 4.4Å; F256-L279 HydrophobicContact CE2-CD1 3.63Å; F256-L279 HydrophobicContact CZ-CD1 3.68Å; F261-L279 HydrophobicContact CE2-CD1 4.28Å; F261-L279 HydrophobicContact CE2-CG 4.47Å; F261-L279 HydrophobicContact CZ-CD2 4.23Å; F261-L279 HydrophobicContact CZ-CG 4.34Å; I270-L279 HydrophobicContact CD1-CD2 3.74Å; I270-L279 HydrophobicContact CG1-CD2 4.31Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 PolarHBondContact O-N 3.12Å; H276-L279 WeakPolarHBondContact O-CB 3.18Å; H276-L279 PolarHBondContact O-N 2.75Å; L279-K281 VanDerWaalsContact C-N 3.29Å; L279-K281 PolarHBondContact O-N 3.45Å; L279-D282 PolarHBondContact O-N 2.92Å; L279-F283 HydrophobicContact CD1-CB 4.39Å; L279-F283 HydrophobicContact CD1-CD2 3.55Å; L279-F283 HydrophobicContact CD1-CE2 4.1Å; L279-F283 HydrophobicContact CD1-CG 4.12Å; L279-F283 HydrophobicContact CG-CD2 4.45Å; L279-F283 WeakPolarHBondContact O-CB 3.49Å; L279-F283 PolarHBondContact O-N 3.32Å
280M96.9Very high95.8Very high87 Ų8780 Ų8043%0.42940%0.396SS..Hα-helixtrans-68.6-26.8-179.9-67.5-59.1106.600113.6F261 H276 S277 T278F261-M280 HydrophobicContact CE1-CE 4.25Å; F261-M280 HydrophobicContact CZ-CE 3.7Å; H276-M280 WeakPolarHBondContact O-CG 3.43Å; H276-M280 PolarHBondContact O-N 3.19Å; S277-M280 PolarHBondContact O-N 2.77Å; T278-M280 PolarHBondContact O-N 2.93Å
281K97.1Very high95.8Very high175 Ų17580.9 Ų80.976%0.76140%0.404SS*.Hα-helixtrans-73.9-43.8175.8177.6-167.7163.1-157.90111S277 T278 L279S277-K281 PolarHBondContact O-N 2.84Å; S277-K281 VanDerWaalsContact O-N 3.14Å; T278-K281 WeakPolarHBondContact O-CB 3.12Å; T278-K281 PolarHBondContact O-N 3.36Å; T278-K281 VanDerWaalsContact O-N 3.14Å; L279-K281 VanDerWaalsContact C-N 3.29Å; L279-K281 PolarHBondContact O-N 3.45Å
282D96.1Very high95.9Very high60 Ų6075.8 Ų75.832%0.32139%0.385SS..Hα-helixtrans-87.3-31.6-170.6-61.6-14.6000112.4Y247 T278 L279Y247-D282 WeakPolarHBondContact CE1-OD2 3.37Å; Y247-D282 PolarHBondContact OH-OD2 3.23Å; T278-D282 PolarHBondContact O-N 3.03Å; L279-D282 PolarHBondContact O-N 2.92Å
283F97.3Very high96Very high9 Ų969.7 Ų69.74%0.03936%0.359CS..  trans-113.7139.7-172.3-65.3-86.3000113.3Y247 H249 L252 D253 F256 F261 L279 Y288Y247-F283 WeakPolarHBondContact OH-CE2 3.3Å; H249-F283 AromaticContact CD2-CE2 3.67Å; H249-F283 AromaticContact CD2-CZ 3.5Å; H249-F283 AromaticContact NE2-CZ 3.6Å; L252-F283 HydrophobicContact CB-CE2 4.23Å; L252-F283 HydrophobicContact CB-CZ 3.93Å; D253-F283 HydrophobicContact CB-CE1 3.78Å; D253-F283 HydrophobicContact CB-CZ 4.2Å; F256-F283 AromaticContact CD2-CD1 3.78Å; F256-F283 HydrophobicContact CD2-CD1 3.78Å; F256-F283 AromaticContact CD2-CE1 3.93Å; F256-F283 HydrophobicContact CD2-CE1 3.93Å; F256-F283 HydrophobicContact CD2-CG 4.31Å; F256-F283 AromaticContact CE2-CD1 3.98Å; F256-F283 HydrophobicContact CE2-CD1 3.98Å; F256-F283 HydrophobicContact CE2-CD2 4.35Å; F256-F283 HydrophobicContact CE2-CE1 4.14Å; F256-F283 HydrophobicContact CE2-CE2 4.47Å; F256-F283 HydrophobicContact CE2-CG 4.08Å; F256-F283 HydrophobicContact CE2-CZ 4.38Å; F261-F283 HydrophobicContact CD2-CB 4.45Å; F261-F283 HydrophobicContact CE2-CB 3.77Å; L279-F283 HydrophobicContact CD1-CB 4.39Å; L279-F283 HydrophobicContact CD1-CD2 3.55Å; L279-F283 HydrophobicContact CD1-CE2 4.1Å; L279-F283 HydrophobicContact CD1-CG 4.12Å; L279-F283 HydrophobicContact CG-CD2 4.45Å; L279-F283 WeakPolarHBondContact O-CB 3.49Å; L279-F283 PolarHBondContact O-N 3.32Å; F283-Y288 AromaticContact CD1-CE2 3.96Å; F283-Y288 HydrophobicContact CD1-CE2 3.96Å; F283-Y288 AromaticContact CD1-CZ 3.95Å; F283-Y288 WeakPolarHBondContact CD1-OH 3.47Å; F283-Y288 WeakPolarHBondContact CE1-OH 3.34Å
284R95.2Very high96.2Very high202 Ų20271.3 Ų71.376%0.76237%0.368SS*.  trans-115.6126.7172.1-63.2-175-179.9-161.4-0.1110.2N286 T287R284-N286 PolarHBondContact O-N 3.47Å; R284-N286 VanDerWaalsContact O-N 3.13Å; R284-T287 VanDerWaalsContact O-CB 3.27Å; R284-T287 WeakPolarHBondContact O-CB 3.39Å; R284-T287 PolarHBondContact O-N 2.96Å; R284-T287 PolarHBondContact O-OG1 3.16Å
285R92.8Very high96.4Very high92 Ų9273 Ų7335%0.34737%0.369SS..G310 helixtrans-49.2-42.3178.6-177.7-177.5-67.1-70.41.1112.9F261 P262 D264 T287 Y288F261-R285 HydrophobicContact CB-CG 4.44Å; F261-R285 HydrophobicContact CD1-CB 4.16Å; F261-R285 HydrophobicContact CD1-CG 4.21Å; F261-R285 HydrophobicContact CG-CB 4.49Å; F261-R285 PolarHBondContact O-NH1 2.93Å; P262-R285 VanDerWaalsContact O-CZ 3.26Å; P262-R285 PolarHBondContact O-NH1 3.18Å; P262-R285 PolarHBondContact O-NH2 3.42Å; D264-R285 IonicContact OD1-NH2 3.11Å; D264-R285 PolarHBondContact OD1-NH2 2.88Å; R285-T287 PolarHBondContact O-N 3.2Å; R285-T287 VanDerWaalsContact O-N 3.14Å; R285-Y288 PolarHBondContact O-N 3.42Å; R285-Y288 VanDerWaalsContact O-N 3.08Å
286N94.1Very high96.6Very high136 Ų13672.4 Ų72.473%0.72737%0.365SS*.G310 helixtrans-62.3-22.6-176.1-68.14.9000113.8R284 Y288 T289R284-N286 PolarHBondContact O-N 3.47Å; R284-N286 VanDerWaalsContact O-N 3.13Å; N286-Y288 PolarHBondContact O-N 3.06Å; N286-T289 WeakPolarHBondContact CA-OG1 3.48Å; N286-T289 PolarHBondContact O-OG1 2.92Å
287T96.4Very high96.6Very high92 Ų9270.2 Ų70.256%0.56436%0.355SS*.G310 helixtrans-62.3-30.4176.2-55.20000111.8R284 R285R284-T287 VanDerWaalsContact O-CB 3.27Å; R284-T287 WeakPolarHBondContact O-CB 3.39Å; R284-T287 PolarHBondContact O-N 2.96Å; R284-T287 PolarHBondContact O-OG1 3.16Å; R285-T287 PolarHBondContact O-N 3.2Å; R285-T287 VanDerWaalsContact O-N 3.14Å
288Y97.3Very high96.6Very high11 Ų1170.9 Ų70.94%0.04335%0.348CS..G310 helixtrans-113.214.3-171.1-49-77.9000113.6D253 F256 F261 F283 R285 N286 N290 C291D253-Y288 WeakPolarHBondContact OD1-CE1 3.32Å; D253-Y288 PolarHBondContact OD1-OH 2.86Å; F256-Y288 HydrophobicContact CB-CD1 3.61Å; F256-Y288 HydrophobicContact CB-CD2 3.95Å; F256-Y288 HydrophobicContact CB-CE1 3.66Å; F256-Y288 HydrophobicContact CB-CE2 3.99Å; F256-Y288 HydrophobicContact CB-CG 3.76Å; F256-Y288 HydrophobicContact CD2-CE2 4.26Å; F261-Y288 HydrophobicContact CB-CD2 3.9Å; F261-Y288 HydrophobicContact CB-CG 4.34Å; F261-Y288 HydrophobicContact CD2-CD2 4.02Å; F261-Y288 HydrophobicContact CD2-CE2 4.24Å; F261-Y288 HydrophobicContact CG-CD2 4.39Å; F283-Y288 AromaticContact CD1-CE2 3.96Å; F283-Y288 HydrophobicContact CD1-CE2 3.96Å; F283-Y288 AromaticContact CD1-CZ 3.95Å; F283-Y288 WeakPolarHBondContact CD1-OH 3.47Å; F283-Y288 WeakPolarHBondContact CE1-OH 3.34Å; R285-Y288 PolarHBondContact O-N 3.42Å; R285-Y288 VanDerWaalsContact O-N 3.08Å; N286-Y288 PolarHBondContact O-N 3.06Å; Y288-N290 PolarHBondContact O-N 3.46Å; Y288-N290 VanDerWaalsContact O-N 3.12Å; Y288-C291 WeakPolarHBondContact O-CB 3.28Å; Y288-C291 PolarHBondContact O-N 2.76Å
289T94.3Very high96.7Very high98 Ų9877.5 Ų77.560%0.60137%0.374SS*.THydrogen-bonded Turntrans-56.2-32-177.5-49.80000112.9N286N286-T289 WeakPolarHBondContact CA-OG1 3.48Å; N286-T289 PolarHBondContact O-OG1 2.92Å
290N95.1Very high96.5Very high123 Ų12378.6 Ų78.666%0.65838%0.379SS*.THydrogen-bonded Turntrans-95.25.5-179.8-74.5-41.1000113.8Y288 K295Y288-N290 PolarHBondContact O-N 3.46Å; Y288-N290 VanDerWaalsContact O-N 3.12Å; N290-K295 WeakPolarHBondContact O-CD 3.19Å; N290-K295 WeakPolarHBondContact O-CE 3.49Å; N290-K295 PolarHBondContact O-NZ 3.09Å
291C97.8Very high96.4Very high32 Ų3282.8 Ų82.822%0.21640%0.395CS..  trans-97137.1-178.7-620000110.6F256 N257 G260 Y288F256-C291 WeakPolarHBondContact O-CB 3.24Å; N257-C291 WeakPolarHBondContact O-CB 3.49Å; N257-C291 PolarHBondContact O-SG 3.4Å; N257-C291 VanDerWaalsContact O-SG 3.33Å; G260-C291 WeakPolarHBondContact CA-O 3.15Å; Y288-C291 WeakPolarHBondContact O-CB 3.28Å; Y288-C291 PolarHBondContact O-N 2.76Å
292S98.2Very high96.4Very high31 Ų3175.2 Ų75.222%0.21736%0.363CS..  trans-164.1151.2174.764.10000110.1V258 I294 K295 Y296V258-S292 CarbonylContact O-C 3.38Å; V258-S292 WeakPolarHBondContact O-CA 3.16Å; V258-S292 PolarHBondContact O-N 3.17Å; V258-S292 VanDerWaalsContact O-O 3.07Å; S292-I294 PolarHBondContact O-N 3.29Å; S292-K295 PolarHBondContact O-N 2.85Å; S292-K295 VanDerWaalsContact O-N 3.15Å; S292-K295 WeakPolarHBondContact OG-CG 3.22Å; S292-K295 PolarHBondContact OG-N 3.21Å; S292-Y296 PolarHBondContact O-N 2.77Å; S292-Y296 VanDerWaalsContact O-N 3.1Å
