A0A077Z9W6_TRITR Loading...

Ubiquitin thioesterase OTUB1

AlphaFold DB , UniProt , Accession A0A077Z9W6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 162 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
1M86.2Confident94.5Very high87 Ų8770 Ų7043%0.42932%0.322SS..  0-410-156.351.57200113.4R3 I4 L5 L36 I39 K40M1-R3 PolarHBondContact O-N 2.76Å; M1-I4 WeakPolarHBondContact O-CG2 3.48Å; M1-I4 PolarHBondContact O-N 3.23Å; M1-I4 HydrophobicContact SD-CG2 3.59Å; M1-I4 VanDerWaalsContact SD-CG2 3.59Å; M1-L5 HydrophobicContact CG-CD1 4.09Å; M1-L5 PolarHBondContact O-N 3.35Å; M1-L36 WeakPolarHBondContact CG-O 3.39Å; M1-L36 HydrophobicContact SD-CB 3.88Å; M1-L36 HydrophobicContact SD-CD2 3.75Å; M1-L36 HydrophobicContact SD-CG 4.37Å; M1-I39 HydrophobicContact CE-CB 3.63Å; M1-I39 HydrophobicContact CE-CD1 4.25Å; M1-I39 HydrophobicContact CE-CG2 3.3Å; M1-K40 HydrophobicContact CB-CB 4.33Å; M1-K40 HydrophobicContact CB-CG 4.24Å; M1-K40 HydrophobicContact CG-CB 3.79Å; M1-K40 HydrophobicContact CG-CG 4.2Å
2E91.8Very high94.6Very high135 Ų13567.3 Ų67.363%0.63131%0.309SS*.Hα-helixtrans-62.9-39-177.3-59.7-172.8155.200113.9K6 K40E2-K6 WeakPolarHBondContact O-CB 3.5Å; E2-K6 PolarHBondContact O-N 2.93Å; E2-K40 IonicContact OE1-NZ 2.76Å; E2-K40 PolarHBondContact OE1-NZ 3.29Å
3R93.8Very high94.7Very high134 Ų13465.8 Ų65.851%0.50632%0.316SS..Hα-helixtrans-55.6-54.1174.6-173.8-17378.4-144.15.9111.9M1 L5 K6 V7 T119M1-R3 PolarHBondContact O-N 2.76Å; R3-L5 PolarHBondContact O-N 3.05Å; R3-K6 WeakPolarHBondContact O-CB 3.5Å; R3-K6 PolarHBondContact O-N 3.03Å; R3-V7 WeakPolarHBondContact O-CG2 3.33Å; R3-V7 PolarHBondContact O-N 3.27Å; R3-T119 PolarHBondContact NH2-OG1 3.24Å
4I93.8Very high94.9Very high31 Ų3161.8 Ų61.816%0.15930%0.297CS..Hα-helixtrans-66.2-40-174.9-172.764.7000111.5M1 K6 V7 T8 L36 L117M1-I4 WeakPolarHBondContact O-CG2 3.48Å; M1-I4 PolarHBondContact O-N 3.23Å; M1-I4 HydrophobicContact SD-CG2 3.59Å; M1-I4 VanDerWaalsContact SD-CG2 3.59Å; I4-K6 VanDerWaalsContact C-N 3.33Å; I4-K6 PolarHBondContact O-N 3.49Å; I4-V7 PolarHBondContact O-N 2.9Å; I4-T8 WeakPolarHBondContact O-CB 3.3Å; I4-T8 PolarHBondContact O-N 3.38Å; I4-T8 PolarHBondContact O-OG1 3.03Å; I4-L36 HydrophobicContact CG1-CD1 3.96Å; I4-L36 HydrophobicContact CG1-CD2 4.35Å; I4-L36 HydrophobicContact CG2-CD1 4.08Å; I4-L36 HydrophobicContact CG2-CD2 4.01Å; I4-L117 HydrophobicContact CD1-CD2 3.86Å
5L95.5Very high94.9Very high18 Ų1857.7 Ų57.79%0.09428%0.277CS..Hα-helixtrans-58.7-43.4172.6-77.9164.9000112.2M1 R3 T8 N9 L36 L37 K40M1-L5 HydrophobicContact CG-CD1 4.09Å; M1-L5 PolarHBondContact O-N 3.35Å; R3-L5 PolarHBondContact O-N 3.05Å; L5-T8 PolarHBondContact O-N 3.32Å; L5-N9 WeakPolarHBondContact O-CB 3.26Å; L5-N9 PolarHBondContact O-N 3.33Å; L5-N9 PolarHBondContact O-ND2 3.23Å; L5-L36 HydrophobicContact CD2-CB 3.58Å; L5-L36 HydrophobicContact CD2-CD1 3.97Å; L5-L36 HydrophobicContact CD2-CG 4.45Å; L5-L36 HydrophobicContact CG-CB 3.96Å; L5-L36 HydrophobicContact CG-CD1 4.24Å; L5-L37 HydrophobicContact CD1-CD2 3.77Å; L5-L37 HydrophobicContact CD1-CG 4.4Å; L5-L37 HydrophobicContact CD2-CD2 4.13Å; L5-L37 HydrophobicContact CD2-CG 3.96Å; L5-K40 HydrophobicContact CD1-CD 4.36Å
6K96.3Very high94.9Very high134 Ų13456.9 Ų56.958%0.58328%0.275SS*.Hα-helixtrans-62.1-46.6176.1-176.3-177.3177-175.80111.2E2 R3 I4 N9 Q10E2-K6 WeakPolarHBondContact O-CB 3.5Å; E2-K6 PolarHBondContact O-N 2.93Å; R3-K6 WeakPolarHBondContact O-CB 3.5Å; R3-K6 PolarHBondContact O-N 3.03Å; I4-K6 VanDerWaalsContact C-N 3.33Å; I4-K6 PolarHBondContact O-N 3.49Å; K6-N9 PolarHBondContact O-N 3.29Å; K6-Q10 WeakPolarHBondContact O-CB 3.31Å; K6-Q10 VanDerWaalsContact O-CG 3.26Å; K6-Q10 WeakPolarHBondContact O-CG 3.34Å; K6-Q10 PolarHBondContact O-N 3.04Å
7V96Very high94.9Very high18 Ų1861.6 Ų61.611%0.10930%0.297CS..Hα-helixtrans-60.9-46.8178.1169.30000111R3 I4 N9 Q10 W11 A116 L117R3-V7 WeakPolarHBondContact O-CG2 3.33Å; R3-V7 PolarHBondContact O-N 3.27Å; I4-V7 PolarHBondContact O-N 2.9Å; V7-N9 VanDerWaalsContact C-N 3.35Å; V7-N9 PolarHBondContact O-N 3.23Å; V7-Q10 WeakPolarHBondContact O-CB 3.38Å; V7-Q10 PolarHBondContact O-N 3.19Å; V7-W11 PolarHBondContact O-N 3.48Å; V7-A116 WeakPolarHBondContact CG1-O 3.45Å; V7-L117 HydrophobicContact CG1-CD2 4.18Å
8T95.8Very high94.8Very high0 Ų061.8 Ų61.80%030%0.296CS..Hα-helixtrans-57.5-45.6176.2-60.50000111.8I4 L5 Q10 W11 K12 F29 F32 S33I4-T8 WeakPolarHBondContact O-CB 3.3Å; I4-T8 PolarHBondContact O-N 3.38Å; I4-T8 PolarHBondContact O-OG1 3.03Å; L5-T8 PolarHBondContact O-N 3.32Å; T8-Q10 PolarHBondContact O-N 3.01Å; T8-W11 PolarHBondContact O-N 3.39Å; T8-K12 PolarHBondContact O-N 2.93Å; T8-F29 HydrophobicContact CG2-CD1 3.73Å; T8-F29 HydrophobicContact CG2-CE1 4.42Å; T8-F29 WeakPolarHBondContact O-CD1 3.45Å; T8-F32 HydrophobicContact CG2-CD1 3.78Å; T8-F32 HydrophobicContact CG2-CE1 4.36Å; T8-F32 WeakPolarHBondContact OG1-CE1 3.45Å; T8-S33 WeakPolarHBondContact CG2-OG 3.47Å
9N95.7Very high94.7Very high90 Ų9061.9 Ų61.948%0.48132%0.316SS..Hα-helixtrans-66.5-36.2177.1-73.3-26.2000113L5 K6 V7 K12 A13L5-N9 WeakPolarHBondContact O-CB 3.26Å; L5-N9 PolarHBondContact O-N 3.33Å; L5-N9 PolarHBondContact O-ND2 3.23Å; K6-N9 PolarHBondContact O-N 3.29Å; V7-N9 VanDerWaalsContact C-N 3.35Å; V7-N9 PolarHBondContact O-N 3.23Å; N9-K12 PolarHBondContact O-N 2.94Å; N9-A13 PolarHBondContact O-N 3.03Å
10Q96.9Very high94.4Very high97 Ų9762.2 Ų62.245%0.45331%0.313SS..Hα-helixtrans-65.5-40.7175.6-75.1172.4-37.400111.8K6 V7 T8 A13 T14K6-Q10 WeakPolarHBondContact O-CB 3.31Å; K6-Q10 VanDerWaalsContact O-CG 3.26Å; K6-Q10 WeakPolarHBondContact O-CG 3.34Å; K6-Q10 PolarHBondContact O-N 3.04Å; V7-Q10 WeakPolarHBondContact O-CB 3.38Å; V7-Q10 PolarHBondContact O-N 3.19Å; T8-Q10 PolarHBondContact O-N 3.01Å; Q10-A13 PolarHBondContact O-N 2.93Å; Q10-T14 PolarHBondContact O-N 3.4Å; Q10-T14 PolarHBondContact O-OG1 3.36Å
11W97.1Very high94Very high26 Ų2666 Ų6610%0.09833%0.328CS..Hα-helixtrans-70.8-36.5175.8-73.5118.4000112.6V7 T8 A13 T14 M15 F29 I68 Y72 K75 A116V7-W11 PolarHBondContact O-N 3.48Å; T8-W11 PolarHBondContact O-N 3.39Å; W11-A13 PolarHBondContact O-N 2.75Å; W11-T14 HydrophobicContact CE3-CG2 3.93Å; W11-T14 HydrophobicContact CZ3-CG2 3.93Å; W11-T14 WeakPolarHBondContact O-CB 3.31Å; W11-T14 PolarHBondContact O-N 3.04Å; W11-T14 VanDerWaalsContact O-N 3.13Å; W11-M15 WeakPolarHBondContact O-CG 3.14Å; W11-M15 PolarHBondContact O-N 2.81Å; W11-F29 HydrophobicContact CB-CE1 3.95Å; W11-F29 HydrophobicContact CB-CZ 4.25Å; W11-I68 HydrophobicContact CB-CG1 3.69Å; W11-I68 HydrophobicContact CD2-CG2 4.28Å; W11-I68 HydrophobicContact CG-CB 4.32Å; W11-I68 HydrophobicContact CG-CG1 3.86Å; W11-I68 HydrophobicContact CG-CG2 3.99Å; W11-Y72 AromaticContact CH2-CD2 3.76Å; W11-Y72 HydrophobicContact CH2-CD2 3.76Å; W11-Y72 HydrophobicContact CH2-CG 4.27Å; W11-Y72 AromaticContact CZ2-CD2 3.7Å; W11-Y72 HydrophobicContact CZ2-CD2 3.7Å; W11-Y72 HydrophobicContact CZ2-CG 4.42Å; W11-K75 HydrophobicContact CH2-CD 4.35Å; W11-K75 HydrophobicContact CZ3-CD 4.09Å; W11-A116 HydrophobicContact CZ2-CB 3.87Å; W11-A116 PolarHBondContact NE1-O 3.18Å
12K96.5Very high94.2Very high38 Ų3865.3 Ų65.317%0.16533%0.325CS..Hα-helixtrans-54.9-51.2169.2-176.1-178.8175169.10110.9T8 N9 T14 M15 D16 D26 F29 E30T8-K12 PolarHBondContact O-N 2.93Å; N9-K12 PolarHBondContact O-N 2.94Å; K12-T14 VanDerWaalsContact C-N 3.27Å; K12-T14 PolarHBondContact O-N 2.95Å; K12-M15 WeakPolarHBondContact O-CB 3.34Å; K12-M15 PolarHBondContact O-N 3.41Å; K12-M15 VanDerWaalsContact O-N 3.11Å; K12-D16 PolarHBondContact O-N 2.86Å; K12-D26 WeakPolarHBondContact CE-OD1 3.47Å; K12-D26 IonicContact NZ-OD1 3.04Å; K12-D26 PolarHBondContact NZ-OD1 3.31Å; K12-F29 HydrophobicContact CB-CB 4.12Å; K12-F29 HydrophobicContact CB-CD1 3.78Å; K12-F29 HydrophobicContact CB-CD2 4.19Å; K12-F29 HydrophobicContact CB-CE1 4.23Å; K12-F29 HydrophobicContact CB-CG 3.77Å; K12-F29 HydrophobicContact CD-CB 3.91Å; K12-F29 HydrophobicContact CD-CG 4.46Å; K12-F29 HydrophobicContact CG-CB 4.03Å; K12-F29 HydrophobicContact CG-CD2 4.24Å; K12-F29 HydrophobicContact CG-CG 4.04Å; K12-E30 IonicContact NZ-OE1 2.93Å; K12-E30 PolarHBondContact NZ-OE1 2.97Å
13A96.2Very high94.1Very high48 Ų4864.7 Ų64.740%0.39733%0.326SS..Hα-helixtrans-62.4-33.5176.700000112.9N9 Q10 W11 M15 D16 E17N9-A13 PolarHBondContact O-N 3.03Å; Q10-A13 PolarHBondContact O-N 2.93Å; W11-A13 PolarHBondContact O-N 2.75Å; A13-M15 VanDerWaalsContact C-N 3.34Å; A13-D16 WeakPolarHBondContact O-CB 3.48Å; A13-D16 PolarHBondContact O-N 3.11Å; A13-E17 WeakPolarHBondContact O-CG 3.16Å; A13-E17 PolarHBondContact O-N 3.29Å; A13-E17 VanDerWaalsContact O-N 3.08Å