293L98.4Very high96.4Very high7 Ų779.3 Ų79.34%0.03738%0.378CS..Hα-helixtrans-57-34.3176.8-176.961.5000111.6I233 V258 M259 Y296 M297 F309 L312 Q313 L316I233-L293 HydrophobicContact CD1-CD1 3.64Å; V258-L293 HydrophobicContact CG1-CD1 4.3Å; V258-L293 PolarHBondContact O-N 3.21Å; V258-L293 VanDerWaalsContact O-N 3.11Å; M259-L293 HydrophobicContact CE-CB 4.1Å; M259-L293 HydrophobicContact CE-CD2 4.08Å; M259-L293 HydrophobicContact SD-CB 3.95Å; M259-L293 HydrophobicContact SD-CD1 3.88Å; M259-L293 HydrophobicContact SD-CD2 4.34Å; M259-L293 HydrophobicContact SD-CG 4.26Å; L293-Y296 PolarHBondContact O-N 3.33Å; L293-M297 HydrophobicContact CD1-CG 3.8Å; L293-M297 HydrophobicContact CD1-SD 4.26Å; L293-M297 HydrophobicContact CG-CG 4.1Å; L293-M297 WeakPolarHBondContact O-CB 3.48Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.23Å; L293-M297 PolarHBondContact O-N 3.01Å; L293-F309 HydrophobicContact CD2-CE2 4.33Å; L293-F309 HydrophobicContact CD2-CZ 4.48Å; L293-F309 HydrophobicContact CG-CE2 3.92Å; L293-F309 HydrophobicContact CG-CZ 4.24Å; L293-L312 HydrophobicContact CD2-CG 4.43Å; L293-Q313 HydrophobicContact CD2-CB 4.23Å; L293-Q313 HydrophobicContact CD2-CG 4.46Å; L293-L316 HydrophobicContact CD1-CD1 4.45Å
294I98.4Very high96.4Very high69 Ų6980.5 Ų80.535%0.35439%0.387SS..Hα-helixtrans-54.5-59.9174.6-67172.6000110.3S292 Y296 M297 E298 P304 F309S292-I294 PolarHBondContact O-N 3.29Å; I294-Y296 VanDerWaalsContact C-N 3.28Å; I294-Y296 PolarHBondContact O-N 3.04Å; I294-M297 PolarHBondContact O-N 3.24Å; I294-E298 HydrophobicContact CG2-CG 4.41Å; I294-E298 WeakPolarHBondContact O-CB 3.44Å; I294-E298 WeakPolarHBondContact O-CG 3.36Å; I294-E298 PolarHBondContact O-N 2.63Å; I294-P304 HydrophobicContact CG1-CB 4.44Å; I294-P304 HydrophobicContact CG2-CB 3.93Å; I294-P304 HydrophobicContact CG2-CG 4.31Å; I294-F309 HydrophobicContact CB-CZ 4.18Å; I294-F309 HydrophobicContact CG1-CE1 3.86Å; I294-F309 HydrophobicContact CG1-CE2 4.42Å; I294-F309 HydrophobicContact CG1-CZ 3.44Å; I294-F309 VanDerWaalsContact CG1-CZ 3.44Å
295K97.9Very high96.5Very high102 Ų10276.5 Ų76.544%0.44338%0.381SS..Hα-helixtrans-60.6-38.1-177.8-70.6177.8-176.9-177.70112.3N290 S292 K299N290-K295 WeakPolarHBondContact O-CD 3.19Å; N290-K295 WeakPolarHBondContact O-CE 3.49Å; N290-K295 PolarHBondContact O-NZ 3.09Å; S292-K295 PolarHBondContact O-N 2.85Å; S292-K295 VanDerWaalsContact O-N 3.15Å; S292-K295 WeakPolarHBondContact OG-CG 3.22Å; S292-K295 PolarHBondContact OG-N 3.21Å; K295-K299 PolarHBondContact O-N 3.03Å
296Y98.2Very high96.8Very high25 Ų2573.6 Ų73.610%0.09838%0.375CS..Hα-helixtrans-62.4-52.7175.7179.8-95000110.7I233 V258 S292 L293 I294 E298 K299 H300I233-Y296 HydrophobicContact CB-CE1 4.28Å; I233-Y296 HydrophobicContact CD1-CD1 4Å; I233-Y296 HydrophobicContact CD1-CE1 3.84Å; I233-Y296 HydrophobicContact CG1-CD1 4.12Å; I233-Y296 HydrophobicContact CG1-CE1 3.61Å; V258-Y296 HydrophobicContact CG1-CD1 4Å; V258-Y296 HydrophobicContact CG1-CD2 4.15Å; V258-Y296 HydrophobicContact CG1-CG 3.77Å; V258-Y296 HydrophobicContact CG2-CD2 3.92Å; V258-Y296 HydrophobicContact CG2-CE2 4.1Å; V258-Y296 HydrophobicContact CG2-CG 4.4Å; S292-Y296 PolarHBondContact O-N 2.77Å; S292-Y296 VanDerWaalsContact O-N 3.1Å; L293-Y296 PolarHBondContact O-N 3.33Å; I294-Y296 VanDerWaalsContact C-N 3.28Å; I294-Y296 PolarHBondContact O-N 3.04Å; Y296-E298 PolarHBondContact O-N 3.25Å; Y296-K299 WeakPolarHBondContact O-CB 3.39Å; Y296-K299 PolarHBondContact O-N 3.45Å; Y296-H300 AromaticContact CE2-NE2 3.8Å; Y296-H300 AromaticContact CZ-CD2 3.98Å; Y296-H300 AromaticContact CZ-NE2 3.8Å; Y296-H300 PolarHBondContact O-CD2 3.01Å; Y296-H300 VanDerWaalsContact O-CD2 3.25Å; Y296-H300 PolarHBondContact O-N 3.23Å
297M98.1Very high97Very high0 Ų070.9 Ų70.90%036%0.356CS..Hα-helixtrans-67.5-34.4-176.7-65.8-54.9-6700112.8L228 T229 I233 L293 I294 K299 H300 K301 V302 F309 L312L228-M297 HydrophobicContact CB-CE 4.29Å; L228-M297 HydrophobicContact CD1-CE 4Å; T229-M297 HydrophobicContact CG2-CE 3.85Å; T229-M297 HydrophobicContact CG2-SD 4.23Å; I233-M297 HydrophobicContact CD1-SD 4.49Å; L293-M297 HydrophobicContact CD1-CG 3.8Å; L293-M297 HydrophobicContact CD1-SD 4.26Å; L293-M297 HydrophobicContact CG-CG 4.1Å; L293-M297 WeakPolarHBondContact O-CB 3.48Å; L293-M297 VanDerWaalsContact O-CG 3.25Å; L293-M297 WeakPolarHBondContact O-CG 3.23Å; L293-M297 PolarHBondContact O-N 3.01Å; I294-M297 PolarHBondContact O-N 3.24Å; M297-K299 PolarHBondContact O-N 3.44Å; M297-H300 CarbonylContact O-C 3.58Å; M297-H300 WeakPolarHBondContact O-CA 3.36Å; M297-H300 PolarHBondContact O-N 3.31Å; M297-K301 PolarHBondContact O-N 2.8Å; M297-V302 CarbonylContact C-O 3.54Å; M297-V302 HydrophobicContact CB-CB 4.14Å; M297-V302 HydrophobicContact CB-CG1 4.47Å; M297-V302 HydrophobicContact CE-CB 3.79Å; M297-V302 HydrophobicContact CE-CG1 3.88Å; M297-V302 HydrophobicContact CE-CG2 3.71Å; M297-V302 PolarHBondContact O-N 3.04Å; M297-F309 HydrophobicContact CB-CD2 3.82Å; M297-F309 HydrophobicContact CB-CE2 3.79Å; M297-F309 HydrophobicContact CG-CD2 3.85Å; M297-F309 HydrophobicContact CG-CE2 3.71Å; M297-L312 HydrophobicContact CE-CD2 3.6Å; M297-L312 HydrophobicContact CG-CD2 4.21Å; M297-L312 HydrophobicContact SD-CD2 3.85Å
298E97.1Very high97.1Very high99 Ų9967 Ų6746%0.46333%0.334SS..Hα-helixtrans-59.8-43.8173-77.6179.7148.800112.2I294 Y296 H300 K301 P304I294-E298 HydrophobicContact CG2-CG 4.41Å; I294-E298 WeakPolarHBondContact O-CB 3.44Å; I294-E298 WeakPolarHBondContact O-CG 3.36Å; I294-E298 PolarHBondContact O-N 2.63Å; Y296-E298 PolarHBondContact O-N 3.25Å; E298-H300 PolarHBondContact O-N 3.35Å; E298-K301 PolarHBondContact O-N 3.45Å; E298-P304 HydrophobicContact CG-CG 4.13Å; E298-P304 WeakPolarHBondContact OE1-CG 3.34Å
299K96.4Very high97.1Very high177 Ų17766.7 Ų66.777%0.7733%0.332SS*.Hα-helixtrans-58.4-29.5174.7-176.5-179.1177.8-178.10112.1K295 Y296 M297K295-K299 PolarHBondContact O-N 3.03Å; Y296-K299 WeakPolarHBondContact O-CB 3.39Å; Y296-K299 PolarHBondContact O-N 3.45Å; M297-K299 PolarHBondContact O-N 3.44Å
300H94.3Very high97.3Very high24 Ų2466 Ų6611%0.11132%0.323CS..THydrogen-bonded Turntrans-95.215176.7-69.1-100.3000113.7T229 E231 Y296 M297 E298 V302T229-H300 HydrophobicContact CG2-CB 3.56Å; E231-H300 IonicContact OE1-CE1 2.78Å; E231-H300 IonicContact OE2-CE1 3.32Å; E231-H300 PolarHBondContact OE2-CE1 3.4Å; E231-H300 VanDerWaalsContact OE2-CE1 3.26Å; Y296-H300 AromaticContact CE2-NE2 3.8Å; Y296-H300 AromaticContact CZ-CD2 3.98Å; Y296-H300 AromaticContact CZ-NE2 3.8Å; Y296-H300 PolarHBondContact O-CD2 3.01Å; Y296-H300 VanDerWaalsContact O-CD2 3.25Å; Y296-H300 PolarHBondContact O-N 3.23Å; M297-H300 CarbonylContact O-C 3.58Å; M297-H300 WeakPolarHBondContact O-CA 3.36Å; M297-H300 PolarHBondContact O-N 3.31Å; E298-H300 PolarHBondContact O-N 3.35Å; H300-V302 VanDerWaalsContact C-N 3.29Å; H300-V302 PolarHBondContact O-N 3.28Å
301K94.8Very high97.5Very high175 Ų17560.2 Ų60.276%0.76129%0.291SS*.THydrogen-bonded Turntrans64.427175.4-49.1-177.6179.2-174.60114.3M297 E298M297-K301 PolarHBondContact O-N 2.8Å; E298-K301 PolarHBondContact O-N 3.45Å
302V96Very high97.6Very high16 Ų1658.7 Ų58.710%0.09728%0.281CS..  trans-99.8123169.3176.80000108L228 M297 H300 F309L228-V302 HydrophobicContact CB-CG2 4.16Å; M297-V302 CarbonylContact C-O 3.54Å; M297-V302 HydrophobicContact CB-CB 4.14Å; M297-V302 HydrophobicContact CB-CG1 4.47Å; M297-V302 HydrophobicContact CE-CB 3.79Å; M297-V302 HydrophobicContact CE-CG1 3.88Å; M297-V302 HydrophobicContact CE-CG2 3.71Å; M297-V302 PolarHBondContact O-N 3.04Å; H300-V302 VanDerWaalsContact C-N 3.29Å; H300-V302 PolarHBondContact O-N 3.28Å; V302-F309 HydrophobicContact CG1-CB 4.41Å
303K97.1Very high97.6Very high145 Ų14561.2 Ų61.263%0.6329%0.289SS*.  trans-76.5134-174.7-53-175.1173.4-173.80111D305 S306 F309K303-D305 VanDerWaalsContact C-N 3.27Å; K303-D305 WeakPolarHBondContact CB-OD1 3.33Å; K303-D305 PolarHBondContact O-N 2.72Å; K303-S306 VanDerWaalsContact O-CB 3.32Å; K303-S306 WeakPolarHBondContact O-CB 3.28Å; K303-S306 PolarHBondContact O-N 3.38Å; K303-S306 PolarHBondContact O-OG 3.22Å; K303-F309 WeakPolarHBondContact O-CB 3.37Å
304P96.8Very high97.6Very high35 Ų3564.9 Ų64.923%0.22731%0.305CS..THydrogen-bonded Turntrans-72.9-17.8-176.530.4-36.8000114I294 E298 S306 F309 H310I294-P304 HydrophobicContact CG1-CB 4.44Å; I294-P304 HydrophobicContact CG2-CB 3.93Å; I294-P304 HydrophobicContact CG2-CG 4.31Å; E298-P304 HydrophobicContact CG-CG 4.13Å; E298-P304 WeakPolarHBondContact OE1-CG 3.34Å; P304-S306 VanDerWaalsContact C-N 3.3Å; P304-F309 HydrophobicContact CB-CD1 4.2Å; P304-F309 HydrophobicContact CB-CE1 4.21Å; P304-F309 HydrophobicContact CB-CG 4.5Å; P304-F309 WeakPolarHBondContact O-CD1 3.42Å; P304-H310 PolarHBondContact O-NE2 3.11Å
305D96.9Very high97.6Very high118 Ų11861.6 Ų61.663%0.63129%0.288SS*.THydrogen-bonded Turntrans-84.4-3.1173.864-21.1000113K303K303-D305 VanDerWaalsContact C-N 3.27Å; K303-D305 WeakPolarHBondContact CB-OD1 3.33Å; K303-D305 PolarHBondContact O-N 2.72Å
306S98.2Very high97.7Very high31 Ų3156.8 Ų56.822%0.21727%0.267CS..SBendtrans-78145.7-179.571.30000112.3K303 P304 A308 F309 H310K303-S306 VanDerWaalsContact O-CB 3.32Å; K303-S306 WeakPolarHBondContact O-CB 3.28Å; K303-S306 PolarHBondContact O-N 3.38Å; K303-S306 PolarHBondContact O-OG 3.22Å; P304-S306 VanDerWaalsContact C-N 3.3Å; S306-A308 PolarHBondContact O-N 2.95Å; S306-F309 PolarHBondContact O-N 2.79Å; S306-F309 WeakPolarHBondContact OG-CB 3.3Å; S306-F309 PolarHBondContact OG-N 2.78Å; S306-H310 PolarHBondContact O-CD2 2.9Å; S306-H310 PolarHBondContact O-N 3.29Å; S306-H310 VanDerWaalsContact O-N 3.09Å
307K98.5Very high97.7Very high78 Ų7857.3 Ų57.334%0.33927%0.273SS..Hα-helixtrans-57.8-35.3173.7-63.7-175.9-174.3136.90112.5F309 H310 L311 P333 Y334 E337K307-F309 VanDerWaalsContact C-N 3.34Å; K307-F309 PolarHBondContact O-N 3.42Å; K307-H310 PolarHBondContact O-N 3.16Å; K307-L311 PolarHBondContact O-N 3.12Å; K307-P333 HydrophobicContact CD-CB 4.1Å; K307-P333 WeakPolarHBondContact CD-O 3.39Å; K307-Y334 HydrophobicContact CB-CD2 4.13Å; K307-E337 HydrophobicContact CD-CB 4.12Å; K307-E337 WeakPolarHBondContact CD-OE1 3.4Å; K307-E337 WeakPolarHBondContact CE-OE1 3.43Å; K307-E337 IonicContact NZ-OE1 2.73Å; K307-E337 PolarHBondContact NZ-OE1 3.31Å
308A98.3Very high97.7Very high12 Ų1258.5 Ų58.510%0.09928%0.279CS..Hα-helixtrans-56.8-46.6173.700000111.9F224 S306 L312 Y334F224-A308 VanDerWaalsContact CE1-O 3.3Å; F224-A308 WeakPolarHBondContact CE1-O 3.3Å; F224-A308 HydrophobicContact CZ-CB 4.1Å; S306-A308 PolarHBondContact O-N 2.95Å; A308-L312 WeakPolarHBondContact O-CB 3.28Å; A308-L312 PolarHBondContact O-N 2.84Å; A308-Y334 HydrophobicContact CB-CD2 3.98Å; A308-Y334 HydrophobicContact CB-CE2 3.56Å
309F98.8Very high97.8Very high3 Ų354.2 Ų54.21%0.01326%0.259CS..Hα-helixtrans-66.6-44178.2177.1-92.1000112.1L293 I294 M297 V302 K303 P304 S306 K307 L311 L312 Q313L293-F309 HydrophobicContact CD2-CE2 4.33Å; L293-F309 HydrophobicContact CD2-CZ 4.48Å; L293-F309 HydrophobicContact CG-CE2 3.92Å; L293-F309 HydrophobicContact CG-CZ 4.24Å; I294-F309 HydrophobicContact CB-CZ 4.18Å; I294-F309 HydrophobicContact CG1-CE1 3.86Å; I294-F309 HydrophobicContact CG1-CE2 4.42Å; I294-F309 HydrophobicContact CG1-CZ 3.44Å; I294-F309 VanDerWaalsContact CG1-CZ 3.44Å; M297-F309 HydrophobicContact CB-CD2 3.82Å; M297-F309 HydrophobicContact CB-CE2 3.79Å; M297-F309 HydrophobicContact CG-CD2 3.85Å; M297-F309 HydrophobicContact CG-CE2 3.71Å; V302-F309 HydrophobicContact CG1-CB 4.41Å; K303-F309 WeakPolarHBondContact O-CB 3.37Å; P304-F309 HydrophobicContact CB-CD1 4.2Å; P304-F309 HydrophobicContact CB-CE1 4.21Å; P304-F309 HydrophobicContact CB-CG 4.5Å; P304-F309 WeakPolarHBondContact O-CD1 3.42Å; S306-F309 PolarHBondContact O-N 2.79Å; S306-F309 WeakPolarHBondContact OG-CB 3.3Å; S306-F309 PolarHBondContact OG-N 2.78Å; K307-F309 VanDerWaalsContact C-N 3.34Å; K307-F309 PolarHBondContact O-N 3.42Å; F309-L311 VanDerWaalsContact C-N 3.35Å; F309-L311 PolarHBondContact O-N 3.07Å; F309-L312 WeakPolarHBondContact O-CB 3.14Å; F309-L312 PolarHBondContact O-N 3.21Å; F309-Q313 PolarHBondContact O-N 3.31Å
310H98.8Very high97.8Very high85 Ų8547 Ų4739%0.39423%0.231SC..Hα-helixtrans-61.5-42178.3-72.9-66.2000112.4P304 S306 K307 Q313 K314P304-H310 PolarHBondContact O-NE2 3.11Å; S306-H310 PolarHBondContact O-CD2 2.9Å; S306-H310 PolarHBondContact O-N 3.29Å; S306-H310 VanDerWaalsContact O-N 3.09Å; K307-H310 PolarHBondContact O-N 3.16Å; H310-Q313 PolarHBondContact O-N 3.3Å; H310-K314 WeakPolarHBondContact O-CG 3.06Å; H310-K314 PolarHBondContact O-N 3.48Å
311L98.9Very high98Very high0 Ų052.4 Ų52.40%026%0.259CS..Hα-helixtrans-62.5-45.2173177.756.9000111.3L132 F224 K307 F309 Q313 K314 L315 A329 D332 Y334 F335L132-L311 HydrophobicContact CD2-CD2 3.75Å; F224-L311 HydrophobicContact CE1-CB 4.43Å; F224-L311 HydrophobicContact CE1-CD2 4.39Å; F224-L311 HydrophobicContact CE1-CG 4.35Å; K307-L311 PolarHBondContact O-N 3.12Å; F309-L311 VanDerWaalsContact C-N 3.35Å; F309-L311 PolarHBondContact O-N 3.07Å; L311-Q313 VanDerWaalsContact C-N 3.3Å; L311-Q313 PolarHBondContact O-N 2.94Å; L311-K314 PolarHBondContact O-N 2.85Å; L311-L315 HydrophobicContact CD1-CD1 4.36Å; L311-L315 HydrophobicContact CD1-CG 4.34Å; L311-L315 HydrophobicContact CG-CD1 4.14Å; L311-L315 WeakPolarHBondContact O-CG 3.27Å; L311-L315 PolarHBondContact O-N 3.45Å; L311-L315 VanDerWaalsContact O-N 3.07Å; L311-A329 HydrophobicContact CD1-CB 4.06Å; L311-D332 HydrophobicContact CD1-CB 3.87Å; L311-D332 HydrophobicContact CD2-CB 4.35Å; L311-Y334 HydrophobicContact CD2-CD1 3.56Å; L311-Y334 HydrophobicContact CD2-CE1 4.38Å; L311-Y334 HydrophobicContact CD2-CG 4.17Å; L311-F335 HydrophobicContact CD2-CE2 3.8Å; L311-F335 HydrophobicContact CD2-CZ 3.91Å
312L98.9Very high98.1Very high0 Ų050.9 Ų50.90%025%0.248CC..Hα-helixtrans-57.6-42.5177.3178.763.3000112.2G221 F224 A225 L228 L293 M297 A308 F309 K314 L315 L316G221-L312 WeakPolarHBondContact O-CD1 3.44Å; F224-L312 HydrophobicContact CB-CD1 4.17Å; F224-L312 HydrophobicContact CD1-CB 3.85Å; F224-L312 HydrophobicContact CD1-CD1 3.77Å; F224-L312 HydrophobicContact CD1-CG 4.38Å; F224-L312 HydrophobicContact CE1-CB 3.88Å; F224-L312 HydrophobicContact CG-CD1 4.28Å; A225-L312 HydrophobicContact CB-CD1 3.97Å; A225-L312 HydrophobicContact CB-CD2 4.04Å; L228-L312 HydrophobicContact CD1-CD2 4.21Å; L293-L312 HydrophobicContact CD2-CG 4.43Å; M297-L312 HydrophobicContact CE-CD2 3.6Å; M297-L312 HydrophobicContact CG-CD2 4.21Å; M297-L312 HydrophobicContact SD-CD2 3.85Å; A308-L312 WeakPolarHBondContact O-CB 3.28Å; A308-L312 PolarHBondContact O-N 2.84Å; F309-L312 WeakPolarHBondContact O-CB 3.14Å; F309-L312 PolarHBondContact O-N 3.21Å; L312-K314 VanDerWaalsContact C-N 3.33Å; L312-K314 PolarHBondContact O-N 3.35Å; L312-L315 PolarHBondContact O-N 3.24Å; L312-L316 HydrophobicContact CD1-CD1 3.68Å; L312-L316 HydrophobicContact CD1-CG 4.02Å; L312-L316 HydrophobicContact CG-CD1 4.11Å; L312-L316 WeakPolarHBondContact O-CB 3.32Å; L312-L316 PolarHBondContact O-N 3.22Å
313Q98.8Very high98.3Very high84 Ų8450.8 Ų50.839%0.39325%0.246SC..Hα-helixtrans-63.4-37.8178.7-172177.544.800112.3L293 F309 H310 L311 L316 T317L293-Q313 HydrophobicContact CD2-CB 4.23Å; L293-Q313 HydrophobicContact CD2-CG 4.46Å; F309-Q313 PolarHBondContact O-N 3.31Å; H310-Q313 PolarHBondContact O-N 3.3Å; L311-Q313 VanDerWaalsContact C-N 3.3Å; L311-Q313 PolarHBondContact O-N 2.94Å; Q313-L316 CarbonylContact O-C 3.54Å; Q313-T317 PolarHBondContact O-N 2.76Å; Q313-T317 PolarHBondContact O-OG1 3.47Å
314K98.9Very high98.3Very high85 Ų8544.9 Ų44.937%0.3722%0.221SC..Hα-helixtrans-66.8-38.6175-65.3170.7-172.6176.90112H310 L311 L312 T317 I324 D332H310-K314 WeakPolarHBondContact O-CG 3.06Å; H310-K314 PolarHBondContact O-N 3.48Å; L311-K314 PolarHBondContact O-N 2.85Å; L312-K314 VanDerWaalsContact C-N 3.33Å; L312-K314 PolarHBondContact O-N 3.35Å; K314-T317 PolarHBondContact O-OG1 2.92Å; K314-I324 HydrophobicContact CB-CB 4.13Å; K314-I324 HydrophobicContact CB-CD1 4.31Å; K314-I324 HydrophobicContact CB-CG2 3.88Å; K314-I324 HydrophobicContact CD-CD1 3.89Å; K314-D332 IonicContact NZ-OD2 2.77Å; K314-D332 PolarHBondContact NZ-OD2 3.3Å