14T96.3Very high94.1Very high9 Ų961 Ų616%0.05532%0.321CS..Hα-helixtrans-66.2-35.5174.6-61.60000112.2Q10 W11 K12 D16 E17 F18 K75Q10-T14 PolarHBondContact O-N 3.4Å; Q10-T14 PolarHBondContact O-OG1 3.36Å; W11-T14 HydrophobicContact CE3-CG2 3.93Å; W11-T14 HydrophobicContact CZ3-CG2 3.93Å; W11-T14 WeakPolarHBondContact O-CB 3.31Å; W11-T14 PolarHBondContact O-N 3.04Å; W11-T14 VanDerWaalsContact O-N 3.13Å; K12-T14 VanDerWaalsContact C-N 3.27Å; K12-T14 PolarHBondContact O-N 2.95Å; T14-D16 VanDerWaalsContact C-N 3.3Å; T14-D16 PolarHBondContact O-N 3.25Å; T14-E17 WeakPolarHBondContact O-CB 3.39Å; T14-E17 PolarHBondContact O-N 3.5Å; T14-F18 HydrophobicContact CG2-CD2 3.93Å; T14-F18 HydrophobicContact CG2-CE2 3.54Å; T14-F18 HydrophobicContact CG2-CZ 4.06Å; T14-F18 WeakPolarHBondContact O-CD2 3.29Å; T14-F18 PolarHBondContact O-N 3.4Å; T14-F18 VanDerWaalsContact O-N 3.08Å; T14-K75 HydrophobicContact CG2-CD 3.91Å; T14-K75 HydrophobicContact CG2-CG 4.38Å; T14-K75 VanDerWaalsContact CG2-NZ 3.28Å; T14-K75 PolarHBondContact OG1-NZ 3.35Å
15M96Very high94.1Very high0 Ų060.1 Ų60.10%032%0.316CS..Hα-helixtrans-63.8-39.4174.5-66.2-5997.500111.3W11 K12 A13 F18 G19 Y20 I25 F29 L67 F70 G71W11-M15 WeakPolarHBondContact O-CG 3.14Å; W11-M15 PolarHBondContact O-N 2.81Å; K12-M15 WeakPolarHBondContact O-CB 3.34Å; K12-M15 PolarHBondContact O-N 3.41Å; K12-M15 VanDerWaalsContact O-N 3.11Å; A13-M15 VanDerWaalsContact C-N 3.34Å; M15-F18 HydrophobicContact CE-CD2 3.82Å; M15-F18 HydrophobicContact CE-CE2 4.23Å; M15-F18 PolarHBondContact O-N 3.37Å; M15-G19 PolarHBondContact O-N 3.37Å; M15-Y20 WeakPolarHBondContact O-CB 3.45Å; M15-Y20 PolarHBondContact O-N 3.18Å; M15-I25 HydrophobicContact CB-CG2 4.06Å; M15-I25 HydrophobicContact CG-CG2 4.33Å; M15-F29 HydrophobicContact CG-CE2 3.84Å; M15-F29 HydrophobicContact CG-CZ 4.06Å; M15-L67 HydrophobicContact SD-CB 4.12Å; M15-L67 HydrophobicContact SD-CD2 4.29Å; M15-F70 HydrophobicContact CE-CD1 4.01Å; M15-F70 HydrophobicContact CE-CE1 4.3Å; M15-F70 HydrophobicContact SD-CD1 3.82Å; M15-F70 HydrophobicContact SD-CE1 4.08Å; M15-G71 VanDerWaalsContact CE-CA 3.4Å
16D94.4Very high94.1Very high46 Ų4661 Ų6125%0.24632%0.321CS..Hα-helixtrans-60.2-44.4172.9-82.99.9000111.7K12 A13 T14 F18 G19 K21K12-D16 PolarHBondContact O-N 2.86Å; A13-D16 WeakPolarHBondContact O-CB 3.48Å; A13-D16 PolarHBondContact O-N 3.11Å; T14-D16 VanDerWaalsContact C-N 3.3Å; T14-D16 PolarHBondContact O-N 3.25Å; D16-F18 VanDerWaalsContact C-N 3.27Å; D16-F18 PolarHBondContact O-N 2.96Å; D16-G19 PolarHBondContact O-N 2.89Å; D16-K21 HydrophobicContact CB-CB 4.49Å; D16-K21 WeakPolarHBondContact OD1-CB 3.43Å; D16-K21 WeakPolarHBondContact OD1-CG 3.33Å; D16-K21 IonicContact OD2-NZ 2.65Å; D16-K21 PolarHBondContact OD2-NZ 3.46Å
17E94.1Very high94.1Very high136 Ų13658 Ų5864%0.63631%0.309SS*.Hα-helixtrans-59.9-35.9176.5-70.1168.6179.400112.4A13 T14 G19 K75A13-E17 WeakPolarHBondContact O-CG 3.16Å; A13-E17 PolarHBondContact O-N 3.29Å; A13-E17 VanDerWaalsContact O-N 3.08Å; T14-E17 WeakPolarHBondContact O-CB 3.39Å; T14-E17 PolarHBondContact O-N 3.5Å; E17-G19 PolarHBondContact O-N 2.93Å; E17-K75 IonicContact OE2-NZ 2.96Å; E17-K75 PolarHBondContact OE2-NZ 3.24Å
18F93.8Very high94.1Very high65 Ų6558.8 Ų58.829%0.28531%0.311SS..THydrogen-bonded Turntrans-80.22.1175.8-67.7-31.3000114.2T14 M15 D16 Y20 F70 R74 K75T14-F18 HydrophobicContact CG2-CD2 3.93Å; T14-F18 HydrophobicContact CG2-CE2 3.54Å; T14-F18 HydrophobicContact CG2-CZ 4.06Å; T14-F18 WeakPolarHBondContact O-CD2 3.29Å; T14-F18 PolarHBondContact O-N 3.4Å; T14-F18 VanDerWaalsContact O-N 3.08Å; M15-F18 HydrophobicContact CE-CD2 3.82Å; M15-F18 HydrophobicContact CE-CE2 4.23Å; M15-F18 PolarHBondContact O-N 3.37Å; D16-F18 VanDerWaalsContact C-N 3.27Å; D16-F18 PolarHBondContact O-N 2.96Å; F18-Y20 HydrophobicContact CB-CD2 3.76Å; F18-Y20 HydrophobicContact CB-CE2 4.11Å; F18-F70 HydrophobicContact CD2-CE1 4.4Å; F18-R74 HydrophobicContact CD2-CB 4.42Å; F18-R74 HydrophobicContact CE1-CB 4.45Å; F18-R74 HydrophobicContact CE2-CB 3.6Å; F18-R74 HydrophobicContact CE2-CG 4.45Å; F18-R74 HydrophobicContact CZ-CB 3.6Å; F18-K75 HydrophobicContact CE2-CG 4.31Å; F18-K75 HydrophobicContact CZ-CG 3.66Å
19G93.1Very high94.2Very high65 Ų6558.8 Ų58.867%0.6731%0.311SS*.THydrogen-bonded Turntrans82.611.5178.900000114.6M15 D16 E17 K21M15-G19 PolarHBondContact O-N 3.37Å; D16-G19 PolarHBondContact O-N 2.89Å; E17-G19 PolarHBondContact O-N 2.93Å; G19-K21 PolarHBondContact O-N 3.5Å
20Y88.7Confident94.2Very high66 Ų6659.5 Ų59.526%0.25931%0.311SS..  trans-86.324.9175.1-69.9-94.8000112.8M15 F18 N22 I25 F70M15-Y20 WeakPolarHBondContact O-CB 3.45Å; M15-Y20 PolarHBondContact O-N 3.18Å; F18-Y20 HydrophobicContact CB-CD2 3.76Å; F18-Y20 HydrophobicContact CB-CE2 4.11Å; Y20-N22 PolarHBondContact O-N 3.41Å; Y20-I25 VanDerWaalsContact O-CG1 3.31Å; Y20-I25 WeakPolarHBondContact O-CG1 3.49Å; Y20-F70 HydrophobicContact CD2-CE1 4Å; Y20-F70 HydrophobicContact CD2-CZ 4.43Å; Y20-F70 AromaticContact CE2-CE1 3.52Å; Y20-F70 HydrophobicContact CE2-CE1 3.52Å; Y20-F70 AromaticContact CE2-CZ 3.52Å; Y20-F70 HydrophobicContact CE2-CZ 3.52Å; Y20-F70 AromaticContact CZ-CE1 3.8Å; Y20-F70 AromaticContact CZ-CZ 3.65Å; Y20-F70 WeakPolarHBondContact OH-CZ 3.39Å
21K85.6Confident94.2Very high144 Ų14456.4 Ų56.463%0.62630%0.299SS*.  trans-72.798-179.2-173.1171.3-167.11220111.2D16 G19D16-K21 HydrophobicContact CB-CB 4.49Å; D16-K21 WeakPolarHBondContact OD1-CB 3.43Å; D16-K21 WeakPolarHBondContact OD1-CG 3.33Å; D16-K21 IonicContact OD2-NZ 2.65Å; D16-K21 PolarHBondContact OD2-NZ 3.46Å; G19-K21 PolarHBondContact O-N 3.5Å
22N90.7Very high94.2Very high71 Ų7155.7 Ų55.738%0.3830%0.297SS..SBendtrans-149.7163.7172.268.864000111.7Y20 S24 I25 D26Y20-N22 PolarHBondContact O-N 3.41Å; N22-S24 VanDerWaalsContact C-N 3.27Å; N22-S24 PolarHBondContact O-N 2.94Å; N22-S24 WeakPolarHBondContact OD1-CB 3.5Å; N22-S24 PolarHBondContact OD1-N 3.46Å; N22-I25 WeakPolarHBondContact ND2-CG1 3.26Å; N22-I25 PolarHBondContact O-N 2.76Å; N22-I25 VanDerWaalsContact O-N 3.16Å; N22-I25 WeakPolarHBondContact OD1-CG1 3.48Å; N22-I25 PolarHBondContact OD1-N 3.36Å; N22-D26 PolarHBondContact O-N 3.23Å; N22-D26 VanDerWaalsContact O-N 3.12Å
23L90.1Very high94.2Very high123 Ų12354.5 Ų54.564%0.64429%0.293SS*.Hα-helixtrans-56.1-39.4-176.2-176.765.1000112.8D26 E27L23-D26 WeakPolarHBondContact O-CB 2.82Å; L23-D26 PolarHBondContact O-N 2.64Å; L23-E27 HydrophobicContact CG-CG 4.47Å; L23-E27 VanDerWaalsContact O-CG 3.3Å; L23-E27 WeakPolarHBondContact O-CG 3.46Å; L23-E27 PolarHBondContact O-N 3.47Å
24S92.9Very high94.2Very high56 Ų5653.9 Ų53.939%0.39229%0.286SS..Hα-helixtrans-66.9-40.5-179.2-54.60000112.1N22 D26 E27 F28N22-S24 VanDerWaalsContact C-N 3.27Å; N22-S24 PolarHBondContact O-N 2.94Å; N22-S24 WeakPolarHBondContact OD1-CB 3.5Å; N22-S24 PolarHBondContact OD1-N 3.46Å; S24-D26 VanDerWaalsContact C-N 3.34Å; S24-E27 PolarHBondContact O-N 3.3Å; S24-F28 WeakPolarHBondContact O-CD2 3.26Å; S24-F28 WeakPolarHBondContact O-CE2 3.42Å; S24-F28 WeakPolarHBondContact O-CG 3.44Å; S24-F28 PolarHBondContact O-N 3.22Å
25I94.3Very high94.2Very high12 Ų1253.5 Ų53.56%0.06228%0.283CS..Hα-helixtrans-63.6-43.1175.5-60-66.3000110.3M15 Y20 N22 E27 F28 F29 L67M15-I25 HydrophobicContact CB-CG2 4.06Å; M15-I25 HydrophobicContact CG-CG2 4.33Å; Y20-I25 VanDerWaalsContact O-CG1 3.31Å; Y20-I25 WeakPolarHBondContact O-CG1 3.49Å; N22-I25 WeakPolarHBondContact ND2-CG1 3.26Å; N22-I25 PolarHBondContact O-N 2.76Å; N22-I25 VanDerWaalsContact O-N 3.16Å; N22-I25 WeakPolarHBondContact OD1-CG1 3.48Å; N22-I25 PolarHBondContact OD1-N 3.36Å; I25-E27 PolarHBondContact O-N 3.49Å; I25-F28 HydrophobicContact CD1-CD2 4.14Å; I25-F28 HydrophobicContact CD1-CE2 4.29Å; I25-F28 PolarHBondContact O-N 3.49Å; I25-F29 HydrophobicContact CG2-CD2 4.01Å; I25-F29 HydrophobicContact CG2-CE2 4.05Å; I25-F29 WeakPolarHBondContact O-CD2 3.48Å; I25-F29 PolarHBondContact O-N 3.34Å; I25-L67 HydrophobicContact CD1-CD1 3.43Å; I25-L67 VanDerWaalsContact CD1-CD1 3.43Å; I25-L67 HydrophobicContact CD1-CD2 3.92Å; I25-L67 HydrophobicContact CD1-CG 4.33Å; I25-L67 HydrophobicContact CG2-CD1 4.32Å
26D95.2Very high94.2Very high38 Ų3854.1 Ų54.120%0.20329%0.287CS..Hα-helixtrans-57.2-48.2174.3-76.1-32.1000111.6K12 N22 L23 S24 F28 F29 E30K12-D26 WeakPolarHBondContact CE-OD1 3.47Å; K12-D26 IonicContact NZ-OD1 3.04Å; K12-D26 PolarHBondContact NZ-OD1 3.31Å; N22-D26 PolarHBondContact O-N 3.23Å; N22-D26 VanDerWaalsContact O-N 3.12Å; L23-D26 WeakPolarHBondContact O-CB 2.82Å; L23-D26 PolarHBondContact O-N 2.64Å; S24-D26 VanDerWaalsContact C-N 3.34Å; D26-F28 PolarHBondContact O-N 2.8Å; D26-F29 PolarHBondContact O-N 3.27Å; D26-E30 VanDerWaalsContact O-CB 3.26Å; D26-E30 WeakPolarHBondContact O-CB 3.31Å; D26-E30 WeakPolarHBondContact O-CG 3.35Å; D26-E30 PolarHBondContact O-N 2.96Å
27E96.4Very high94.3Very high71 Ų7155.7 Ų55.733%0.33230%0.295SS..Hα-helixtrans-61-39.7179.7-75172.916400112.9L23 S24 I25 T31 Y60L23-E27 HydrophobicContact CG-CG 4.47Å; L23-E27 VanDerWaalsContact O-CG 3.3Å; L23-E27 WeakPolarHBondContact O-CG 3.46Å; L23-E27 PolarHBondContact O-N 3.47Å; S24-E27 PolarHBondContact O-N 3.3Å; I25-E27 PolarHBondContact O-N 3.49Å; E27-T31 VanDerWaalsContact O-CB 3.27Å; E27-T31 WeakPolarHBondContact O-CB 3.49Å; E27-T31 PolarHBondContact O-N 2.88Å; E27-T31 PolarHBondContact O-OG1 3.37Å; E27-Y60 HydrophobicContact CB-CE2 4.17Å