315L98.9Very high98.4Very high0 Ų046.2 Ų46.20%023%0.229CC..Hα-helixtrans-69.3-42.3176.5-65.4167.9000111.9I217 F224 L311 L312 T317 R323 I324 A329I217-L315 HydrophobicContact CG2-CB 4.47Å; I217-L315 HydrophobicContact CG2-CD2 3.49Å; I217-L315 VanDerWaalsContact CG2-CD2 3.49Å; F224-L315 HydrophobicContact CD1-CD1 4Å; L311-L315 HydrophobicContact CD1-CD1 4.36Å; L311-L315 HydrophobicContact CD1-CG 4.34Å; L311-L315 HydrophobicContact CG-CD1 4.14Å; L311-L315 WeakPolarHBondContact O-CG 3.27Å; L311-L315 PolarHBondContact O-N 3.45Å; L311-L315 VanDerWaalsContact O-N 3.07Å; L312-L315 PolarHBondContact O-N 3.24Å; L315-T317 VanDerWaalsContact C-N 3.3Å; L315-T317 PolarHBondContact O-N 3.43Å; L315-R323 VanDerWaalsContact O-CD 3.28Å; L315-R323 WeakPolarHBondContact O-CD 3.45Å; L315-R323 VanDerWaalsContact O-CG 3.27Å; L315-R323 WeakPolarHBondContact O-CG 3.38Å; L315-I324 HydrophobicContact CD2-CG2 3.8Å; L315-I324 HydrophobicContact CG-CG2 4.3Å; L315-A329 HydrophobicContact CD2-CB 4.16Å
316L98.8Very high98.5Very high1 Ų140.8 Ų40.81%0.00520%0.2CC..THydrogen-bonded Turntrans-91.931.5-179.9-67.8-177.8000113.5W218 I233 F234 M259 L293 L312 Q313 M318W218-L316 HydrophobicContact CD2-CD2 3.99Å; W218-L316 HydrophobicContact CE3-CD2 4.01Å; W218-L316 HydrophobicContact CH2-CD2 4.43Å; W218-L316 HydrophobicContact CZ2-CD2 4.41Å; W218-L316 HydrophobicContact CZ3-CB 4.35Å; W218-L316 HydrophobicContact CZ3-CD2 4.24Å; W218-L316 WeakPolarHBondContact CZ3-O 3.4Å; I233-L316 HydrophobicContact CD1-CD1 3.83Å; F234-L316 HydrophobicContact CE2-CD1 4.47Å; F234-L316 HydrophobicContact CE2-CD2 4.03Å; F234-L316 HydrophobicContact CZ-CD1 4.26Å; F234-L316 HydrophobicContact CZ-CD2 4.4Å; M259-L316 HydrophobicContact CE-CB 4.05Å; M259-L316 WeakPolarHBondContact CE-O 3.42Å; L293-L316 HydrophobicContact CD1-CD1 4.45Å; L312-L316 HydrophobicContact CD1-CD1 3.68Å; L312-L316 HydrophobicContact CD1-CG 4.02Å; L312-L316 HydrophobicContact CG-CD1 4.11Å; L312-L316 WeakPolarHBondContact O-CB 3.32Å; L312-L316 PolarHBondContact O-N 3.22Å; Q313-L316 CarbonylContact O-C 3.54Å; L316-M318 PolarHBondContact O-N 2.82Å
317T98.8Very high98.5Very high35 Ų3544.2 Ų44.222%0.21521%0.213CC..  trans-72.2126.7171.3-66.10000109.8Q313 K314 L315 R322 R323Q313-T317 PolarHBondContact O-N 2.76Å; Q313-T317 PolarHBondContact O-OG1 3.47Å; K314-T317 PolarHBondContact O-OG1 2.92Å; L315-T317 VanDerWaalsContact C-N 3.3Å; L315-T317 PolarHBondContact O-N 3.43Å; T317-R322 HydrophobicContact CG2-CB 3.78Å; T317-R323 PolarHBondContact O-NE 3.03Å; T317-R323 PolarHBondContact O-NH2 2.54Å; T317-R323 VanDerWaalsContact O-NH2 3.13Å
318M98.3Very high98.5Very high26 Ų2645.2 Ų45.213%0.12822%0.219CC..SBendtrans-64.2-46.3-174.5-75-169.3-98.300112.3W218 F256 M259 G260 P262 W267 L316 P320 R323W218-M318 HydrophobicContact CH2-CG 4.41Å; W218-M318 HydrophobicContact CZ3-CG 4.37Å; F256-M318 HydrophobicContact CE1-SD 4.44Å; M259-M318 HydrophobicContact CB-CE 3.87Å; M259-M318 HydrophobicContact CB-SD 4.36Å; G260-M318 VanDerWaalsContact O-CE 3.3Å; G260-M318 WeakPolarHBondContact O-CE 3.21Å; P262-M318 HydrophobicContact CB-CE 3.87Å; P262-M318 HydrophobicContact CB-SD 3.98Å; P262-M318 HydrophobicContact CG-CE 4.36Å; P262-M318 HydrophobicContact CG-SD 3.98Å; W267-M318 HydrophobicContact CE3-CB 4.22Å; L316-M318 PolarHBondContact O-N 2.82Å; M318-P320 WeakPolarHBondContact O-CD 3.38Å; M318-R323 PolarHBondContact O-NH2 3.14Å
319D98.4Very high98.6Very high8 Ų844.7 Ų44.74%0.04321%0.214CC..SBendtrans-69115.8175.4-173.3-10.5000110.8D266 W267 I321 R322 R323D266-D319 VanDerWaalsContact O-CB 3.31Å; D266-D319 WeakPolarHBondContact O-CB 3.17Å; W267-D319 HydrophobicContact CB-CB 3.88Å; W267-D319 HydrophobicContact CD2-CB 4.42Å; W267-D319 HydrophobicContact CG-CB 3.76Å; D319-I321 PolarHBondContact O-N 3.04Å; D319-I321 WeakPolarHBondContact OD1-CG1 3.36Å; D319-I321 PolarHBondContact OD1-N 3.13Å; D319-I321 VanDerWaalsContact OD1-N 3.13Å; D319-R322 HydrophobicContact CB-CB 4.26Å; D319-R322 HydrophobicContact CB-CG 4.18Å; D319-R322 PolarHBondContact O-N 3.18Å; D319-R322 VanDerWaalsContact O-N 3.12Å; D319-R323 PolarHBondContact O-N 3.29Å
320P97.5Very high98.6Very high26 Ų2646 Ų4617%0.16922%0.221CC..THydrogen-bonded Turntrans-61.6-26.5-17724.9-35.1000114E203 A214 M318 R322E203-P320 HydrophobicContact CB-CG 4.4Å; E203-P320 HydrophobicContact CG-CB 4.49Å; E203-P320 HydrophobicContact CG-CG 4.33Å; A214-P320 HydrophobicContact CB-CB 3.95Å; M318-P320 WeakPolarHBondContact O-CD 3.38Å; P320-R322 VanDerWaalsContact C-N 3.32Å
321I97.3Very high98.6Very high137 Ų13748.3 Ų48.370%0.70323%0.232SC*.THydrogen-bonded Turntrans-80.1-16.5179.862.3156.5000113D319D319-I321 PolarHBondContact O-N 3.04Å; D319-I321 WeakPolarHBondContact OD1-CG1 3.36Å; D319-I321 PolarHBondContact OD1-N 3.13Å; D319-I321 VanDerWaalsContact OD1-N 3.13Å
322R98.2Very high98.6Very high143 Ų14348.8 Ų48.854%0.5423%0.234SC..THydrogen-bonded Turntrans-98.3-7.4176.5-60.9179.768.3173.73.6112.6K265 D266 T317 D319 P320K265-R322 PolarHBondContact O-NH1 2.89Å; D266-R322 PolarHBondContact O-NH1 3.3Å; T317-R322 HydrophobicContact CG2-CB 3.78Å; D319-R322 HydrophobicContact CB-CB 4.26Å; D319-R322 HydrophobicContact CB-CG 4.18Å; D319-R322 PolarHBondContact O-N 3.18Å; D319-R322 VanDerWaalsContact O-N 3.12Å; P320-R322 VanDerWaalsContact C-N 3.32Å
323R98.6Very high98.5Very high14 Ų1452 Ų525%0.05326%0.255CS..SBendtrans-71.6133.2178.4-159.5176.8-61.7142.54.6109.8E203 A214 I217 L315 T317 M318 D319E203-R323 IonicContact OE1-CZ 3Å; E203-R323 IonicContact OE1-NH1 3.87Å; E203-R323 PolarHBondContact OE1-NH1 2.99Å; E203-R323 IonicContact OE1-NH2 2.68Å; E203-R323 PolarHBondContact OE1-NH2 3.02Å; E203-R323 IonicContact OE2-CZ 3.8Å; E203-R323 IonicContact OE2-NH1 3.79Å; E203-R323 IonicContact OE2-NH2 2.76Å; E203-R323 PolarHBondContact OE2-NH2 2.9Å; A214-R323 VanDerWaalsContact O-CD 3.31Å; A214-R323 WeakPolarHBondContact O-CD 3.14Å; A214-R323 PolarHBondContact O-NH1 2.99Å; I217-R323 HydrophobicContact CB-CG 4.44Å; I217-R323 HydrophobicContact CG2-CG 3.96Å; L315-R323 VanDerWaalsContact O-CD 3.28Å; L315-R323 WeakPolarHBondContact O-CD 3.45Å; L315-R323 VanDerWaalsContact O-CG 3.27Å; L315-R323 WeakPolarHBondContact O-CG 3.38Å; T317-R323 PolarHBondContact O-NE 3.03Å; T317-R323 PolarHBondContact O-NH2 2.54Å; T317-R323 VanDerWaalsContact O-NH2 3.13Å; M318-R323 PolarHBondContact O-NH2 3.14Å; D319-R323 PolarHBondContact O-N 3.29Å
324I98.8Very high98.5Very high21 Ų2148.4 Ų48.411%0.10824%0.238CC..PPolyproline II helixtrans-62.1151.7-178.8-166.2162.2000111.5I217 K314 L315 Q328 A329I217-I324 HydrophobicContact CG2-CG2 4.47Å; I217-I324 WeakPolarHBondContact CG2-O 3.37Å; K314-I324 HydrophobicContact CB-CB 4.13Å; K314-I324 HydrophobicContact CB-CD1 4.31Å; K314-I324 HydrophobicContact CB-CG2 3.88Å; K314-I324 HydrophobicContact CD-CD1 3.89Å; L315-I324 HydrophobicContact CD2-CG2 3.8Å; L315-I324 HydrophobicContact CG-CG2 4.3Å; I324-Q328 HydrophobicContact CD1-CB 3.64Å; I324-Q328 HydrophobicContact CG1-CB 3.25Å; I324-Q328 HydrophobicContact CG1-CG 4.3Å; I324-A329 HydrophobicContact CG2-CB 4.36Å
325T98.8Very high98.5Very high63 Ų6344.8 Ų44.839%0.38722%0.222SC..PPolyproline II helixtrans-81.516717270.70000111.8E327 Q328 A329T325-E327 VanDerWaalsContact C-N 3.32Å; T325-E327 PolarHBondContact O-N 3.48Å; T325-Q328 PolarHBondContact O-N 3.11Å; T325-Q328 WeakPolarHBondContact OG1-CG 3.46Å; T325-Q328 PolarHBondContact OG1-N 3.1Å; T325-Q328 PolarHBondContact OG1-OE1 3.24Å; T325-A329 WeakPolarHBondContact O-CB 3.37Å; T325-A329 PolarHBondContact O-N 3.17Å
326S98.6Very high98.5Very high5 Ų551.4 Ų51.44%0.03526%0.257CS..Hα-helixtrans-60.6-41.1173.547.10000112.6H140 A329 M330H140-S326 WeakPolarHBondContact CA-OG 3.28Å; S326-A329 PolarHBondContact O-N 3.37Å; S326-M330 WeakPolarHBondContact O-CG 3.46Å; S326-M330 PolarHBondContact O-N 2.69Å
327E98.6Very high98.4Very high103 Ų10354.7 Ų54.748%0.48127%0.272SS..Hα-helixtrans-60.5-51.1176.2179.8179.8-156.900111.8T325 A329 M330 Q331T325-E327 VanDerWaalsContact C-N 3.32Å; T325-E327 PolarHBondContact O-N 3.48Å; E327-A329 VanDerWaalsContact C-N 3.26Å; E327-A329 PolarHBondContact O-N 3.31Å; E327-M330 PolarHBondContact O-N 3.15Å; E327-Q331 WeakPolarHBondContact O-CG 3.41Å; E327-Q331 PolarHBondContact O-N 3.19Å
328Q98.8Very high98.3Very high99 Ų9959.9 Ų59.946%0.46329%0.294SS..Hα-helixtrans-63-35.2178.4-71.1171.5-32.200111.5I324 T325 Q331 D332I324-Q328 HydrophobicContact CD1-CB 3.64Å; I324-Q328 HydrophobicContact CG1-CB 3.25Å; I324-Q328 HydrophobicContact CG1-CG 4.3Å; T325-Q328 PolarHBondContact O-N 3.11Å; T325-Q328 WeakPolarHBondContact OG1-CG 3.46Å; T325-Q328 PolarHBondContact OG1-N 3.1Å; T325-Q328 PolarHBondContact OG1-OE1 3.24Å; Q328-Q331 PolarHBondContact O-N 3.18Å; Q328-D332 PolarHBondContact O-N 2.91Å
329A98.8Very high98.2Very high0 Ų061.5 Ų61.50%031%0.307CS..Hα-helixtrans-66.4-43.8175.300000111.9L136 L311 L315 I324 T325 S326 E327 Q331 D332 F335L136-A329 HydrophobicContact CD1-CB 3.8Å; L136-A329 HydrophobicContact CD2-CB 3.87Å; L136-A329 HydrophobicContact CG-CB 4.49Å; L311-A329 HydrophobicContact CD1-CB 4.06Å; L315-A329 HydrophobicContact CD2-CB 4.16Å; I324-A329 HydrophobicContact CG2-CB 4.36Å; T325-A329 WeakPolarHBondContact O-CB 3.37Å; T325-A329 PolarHBondContact O-N 3.17Å; S326-A329 PolarHBondContact O-N 3.37Å; E327-A329 VanDerWaalsContact C-N 3.26Å; E327-A329 PolarHBondContact O-N 3.31Å; A329-Q331 PolarHBondContact O-N 3.41Å; A329-D332 WeakPolarHBondContact O-CB 3.41Å; A329-D332 PolarHBondContact O-N 3.38Å; A329-F335 WeakPolarHBondContact O-CD2 3.07Å; A329-F335 WeakPolarHBondContact O-CE2 3.46Å
330M98.8Very high98.2Very high31 Ų3165.1 Ų65.115%0.15333%0.325CS..Hα-helixtrans-61.4-28.1176.9-70.3171.270.500113Y133 L136 D137 H140 S326 E327 D332 F335Y133-M330 HydrophobicContact CE1-CE 4.29Å; Y133-M330 HydrophobicContact CE2-CB 4.26Å; Y133-M330 HydrophobicContact CE2-CE 4.4Å; Y133-M330 HydrophobicContact CE2-CG 4.48Å; L136-M330 HydrophobicContact CB-CG 3.62Å; L136-M330 HydrophobicContact CB-SD 4.28Å; L136-M330 HydrophobicContact CD1-CG 4.39Å; D137-M330 HydrophobicContact CB-CE 3.78Å; D137-M330 HydrophobicContact CB-SD 4.36Å; D137-M330 WeakPolarHBondContact OD1-CE 3.39Å; H140-M330 HydrophobicContact CB-SD 4Å; S326-M330 WeakPolarHBondContact O-CG 3.46Å; S326-M330 PolarHBondContact O-N 2.69Å; E327-M330 PolarHBondContact O-N 3.15Å; M330-D332 VanDerWaalsContact C-N 3.3Å; M330-F335 WeakPolarHBondContact O-CD2 3.27Å
331Q98.6Very high98.2Very high134 Ų13465.7 Ų65.763%0.62633%0.329SS*.THydrogen-bonded Turntrans-83.6-0.5176-65.6174.13.600113.5E327 Q328 A329E327-Q331 WeakPolarHBondContact O-CG 3.41Å; E327-Q331 PolarHBondContact O-N 3.19Å; Q328-Q331 PolarHBondContact O-N 3.18Å; A329-Q331 PolarHBondContact O-N 3.41Å
332D98.8Very high98.3Very high9 Ų961.8 Ų61.85%0.04831%0.312CS..SBendtrans-66.4140.1-176.7-169.1-81.9000111.9L311 K314 Q328 A329 M330 Y334 F335L311-D332 HydrophobicContact CD1-CB 3.87Å; L311-D332 HydrophobicContact CD2-CB 4.35Å; K314-D332 IonicContact NZ-OD2 2.77Å; K314-D332 PolarHBondContact NZ-OD2 3.3Å; Q328-D332 PolarHBondContact O-N 2.91Å; A329-D332 WeakPolarHBondContact O-CB 3.41Å; A329-D332 PolarHBondContact O-N 3.38Å; M330-D332 VanDerWaalsContact C-N 3.3Å; D332-Y334 PolarHBondContact O-N 3.18Å; D332-Y334 VanDerWaalsContact OD1-CB 3.32Å; D332-Y334 WeakPolarHBondContact OD1-CB 3.29Å; D332-Y334 PolarHBondContact OD1-N 3.04Å; D332-F335 PolarHBondContact O-N 3.25Å
333P98.6Very high98.3Very high67 Ų6759.3 Ų59.344%0.43532%0.317SS..G310 helixtrans-56.1-16.7178.5-27.735.7000115.4K307 F335 L336 E337K307-P333 HydrophobicContact CD-CB 4.1Å; K307-P333 WeakPolarHBondContact CD-O 3.39Å; P333-F335 PolarHBondContact O-N 3.4Å; P333-L336 PolarHBondContact O-N 2.91Å; P333-L336 VanDerWaalsContact O-N 3.17Å; P333-E337 PolarHBondContact O-N 2.98Å
334Y98.7Very high98.3Very high10 Ų1060.1 Ų60.14%0.03932%0.322CS..G310 helixtrans-54-36.7170.2176-120.8000112.8K129 L132 F224 K307 A308 L311 D332 L336K129-Y334 HydrophobicContact CB-CE1 4.08Å; K129-Y334 WeakPolarHBondContact CB-OH 2.81Å; K129-Y334 HydrophobicContact CD-CE1 4.32Å; K129-Y334 VanDerWaalsContact CE-CE2 3.49Å; K129-Y334 VanDerWaalsContact CE-O 3.29Å; K129-Y334 WeakPolarHBondContact CE-O 3.39Å; K129-Y334 HydrophobicContact CG-CD1 4.23Å; K129-Y334 HydrophobicContact CG-CE1 3.62Å; K129-Y334 PolarHBondContact NZ-O 3.48Å; L132-Y334 HydrophobicContact CD2-CE1 4.16Å; F224-Y334 HydrophobicContact CE2-CE1 4.31Å; F224-Y334 AromaticContact CZ-CE1 3.88Å; F224-Y334 HydrophobicContact CZ-CE1 3.88Å; K307-Y334 HydrophobicContact CB-CD2 4.13Å; A308-Y334 HydrophobicContact CB-CD2 3.98Å; A308-Y334 HydrophobicContact CB-CE2 3.56Å; L311-Y334 HydrophobicContact CD2-CD1 3.56Å; L311-Y334 HydrophobicContact CD2-CE1 4.38Å; L311-Y334 HydrophobicContact CD2-CG 4.17Å; D332-Y334 PolarHBondContact O-N 3.18Å; D332-Y334 VanDerWaalsContact OD1-CB 3.32Å; D332-Y334 WeakPolarHBondContact OD1-CB 3.29Å; D332-Y334 PolarHBondContact OD1-N 3.04Å; Y334-L336 VanDerWaalsContact C-N 3.35Å
335F98.7Very high98.3Very high9 Ų959.1 Ų59.14%0.03932%0.317CS..G310 helixtrans-81.9-13-179.6-62.2-58.5000114K129 L132 Y133 L136 L311 A329 M330 D332 P333 L340 P341K129-F335 HydrophobicContact CD-CD1 4.17Å; K129-F335 HydrophobicContact CG-CD1 3.65Å; K129-F335 HydrophobicContact CG-CE1 3.85Å; L132-F335 HydrophobicContact CB-CE1 4.49Å; L132-F335 HydrophobicContact CB-CZ 4.42Å; L132-F335 HydrophobicContact CD2-CE1 4.33Å; L132-F335 HydrophobicContact CD2-CZ 3.8Å; L132-F335 HydrophobicContact CG-CE1 4.46Å; L132-F335 HydrophobicContact CG-CZ 3.93Å; Y133-F335 HydrophobicContact CD2-CB 4.21Å; Y133-F335 AromaticContact CD2-CD1 3.67Å; Y133-F335 HydrophobicContact CD2-CD1 3.67Å; Y133-F335 AromaticContact CD2-CD2 3.93Å; Y133-F335 HydrophobicContact CD2-CD2 3.93Å; Y133-F335 AromaticContact CD2-CE1 3.93Å; Y133-F335 HydrophobicContact CD2-CE1 3.93Å; Y133-F335 HydrophobicContact CD2-CE2 4.16Å; Y133-F335 AromaticContact CD2-CG 3.66Å; Y133-F335 HydrophobicContact CD2-CG 3.66Å; Y133-F335 HydrophobicContact CD2-CZ 4.16Å; Y133-F335 HydrophobicContact CE2-CB 4.45Å; Y133-F335 HydrophobicContact CE2-CD2 4.42Å; Y133-F335 HydrophobicContact CE2-CG 4.28Å; Y133-F335 HydrophobicContact CG-CD1 4.31Å; Y133-F335 HydrophobicContact CG-CE1 4.33Å; L136-F335 HydrophobicContact CD1-CE2 3.79Å; L136-F335 HydrophobicContact CD1-CZ 3.72Å; L311-F335 HydrophobicContact CD2-CE2 3.8Å; L311-F335 HydrophobicContact CD2-CZ 3.91Å; A329-F335 WeakPolarHBondContact O-CD2 3.07Å; A329-F335 WeakPolarHBondContact O-CE2 3.46Å; M330-F335 WeakPolarHBondContact O-CD2 3.27Å; D332-F335 PolarHBondContact O-N 3.25Å; P333-F335 PolarHBondContact O-N 3.4Å; F335-L340 WeakPolarHBondContact O-CD2 3.32Å; F335-P341 HydrophobicContact CB-CG 4.18Å; F335-P341 HydrophobicContact CD1-CG 3.75Å; F335-P341 HydrophobicContact CG-CG 4.39Å; F335-P341 VanDerWaalsContact O-CD 3.31Å; F335-P341 WeakPolarHBondContact O-CD 3.18Å
336L97.9Very high98.3Very high138 Ų13856.8 Ų56.872%0.72330%0.301SS*.THydrogen-bonded Turntrans-93.1-12.3173.4-55.4179.4000112.7P333 Y334P333-L336 PolarHBondContact O-N 2.91Å; P333-L336 VanDerWaalsContact O-N 3.17Å; Y334-L336 VanDerWaalsContact C-N 3.35Å
337E97.8Very high98.2Very high71 Ų7159.7 Ų59.733%0.33233%0.325SS..SBendtrans-80.2142.6176.5-177.4171.8-92.800111.2K129 K307 P333 P339K129-E337 PolarHBondContact NZ-O 3.33Å; K307-E337 HydrophobicContact CD-CB 4.12Å; K307-E337 WeakPolarHBondContact CD-OE1 3.4Å; K307-E337 WeakPolarHBondContact CE-OE1 3.43Å; K307-E337 IonicContact NZ-OE1 2.73Å; K307-E337 PolarHBondContact NZ-OE1 3.31Å; P333-E337 PolarHBondContact O-N 2.98Å; E337-P339 CarbonylContact O-C 3.58Å; E337-P339 VanDerWaalsContact O-C 3.26Å
338E95.7Very high98.1Very high143 Ų14357.7 Ų57.767%0.66833%0.332SS*.SBendtrans-67.1142172.4-71-65.1168.700112L340E338-L340 PolarHBondContact OE2-N 2.96Å