28F96.7Very high94.3Very high34 Ų3452 Ų5215%0.14928%0.278CS..Hα-helixtrans-60.6-56177.1-59.7-40.7000110.6S24 I25 D26 E30 T31 F32 Y60 V63 S64 L67S24-F28 WeakPolarHBondContact O-CD2 3.26Å; S24-F28 WeakPolarHBondContact O-CE2 3.42Å; S24-F28 WeakPolarHBondContact O-CG 3.44Å; S24-F28 PolarHBondContact O-N 3.22Å; I25-F28 HydrophobicContact CD1-CD2 4.14Å; I25-F28 HydrophobicContact CD1-CE2 4.29Å; I25-F28 PolarHBondContact O-N 3.49Å; D26-F28 PolarHBondContact O-N 2.8Å; F28-E30 VanDerWaalsContact C-N 3.32Å; F28-E30 PolarHBondContact O-N 2.85Å; F28-T31 PolarHBondContact O-N 2.84Å; F28-F32 PolarHBondContact O-N 2.65Å; F28-Y60 AromaticContact CD1-CD1 3.95Å; F28-Y60 HydrophobicContact CD1-CD1 3.95Å; F28-Y60 AromaticContact CD1-CD2 3.58Å; F28-Y60 HydrophobicContact CD1-CD2 3.58Å; F28-Y60 HydrophobicContact CD1-CE1 4.29Å; F28-Y60 AromaticContact CD1-CE2 3.94Å; F28-Y60 HydrophobicContact CD1-CE2 3.94Å; F28-Y60 AromaticContact CD1-CG 3.57Å; F28-Y60 HydrophobicContact CD1-CG 3.57Å; F28-Y60 AromaticContact CE1-CD1 3.87Å; F28-Y60 HydrophobicContact CE1-CD1 3.87Å; F28-Y60 HydrophobicContact CE1-CD2 4.03Å; F28-Y60 AromaticContact CE1-CE1 3.82Å; F28-Y60 HydrophobicContact CE1-CE1 3.82Å; F28-Y60 AromaticContact CE1-CE2 3.98Å; F28-Y60 HydrophobicContact CE1-CE2 3.98Å; F28-Y60 AromaticContact CE1-CG 3.97Å; F28-Y60 HydrophobicContact CE1-CG 3.97Å; F28-Y60 AromaticContact CE1-CZ 3.88Å; F28-V63 HydrophobicContact CB-CG1 4.36Å; F28-V63 HydrophobicContact CD1-CB 4.14Å; F28-V63 HydrophobicContact CD1-CG1 4.09Å; F28-V63 HydrophobicContact CD2-CB 4.23Å; F28-V63 HydrophobicContact CD2-CG1 3.33Å; F28-V63 HydrophobicContact CE1-CB 4.41Å; F28-V63 HydrophobicContact CE1-CG1 4.23Å; F28-V63 HydrophobicContact CE1-CG2 4.49Å; F28-V63 HydrophobicContact CE2-CG1 3.52Å; F28-V63 HydrophobicContact CG-CB 4.07Å; F28-V63 HydrophobicContact CG-CG1 3.67Å; F28-V63 HydrophobicContact CZ-CG1 3.98Å; F28-S64 PolarHBondContact O-OG 3.16Å; F28-L67 HydrophobicContact CD2-CD1 4.01Å
29F97.2Very high94.4Very high0 Ų051.6 Ų51.60%028%0.278CS..Hα-helixtrans-64.6-35.8-178.6-82.2-86.1000112.5T8 W11 K12 M15 I25 D26 S33 S64 L67 I68T8-F29 HydrophobicContact CG2-CD1 3.73Å; T8-F29 HydrophobicContact CG2-CE1 4.42Å; T8-F29 WeakPolarHBondContact O-CD1 3.45Å; W11-F29 HydrophobicContact CB-CE1 3.95Å; W11-F29 HydrophobicContact CB-CZ 4.25Å; K12-F29 HydrophobicContact CB-CB 4.12Å; K12-F29 HydrophobicContact CB-CD1 3.78Å; K12-F29 HydrophobicContact CB-CD2 4.19Å; K12-F29 HydrophobicContact CB-CE1 4.23Å; K12-F29 HydrophobicContact CB-CG 3.77Å; K12-F29 HydrophobicContact CD-CB 3.91Å; K12-F29 HydrophobicContact CD-CG 4.46Å; K12-F29 HydrophobicContact CG-CB 4.03Å; K12-F29 HydrophobicContact CG-CD2 4.24Å; K12-F29 HydrophobicContact CG-CG 4.04Å; M15-F29 HydrophobicContact CG-CE2 3.84Å; M15-F29 HydrophobicContact CG-CZ 4.06Å; I25-F29 HydrophobicContact CG2-CD2 4.01Å; I25-F29 HydrophobicContact CG2-CE2 4.05Å; I25-F29 WeakPolarHBondContact O-CD2 3.48Å; I25-F29 PolarHBondContact O-N 3.34Å; D26-F29 PolarHBondContact O-N 3.27Å; F29-S33 VanDerWaalsContact O-CB 3.26Å; F29-S33 WeakPolarHBondContact O-CB 3Å; F29-S33 PolarHBondContact O-N 3.22Å; F29-S33 PolarHBondContact O-OG 3.27Å; F29-S64 PolarHBondContact N-OG 3.25Å; F29-L67 HydrophobicContact CE2-CB 4.02Å; F29-L67 HydrophobicContact CE2-CD1 3.9Å; F29-L67 HydrophobicContact CZ-CB 4.08Å; F29-I68 HydrophobicContact CE1-CD1 4.1Å; F29-I68 HydrophobicContact CE1-CG1 3.81Å; F29-I68 HydrophobicContact CZ-CG1 4.06Å
30E96.6Very high94.5Very high104 Ų10453.5 Ų53.549%0.48627%0.268SS..Hα-helixtrans-68.2-41.5176.5-76.6172.1-164.800112K12 D26 F28 F32 S33 S34K12-E30 IonicContact NZ-OE1 2.93Å; K12-E30 PolarHBondContact NZ-OE1 2.97Å; D26-E30 VanDerWaalsContact O-CB 3.26Å; D26-E30 WeakPolarHBondContact O-CB 3.31Å; D26-E30 WeakPolarHBondContact O-CG 3.35Å; D26-E30 PolarHBondContact O-N 2.96Å; F28-E30 VanDerWaalsContact C-N 3.32Å; F28-E30 PolarHBondContact O-N 2.85Å; E30-F32 PolarHBondContact O-N 3Å; E30-S33 PolarHBondContact O-N 3.14Å; E30-S34 WeakPolarHBondContact O-CB 3.4Å; E30-S34 PolarHBondContact O-N 3.23Å
31T96.8Very high94.9Very high32 Ų3258.9 Ų58.920%0.19629%0.292CS..Hα-helixtrans-59.9-48.4174.7-61.60000110.4E27 F28 S33 S34 I35 V57 Y60E27-T31 VanDerWaalsContact O-CB 3.27Å; E27-T31 WeakPolarHBondContact O-CB 3.49Å; E27-T31 PolarHBondContact O-N 2.88Å; E27-T31 PolarHBondContact O-OG1 3.37Å; F28-T31 PolarHBondContact O-N 2.84Å; T31-S33 PolarHBondContact O-N 3.36Å; T31-S34 WeakPolarHBondContact O-CB 3.36Å; T31-S34 PolarHBondContact O-N 2.98Å; T31-S34 PolarHBondContact O-OG 3.05Å; T31-I35 PolarHBondContact O-N 3.47Å; T31-V57 HydrophobicContact CG2-CG1 4.24Å; T31-Y60 HydrophobicContact CG2-CD2 4.49Å
32F96.5Very high95.4Very high12 Ų1255 Ų555%0.05329%0.293CS..Hα-helixtrans-63.7-43.4177.2-176.6-121.9000112.2T8 F28 E30 S34 I35 L36 A61 M65T8-F32 HydrophobicContact CG2-CD1 3.78Å; T8-F32 HydrophobicContact CG2-CE1 4.36Å; T8-F32 WeakPolarHBondContact OG1-CE1 3.45Å; F28-F32 PolarHBondContact O-N 2.65Å; E30-F32 PolarHBondContact O-N 3Å; F32-S34 VanDerWaalsContact C-N 3.28Å; F32-S34 PolarHBondContact O-N 3.43Å; F32-I35 WeakPolarHBondContact O-CB 3.37Å; F32-I35 PolarHBondContact O-N 3.26Å; F32-L36 HydrophobicContact CD1-CD1 4.09Å; F32-L36 HydrophobicContact CE1-CD1 3.63Å; F32-L36 HydrophobicContact CE1-CG 4.23Å; F32-L36 HydrophobicContact CE2-CD2 4.32Å; F32-L36 HydrophobicContact CE2-CG 4.38Å; F32-L36 HydrophobicContact CZ-CD1 3.91Å; F32-L36 HydrophobicContact CZ-CD2 3.95Å; F32-L36 HydrophobicContact CZ-CG 4.06Å; F32-L36 PolarHBondContact O-N 3.34Å; F32-A61 HydrophobicContact CD2-CB 3.88Å; F32-M65 HydrophobicContact CD1-CE 4.35Å; F32-M65 HydrophobicContact CD2-CE 4.39Å; F32-M65 HydrophobicContact CE1-CE 3.53Å; F32-M65 HydrophobicContact CE2-CE 3.6Å; F32-M65 HydrophobicContact CZ-CE 3.11Å
33S96.9Very high95.7Very high12 Ų1253.2 Ų53.28%0.08428%0.283CS..Hα-helixtrans-62.2-34.2176.8-61.60000112.6T8 F29 E30 T31 L36 L37T8-S33 WeakPolarHBondContact CG2-OG 3.47Å; F29-S33 VanDerWaalsContact O-CB 3.26Å; F29-S33 WeakPolarHBondContact O-CB 3Å; F29-S33 PolarHBondContact O-N 3.22Å; F29-S33 PolarHBondContact O-OG 3.27Å; E30-S33 PolarHBondContact O-N 3.14Å; T31-S33 PolarHBondContact O-N 3.36Å; S33-L36 PolarHBondContact O-N 2.95Å; S33-L37 WeakPolarHBondContact O-CB 3.42Å; S33-L37 VanDerWaalsContact O-CG 3.31Å; S33-L37 WeakPolarHBondContact O-CG 3.47Å; S33-L37 PolarHBondContact O-N 3.2Å
34S95.9Very high96Very high35 Ų3551.2 Ų51.225%0.24527%0.273CS..Hα-helixtrans-61.1-44.4176.479.80000111.4E30 T31 F32 L36 L37 E38 R51E30-S34 WeakPolarHBondContact O-CB 3.4Å; E30-S34 PolarHBondContact O-N 3.23Å; T31-S34 WeakPolarHBondContact O-CB 3.36Å; T31-S34 PolarHBondContact O-N 2.98Å; T31-S34 PolarHBondContact O-OG 3.05Å; F32-S34 VanDerWaalsContact C-N 3.28Å; F32-S34 PolarHBondContact O-N 3.43Å; S34-L36 PolarHBondContact O-N 2.86Å; S34-L37 PolarHBondContact O-N 2.98Å; S34-E38 VanDerWaalsContact O-CG 3.3Å; S34-E38 WeakPolarHBondContact O-CG 3.46Å; S34-E38 PolarHBondContact O-N 3.04Å; S34-R51 PolarHBondContact OG-NH2 3.25Å
35I96Very high96.1Very high1 Ų157.6 Ų57.61%0.00529%0.294CS..Hα-helixtrans-59.8-49176.3-59.2168.1000109.7T31 F32 L37 E38 I39 L48 F52 V57 A61T31-I35 PolarHBondContact O-N 3.47Å; F32-I35 WeakPolarHBondContact O-CB 3.37Å; F32-I35 PolarHBondContact O-N 3.26Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 3.28Å; I35-E38 PolarHBondContact O-N 2.75Å; I35-I39 HydrophobicContact CG2-CD1 3.99Å; I35-I39 HydrophobicContact CG2-CG1 4.5Å; I35-I39 VanDerWaalsContact O-CG1 3.29Å; I35-I39 WeakPolarHBondContact O-CG1 3.38Å; I35-I39 PolarHBondContact O-N 3.27Å; I35-L48 HydrophobicContact CG2-CD1 3.89Å; I35-F52 HydrophobicContact CD1-CE2 4.39Å; I35-F52 HydrophobicContact CD1-CZ 4.32Å; I35-F52 HydrophobicContact CG2-CE2 3.8Å; I35-F52 HydrophobicContact CG2-CZ 4.37Å; I35-V57 HydrophobicContact CD1-CG1 3.55Å; I35-V57 HydrophobicContact CG1-CG1 4.1Å; I35-A61 HydrophobicContact CD1-CB 4.43Å
36L96Very high96.2Very high13 Ų1363.7 Ų63.77%0.06832%0.322CS..Hα-helixtrans-60.8-40.2179.4-63.9178000112.6M1 I4 L5 F32 S33 S34 K40M1-L36 WeakPolarHBondContact CG-O 3.39Å; M1-L36 HydrophobicContact SD-CB 3.88Å; M1-L36 HydrophobicContact SD-CD2 3.75Å; M1-L36 HydrophobicContact SD-CG 4.37Å; I4-L36 HydrophobicContact CG1-CD1 3.96Å; I4-L36 HydrophobicContact CG1-CD2 4.35Å; I4-L36 HydrophobicContact CG2-CD1 4.08Å; I4-L36 HydrophobicContact CG2-CD2 4.01Å; L5-L36 HydrophobicContact CD2-CB 3.58Å; L5-L36 HydrophobicContact CD2-CD1 3.97Å; L5-L36 HydrophobicContact CD2-CG 4.45Å; L5-L36 HydrophobicContact CG-CB 3.96Å; L5-L36 HydrophobicContact CG-CD1 4.24Å; F32-L36 HydrophobicContact CD1-CD1 4.09Å; F32-L36 HydrophobicContact CE1-CD1 3.63Å; F32-L36 HydrophobicContact CE1-CG 4.23Å; F32-L36 HydrophobicContact CE2-CD2 4.32Å; F32-L36 HydrophobicContact CE2-CG 4.38Å; F32-L36 HydrophobicContact CZ-CD1 3.91Å; F32-L36 HydrophobicContact CZ-CD2 3.95Å; F32-L36 HydrophobicContact CZ-CG 4.06Å; F32-L36 PolarHBondContact O-N 3.34Å; S33-L36 PolarHBondContact O-N 2.95Å; S34-L36 PolarHBondContact O-N 2.86Å; L36-K40 PolarHBondContact O-N 3.08Å
37L96.4Very high96.3Very high79 Ų7964.6 Ų64.641%0.41433%0.329SS..Hα-helixtrans-67.9-37.9177.1-74.8172.1000112.2L5 S33 S34 I35 K40 K41L5-L37 HydrophobicContact CD1-CD2 3.77Å; L5-L37 HydrophobicContact CD1-CG 4.4Å; L5-L37 HydrophobicContact CD2-CD2 4.13Å; L5-L37 HydrophobicContact CD2-CG 3.96Å; S33-L37 WeakPolarHBondContact O-CB 3.42Å; S33-L37 VanDerWaalsContact O-CG 3.31Å; S33-L37 WeakPolarHBondContact O-CG 3.47Å; S33-L37 PolarHBondContact O-N 3.2Å; S34-L37 PolarHBondContact O-N 2.98Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 3.28Å; L37-K40 WeakPolarHBondContact O-CB 2.76Å; L37-K40 PolarHBondContact O-N 3Å; L37-K41 WeakPolarHBondContact O-CG 3.44Å; L37-K41 PolarHBondContact O-N 3.17Å
38E95.3Very high96.3Very high60 Ų6063.6 Ų63.628%0.2833%0.326SS..Hα-helixtrans-69.8-39.7176.3-68.9175.2-147.700111.7S34 I35 K40 K41 G42 M43 R51S34-E38 VanDerWaalsContact O-CG 3.3Å; S34-E38 WeakPolarHBondContact O-CG 3.46Å; S34-E38 PolarHBondContact O-N 3.04Å; I35-E38 PolarHBondContact O-N 2.75Å; E38-K40 VanDerWaalsContact C-N 3.29Å; E38-K40 PolarHBondContact O-N 3.49Å; E38-K41 CarbonylContact O-C 3.57Å; E38-K41 WeakPolarHBondContact O-CA 3.5Å; E38-K41 PolarHBondContact O-N 3.29Å; E38-G42 PolarHBondContact O-N 3.48Å; E38-M43 HydrophobicContact CB-CB 4.34Å; E38-M43 HydrophobicContact CB-CE 3.37Å; E38-M43 HydrophobicContact CB-SD 4.44Å; E38-M43 HydrophobicContact CG-CE 4.2Å; E38-M43 VanDerWaalsContact O-CB 3.31Å; E38-M43 WeakPolarHBondContact O-CB 3.2Å; E38-M43 PolarHBondContact O-N 3.11Å; E38-M43 WeakPolarHBondContact OE2-CE 3.46Å; E38-R51 IonicContact OE1-CZ 3.36Å; E38-R51 IonicContact OE1-NH1 3.46Å; E38-R51 PolarHBondContact OE1-NH1 3Å; E38-R51 IonicContact OE1-NH2 2.84Å; E38-R51 PolarHBondContact OE1-NH2 3.31Å; E38-R51 IonicContact OE2-CZ 3.45Å; E38-R51 IonicContact OE2-NH1 3.21Å; E38-R51 PolarHBondContact OE2-NH1 2.9Å; E38-R51 IonicContact OE2-NH2 3.61Å
39I96.3Very high96.3Very high55 Ų5567.1 Ų67.128%0.28235%0.345SS..Hα-helixtrans-58.8-43.1169-59.1163.7000110.2M1 I35 K41 G42 M43 L48M1-I39 HydrophobicContact CE-CB 3.63Å; M1-I39 HydrophobicContact CE-CD1 4.25Å; M1-I39 HydrophobicContact CE-CG2 3.3Å; I35-I39 HydrophobicContact CG2-CD1 3.99Å; I35-I39 HydrophobicContact CG2-CG1 4.5Å; I35-I39 VanDerWaalsContact O-CG1 3.29Å; I35-I39 WeakPolarHBondContact O-CG1 3.38Å; I35-I39 PolarHBondContact O-N 3.27Å; I39-K41 PolarHBondContact O-N 3.08Å; I39-G42 PolarHBondContact O-N 3.42Å; I39-M43 HydrophobicContact CG1-SD 3.95Å; I39-L48 HydrophobicContact CD1-CD1 3.73Å; I39-L48 HydrophobicContact CD1-CD2 4.43Å; I39-L48 HydrophobicContact CG1-CD1 3.97Å
40K95.3Very high96.3Very high106 Ų10671.6 Ų71.646%0.46137%0.369SS..Hα-helixtrans-57.7-34175.1-162.6-179.1178.2178.40112.3M1 E2 L5 L36 L37 E38 G42M1-K40 HydrophobicContact CB-CB 4.33Å; M1-K40 HydrophobicContact CB-CG 4.24Å; M1-K40 HydrophobicContact CG-CB 3.79Å; M1-K40 HydrophobicContact CG-CG 4.2Å; E2-K40 IonicContact OE1-NZ 2.76Å; E2-K40 PolarHBondContact OE1-NZ 3.29Å; L5-K40 HydrophobicContact CD1-CD 4.36Å; L36-K40 PolarHBondContact O-N 3.08Å; L37-K40 WeakPolarHBondContact O-CB 2.76Å; L37-K40 PolarHBondContact O-N 3Å; E38-K40 VanDerWaalsContact C-N 3.29Å; E38-K40 PolarHBondContact O-N 3.49Å; K40-G42 VanDerWaalsContact C-N 3.29Å
41K95.8Very high96.2Very high178 Ų17869.7 Ų69.777%0.77436%0.358SS*.THydrogen-bonded Turntrans-83.20.9179.6-70.3172.2-177.6177.90113.8L37 E38 I39L37-K41 WeakPolarHBondContact O-CG 3.44Å; L37-K41 PolarHBondContact O-N 3.17Å; E38-K41 CarbonylContact O-C 3.57Å; E38-K41 WeakPolarHBondContact O-CA 3.5Å; E38-K41 PolarHBondContact O-N 3.29Å; I39-K41 PolarHBondContact O-N 3.08Å
42G96.3Very high96.1Very high63 Ų6372 Ų7265%0.64937%0.365SS*.THydrogen-bonded Turntrans95.426.417700000114.9E38 I39 K40 D44E38-G42 PolarHBondContact O-N 3.48Å; I39-G42 PolarHBondContact O-N 3.42Å; K40-G42 VanDerWaalsContact C-N 3.29Å; G42-D44 PolarHBondContact O-N 3.03Å
43M96.3Very high96.1Very high33 Ų3377 Ų7716%0.16339%0.392CS..  trans-49.7131167.3176.1-167.8-86.100110.6E38 I39 T47 L48 R51E38-M43 HydrophobicContact CB-CB 4.34Å; E38-M43 HydrophobicContact CB-CE 3.37Å; E38-M43 HydrophobicContact CB-SD 4.44Å; E38-M43 HydrophobicContact CG-CE 4.2Å; E38-M43 VanDerWaalsContact O-CB 3.31Å; E38-M43 WeakPolarHBondContact O-CB 3.2Å; E38-M43 PolarHBondContact O-N 3.11Å; E38-M43 WeakPolarHBondContact OE2-CE 3.46Å; I39-M43 HydrophobicContact CG1-SD 3.95Å; M43-T47 HydrophobicContact CE-CG2 4.06Å; M43-T47 HydrophobicContact CG-CG2 3.83Å; M43-T47 HydrophobicContact SD-CG2 4.41Å; M43-L48 HydrophobicContact CG-CB 4.32Å; M43-L48 VanDerWaalsContact SD-CA 3.56Å; M43-L48 HydrophobicContact SD-CB 3.7Å; M43-L48 HydrophobicContact SD-CD1 3.74Å; M43-L48 HydrophobicContact SD-CG 4.34Å; M43-R51 HydrophobicContact CE-CG 4.27Å
44D96.8Very high96.2Very high81 Ų8179.7 Ų79.743%0.43341%0.406SS..  trans-77.8167.8176.368.277.9000112.2G42 E46 T47 L48G42-D44 PolarHBondContact O-N 3.03Å; D44-E46 VanDerWaalsContact C-N 3.33Å; D44-E46 PolarHBondContact O-N 3.34Å; D44-E46 WeakPolarHBondContact OD1-CA 3.27Å; D44-E46 WeakPolarHBondContact OD1-CB 3.38Å; D44-E46 PolarHBondContact OD1-N 3.39Å; D44-T47 PolarHBondContact OD1-N 3.47Å; D44-T47 PolarHBondContact OD1-OG1 2.89Å; D44-T47 WeakPolarHBondContact OD2-CB 3.44Å; D44-T47 PolarHBondContact OD2-OG1 3.32Å; D44-L48 WeakPolarHBondContact O-CB 3.26Å; D44-L48 PolarHBondContact O-N 2.89Å
45K95Very high96.2Very high191 Ų19184.6 Ų84.683%0.8343%0.425SS*.Hα-helixtrans-65.5-32.9-176.3-64.2-178.5-179.1-179.40113.3L49K45-L49 WeakPolarHBondContact O-CB 3.36Å; K45-L49 PolarHBondContact O-N 2.86Å
46E97.1Very high96.2Very high140 Ų14091.4 Ų91.465%0.65446%0.455SS*.Hα-helixtrans-72.6-45.7-178.5-175.9-179.3170.300110.3D44 L48 L49 N50D44-E46 VanDerWaalsContact C-N 3.33Å; D44-E46 PolarHBondContact O-N 3.34Å; D44-E46 WeakPolarHBondContact OD1-CA 3.27Å; D44-E46 WeakPolarHBondContact OD1-CB 3.38Å; D44-E46 PolarHBondContact OD1-N 3.39Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 3.06Å; E46-L49 PolarHBondContact O-N 2.96Å; E46-N50 WeakPolarHBondContact O-CB 3.27Å; E46-N50 VanDerWaalsContact O-CG 3.27Å; E46-N50 PolarHBondContact O-N 3.43Å; E46-N50 PolarHBondContact O-ND2 3.06Å
47T96.5Very high96.2Very high56 Ų5691.9 Ų91.934%0.34446%0.458SS..Hα-helixtrans-59.7-43.2173.4-60.50000111.3M43 D44 N50 R51M43-T47 HydrophobicContact CE-CG2 4.06Å; M43-T47 HydrophobicContact CG-CG2 3.83Å; M43-T47 HydrophobicContact SD-CG2 4.41Å; D44-T47 PolarHBondContact OD1-N 3.47Å; D44-T47 PolarHBondContact OD1-OG1 2.89Å; D44-T47 WeakPolarHBondContact OD2-CB 3.44Å; D44-T47 PolarHBondContact OD2-OG1 3.32Å; T47-N50 PolarHBondContact O-N 3.39Å; T47-R51 VanDerWaalsContact O-CG 3.31Å; T47-R51 WeakPolarHBondContact O-CG 3.47Å; T47-R51 PolarHBondContact O-N 2.75Å
48L96.5Very high96.2Very high51 Ų5189.6 Ų89.627%0.26745%0.449SS..Hα-helixtrans-59.3-48.4175.1-179.963.6000111.6I35 I39 M43 D44 E46 N50 R51 F52I35-L48 HydrophobicContact CG2-CD1 3.89Å; I39-L48 HydrophobicContact CD1-CD1 3.73Å; I39-L48 HydrophobicContact CD1-CD2 4.43Å; I39-L48 HydrophobicContact CG1-CD1 3.97Å; M43-L48 HydrophobicContact CG-CB 4.32Å; M43-L48 VanDerWaalsContact SD-CA 3.56Å; M43-L48 HydrophobicContact SD-CB 3.7Å; M43-L48 HydrophobicContact SD-CD1 3.74Å; M43-L48 HydrophobicContact SD-CG 4.34Å; D44-L48 WeakPolarHBondContact O-CB 3.26Å; D44-L48 PolarHBondContact O-N 2.89Å; E46-L48 VanDerWaalsContact C-N 3.32Å; E46-L48 PolarHBondContact O-N 3.06Å; L48-N50 VanDerWaalsContact C-N 3.34Å; L48-N50 PolarHBondContact O-N 3.46Å; L48-R51 PolarHBondContact O-N 3.28Å; L48-F52 HydrophobicContact CD1-CD2 3.68Å; L48-F52 HydrophobicContact CD1-CE2 3.58Å; L48-F52 HydrophobicContact CG-CD2 4.14Å; L48-F52 HydrophobicContact CG-CE2 4.39Å; L48-F52 PolarHBondContact O-N 3.45Å
49L96.4Very high96.2Very high107 Ų10789.8 Ų89.856%0.5645%0.452SS*.Hα-helixtrans-61.9-42.7179-178.561.8000111.3K45 E46 R51 F52 N53K45-L49 WeakPolarHBondContact O-CB 3.36Å; K45-L49 PolarHBondContact O-N 2.86Å; E46-L49 PolarHBondContact O-N 2.96Å; L49-R51 VanDerWaalsContact C-N 3.32Å; L49-R51 PolarHBondContact O-N 3.04Å; L49-F52 PolarHBondContact O-N 3.44Å; L49-N53 WeakPolarHBondContact CD1-ND2 3.42Å; L49-N53 WeakPolarHBondContact CG-ND2 3.34Å; L49-N53 WeakPolarHBondContact O-CB 3.36Å; L49-N53 PolarHBondContact O-N 3.24Å; L49-N53 PolarHBondContact O-ND2 3.13Å
50N97Very high96.3Very high95 Ų9590.6 Ų90.651%0.50845%0.452SS..Hα-helixtrans-62.1-39.8176.5-72.2-25.7000111.7E46 T47 L48 N53 D54E46-N50 WeakPolarHBondContact O-CB 3.27Å; E46-N50 VanDerWaalsContact O-CG 3.27Å; E46-N50 PolarHBondContact O-N 3.43Å; E46-N50 PolarHBondContact O-ND2 3.06Å; T47-N50 PolarHBondContact O-N 3.39Å; L48-N50 VanDerWaalsContact C-N 3.34Å; L48-N50 PolarHBondContact O-N 3.46Å; N50-N53 PolarHBondContact O-N 2.85Å; N50-D54 PolarHBondContact O-N 2.82Å; N50-D54 VanDerWaalsContact O-N 3.1Å