339P96.5Very high98Very high61 Ų6156.9 Ų56.940%0.39634%0.337SS..SBendcis-70.3142.1-7.730.2-35.3000111.6K129 E337K129-P339 WeakPolarHBondContact CD-O 3.14Å; K129-P339 VanDerWaalsContact CE-O 3.28Å; K129-P339 WeakPolarHBondContact CE-O 3.08Å; K129-P339 PolarHBondContact NZ-O 2.88Å; E337-P339 CarbonylContact O-C 3.58Å; E337-P339 VanDerWaalsContact O-C 3.26Å
340L98.1Very high97.9Very high83 Ų8365.4 Ų65.444%0.43538%0.377SS..PPolyproline II helixtrans-67153.6172.1-62.7-179.9000112.1F335 E338F335-L340 WeakPolarHBondContact O-CD2 3.32Å; E338-L340 PolarHBondContact OE2-N 2.96Å
341P98.4Very high97.8Very high39 Ų3965.1 Ų65.125%0.25338%0.375SS..PPolyproline II helixtrans-57.9144.1170.3-20.931.6000112.4K129 Y133 F335K129-P341 HydrophobicContact CD-CG 4.1Å; K129-P341 HydrophobicContact CG-CG 4.1Å; Y133-P341 HydrophobicContact CD1-CB 4.4Å; Y133-P341 HydrophobicContact CD2-CG 4.15Å; Y133-P341 HydrophobicContact CG-CB 4.08Å; Y133-P341 HydrophobicContact CG-CG 4.12Å; F335-P341 HydrophobicContact CB-CG 4.18Å; F335-P341 HydrophobicContact CD1-CG 3.75Å; F335-P341 HydrophobicContact CG-CG 4.39Å; F335-P341 VanDerWaalsContact O-CD 3.31Å; F335-P341 WeakPolarHBondContact O-CD 3.18Å
342T98.6Very high97.6Very high55 Ų5562 Ų6234%0.33737%0.367SS..  trans-120.7147.3-179.955.20000111S130 Q134 D344S130-T342 WeakPolarHBondContact CB-O 3.45Å; S130-T342 PolarHBondContact OG-N 3.12Å; S130-T342 PolarHBondContact OG-OG1 2.92Å; Q134-T342 PolarHBondContact NE2-O 3.26Å; T342-D344 VanDerWaalsContact C-N 3.34Å; T342-D344 WeakPolarHBondContact CB-O 3.38Å; T342-D344 PolarHBondContact OG1-O 3.33Å
343S98.3Very high97.5Very high91 Ų9162.5 Ų62.564%0.63637%0.368SS*.SBendtrans-65.4-37175.4-56.20000112.6Q134Q134-S343 PolarHBondContact NE2-O 2.72Å
344D98.6Very high97.4Very high30 Ų3063.6 Ų63.616%0.1638%0.375CS..SBendtrans-93.1109.3166.617210.6000108.3R166 G167 T342 F346 A347 G348R166-D344 IonicContact CZ-OD2 2.94Å; R166-D344 IonicContact NH1-OD1 3.65Å; R166-D344 IonicContact NH1-OD2 2.85Å; R166-D344 PolarHBondContact NH1-OD2 3.14Å; R166-D344 WeakPolarHBondContact O-CA 3.4Å; R166-D344 WeakPolarHBondContact O-CB 3.25Å; G167-D344 WeakPolarHBondContact CA-OD1 3.42Å; T342-D344 VanDerWaalsContact C-N 3.34Å; T342-D344 WeakPolarHBondContact CB-O 3.38Å; T342-D344 PolarHBondContact OG1-O 3.33Å; D344-F346 PolarHBondContact O-N 3.06Å; D344-F346 WeakPolarHBondContact OD1-CB 3.41Å; D344-F346 WeakPolarHBondContact OD1-CD2 3.49Å; D344-F346 PolarHBondContact OD1-N 3.33Å; D344-A347 PolarHBondContact O-N 3.44Å; D344-G348 PolarHBondContact OD2-N 3.34Å
345V98.6Very high97.2Very high1 Ų170 Ų701%0.00640%0.403CS..THydrogen-bonded Turntrans-65-18.2-178.1-57.90000112.9M127 L131 V159 G167 V169 A347M127-V345 WeakPolarHBondContact CA-O 3.38Å; M127-V345 VanDerWaalsContact CB-O 3.27Å; M127-V345 WeakPolarHBondContact CB-O 3.43Å; M127-V345 HydrophobicContact CE-CG2 4.43Å; M127-V345 HydrophobicContact CG-CB 4.29Å; M127-V345 HydrophobicContact CG-CG2 4.46Å; M127-V345 VanDerWaalsContact CG-O 3.3Å; M127-V345 WeakPolarHBondContact CG-O 3.41Å; L131-V345 HydrophobicContact CD2-CB 4.19Å; L131-V345 HydrophobicContact CD2-CG1 3.92Å; L131-V345 HydrophobicContact CD2-CG2 4.05Å; L131-V345 HydrophobicContact CG-CB 4.18Å; L131-V345 HydrophobicContact CG-CG1 4.1Å; L131-V345 HydrophobicContact CG-CG2 4.42Å; V159-V345 HydrophobicContact CG1-CG2 3.84Å; G167-V345 WeakPolarHBondContact O-CG1 3.35Å; G167-V345 WeakPolarHBondContact O-CG2 3.34Å; G167-V345 PolarHBondContact O-N 3.08Å; V169-V345 HydrophobicContact CG2-CG1 4.38Å; V345-A347 VanDerWaalsContact C-N 3.32Å
346F98.1Very high97Very high14 Ų1471.9 Ų71.96%0.06141%0.41CS..THydrogen-bonded Turntrans-87.9-2.7174.5-47.1-58.2000112.4M127 V159 R166 G167 D344 G348 C349 I351 Y353M127-F346 HydrophobicContact CE-CD1 3.93Å; M127-F346 HydrophobicContact CE-CE1 3.61Å; M127-F346 HydrophobicContact SD-CD1 4.18Å; M127-F346 HydrophobicContact SD-CE1 4.45Å; V159-F346 HydrophobicContact CG1-CE1 4.35Å; V159-F346 HydrophobicContact CG1-CE2 3.92Å; V159-F346 HydrophobicContact CG1-CZ 3.52Å; R166-F346 HydrophobicContact CG-CD2 4.48Å; G167-F346 VanDerWaalsContact CA-CE2 3.5Å; D344-F346 PolarHBondContact O-N 3.06Å; D344-F346 WeakPolarHBondContact OD1-CB 3.41Å; D344-F346 WeakPolarHBondContact OD1-CD2 3.49Å; D344-F346 PolarHBondContact OD1-N 3.33Å; F346-G348 VanDerWaalsContact C-N 3.27Å; F346-G348 PolarHBondContact O-N 2.89Å; F346-C349 VanDerWaalsContact O-CB 3.24Å; F346-C349 WeakPolarHBondContact O-CB 3.49Å; F346-C349 PolarHBondContact O-N 3.31Å; F346-I351 HydrophobicContact CD2-CD1 3.67Å; F346-I351 HydrophobicContact CD2-CG1 3.8Å; F346-I351 HydrophobicContact CE1-CG2 4.4Å; F346-I351 HydrophobicContact CE2-CD1 3.55Å; F346-I351 HydrophobicContact CE2-CG1 4.04Å; F346-I351 HydrophobicContact CE2-CG2 4.47Å; F346-I351 HydrophobicContact CG-CD1 4.48Å; F346-I351 HydrophobicContact CG-CG1 4.13Å; F346-I351 HydrophobicContact CZ-CD1 4.32Å; F346-I351 HydrophobicContact CZ-CG2 4.25Å; F346-Y353 HydrophobicContact CD1-CE2 4.03Å; F346-Y353 AromaticContact CE1-CD2 3.93Å; F346-Y353 HydrophobicContact CE1-CD2 3.93Å; F346-Y353 AromaticContact CE1-CE2 3.53Å; F346-Y353 HydrophobicContact CE1-CE2 3.53Å; F346-Y353 HydrophobicContact CZ-CD2 4.44Å; F346-Y353 HydrophobicContact CZ-CE2 4.45Å
347A97.1Very high96.7Very high65 Ų6573.2 Ų73.254%0.53741%0.413SS..THydrogen-bonded Turntrans50.942176.100000113.6D344 V345 C349D344-A347 PolarHBondContact O-N 3.44Å; V345-A347 VanDerWaalsContact C-N 3.32Å; A347-C349 PolarHBondContact O-N 3.11Å
348G96.3Very high96.5Very high61 Ų6175 Ų7563%0.62942%0.419SS*.THydrogen-bonded Turntrans69.4-2.8-177.900000115.5D344 F346D344-G348 PolarHBondContact OD2-N 3.34Å; F346-G348 VanDerWaalsContact C-N 3.27Å; F346-G348 PolarHBondContact O-N 2.89Å
349C96.4Very high96.2Very high83 Ų8371 Ų7156%0.56140%0.403SS*.SBendtrans-73.9153.3176.4-64.20000110.8R166 F346 A347 I351R166-C349 PolarHBondContact NH1-O 3.08Å; R166-C349 PolarHBondContact NH2-O 3.49Å; F346-C349 VanDerWaalsContact O-CB 3.24Å; F346-C349 WeakPolarHBondContact O-CB 3.49Å; F346-C349 PolarHBondContact O-N 3.31Å; A347-C349 PolarHBondContact O-N 3.11Å; C349-I351 PolarHBondContact O-N 3.47Å
350Q96.8Very high95.5Very high179 Ų17972.4 Ų72.484%0.83641%0.41SS*.  trans-55.5134.9176.1-174178.88.800110.9P352Q350-P352 VanDerWaalsContact O-CD 3.28Å; Q350-P352 WeakPolarHBondContact O-CD 3.5Å
351I97.3Very high93.8Very high24 Ų2475.6 Ų75.612%0.12342%0.423CS..  trans-78.2115.7178.1-50.4-178000108.8E162 R166 F346 C349 Y353E162-I351 HydrophobicContact CG-CD1 4.24Å; E162-I351 WeakPolarHBondContact OE1-CD1 3.05Å; R166-I351 VanDerWaalsContact NH2-CG1 3.26Å; F346-I351 HydrophobicContact CD2-CD1 3.67Å; F346-I351 HydrophobicContact CD2-CG1 3.8Å; F346-I351 HydrophobicContact CE1-CG2 4.4Å; F346-I351 HydrophobicContact CE2-CD1 3.55Å; F346-I351 HydrophobicContact CE2-CG1 4.04Å; F346-I351 HydrophobicContact CE2-CG2 4.47Å; F346-I351 HydrophobicContact CG-CD1 4.48Å; F346-I351 HydrophobicContact CG-CG1 4.13Å; F346-I351 HydrophobicContact CZ-CD1 4.32Å; F346-I351 HydrophobicContact CZ-CG2 4.25Å; C349-I351 PolarHBondContact O-N 3.47Å; I351-Y353 VanDerWaalsContact C-N 3.34Å; I351-Y353 HydrophobicContact CG2-CD2 3.51Å; I351-Y353 HydrophobicContact CG2-CE2 4.29Å; I351-Y353 HydrophobicContact CG2-CG 4.27Å
352P95.1Very high91.9Very high69 Ų6982.4 Ų82.445%0.44845%0.451SS..  trans-87-6.8-17836.1-36.1000113F110 Q350F110-P352 HydrophobicContact CE1-CB 4.45Å; F110-P352 HydrophobicContact CE1-CG 4.46Å; F110-P352 HydrophobicContact CZ-CB 4.35Å; Q350-P352 VanDerWaalsContact O-CD 3.28Å; Q350-P352 WeakPolarHBondContact O-CD 3.5Å
353Y96.2Very high89.5Confident20 Ų2085.7 Ų85.78%0.07846%0.463CS..SBendtrans-78.8134.8-173.1-49.8-61.2000110.8I107 F110 H111 M127 F346 I351I107-Y353 HydrophobicContact CB-CE1 4.33Å; I107-Y353 HydrophobicContact CD1-CD2 4.38Å; I107-Y353 HydrophobicContact CD1-CE2 4.38Å; I107-Y353 HydrophobicContact CG1-CD1 4.12Å; I107-Y353 HydrophobicContact CG1-CD2 3.97Å; I107-Y353 HydrophobicContact CG1-CE1 4.23Å; I107-Y353 HydrophobicContact CG1-CE2 4.13Å; I107-Y353 HydrophobicContact CG1-CG 3.99Å; I107-Y353 HydrophobicContact CG2-CD1 4.5Å; I107-Y353 HydrophobicContact CG2-CE1 3.85Å; I107-Y353 HydrophobicContact CG2-CE2 4.42Å; F110-Y353 HydrophobicContact CB-CD1 4.22Å; F110-Y353 AromaticContact CD1-CD1 3.75Å; F110-Y353 HydrophobicContact CD1-CD1 3.75Å; F110-Y353 AromaticContact CD1-CE1 3.73Å; F110-Y353 HydrophobicContact CD1-CE1 3.73Å; F110-Y353 HydrophobicContact CE1-CD1 4.27Å; F110-Y353 HydrophobicContact CE1-CE1 4.24Å; F110-Y353 AromaticContact CG-CD1 3.98Å; F110-Y353 HydrophobicContact CG-CD1 3.98Å; F110-Y353 HydrophobicContact CG-CE1 4.37Å; H111-Y353 AromaticContact CD2-CE1 3.81Å; H111-Y353 AromaticContact NE2-CE1 3.4Å; H111-Y353 WeakPolarHBondContact NE2-CE1 3.49Å; H111-Y353 AromaticContact NE2-CZ 3.63Å; H111-Y353 PolarHBondContact NE2-OH 3.03Å; M127-Y353 HydrophobicContact CE-CE2 3.85Å; M127-Y353 WeakPolarHBondContact CE-OH 3.06Å; M127-Y353 HydrophobicContact SD-CE2 4.46Å; M127-Y353 PolarHBondContact SD-OH 3.3Å; M127-Y353 VanDerWaalsContact SD-OH 3.32Å; F346-Y353 HydrophobicContact CD1-CE2 4.03Å; F346-Y353 AromaticContact CE1-CD2 3.93Å; F346-Y353 HydrophobicContact CE1-CD2 3.93Å; F346-Y353 AromaticContact CE1-CE2 3.53Å; F346-Y353 HydrophobicContact CE1-CE2 3.53Å; F346-Y353 HydrophobicContact CZ-CD2 4.44Å; F346-Y353 HydrophobicContact CZ-CE2 4.45Å; I351-Y353 VanDerWaalsContact C-N 3.34Å; I351-Y353 HydrophobicContact CG2-CD2 3.51Å; I351-Y353 HydrophobicContact CG2-CE2 4.29Å; I351-Y353 HydrophobicContact CG2-CG 4.27Å
354P95.9Very high87Confident89 Ų8986.7 Ų86.758%0.57847%0.467SS*.PPolyproline II helixtrans-62.9152.817528.2-34.3000110.7
355K95.4Very high84.4Confident146 Ų14692.9 Ų92.964%0.63550%0.495SS*.PPolyproline II helixtrans-67160.3168.6-65.7-167.8178.7-174.60110.3E101 E357E101-K355 HydrophobicContact CG-CB 4.37Å; E101-K355 HydrophobicContact CG-CG 4.01Å; E101-K355 WeakPolarHBondContact OE1-CA 3.37Å; E101-K355 VanDerWaalsContact OE1-CB 3.3Å; E101-K355 WeakPolarHBondContact OE1-CB 3.5Å; K355-E357 PolarHBondContact O-N 3.23Å
356R93.4Very high81.6Confident48 Ų4899.8 Ų99.818%0.18153%0.532CS..PPolyproline II helixtrans-64.4135.2175.4-59.2-175-176.2-91.7-4.5110.1V27 Y99 A100 E101 H102 D103V27-R356 HydrophobicContact CB-CB 4.35Å; V27-R356 HydrophobicContact CG1-CB 4.22Å; Y99-R356 WeakPolarHBondContact OH-CD 3.31Å; A100-R356 PolarHBondContact O-NE 3.21Å; E101-R356 WeakPolarHBondContact O-CG 3.44Å; E101-R356 PolarHBondContact O-NE 2.97Å; E101-R356 PolarHBondContact OE1-N 2.85Å; E101-R356 VanDerWaalsContact OE1-N 3.11Å; H102-R356 PolarHBondContact O-NH2 3.4Å; D103-R356 IonicContact OD2-CZ 2.96Å; D103-R356 IonicContact OD2-NH1 3.63Å; D103-R356 PolarHBondContact OD2-NH1 3.01Å; D103-R356 IonicContact OD2-NH2 2.76Å; D103-R356 PolarHBondContact OD2-NH2 2.85Å
357E92.1Very high78.9Confident165 Ų165106.1 Ų106.177%0.77156%0.559SS**PPolyproline II helixtrans-79.1150.2171.8-66.1177.7-177.500110.1K355K355-E357 PolarHBondContact O-N 3.23Å
358F93.1Very high76Confident108 Ų108105.4 Ų105.447%0.47456%0.558SS.*PPolyproline II helixtrans-82.2133.9174-62-50.9000110.5C25 K26 V27 K37C25-F358 HydrophobicContact CB-CD1 4.31Å; C25-F358 HydrophobicContact CB-CE1 3.92Å; C25-F358 HydrophobicContact CB-CZ 4.32Å; K26-F358 CarbonylContact O-C 3.57Å; K26-F358 VanDerWaalsContact O-CA 3.28Å; K26-F358 WeakPolarHBondContact O-CA 3.49Å; V27-F358 HydrophobicContact CG1-CD1 3.67Å; V27-F358 HydrophobicContact CG1-CE1 3.79Å; K37-F358 HydrophobicContact CB-CE1 4Å; K37-F358 HydrophobicContact CD-CE1 4.22Å; K37-F358 HydrophobicContact CD-CZ 4.31Å
359L89.1Confident73.5Confident61 Ų61109.3 Ų109.332%0.31957%0.565SS.*PPolyproline II helixtrans-83.9123.9173.9-56.3177000108.7K26 R29K26-L359 HydrophobicContact CG-CB 4.45Å; K26-L359 PolarHBondContact O-N 2.91Å; R29-L359 HydrophobicContact CB-CD1 4.45Å
360T82.2Confident70.8Confident90 Ų90114 Ų11455%0.55258%0.575SS**PPolyproline II helixtrans-75.1151.4169.960.90000109.6E362 E363T360-E362 PolarHBondContact O-N 3.17Å; T360-E362 VanDerWaalsContact O-N 3.15Å; T360-E363 PolarHBondContact O-N 2.87Å; T360-E363 WeakPolarHBondContact OG1-CG 3.29Å
361E63.6Low67.7Low150 Ų150115.1 Ų115.170%0.70158%0.578SS**THydrogen-bonded Turntrans-68.5-14.1-174-51.3-149.7120.300113.8K26K26-E361 IonicContact NZ-OE1 3.55Å; K26-E361 PolarHBondContact NZ-OE1 3.24Å
362E56.9Low64.6Low181 Ų181121.9 Ų121.985%0.84661%0.614SS**THydrogen-bonded Turntrans-93.9-5.7-176.1-64.2-169164.800114.5T360 P364T360-E362 PolarHBondContact O-N 3.17Å; T360-E362 VanDerWaalsContact O-N 3.15Å; E362-P364 WeakPolarHBondContact O-CD 3.12Å
363E49.5Very low62Low125 Ų125127 Ų12758%0.58463%0.632SS**  trans-74.9114178.9-64.6-145.3152.900111.3T360T360-E363 PolarHBondContact O-N 2.87Å; T360-E363 WeakPolarHBondContact OG1-CG 3.29Å
364P46.4Very low59Low112 Ų112135.2 Ų135.273%0.72767%0.671SS**  trans-67.4153.4167.429.8-31.9000109.6E362 D366E362-P364 WeakPolarHBondContact O-CD 3.12Å; P364-D366 PolarHBondContact O-N 3.15Å; P364-D366 VanDerWaalsContact O-N 3.12Å
365E43.7Very low56Low159 Ų159139.8 Ų139.874%0.74369%0.685SS**  trans-29.8115.2177.4-65.4177.2164.800112.4K367E365-K367 PolarHBondContact O-N 3.28Å
366D38.9Very low53Low147 Ų147142.2 Ų142.279%0.78670%0.698SS**  trans-63.893.2164.6-166.112.2000106.8P364 G368P364-D366 PolarHBondContact O-N 3.15Å; P364-D366 VanDerWaalsContact O-N 3.12Å; D366-G368 PolarHBondContact O-N 3.06Å; D366-G368 PolarHBondContact OD1-N 3.25Å
367K41.3Very low50.1Low147 Ų147149.6 Ų149.664%0.63974%0.735SS**  trans-66.667.1156-71.1-176.3179.3175.90106.6E365 D369E365-K367 PolarHBondContact O-N 3.28Å; K367-D369 PolarHBondContact O-N 3.44Å
368G37.6Very low47.1Very low49 Ų49145.1 Ų145.151%0.50573%0.733SS.*THydrogen-bonded Turntrans-67.978.117900000109.3D366D366-G368 PolarHBondContact O-N 3.06Å; D366-G368 PolarHBondContact OD1-N 3.25Å
369D42.8Very low44Very low144 Ų144147 Ų14777%0.7775%0.748SS**THydrogen-bonded Turntrans-173.813.3157.1-98.3-21.6000114.6K367K367-D369 PolarHBondContact O-N 3.44Å
370K38.9Very low41.2Very low180 Ų180152.3 Ų152.378%0.78378%0.776SS**SBendtrans-104.1-5.5-175.7-78.8-169.5176.9-174.20118.1
371K31.6Very low38.8Very low204 Ų204156 Ų15689%0.88779%0.787SS**SBendtrans-109.7-0.1-170.4-90.3-175.1177.1178.10119.2
372N33.4Very low37.3Very low165 Ų165155.5 Ų155.588%0.88280%0.795SS**SBendtrans-117.927.8-177.4-92.52.4000117
373Q39.1Very low36Very low176 Ų176155 Ų15582%0.82280%0.798SS**SBendtrans-112.716.3179.8-80.5-173.217.200116.6
374Q33.3Very low35Very low193 Ų193152.9 Ų152.990%0.90281%0.81SS**SBendtrans-117.917.7-178.1-110.1178.315.400117.9
375Q33.5Very low34.2Very low186 Ų186152.5 Ų152.587%0.86982%0.816SS**SBendtrans-134.777167.9-81-177.8-1.400112
376Q33Very low33.3Very low197 Ų197148.4 Ų148.492%0.92182%0.817SS**  trans-164.766.8153.3-112.5168.953.100110.7
377Q32.2Very low33Very low203 Ų203150.7 Ų150.795%0.94982%0.822SS**  trans-137.7114.1151.9-83.8-171.46.800108.1
378G30.1Very low32.3Very low71 Ų71150 Ų15073%0.73283%0.83SS**  trans135.175.5174.100000113
379N27.2Very low31.9Very low147 Ų147151.5 Ų151.579%0.78685%0.846SS**  trans-179.494.7137.5-98.61.3000110.5
380N30.9Very low31.1Very low172 Ų172152.2 Ų152.292%0.9285%0.85SS**  trans-101.4109152.6-98-3.2000107.4
381H30.8Very low31.7Very low167 Ų167148 Ų14877%0.77384%0.841SS**  trans-87.2130.6160.6-94.8-33.1000109
382T31.4Very low31.5Very low141 Ų141144.8 Ų144.887%0.86583%0.834SS**  trans-114126.9154.539.90000108.6
383N30Very low31.3Very low169 Ų169143.8 Ų143.890%0.90483%0.828SS**  trans-67155.9177-70.4-30000112.6
384G28Very low30.8Very low81 Ų81139.4 Ų139.484%0.83582%0.817SS**  trans154.1119.9154.600000114.6
385A29.8Very low30.8Very low105 Ų105139.1 Ų139.187%0.86882%0.815SS**  trans-76.9150.3-166.200000116.6
386G26.4Very low30.6Very low73 Ų73134.4 Ų134.475%0.75381%0.808SS**  trans42.4118.4138.500000121.6
387H30.8Very low30.4Very low194 Ų194134.5 Ų134.590%0.89881%0.809SS**  -173.6159.6111.7-114.6-16.4000112.6
388T28.6Very low30.2Very low132 Ų132128.4 Ų128.481%0.8180%0.8SS**  trans-69.3151.6-176.4450000114.9
389G27.6Very low30.6Very low82 Ų82131.1 Ų131.185%0.84581%0.805SS**  trans149.6113.115600000115.5
390N26.9Very low31.3Very low158 Ų158129 Ų12985%0.84580%0.799SS**  trans-88.6-172.7170.4-14929.6000109.1