51R94.8Very high96.4Very high63 Ų6385.7 Ų85.724%0.23843%0.431CS..Hα-helixtrans-66.1-40.9176-72.1-72.1-77.1-85.1-4.4112.8S34 E38 M43 T47 L48 L49 N53 D54 V57S34-R51 PolarHBondContact OG-NH2 3.25Å; E38-R51 IonicContact OE1-CZ 3.36Å; E38-R51 IonicContact OE1-NH1 3.46Å; E38-R51 PolarHBondContact OE1-NH1 3Å; E38-R51 IonicContact OE1-NH2 2.84Å; E38-R51 PolarHBondContact OE1-NH2 3.31Å; E38-R51 IonicContact OE2-CZ 3.45Å; E38-R51 IonicContact OE2-NH1 3.21Å; E38-R51 PolarHBondContact OE2-NH1 2.9Å; E38-R51 IonicContact OE2-NH2 3.61Å; M43-R51 HydrophobicContact CE-CG 4.27Å; T47-R51 VanDerWaalsContact O-CG 3.31Å; T47-R51 WeakPolarHBondContact O-CG 3.47Å; T47-R51 PolarHBondContact O-N 2.75Å; L48-R51 PolarHBondContact O-N 3.28Å; L49-R51 VanDerWaalsContact C-N 3.32Å; L49-R51 PolarHBondContact O-N 3.04Å; R51-N53 VanDerWaalsContact C-N 3.26Å; R51-N53 PolarHBondContact O-N 3.32Å; R51-D54 PolarHBondContact O-N 2.99Å; R51-V57 HydrophobicContact CB-CG1 4.46Å; R51-V57 WeakPolarHBondContact O-CB 3.32Å; R51-V57 WeakPolarHBondContact O-CG1 3.26Å
52F95.2Very high96.4Very high81 Ų8180 Ų8036%0.35541%0.411SS..Hα-helixtrans-73.9-15.4175.8-89.1-82.6000113.9I35 L48 L49 S58 A61I35-F52 HydrophobicContact CD1-CE2 4.39Å; I35-F52 HydrophobicContact CD1-CZ 4.32Å; I35-F52 HydrophobicContact CG2-CE2 3.8Å; I35-F52 HydrophobicContact CG2-CZ 4.37Å; L48-F52 HydrophobicContact CD1-CD2 3.68Å; L48-F52 HydrophobicContact CD1-CE2 3.58Å; L48-F52 HydrophobicContact CG-CD2 4.14Å; L48-F52 HydrophobicContact CG-CE2 4.39Å; L48-F52 PolarHBondContact O-N 3.45Å; L49-F52 PolarHBondContact O-N 3.44Å; F52-S58 WeakPolarHBondContact O-CB 3.32Å; F52-S58 PolarHBondContact O-OG 3.44Å; F52-A61 HydrophobicContact CE1-CB 4.46Å
53N97Very high96.4Very high117 Ų11778.1 Ų78.163%0.62639%0.387SS*.Hα-helixtrans-91.1-11.7171.3-78-60000113.5L49 N50 R51 Q55L49-N53 WeakPolarHBondContact CD1-ND2 3.42Å; L49-N53 WeakPolarHBondContact CG-ND2 3.34Å; L49-N53 WeakPolarHBondContact O-CB 3.36Å; L49-N53 PolarHBondContact O-N 3.24Å; L49-N53 PolarHBondContact O-ND2 3.13Å; N50-N53 PolarHBondContact O-N 2.85Å; R51-N53 VanDerWaalsContact C-N 3.26Å; R51-N53 PolarHBondContact O-N 3.32Å; N53-Q55 PolarHBondContact O-N 3.1Å
54D97.7Very high96.5Very high68 Ų6876.5 Ų76.536%0.36438%0.379SS..SBendtrans-69.4122.4166.7178.4-88.7000109.5N50 R51 F56 V57 S58N50-D54 PolarHBondContact O-N 2.82Å; N50-D54 VanDerWaalsContact O-N 3.1Å; R51-D54 PolarHBondContact O-N 2.99Å; D54-F56 VanDerWaalsContact C-N 3.28Å; D54-F56 PolarHBondContact O-N 3.29Å; D54-F56 WeakPolarHBondContact OD1-CB 3.46Å; D54-F56 PolarHBondContact OD1-N 3.3Å; D54-V57 HydrophobicContact CB-CB 4.1Å; D54-V57 HydrophobicContact CB-CG2 4.14Å; D54-V57 PolarHBondContact O-N 2.89Å; D54-V57 WeakPolarHBondContact OD1-CG2 3.42Å; D54-V57 PolarHBondContact OD1-N 3.21Å; D54-S58 WeakPolarHBondContact O-CB 3.39Å; D54-S58 PolarHBondContact O-N 3.45Å
55Q96.2Very high96.5Very high139 Ų13974.8 Ų74.865%0.6537%0.369SS*.Hα-helixtrans-61.3-37.3-172.1-173.317614.700112.3N53 N59N53-Q55 PolarHBondContact O-N 3.1Å; Q55-N59 WeakPolarHBondContact O-CB 3.49Å; Q55-N59 PolarHBondContact O-N 3.48Å; Q55-N59 VanDerWaalsContact O-N 3.07Å; Q55-N59 PolarHBondContact O-ND2 2.86Å; Q55-N59 VanDerWaalsContact O-ND2 3.11Å
56F95.5Very high96.6Very high143 Ų14367.1 Ų67.163%0.62734%0.335SS*.Hα-helixtrans-71.9-50.3-179.4-66.6-73.7000110.8D54 S58 N59 Y60D54-F56 VanDerWaalsContact C-N 3.28Å; D54-F56 PolarHBondContact O-N 3.29Å; D54-F56 WeakPolarHBondContact OD1-CB 3.46Å; D54-F56 PolarHBondContact OD1-N 3.3Å; F56-S58 PolarHBondContact O-N 3.5Å; F56-N59 PolarHBondContact O-N 3Å; F56-Y60 WeakPolarHBondContact O-CB 3.46Å; F56-Y60 WeakPolarHBondContact O-CD1 3.25Å; F56-Y60 PolarHBondContact O-N 2.7Å
57V96.4Very high96.6Very high23 Ų2361 Ų6114%0.13931%0.306CS..Hα-helixtrans-59.9-46.7179.9175.10000110.9T31 I35 R51 D54 Y60 A61T31-V57 HydrophobicContact CG2-CG1 4.24Å; I35-V57 HydrophobicContact CD1-CG1 3.55Å; I35-V57 HydrophobicContact CG1-CG1 4.1Å; R51-V57 HydrophobicContact CB-CG1 4.46Å; R51-V57 WeakPolarHBondContact O-CB 3.32Å; R51-V57 WeakPolarHBondContact O-CG1 3.26Å; D54-V57 HydrophobicContact CB-CB 4.1Å; D54-V57 HydrophobicContact CB-CG2 4.14Å; D54-V57 PolarHBondContact O-N 2.89Å; D54-V57 WeakPolarHBondContact OD1-CG2 3.42Å; D54-V57 PolarHBondContact OD1-N 3.21Å; V57-Y60 PolarHBondContact O-N 2.97Å; V57-A61 PolarHBondContact O-N 2.94Å
58S96.2Very high96.7Very high32 Ų3258.3 Ų58.322%0.22429%0.29CS..Hα-helixtrans-62.8-48.8179.5-162.70000111.7F52 D54 F56 Y60 A61 V62F52-S58 WeakPolarHBondContact O-CB 3.32Å; F52-S58 PolarHBondContact O-OG 3.44Å; D54-S58 WeakPolarHBondContact O-CB 3.39Å; D54-S58 PolarHBondContact O-N 3.45Å; F56-S58 PolarHBondContact O-N 3.5Å; S58-Y60 VanDerWaalsContact C-N 3.33Å; S58-Y60 PolarHBondContact O-N 2.97Å; S58-A61 PolarHBondContact O-N 2.86Å; S58-V62 WeakPolarHBondContact O-CG2 3.36Å; S58-V62 PolarHBondContact O-N 3.39Å
59N97Very high96.8Very high63 Ų6356.2 Ų56.234%0.33728%0.279SS..Hα-helixtrans-62.4-39.9178.8-75.1-20.6000112.2Q55 F56 A61 V62 V63 M101Q55-N59 WeakPolarHBondContact O-CB 3.49Å; Q55-N59 PolarHBondContact O-N 3.48Å; Q55-N59 VanDerWaalsContact O-N 3.07Å; Q55-N59 PolarHBondContact O-ND2 2.86Å; Q55-N59 VanDerWaalsContact O-ND2 3.11Å; F56-N59 PolarHBondContact O-N 3Å; N59-A61 VanDerWaalsContact C-N 3.34Å; N59-A61 PolarHBondContact O-N 3.45Å; N59-V62 PolarHBondContact O-N 2.87Å; N59-V63 WeakPolarHBondContact O-CG2 3.48Å; N59-V63 PolarHBondContact O-N 2.69Å; N59-M101 HydrophobicContact CB-CE 4.23Å
60Y97.3Very high96.8Very high72 Ų7251.1 Ų51.128%0.28225%0.253SS..Hα-helixtrans-67.9-36.5179.9-81.936.9000111.4E27 F28 T31 F56 V57 S58 V63 S64E27-Y60 HydrophobicContact CB-CE2 4.17Å; F28-Y60 AromaticContact CD1-CD1 3.95Å; F28-Y60 HydrophobicContact CD1-CD1 3.95Å; F28-Y60 AromaticContact CD1-CD2 3.58Å; F28-Y60 HydrophobicContact CD1-CD2 3.58Å; F28-Y60 HydrophobicContact CD1-CE1 4.29Å; F28-Y60 AromaticContact CD1-CE2 3.94Å; F28-Y60 HydrophobicContact CD1-CE2 3.94Å; F28-Y60 AromaticContact CD1-CG 3.57Å; F28-Y60 HydrophobicContact CD1-CG 3.57Å; F28-Y60 AromaticContact CE1-CD1 3.87Å; F28-Y60 HydrophobicContact CE1-CD1 3.87Å; F28-Y60 HydrophobicContact CE1-CD2 4.03Å; F28-Y60 AromaticContact CE1-CE1 3.82Å; F28-Y60 HydrophobicContact CE1-CE1 3.82Å; F28-Y60 AromaticContact CE1-CE2 3.98Å; F28-Y60 HydrophobicContact CE1-CE2 3.98Å; F28-Y60 AromaticContact CE1-CG 3.97Å; F28-Y60 HydrophobicContact CE1-CG 3.97Å; F28-Y60 AromaticContact CE1-CZ 3.88Å; T31-Y60 HydrophobicContact CG2-CD2 4.49Å; F56-Y60 WeakPolarHBondContact O-CB 3.46Å; F56-Y60 WeakPolarHBondContact O-CD1 3.25Å; F56-Y60 PolarHBondContact O-N 2.7Å; V57-Y60 PolarHBondContact O-N 2.97Å; S58-Y60 VanDerWaalsContact C-N 3.33Å; S58-Y60 PolarHBondContact O-N 2.97Å; Y60-V63 PolarHBondContact O-N 2.8Å; Y60-S64 PolarHBondContact O-N 2.91Å; Y60-S64 PolarHBondContact O-OG 3.01Å
61A96.6Very high96.8Very high4 Ų446.6 Ų46.63%0.03323%0.228CC..Hα-helixtrans-63.8-42.9170.900000111.7F32 I35 F52 V57 S58 N59 S64 M65F32-A61 HydrophobicContact CD2-CB 3.88Å; I35-A61 HydrophobicContact CD1-CB 4.43Å; F52-A61 HydrophobicContact CE1-CB 4.46Å; V57-A61 PolarHBondContact O-N 2.94Å; S58-A61 PolarHBondContact O-N 2.86Å; N59-A61 VanDerWaalsContact C-N 3.34Å; N59-A61 PolarHBondContact O-N 3.45Å; A61-S64 WeakPolarHBondContact O-CB 3.49Å; A61-S64 PolarHBondContact O-N 3.27Å; A61-M65 WeakPolarHBondContact O-CG 3.31Å; A61-M65 PolarHBondContact O-N 3.02Å
62V96.9Very high97Very high58 Ų5846 Ų4635%0.35223%0.226SC..Hα-helixtrans-63.3-43.7176.2173.40000111.5S58 N59 S64 M65 R66 M101S58-V62 WeakPolarHBondContact O-CG2 3.36Å; S58-V62 PolarHBondContact O-N 3.39Å; N59-V62 PolarHBondContact O-N 2.87Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.12Å; V62-M65 PolarHBondContact O-N 3.32Å; V62-M65 VanDerWaalsContact O-N 3.16Å; V62-R66 PolarHBondContact O-N 3.03Å; V62-M101 HydrophobicContact CB-CE 4.08Å; V62-M101 HydrophobicContact CB-SD 4.42Å; V62-M101 HydrophobicContact CG1-CE 3.78Å; V62-M101 HydrophobicContact CG1-SD 3.76Å
63V96.9Very high97.1Very high23 Ų2342.1 Ų42.114%0.13921%0.21CC..Hα-helixtrans-60.8-42175.6175.70000110.7F28 N59 Y60 M65 R66 L67 M101F28-V63 HydrophobicContact CB-CG1 4.36Å; F28-V63 HydrophobicContact CD1-CB 4.14Å; F28-V63 HydrophobicContact CD1-CG1 4.09Å; F28-V63 HydrophobicContact CD2-CB 4.23Å; F28-V63 HydrophobicContact CD2-CG1 3.33Å; F28-V63 HydrophobicContact CE1-CB 4.41Å; F28-V63 HydrophobicContact CE1-CG1 4.23Å; F28-V63 HydrophobicContact CE1-CG2 4.49Å; F28-V63 HydrophobicContact CE2-CG1 3.52Å; F28-V63 HydrophobicContact CG-CB 4.07Å; F28-V63 HydrophobicContact CG-CG1 3.67Å; F28-V63 HydrophobicContact CZ-CG1 3.98Å; N59-V63 WeakPolarHBondContact O-CG2 3.48Å; N59-V63 PolarHBondContact O-N 2.69Å; Y60-V63 PolarHBondContact O-N 2.8Å; V63-M65 VanDerWaalsContact C-N 3.3Å; V63-M65 PolarHBondContact O-N 2.94Å; V63-R66 PolarHBondContact O-N 3.31Å; V63-L67 HydrophobicContact CG1-CD1 3.9Å; V63-L67 HydrophobicContact CG1-CG 4.27Å; V63-L67 VanDerWaalsContact O-CG 3.31Å; V63-L67 WeakPolarHBondContact O-CG 3.25Å; V63-L67 PolarHBondContact O-N 3.26Å; V63-M101 HydrophobicContact CG2-CE 4.26Å; V63-M101 HydrophobicContact CG2-CG 3.89Å; V63-M101 HydrophobicContact CG2-SD 3.52Å; V63-M101 VanDerWaalsContact CG2-SD 3.52Å