391P51.4Low31.1Very low91 Ų91128.3 Ų128.359%0.59180%0.795SS**  -120.3-166.1-85.838.4-21.4000113.2
392D27.1Very low31.1Very low138 Ų138130.1 Ų130.174%0.73880%0.8SS**  trans109.8133.4147.8-76.1-17.5000122
393N29.3Very low30.9Very low143 Ų143133.4 Ų133.477%0.76580%0.802SS**  trans72.3142.1146.8-81.3-19.9000119.4
394S29.6Very low30.8Very low85 Ų85131.7 Ų131.759%0.59480%0.798SS**  cis-176.9155.50.743.50000109.3
395H31.4Very low30.7Very low186 Ų186139 Ų13986%0.86180%0.801SS**  trans55.2142.4150.3-64.1-51000120.6
396A29.6Very low30.6Very low87 Ų87140 Ų14072%0.71980%0.795SS**  cis-161148.627.500000113.5
397Q29.6Very low30.8Very low200 Ų200142.5 Ų142.594%0.93580%0.796SS**  trans18.2131.9141.3-58.5177.4-11.200119.1
398G27Very low30.9Very low74 Ų74138.6 Ų138.676%0.76379%0.788SS**  cis133.5174.132.100000107.3
399P38.3Very low31.7Very low129 Ų129137.5 Ų137.584%0.83878%0.783SS**  cis-132.4-149.3-17.536.8-11.8000110.9
400P42Very low31.6Very low103 Ų103140 Ų14067%0.66978%0.782SS**  -128.4-174.1-89.242-24.1000115.3
401L27Very low31.7Very low157 Ų157138.3 Ų138.382%0.82278%0.777SS**  trans80.3110.2155.4-61.9160000119.5
402K31.6Very low30.5Very low205 Ų205140.3 Ų140.389%0.89179%0.788SS**  -171.9114.8101.8-98.2173.6-176.5178.90111.2
403K26.6Very low30.6Very low209 Ų209139.5 Ų139.591%0.90979%0.793SS**  trans-90.9137.6162.3-78.4-179.5175.3178.20108.8
404V28.2Very low30.4Very low134 Ų134136.6 Ų136.681%0.81280%0.797SS**  trans-141.1100.6156.2-178.60000104.7
405R25.9Very low30.2Very low235 Ų235136 Ų13689%0.88780%0.804SS**  69.9111.175.8-158.7174.2-167.4-178.85113.4
406V28.6Very low29.9Very low124 Ų124135.4 Ų135.475%0.75281%0.807SS**  trans-87.3164.8165.5-179.60000109
407V28.9Very low29.8Very low126 Ų126139.4 Ų139.476%0.76482%0.815SS**  trans104.3142.6158.4-174.50000114.5
408P33.2Very low29.7Very low113 Ų113137.3 Ų137.373%0.73481%0.809SS**  cis-144.1-152.4-36.749.9-29.4000111.9
409P45.8Very low29.7Very low109 Ų109138.8 Ų138.871%0.70881%0.807SS**  trans-98.6171.4-161.743.6-39000115.2
410T26.3Very low29.2Very low134 Ų134139 Ų13982%0.82281%0.807SS**  trans-174.7128.1141.828.10000115.1
411T28.2Very low28.5Very low122 Ų122142.2 Ų142.275%0.74881%0.813SS**  trans14.5135.1143.753.40000123.7
412T27.2Very low28.5Very low133 Ų133146 Ų14682%0.81682%0.818SS**  -167.4125.8112.18.80000113.9
413S27.8Very low28.4Very low121 Ų121144.6 Ų144.685%0.84681%0.814SS**  trans38.4129.7136.2-38.50000123.6
414G25.5Very low28.5Very low82 Ų82146.6 Ų146.685%0.84582%0.816SS**  trans164.198.7154.500000112
415G24.5Very low28.5Very low73 Ų73146 Ų14675%0.75382%0.818SS**  trans-85.9170.2-170.700000116.2
416L26.1Very low28.7Very low174 Ų174141.9 Ų141.991%0.91181%0.813SS**  trans-179.3121.1131.5-98.7155.3000109.1
417L27.1Very low29.1Very low171 Ų171141.1 Ų141.190%0.89581%0.811SS**  trans-86.7130.3171.4-78.1156.5000108.8
418I28.2Very low29.1Very low156 Ų156144.1 Ų144.180%0.882%0.816SS**  trans-135.2111.9152.4-67.2-175000108.5
419S26Very low29Very low105 Ų105143.4 Ų143.473%0.73482%0.82SS**  trans-65.413816445.30000111.1
420T28.1Very low28.3Very low134 Ų134142.9 Ų142.982%0.82282%0.824SS**  trans-114.6117.1163.323.60000109.5
421E26.9Very low28.4Very low170 Ų170147.8 Ų147.879%0.79483%0.83SS**  trans-70.1138177.5-69.5175.9137.600111.4Q423E421-Q423 PolarHBondContact O-N 3.16Å
422Y27.8Very low28.5Very low237 Ų237151.2 Ų151.293%0.92984%0.837SS**  trans-78.9106.9162.4-98.5-98.1000109
423Q28.8Very low28.6Very low175 Ų175152.4 Ų152.482%0.81884%0.839SS**  trans-90125.7166.9-92.6-179.1-1000111.3E421E421-Q423 PolarHBondContact O-N 3.16Å
424R29.3Very low29.6Very low251 Ų251152.3 Ų152.395%0.94784%0.835SS**  trans-62.4132.4165.9-69.9176.5176.6177.9-1.6110
425S29.3Very low29.6Very low122 Ų122151.7 Ų151.785%0.85383%0.829SS**  trans-108.2119.6162.446.40000109.8
426N29.3Very low30.6Very low147 Ų147154.1 Ų154.179%0.78683%0.831SS**  trans-100.7144.8169.3-150.925.7000107.7
427P36.2Very low30.7Very low108 Ų108150.8 Ų150.870%0.70182%0.823SS**  trans-94.2123.1-172.933.5-27.5000111.9
428H28.9Very low30.8Very low190 Ų190148.8 Ų148.888%0.8882%0.818SS**  trans-147.3112162.8-95-34.4000111.3
429A31.2Very low30.9Very low98 Ų98145.8 Ų145.881%0.8181%0.81SS**  trans-151.295.6153.700000105.6
430A31.6Very low31.2Very low97 Ų97148.4 Ų148.480%0.80282%0.815SS**  68.497.98600000112.4
431Y28.8Very low32Very low238 Ų238147.5 Ų147.593%0.93381%0.812SS**  trans-63.8133.4164.6-82.7-98.7000110.6
432Q30Very low32.3Very low193 Ų193148.8 Ų148.890%0.90282%0.818SS**  trans-140.5126.8154.6-84.5-173.1-10.700110.4
433N29.5Very low32.5Very low159 Ų159143.4 Ų143.485%0.8582%0.815SS**  trans-160.1162.7162.1-129.4-3.8000105.5
434P48.4Very low32.6Very low119 Ų119140 Ų14077%0.77381%0.81SS**  cis-144174.5338.1-17.4000117.2
435G26.7Very low32.7Very low69 Ų69137.2 Ų137.271%0.71181%0.81SS**  trans107.6169.2140.400000118.2
436P43.6Very low32.7Very low123 Ų123134.9 Ų134.980%0.79981%0.805SS**  cis-130.1164.7-39.838.3-24.3000112.1
437S28.5Very low32.8Very low105 Ų105139.1 Ų139.173%0.73481%0.812SS**  trans165.2126135.844.60000114.5
438T30.5Very low32.6Very low129 Ų129139.9 Ų139.979%0.79182%0.82SS**  trans57.1145.7136.259.50000121.5
439S30Very low32.7Very low92 Ų92136 Ų13664%0.64381%0.814SS**  cis169.8126.7-28.144.90000105.8
440L32.8Very low32.8Very low161 Ų161138.1 Ų138.184%0.84382%0.817SS**  trans74.6159.6152.6-67.1162.6000120.8
441P44.3Very low32.8Very low115 Ų115138.5 Ų138.575%0.74781%0.814SS**  cis-130.6160.6-13.623.4-0.7000116.1
442Q33.1Very low33Very low196 Ų196136.7 Ų136.792%0.91681%0.814SS**  trans-70.9147.4160.1-72.4169.6-46.600111.3
443S31.8Very low33.3Very low125 Ų125136.4 Ų136.487%0.87481%0.812SS**  trans-117.9139.7158.349.30000109.8
444S30.9Very low33.8Very low102 Ų102134.2 Ų134.271%0.71381%0.807SS**  trans-120.9167-17651.60000110.1
445M32.5Very low33.4Very low194 Ų194134.2 Ų134.296%0.95681%0.807SS**  trans86.8138.2171.4-50.2-158-155.800116.1
446G28.7Very low33.7Very low72 Ų72139.9 Ų139.974%0.74282%0.815SS**  cis-169.8176.61300000114.3
447Y31.3Very low33.1Very low236 Ų236144.9 Ų144.993%0.92582%0.819SS**  trans-62.5144.5174-82.6-98.3000112.4
448S31.4Very low33.2Very low124 Ų124145 Ų14587%0.86782%0.821SS**  trans-153.9126.3144.7-810000110.8
449S32.1Very low33.3Very low110 Ų110147.3 Ų147.377%0.76982%0.822SS**  trans-75.2137.4173.348.90000111.7
450T32Very low33.4Very low142 Ų142152 Ų15287%0.87183%0.834SS**  trans-156.8128.2142.26.30000111.6
451S31.4Very low33.4Very low104 Ų104149.9 Ų149.973%0.72783%0.828SS**  trans-59.5142.1166.650.80000113.3
452Q34.2Very low33Very low201 Ų201152.7 Ų152.794%0.93983%0.83SS**  trans-165.8148.2134.9-105.8171.641.200111.4
453Q35.3Very low33.2Very low186 Ų186153.7 Ų153.787%0.86983%0.826SS**PPolyproline II helixtrans-69.4165.5-162.6-77.1-179.8-28.300116.3
454P40.8Very low33.6Very low114 Ų114161.8 Ų161.874%0.7484%0.839SS**PPolyproline II helixtrans-86.7155.7177.235.8-33.4000112.4
455P40.8Very low33.7Very low118 Ų118164.8 Ų164.877%0.76685%0.846SS**PPolyproline II helixtrans-81.4128.3166.330.4-27.6000111
456Q31.2Very low33.8Very low188 Ų188163.3 Ų163.388%0.87984%0.84SS**PPolyproline II helixtrans-61.7137.7164-68.2170.7-32.300110.3
457Y31.6Very low34.1Very low228 Ų228168.3 Ų168.389%0.89485%0.845SS**  trans-126.8122.6150.7-93.7-82000109.5
458S31.3Very low34.2Very low109 Ų109164.4 Ų164.476%0.76284%0.841SS**  trans-78.3145.8-175.448.10000112.9
459H32.6Very low34.4Very low177 Ų177166.9 Ų166.982%0.81984%0.839SS**  trans-49.2140.4159.2-84.6-76.5000112.8
460Q32.1Very low34.6Very low189 Ų189170.7 Ų170.788%0.88384%0.844SS**  trans-140.5122.8143.7-111.5178.4800111
461T31.4Very low34.8Very low118 Ų118172.7 Ų172.772%0.72484%0.842SS**  trans-86.2136.7169.329.40000110
462H36.5Very low35Very low173 Ų173178 Ų17880%0.80185%0.851SS**  trans-161.1114.1148.9-90.7-54.2000107.8
463R36.8Very low35.1Very low217 Ų217176.1 Ų176.182%0.81984%0.843SS**  41112.8108.8-70.5-171.6-178174.90.6112
464Y40.6Very low35.1Very low296 Ų296175.2 Ų175.2100%1.16184%0.841SS**  -147053.9-99.3-95.6000112

Retrieved 464 of 464 residues in 250.1 ms (Link to these results)

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