64S96.9Very high97.1Very high0 Ų039.3 Ų39.30%019%0.19CC..Hα-helixtrans-56.9-44.5174.6-56.30000111.9F28 F29 Y60 A61 V62 L67 I68F28-S64 PolarHBondContact O-OG 3.16Å; F29-S64 PolarHBondContact N-OG 3.25Å; Y60-S64 PolarHBondContact O-N 2.91Å; Y60-S64 PolarHBondContact O-OG 3.01Å; A61-S64 WeakPolarHBondContact O-CB 3.49Å; A61-S64 PolarHBondContact O-N 3.27Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 3.12Å; S64-L67 PolarHBondContact O-N 2.92Å; S64-I68 VanDerWaalsContact O-CG1 3.27Å; S64-I68 WeakPolarHBondContact O-CG1 3.39Å; S64-I68 PolarHBondContact O-N 3.01Å
65M97.4Very high97Very high45 Ų4540.6 Ų40.622%0.22219%0.193CC..Hα-helixtrans-64-42.5176.6-66.6-60.7177.200112.1F32 A61 V62 V63 L67 I68 T69 L113 L117F32-M65 HydrophobicContact CD1-CE 4.35Å; F32-M65 HydrophobicContact CD2-CE 4.39Å; F32-M65 HydrophobicContact CE1-CE 3.53Å; F32-M65 HydrophobicContact CE2-CE 3.6Å; F32-M65 HydrophobicContact CZ-CE 3.11Å; A61-M65 WeakPolarHBondContact O-CG 3.31Å; A61-M65 PolarHBondContact O-N 3.02Å; V62-M65 PolarHBondContact O-N 3.32Å; V62-M65 VanDerWaalsContact O-N 3.16Å; V63-M65 VanDerWaalsContact C-N 3.3Å; V63-M65 PolarHBondContact O-N 2.94Å; M65-L67 VanDerWaalsContact C-N 3.32Å; M65-L67 PolarHBondContact O-N 3.36Å; M65-I68 WeakPolarHBondContact O-CB 3.34Å; M65-I68 PolarHBondContact O-N 3.26Å; M65-I68 HydrophobicContact SD-CD1 4.2Å; M65-T69 PolarHBondContact O-N 2.99Å; M65-T69 PolarHBondContact O-OG1 3.4Å; M65-L113 HydrophobicContact CB-CD1 4.26Å; M65-L113 HydrophobicContact SD-CD1 4.06Å; M65-L117 HydrophobicContact SD-CD1 4.07Å; M65-L117 HydrophobicContact SD-CD2 4.49Å
66R97.6Very high97.1Very high29 Ų2936.3 Ų36.311%0.10917%0.174CC..Hα-helixtrans-60.7-40.3175.7-72.1-178.5177.3-79.9-3.1112.4V62 V63 T69 F70 V98 P100 R103V62-R66 PolarHBondContact O-N 3.03Å; V63-R66 PolarHBondContact O-N 3.31Å; R66-T69 WeakPolarHBondContact O-CB 3.18Å; R66-T69 PolarHBondContact O-N 3.49Å; R66-F70 WeakPolarHBondContact O-CB 3.35Å; R66-F70 PolarHBondContact O-N 3.38Å; R66-V98 WeakPolarHBondContact CD-O 3.44Å; R66-V98 WeakPolarHBondContact CG-O 3.29Å; R66-V98 PolarHBondContact NH1-O 3.32Å; R66-P100 VanDerWaalsContact CZ-O 3.3Å; R66-P100 PolarHBondContact NH1-O 2.97Å; R66-P100 VanDerWaalsContact NH1-O 3.16Å; R66-R103 PolarHBondContact NH2-O 3.37Å
67L97.1Very high97.1Very high11 Ų1132.4 Ų32.46%0.05816%0.158CC..Hα-helixtrans-68.5-36.3176.5-67.8168.8000112.3M15 I25 F28 F29 V63 S64 M65 G71M15-L67 HydrophobicContact SD-CB 4.12Å; M15-L67 HydrophobicContact SD-CD2 4.29Å; I25-L67 HydrophobicContact CD1-CD1 3.43Å; I25-L67 VanDerWaalsContact CD1-CD1 3.43Å; I25-L67 HydrophobicContact CD1-CD2 3.92Å; I25-L67 HydrophobicContact CD1-CG 4.33Å; I25-L67 HydrophobicContact CG2-CD1 4.32Å; F28-L67 HydrophobicContact CD2-CD1 4.01Å; F29-L67 HydrophobicContact CE2-CB 4.02Å; F29-L67 HydrophobicContact CE2-CD1 3.9Å; F29-L67 HydrophobicContact CZ-CB 4.08Å; V63-L67 HydrophobicContact CG1-CD1 3.9Å; V63-L67 HydrophobicContact CG1-CG 4.27Å; V63-L67 VanDerWaalsContact O-CG 3.31Å; V63-L67 WeakPolarHBondContact O-CG 3.25Å; V63-L67 PolarHBondContact O-N 3.26Å; S64-L67 PolarHBondContact O-N 2.92Å; M65-L67 VanDerWaalsContact C-N 3.32Å; M65-L67 PolarHBondContact O-N 3.36Å; L67-G71 PolarHBondContact O-N 3.42Å
68I98Very high97.1Very high0 Ų039.6 Ų39.60%019%0.187CC..Hα-helixtrans-62.4-47.1171.8-70.6166.3000110.4W11 F29 S64 M65 G71 Y72 L113 A116 L117W11-I68 HydrophobicContact CB-CG1 3.69Å; W11-I68 HydrophobicContact CD2-CG2 4.28Å; W11-I68 HydrophobicContact CG-CB 4.32Å; W11-I68 HydrophobicContact CG-CG1 3.86Å; W11-I68 HydrophobicContact CG-CG2 3.99Å; F29-I68 HydrophobicContact CE1-CD1 4.1Å; F29-I68 HydrophobicContact CE1-CG1 3.81Å; F29-I68 HydrophobicContact CZ-CG1 4.06Å; S64-I68 VanDerWaalsContact O-CG1 3.27Å; S64-I68 WeakPolarHBondContact O-CG1 3.39Å; S64-I68 PolarHBondContact O-N 3.01Å; M65-I68 WeakPolarHBondContact O-CB 3.34Å; M65-I68 PolarHBondContact O-N 3.26Å; M65-I68 HydrophobicContact SD-CD1 4.2Å; I68-G71 PolarHBondContact O-N 2.95Å; I68-Y72 PolarHBondContact O-N 2.88Å; I68-L113 HydrophobicContact CG2-CD1 4.17Å; I68-A116 HydrophobicContact CG2-CB 3.49Å; I68-A116 VanDerWaalsContact CG2-CB 3.49Å; I68-L117 HydrophobicContact CD1-CD2 4.26Å; I68-L117 HydrophobicContact CG2-CD2 4.16Å
69T98.2Very high97Very high7 Ų742.9 Ų42.94%0.04320%0.202CC..Hα-helixtrans-57.3-52176-52.80000111M65 R66 G71 Y72 M73 V98 S109 A112 L113M65-T69 PolarHBondContact O-N 2.99Å; M65-T69 PolarHBondContact O-OG1 3.4Å; R66-T69 WeakPolarHBondContact O-CB 3.18Å; R66-T69 PolarHBondContact O-N 3.49Å; T69-G71 VanDerWaalsContact C-N 3.33Å; T69-G71 PolarHBondContact O-N 3.38Å; T69-Y72 PolarHBondContact O-N 3.44Å; T69-M73 HydrophobicContact CG2-SD 4.32Å; T69-M73 WeakPolarHBondContact O-CG 3.3Å; T69-M73 PolarHBondContact O-N 3.03Å; T69-V98 HydrophobicContact CG2-CG1 3.67Å; T69-S109 WeakPolarHBondContact CG2-O 3.47Å; T69-A112 HydrophobicContact CG2-CB 3.7Å; T69-L113 HydrophobicContact CG2-CB 4.45Å; T69-L113 WeakPolarHBondContact OG1-CB 3.4Å
70F97Very high97Very high0 Ų040.1 Ų40.10%019%0.187CC..Hα-helixtrans-53.9-49.5175.1161.9-113.8000111.7M15 F18 Y20 R66 Y72 M73 R74 C94 V98 Q99M15-F70 HydrophobicContact CE-CD1 4.01Å; M15-F70 HydrophobicContact CE-CE1 4.3Å; M15-F70 HydrophobicContact SD-CD1 3.82Å; M15-F70 HydrophobicContact SD-CE1 4.08Å; F18-F70 HydrophobicContact CD2-CE1 4.4Å; Y20-F70 HydrophobicContact CD2-CE1 4Å; Y20-F70 HydrophobicContact CD2-CZ 4.43Å; Y20-F70 AromaticContact CE2-CE1 3.52Å; Y20-F70 HydrophobicContact CE2-CE1 3.52Å; Y20-F70 AromaticContact CE2-CZ 3.52Å; Y20-F70 HydrophobicContact CE2-CZ 3.52Å; Y20-F70 AromaticContact CZ-CE1 3.8Å; Y20-F70 AromaticContact CZ-CZ 3.65Å; Y20-F70 WeakPolarHBondContact OH-CZ 3.39Å; R66-F70 WeakPolarHBondContact O-CB 3.35Å; R66-F70 PolarHBondContact O-N 3.38Å; F70-Y72 VanDerWaalsContact C-N 3.29Å; F70-Y72 PolarHBondContact O-N 3.39Å; F70-M73 PolarHBondContact O-N 3.19Å; F70-R74 HydrophobicContact CD2-CG 3.67Å; F70-R74 HydrophobicContact CE1-CG 4.46Å; F70-R74 HydrophobicContact CE2-CG 3.27Å; F70-R74 HydrophobicContact CG-CG 4.48Å; F70-R74 HydrophobicContact CZ-CG 3.72Å; F70-R74 WeakPolarHBondContact O-CB 3.15Å; F70-R74 WeakPolarHBondContact O-CG 3.31Å; F70-R74 PolarHBondContact O-N 3.46Å; F70-C94 HydrophobicContact CD2-CB 3.53Å; F70-C94 HydrophobicContact CE2-CB 4.06Å; F70-V98 HydrophobicContact CB-CG1 4.31Å; F70-Q99 HydrophobicContact CB-CG 4.02Å; F70-Q99 HydrophobicContact CD2-CG 4.23Å; F70-Q99 HydrophobicContact CG-CG 4.02Å
71G97.2Very high96.8Very high0 Ų042.2 Ų42.20%020%0.199CC..Hα-helixtrans-59.9-40.3-178.800000112.8M15 L67 I68 T69 K75M15-G71 VanDerWaalsContact CE-CA 3.4Å; L67-G71 PolarHBondContact O-N 3.42Å; I68-G71 PolarHBondContact O-N 2.95Å; T69-G71 VanDerWaalsContact C-N 3.33Å; T69-G71 PolarHBondContact O-N 3.38Å; G71-K75 PolarHBondContact O-N 3.24Å
72Y98.1Very high96.7Very high50 Ų5045.8 Ų45.820%0.19624%0.237CC..Hα-helixtrans-67.9-44.2176.9-171.4-90.5000112.2W11 I68 T69 F70 R74 K75 N76 F80 A112 S115 A116W11-Y72 AromaticContact CH2-CD2 3.76Å; W11-Y72 HydrophobicContact CH2-CD2 3.76Å; W11-Y72 HydrophobicContact CH2-CG 4.27Å; W11-Y72 AromaticContact CZ2-CD2 3.7Å; W11-Y72 HydrophobicContact CZ2-CD2 3.7Å; W11-Y72 HydrophobicContact CZ2-CG 4.42Å; I68-Y72 PolarHBondContact O-N 2.88Å; T69-Y72 PolarHBondContact O-N 3.44Å; F70-Y72 VanDerWaalsContact C-N 3.29Å; F70-Y72 PolarHBondContact O-N 3.39Å; Y72-R74 VanDerWaalsContact C-N 3.33Å; Y72-R74 PolarHBondContact O-N 3.26Å; Y72-K75 PolarHBondContact O-N 2.99Å; Y72-N76 PolarHBondContact O-N 2.95Å; Y72-N76 VanDerWaalsContact O-N 3.12Å; Y72-N76 PolarHBondContact O-ND2 3.29Å; Y72-F80 AromaticContact CD1-CE2 3.79Å; Y72-F80 HydrophobicContact CD1-CE2 3.79Å; Y72-F80 AromaticContact CD1-CZ 3.78Å; Y72-F80 HydrophobicContact CD1-CZ 3.78Å; Y72-F80 AromaticContact CE1-CE2 3.85Å; Y72-F80 HydrophobicContact CE1-CE2 3.85Å; Y72-F80 AromaticContact CE1-CZ 3.74Å; Y72-F80 HydrophobicContact CE1-CZ 3.74Å; Y72-A112 HydrophobicContact CD1-CB 4.13Å; Y72-S115 WeakPolarHBondContact OH-CB 3.35Å; Y72-A116 VanDerWaalsContact CD2-CA 3.46Å; Y72-A116 HydrophobicContact CD2-CB 3.66Å; Y72-A116 HydrophobicContact CG-CB 3.75Å
73M97.7Very high96.5Very high0 Ų048.8 Ų48.80%025%0.245CC..Hα-helixtrans-61.2-43.1177-67.3-174.673.500111.4T69 F70 K75 N76 E77 F80 I84 V90 Y93 V98 V108 A112T69-M73 HydrophobicContact CG2-SD 4.32Å; T69-M73 WeakPolarHBondContact O-CG 3.3Å; T69-M73 PolarHBondContact O-N 3.03Å; F70-M73 PolarHBondContact O-N 3.19Å; M73-K75 PolarHBondContact O-N 2.83Å; M73-N76 CarbonylContact O-C 3.6Å; M73-N76 VanDerWaalsContact O-C 3.3Å; M73-N76 PolarHBondContact O-N 3.4Å; M73-E77 WeakPolarHBondContact O-CA 3Å; M73-E77 PolarHBondContact O-N 3.12Å; M73-F80 HydrophobicContact CB-CD2 4.13Å; M73-F80 HydrophobicContact CB-CE2 4.31Å; M73-F80 HydrophobicContact CE-CB 4.08Å; M73-F80 HydrophobicContact CE-CD1 3.93Å; M73-F80 HydrophobicContact CE-CG 3.93Å; M73-F80 HydrophobicContact CG-CD1 4.42Å; M73-F80 HydrophobicContact CG-CD2 4.08Å; M73-F80 HydrophobicContact CG-CE1 4.33Å; M73-F80 HydrophobicContact CG-CE2 4Å; M73-F80 HydrophobicContact CG-CG 4.29Å; M73-F80 HydrophobicContact CG-CZ 4.12Å; M73-I84 HydrophobicContact CE-CD1 4.47Å; M73-V90 HydrophobicContact CB-CG1 3.93Å; M73-V90 HydrophobicContact CE-CG1 4.35Å; M73-Y93 HydrophobicContact CE-CD1 3.74Å; M73-Y93 HydrophobicContact CE-CE1 3.61Å; M73-Y93 HydrophobicContact SD-CE1 4.17Å; M73-V98 HydrophobicContact SD-CG2 3.92Å; M73-V108 HydrophobicContact CE-CG1 3.74Å; M73-A112 HydrophobicContact CG-CB 3.46Å; M73-A112 VanDerWaalsContact CG-CB 3.46Å; M73-A112 HydrophobicContact SD-CB 4Å
74R96.4Very high96.3Very high58 Ų5848.5 Ų48.522%0.21924%0.243CC..Hα-helixtrans-65.7-33176.3-72.5-70.4-70.4-175.1-22.6114.2F18 F70 Y72 N76 E77 E91F18-R74 HydrophobicContact CD2-CB 4.42Å; F18-R74 HydrophobicContact CE1-CB 4.45Å; F18-R74 HydrophobicContact CE2-CB 3.6Å; F18-R74 HydrophobicContact CE2-CG 4.45Å; F18-R74 HydrophobicContact CZ-CB 3.6Å; F70-R74 HydrophobicContact CD2-CG 3.67Å; F70-R74 HydrophobicContact CE1-CG 4.46Å; F70-R74 HydrophobicContact CE2-CG 3.27Å; F70-R74 HydrophobicContact CG-CG 4.48Å; F70-R74 HydrophobicContact CZ-CG 3.72Å; F70-R74 WeakPolarHBondContact O-CB 3.15Å; F70-R74 WeakPolarHBondContact O-CG 3.31Å; F70-R74 PolarHBondContact O-N 3.46Å; Y72-R74 VanDerWaalsContact C-N 3.33Å; Y72-R74 PolarHBondContact O-N 3.26Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-E77 WeakPolarHBondContact CD-OE1 3.43Å; R74-E77 IonicContact CZ-OE1 3.97Å; R74-E77 IonicContact NE-OE1 2.74Å; R74-E77 IonicContact NH1-OE1 3Å; R74-E77 PolarHBondContact NH1-OE1 3.03Å; R74-E77 WeakPolarHBondContact O-CG 3.31Å; R74-E91 IonicContact CZ-OE1 3.06Å; R74-E91 IonicContact CZ-OE2 2.77Å; R74-E91 IonicContact NH1-OE1 2.9Å; R74-E91 IonicContact NH1-OE2 2.75Å; R74-E91 PolarHBondContact NH1-OE2 3.45Å; R74-E91 IonicContact NH2-OE1 3.52Å; R74-E91 PolarHBondContact NH2-OE1 2.93Å; R74-E91 IonicContact NH2-OE2 3.39Å; R74-E91 PolarHBondContact NH2-OE2 3.04Å
75K97Very high96Very high96 Ų9655.6 Ų55.642%0.41728%0.276SS..Hα-helixtrans-74.9-22.1174.9-77.8-164.7161.6167.20112.7W11 T14 E17 F18 G71 Y72 M73W11-K75 HydrophobicContact CH2-CD 4.35Å; W11-K75 HydrophobicContact CZ3-CD 4.09Å; T14-K75 HydrophobicContact CG2-CD 3.91Å; T14-K75 HydrophobicContact CG2-CG 4.38Å; T14-K75 VanDerWaalsContact CG2-NZ 3.28Å; T14-K75 PolarHBondContact OG1-NZ 3.35Å; E17-K75 IonicContact OE2-NZ 2.96Å; E17-K75 PolarHBondContact OE2-NZ 3.24Å; F18-K75 HydrophobicContact CE2-CG 4.31Å; F18-K75 HydrophobicContact CZ-CG 3.66Å; G71-K75 PolarHBondContact O-N 3.24Å; Y72-K75 PolarHBondContact O-N 2.99Å; M73-K75 PolarHBondContact O-N 2.83Å
76N97.1Very high95.6Very high48 Ų4860.7 Ų60.726%0.25730%0.304SS..THydrogen-bonded Turntrans-127.838.4-173.1-53.3-78.7000111.8Y72 M73 R74 K78 D79 F80Y72-N76 PolarHBondContact O-N 2.95Å; Y72-N76 VanDerWaalsContact O-N 3.12Å; Y72-N76 PolarHBondContact O-ND2 3.29Å; M73-N76 CarbonylContact O-C 3.6Å; M73-N76 VanDerWaalsContact O-C 3.3Å; M73-N76 PolarHBondContact O-N 3.4Å; R74-N76 VanDerWaalsContact C-N 3.31Å; N76-K78 PolarHBondContact O-N 2.84Å; N76-K78 VanDerWaalsContact O-N 3.09Å; N76-D79 HydrophobicContact CB-CB 4.4Å; N76-D79 WeakPolarHBondContact O-CB 3.18Å; N76-D79 PolarHBondContact O-N 2.92Å; N76-F80 HydrophobicContact CB-CD2 4.38Å; N76-F80 HydrophobicContact CB-CE2 4.05Å; N76-F80 VanDerWaalsContact O-CD2 3.29Å; N76-F80 WeakPolarHBondContact O-CD2 3.39Å
77E96.5Very high95Very high61 Ų6163 Ų6329%0.28534%0.337SS..Hα-helixtrans-51.4-42.4-169.8-65.6-168.9147.600113.4M73 R74 D79 F80 E81 V90M73-E77 WeakPolarHBondContact O-CA 3Å; M73-E77 PolarHBondContact O-N 3.12Å; R74-E77 WeakPolarHBondContact CD-OE1 3.43Å; R74-E77 IonicContact CZ-OE1 3.97Å; R74-E77 IonicContact NE-OE1 2.74Å; R74-E77 IonicContact NH1-OE1 3Å; R74-E77 PolarHBondContact NH1-OE1 3.03Å; R74-E77 WeakPolarHBondContact O-CG 3.31Å; E77-D79 PolarHBondContact O-N 3.37Å; E77-D79 VanDerWaalsContact O-N 3.15Å; E77-F80 CarbonylContact O-C 3.55Å; E77-F80 WeakPolarHBondContact O-CA 3.45Å; E77-F80 PolarHBondContact O-N 3.25Å; E77-E81 WeakPolarHBondContact O-CG 3.37Å; E77-E81 PolarHBondContact O-N 2.97Å; E77-V90 HydrophobicContact CB-CB 4.21Å; E77-V90 HydrophobicContact CB-CG1 4.49Å; E77-V90 HydrophobicContact CB-CG2 3.91Å; E77-V90 HydrophobicContact CG-CB 3.99Å; E77-V90 HydrophobicContact CG-CG1 4.06Å; E77-V90 HydrophobicContact CG-CG2 4.25Å
78K95.9Very high94.9Very high175 Ų17565.1 Ų65.176%0.76135%0.348SS*.Hα-helixtrans-56.6-31.2178.9-65.2-176.6179.41790113.8N76 F80N76-K78 PolarHBondContact O-N 2.84Å; N76-K78 VanDerWaalsContact O-N 3.09Å; K78-F80 VanDerWaalsContact C-N 3.25Å; K78-F80 PolarHBondContact O-N 2.92Å
79D95Very high94.8Very high100 Ų10067.5 Ų67.554%0.53537%0.365SS..Hα-helixtrans-76.4-19179.2-59.8-19.9000111.4N76 E77 F83N76-D79 HydrophobicContact CB-CB 4.4Å; N76-D79 WeakPolarHBondContact O-CB 3.18Å; N76-D79 PolarHBondContact O-N 2.92Å; E77-D79 PolarHBondContact O-N 3.37Å; E77-D79 VanDerWaalsContact O-N 3.15Å; D79-F83 WeakPolarHBondContact O-CD2 3.47Å; D79-F83 VanDerWaalsContact O-CE2 3.22Å; D79-F83 WeakPolarHBondContact O-CE2 3.35Å
80F95.9Very high94.7Very high6 Ų667.4 Ų67.43%0.02636%0.364CS..Hα-helixtrans-107.3-24.5-176.2-66-72.2000114.1Y72 M73 N76 E77 K78 G82 F83 I84 V90 V108 A112Y72-F80 AromaticContact CD1-CE2 3.79Å; Y72-F80 HydrophobicContact CD1-CE2 3.79Å; Y72-F80 AromaticContact CD1-CZ 3.78Å; Y72-F80 HydrophobicContact CD1-CZ 3.78Å; Y72-F80 AromaticContact CE1-CE2 3.85Å; Y72-F80 HydrophobicContact CE1-CE2 3.85Å; Y72-F80 AromaticContact CE1-CZ 3.74Å; Y72-F80 HydrophobicContact CE1-CZ 3.74Å; M73-F80 HydrophobicContact CB-CD2 4.13Å; M73-F80 HydrophobicContact CB-CE2 4.31Å; M73-F80 HydrophobicContact CE-CB 4.08Å; M73-F80 HydrophobicContact CE-CD1 3.93Å; M73-F80 HydrophobicContact CE-CG 3.93Å; M73-F80 HydrophobicContact CG-CD1 4.42Å; M73-F80 HydrophobicContact CG-CD2 4.08Å; M73-F80 HydrophobicContact CG-CE1 4.33Å; M73-F80 HydrophobicContact CG-CE2 4Å; M73-F80 HydrophobicContact CG-CG 4.29Å; M73-F80 HydrophobicContact CG-CZ 4.12Å; N76-F80 HydrophobicContact CB-CD2 4.38Å; N76-F80 HydrophobicContact CB-CE2 4.05Å; N76-F80 VanDerWaalsContact O-CD2 3.29Å; N76-F80 WeakPolarHBondContact O-CD2 3.39Å; E77-F80 CarbonylContact O-C 3.55Å; E77-F80 WeakPolarHBondContact O-CA 3.45Å; E77-F80 PolarHBondContact O-N 3.25Å; K78-F80 VanDerWaalsContact C-N 3.25Å; K78-F80 PolarHBondContact O-N 2.92Å; F80-G82 PolarHBondContact O-N 3.34Å; F80-G82 VanDerWaalsContact O-N 3.11Å; F80-F83 PolarHBondContact O-N 2.93Å; F80-I84 HydrophobicContact CB-CD1 4.5Å; F80-I84 PolarHBondContact O-N 3.21Å; F80-V90 HydrophobicContact CB-CG2 4.19Å; F80-V108 HydrophobicContact CD1-CG1 3.67Å; F80-V108 HydrophobicContact CE1-CG1 4.18Å; F80-A112 HydrophobicContact CE1-CB 3.89Å; F80-A112 HydrophobicContact CZ-CB 3.69Å
81E93.6Very high94.6Very high115 Ų11571 Ų7154%0.53738%0.381SS..G310 helixtrans-48.2-41.7-178.7-81.4169.8-164.500113E77 F83 I84 V90E77-E81 WeakPolarHBondContact O-CG 3.37Å; E77-E81 PolarHBondContact O-N 2.97Å; E81-F83 VanDerWaalsContact C-N 3.3Å; E81-F83 PolarHBondContact O-N 3.18Å; E81-I84 PolarHBondContact O-N 3.41Å; E81-V90 HydrophobicContact CG-CG2 4.04Å
82G93.5Very high94.5Very high79 Ų7974.4 Ų74.481%0.81440%0.399SS*.G310 helixtrans-73.5-14.9-178.900000115.5F80F80-G82 PolarHBondContact O-N 3.34Å; F80-G82 VanDerWaalsContact O-N 3.11Å
83F93.4Very high94.4Very high122 Ų12273 Ų7354%0.53539%0.393SS..G310 helixtrans-95.6-11.3178.9-62.6-78.1000112.9D79 F80 E81 V108D79-F83 WeakPolarHBondContact O-CD2 3.47Å; D79-F83 VanDerWaalsContact O-CE2 3.22Å; D79-F83 WeakPolarHBondContact O-CE2 3.35Å; F80-F83 PolarHBondContact O-N 2.93Å; E81-F83 VanDerWaalsContact C-N 3.3Å; E81-F83 PolarHBondContact O-N 3.18Å; F83-V108 HydrophobicContact CB-CG1 4.39Å; F83-V108 HydrophobicContact CB-CG2 3.8Å; F83-V108 HydrophobicContact CG-CG2 4.5Å
84I93.4Very high94.4Very high16 Ų1673 Ų738%0.08239%0.393CS..SBendtrans-95.9120.8-175.4-63.5172.8000109.4M73 F80 E81 I88 V90 Y93M73-I84 HydrophobicContact CE-CD1 4.47Å; F80-I84 HydrophobicContact CB-CD1 4.5Å; F80-I84 PolarHBondContact O-N 3.21Å; E81-I84 PolarHBondContact O-N 3.41Å; I84-I88 HydrophobicContact CG2-CD1 3.86Å; I84-I88 HydrophobicContact CG2-CG1 3.29Å; I84-V90 HydrophobicContact CD1-CB 4.06Å; I84-V90 HydrophobicContact CD1-CG1 4.35Å; I84-V90 HydrophobicContact CD1-CG2 3.62Å; I84-Y93 HydrophobicContact CD1-CD1 4.03Å; I84-Y93 HydrophobicContact CD1-CG 3.88Å; I84-Y93 HydrophobicContact CG1-CD1 4.36Å; I84-Y93 HydrophobicContact CG1-CD2 4.24Å; I84-Y93 HydrophobicContact CG1-CG 4.04Å; I84-Y93 HydrophobicContact CG2-CD2 4.1Å; I84-Y93 HydrophobicContact CG2-CG 4.19Å
85E89.5Confident94.2Very high150 Ų15072.6 Ų72.670%0.70140%0.4SS*.G310 helixtrans-76163.9-176.1-61.2-174.4170.100113.1G87E85-G87 PolarHBondContact O-N 2.95Å; E85-G87 VanDerWaalsContact O-N 3.13Å
86N88.6Confident94.1Very high152 Ų15274.4 Ų74.481%0.81340%0.404SS*.G310 helixtrans64.512.5171.9-52-56.9000116I88N86-I88 PolarHBondContact O-N 3Å
87G86.9Confident94Very high78 Ų7875.5 Ų75.580%0.80441%0.407SS*.G310 helixtrans67.121.1175.800000114.2E85E85-G87 PolarHBondContact O-N 2.95Å; E85-G87 VanDerWaalsContact O-N 3.13Å
88I94.4Very high94Very high54 Ų5472.7 Ų72.728%0.27740%0.395SS..  trans-73.1151170.667.4179.7000109.7I84 N86 D92 Y93I84-I88 HydrophobicContact CG2-CD1 3.86Å; I84-I88 HydrophobicContact CG2-CG1 3.29Å; N86-I88 PolarHBondContact O-N 3Å; I88-D92 HydrophobicContact CB-CB 4.35Å; I88-Y93 HydrophobicContact CD1-CD2 4.36Å
89S95.3Very high94Very high51 Ų5166.4 Ų66.436%0.35737%0.368SS..  trans-69.1158177.270.50000111.6E91 D92 Y93S89-E91 PolarHBondContact O-N 3.43Å; S89-D92 PolarHBondContact O-N 3.21Å; S89-D92 WeakPolarHBondContact OG-CB 3.38Å; S89-D92 PolarHBondContact OG-N 3.37Å; S89-D92 PolarHBondContact OG-OD2 3.16Å; S89-Y93 PolarHBondContact O-N 2.95Å
90V96.4Very high94Very high4 Ų463.9 Ų63.92%0.02436%0.357CS..Hα-helixtrans-57-36.4172.3177.10000111M73 E77 F80 E81 I84 C94M73-V90 HydrophobicContact CB-CG1 3.93Å; M73-V90 HydrophobicContact CE-CG1 4.35Å; E77-V90 HydrophobicContact CB-CB 4.21Å; E77-V90 HydrophobicContact CB-CG1 4.49Å; E77-V90 HydrophobicContact CB-CG2 3.91Å; E77-V90 HydrophobicContact CG-CB 3.99Å; E77-V90 HydrophobicContact CG-CG1 4.06Å; E77-V90 HydrophobicContact CG-CG2 4.25Å; F80-V90 HydrophobicContact CB-CG2 4.19Å; E81-V90 HydrophobicContact CG-CG2 4.04Å; I84-V90 HydrophobicContact CD1-CB 4.06Å; I84-V90 HydrophobicContact CD1-CG1 4.35Å; I84-V90 HydrophobicContact CD1-CG2 3.62Å; V90-C94 WeakPolarHBondContact O-CB 3.42Å; V90-C94 PolarHBondContact O-N 3.05Å; V90-C94 PolarHBondContact O-SG 3.04Å
91E94.7Very high94Very high76 Ų7667.6 Ų67.636%0.35538%0.375SS..Hα-helixtrans-61.5-49.3175.2-161.1162.7-173.300112.9R74 S89 C94 S95R74-E91 IonicContact CZ-OE1 3.06Å; R74-E91 IonicContact CZ-OE2 2.77Å; R74-E91 IonicContact NH1-OE1 2.9Å; R74-E91 IonicContact NH1-OE2 2.75Å; R74-E91 PolarHBondContact NH1-OE2 3.45Å; R74-E91 IonicContact NH2-OE1 3.52Å; R74-E91 PolarHBondContact NH2-OE1 2.93Å; R74-E91 IonicContact NH2-OE2 3.39Å; R74-E91 PolarHBondContact NH2-OE2 3.04Å; S89-E91 PolarHBondContact O-N 3.43Å; E91-C94 PolarHBondContact O-N 3.27Å; E91-S95 WeakPolarHBondContact O-CB 3.38Å; E91-S95 PolarHBondContact O-N 2.86Å; E91-S95 PolarHBondContact O-OG 2.89Å
92D95.2Very high94Very high72 Ų7265.8 Ų65.839%0.38539%0.388SS..Hα-helixtrans-65.8-42.4-178.9-72.3-48.1000111I88 S89 S95 R96I88-D92 HydrophobicContact CB-CB 4.35Å; S89-D92 PolarHBondContact O-N 3.21Å; S89-D92 WeakPolarHBondContact OG-CB 3.38Å; S89-D92 PolarHBondContact OG-N 3.37Å; S89-D92 PolarHBondContact OG-OD2 3.16Å; D92-S95 PolarHBondContact O-N 3.07Å; D92-R96 VanDerWaalsContact O-CG 3.27Å; D92-R96 WeakPolarHBondContact O-CG 3.48Å; D92-R96 PolarHBondContact O-N 3.36Å
93Y96.3Very high94Very high19 Ų1967.5 Ų67.58%0.07537%0.37CS..Hα-helixtrans-58.1-50.9173.1171.8-91.3000110.7M73 I84 I88 S89 S95 R96 E97 V98 D106 S109M73-Y93 HydrophobicContact CE-CD1 3.74Å; M73-Y93 HydrophobicContact CE-CE1 3.61Å; M73-Y93 HydrophobicContact SD-CE1 4.17Å; I84-Y93 HydrophobicContact CD1-CD1 4.03Å; I84-Y93 HydrophobicContact CD1-CG 3.88Å; I84-Y93 HydrophobicContact CG1-CD1 4.36Å; I84-Y93 HydrophobicContact CG1-CD2 4.24Å; I84-Y93 HydrophobicContact CG1-CG 4.04Å; I84-Y93 HydrophobicContact CG2-CD2 4.1Å; I84-Y93 HydrophobicContact CG2-CG 4.19Å; I88-Y93 HydrophobicContact CD1-CD2 4.36Å; S89-Y93 PolarHBondContact O-N 2.95Å; Y93-S95 VanDerWaalsContact C-N 3.3Å; Y93-S95 PolarHBondContact O-N 3Å; Y93-R96 PolarHBondContact O-N 2.98Å; Y93-R96 VanDerWaalsContact O-N 3.11Å; Y93-E97 HydrophobicContact CD2-CB 4.38Å; Y93-E97 HydrophobicContact CD2-CG 4.13Å; Y93-E97 HydrophobicContact CE2-CB 4.02Å; Y93-E97 HydrophobicContact CE2-CG 3.99Å; Y93-E97 PolarHBondContact O-N 3.5Å; Y93-V98 HydrophobicContact CD1-CG2 4.11Å; Y93-V98 HydrophobicContact CE1-CG2 3.58Å; Y93-D106 PolarHBondContact OH-OD1 3.36Å; Y93-D106 PolarHBondContact OH-OD2 2.98Å; Y93-S109 PolarHBondContact OH-OG 3.39Å
94C96.4Very high93.9Very high0 Ų069.1 Ų69.10%038%0.379CS..Iπ-helixtrans-58.9-41.9180-76.40000112.7F70 V90 E91 R96 V98 Q99F70-C94 HydrophobicContact CD2-CB 3.53Å; F70-C94 HydrophobicContact CE2-CB 4.06Å; V90-C94 WeakPolarHBondContact O-CB 3.42Å; V90-C94 PolarHBondContact O-N 3.05Å; V90-C94 PolarHBondContact O-SG 3.04Å; E91-C94 PolarHBondContact O-N 3.27Å; C94-R96 PolarHBondContact O-N 2.9Å; C94-V98 HydrophobicContact CB-CB 4.35Å; C94-V98 HydrophobicContact CB-CG2 4.49Å; C94-V98 WeakPolarHBondContact O-CB 3.47Å; C94-V98 PolarHBondContact O-N 3.25Å; C94-Q99 PolarHBondContact O-N 2.99Å
95S94Very high93.7Very high51 Ų5171.1 Ų71.136%0.35739%0.394SS..Iπ-helixtrans-65.4-26.7-179.5-59.30000112.8E91 D92 Y93 P100E91-S95 WeakPolarHBondContact O-CB 3.38Å; E91-S95 PolarHBondContact O-N 2.86Å; E91-S95 PolarHBondContact O-OG 2.89Å; D92-S95 PolarHBondContact O-N 3.07Å; Y93-S95 VanDerWaalsContact C-N 3.3Å; Y93-S95 PolarHBondContact O-N 3Å; S95-P100 WeakPolarHBondContact O-CD 3.17Å; S95-P100 VanDerWaalsContact O-CG 3.29Å; S95-P100 WeakPolarHBondContact O-CG 3.19Å
96R94.5Very high93.8Very high134 Ų13467.1 Ų67.151%0.50638%0.377SS..Iπ-helixtrans-97.4-39.3-176.4-66.8173.1-170-173.36113.5D92 Y93 C94 R103D92-R96 VanDerWaalsContact O-CG 3.27Å; D92-R96 WeakPolarHBondContact O-CG 3.48Å; D92-R96 PolarHBondContact O-N 3.36Å; Y93-R96 PolarHBondContact O-N 2.98Å; Y93-R96 VanDerWaalsContact O-N 3.11Å; C94-R96 PolarHBondContact O-N 2.9Å; R96-R103 PolarHBondContact O-NE 3.15Å; R96-R103 PolarHBondContact O-NH2 3.09Å
97E95.2Very high93.9Very high70 Ų7064 Ų6433%0.32736%0.358SS..Iπ-helixtrans-113.4-30.8-168.2-55.4-49.313900113.3Y93 R103Y93-E97 HydrophobicContact CD2-CB 4.38Å; Y93-E97 HydrophobicContact CD2-CG 4.13Å; Y93-E97 HydrophobicContact CE2-CB 4.02Å; Y93-E97 HydrophobicContact CE2-CG 3.99Å; Y93-E97 PolarHBondContact O-N 3.5Å; E97-R103 WeakPolarHBondContact O-CB 3.39Å; E97-R103 IonicContact OE1-NH2 3.67Å; E97-R103 IonicContact OE2-CZ 3.9Å; E97-R103 IonicContact OE2-NE 3.65Å
98V96.8Very high94.2Very high3 Ų361 Ų612%0.01832%0.324CS..Iπ-helixtrans-96.1-54.5-173.6-179.20000112.4R66 T69 F70 M73 Y93 C94R66-V98 WeakPolarHBondContact CD-O 3.44Å; R66-V98 WeakPolarHBondContact CG-O 3.29Å; R66-V98 PolarHBondContact NH1-O 3.32Å; T69-V98 HydrophobicContact CG2-CG1 3.67Å; F70-V98 HydrophobicContact CB-CG1 4.31Å; M73-V98 HydrophobicContact SD-CG2 3.92Å; Y93-V98 HydrophobicContact CD1-CG2 4.11Å; Y93-V98 HydrophobicContact CE1-CG2 3.58Å; C94-V98 HydrophobicContact CB-CB 4.35Å; C94-V98 HydrophobicContact CB-CG2 4.49Å; C94-V98 WeakPolarHBondContact O-CB 3.47Å; C94-V98 PolarHBondContact O-N 3.25Å
99Q94.4Very high94.3Very high43 Ų4358.7 Ų58.720%0.20131%0.312CS..SBendtrans-68.5-41.5-174-67-179.1-48.700113.8F70 C94F70-Q99 HydrophobicContact CB-CG 4.02Å; F70-Q99 HydrophobicContact CD2-CG 4.23Å; F70-Q99 HydrophobicContact CG-CG 4.02Å; C94-Q99 PolarHBondContact O-N 2.99Å
100P95.5Very high94.3Very high46 Ų4657.1 Ų57.130%0.29930%0.3SS..SBendtrans-66.9138.8-176.3-22.435.5000113R66 S95 R103R66-P100 VanDerWaalsContact CZ-O 3.3Å; R66-P100 PolarHBondContact NH1-O 2.97Å; R66-P100 VanDerWaalsContact NH1-O 3.16Å; S95-P100 WeakPolarHBondContact O-CD 3.17Å; S95-P100 VanDerWaalsContact O-CG 3.29Å; S95-P100 WeakPolarHBondContact O-CG 3.19Å; P100-R103 HydrophobicContact CB-CG 3.99Å
101M95.8Very high94.2Very high84 Ų8459.4 Ų59.441%0.41431%0.311SS..THydrogen-bonded Turntrans-66.9148.2171.4-70.4-66.2-77.500111N59 V62 V63 R103N59-M101 HydrophobicContact CB-CE 4.23Å; V62-M101 HydrophobicContact CB-CE 4.08Å; V62-M101 HydrophobicContact CB-SD 4.42Å; V62-M101 HydrophobicContact CG1-CE 3.78Å; V62-M101 HydrophobicContact CG1-SD 3.76Å; V63-M101 HydrophobicContact CG2-CE 4.26Å; V63-M101 HydrophobicContact CG2-CG 3.89Å; V63-M101 HydrophobicContact CG2-SD 3.52Å; V63-M101 VanDerWaalsContact CG2-SD 3.52Å; M101-R103 VanDerWaalsContact C-N 3.29Å; M101-R103 PolarHBondContact O-N 3.4Å
102G93.1Very high94.3Very high78 Ų7855.8 Ų55.880%0.80429%0.294SS*.THydrogen-bonded Turntrans80.90.3179.900000115.2
103R93.9Very high94.4Very high115 Ų11554.2 Ų54.243%0.43429%0.286SS..  trans-79140.2169.3-67.6-62.4-161-178.311.6111.6R66 R96 E97 P100 M101R66-R103 PolarHBondContact NH2-O 3.37Å; R96-R103 PolarHBondContact O-NE 3.15Å; R96-R103 PolarHBondContact O-NH2 3.09Å; E97-R103 WeakPolarHBondContact O-CB 3.39Å; E97-R103 IonicContact OE1-NH2 3.67Å; E97-R103 IonicContact OE2-CZ 3.9Å; E97-R103 IonicContact OE2-NE 3.65Å; P100-R103 HydrophobicContact CB-CG 3.99Å; M101-R103 VanDerWaalsContact C-N 3.29Å; M101-R103 PolarHBondContact O-N 3.4Å
104E91Very high94.4Very high155 Ų15553.8 Ų53.872%0.72429%0.285SS*.  trans-67.5143.1173.5-65.9-175.717500110.5
105C90.2Very high94.4Very high59 Ų5955.1 Ų55.140%0.39929%0.294SS..  trans-87.3112.2172.2-64.60000108.8I110C105-I110 HydrophobicContact CB-CG1 4.27Å
106D90.8Very high94.5Very high65 Ų6553.1 Ų53.135%0.34828%0.281SS..  trans-80.9178.1172.368.33.1000112Y93 V108 S109 I110Y93-D106 PolarHBondContact OH-OD1 3.36Å; Y93-D106 PolarHBondContact OH-OD2 2.98Å; D106-V108 PolarHBondContact O-N 3.48Å; D106-V108 PolarHBondContact OD1-N 2.98Å; D106-S109 PolarHBondContact O-N 2.96Å; D106-S109 VanDerWaalsContact OD1-CB 3.28Å; D106-S109 WeakPolarHBondContact OD1-CB 3.39Å; D106-S109 PolarHBondContact OD1-N 2.77Å; D106-S109 PolarHBondContact OD1-OG 2.86Å; D106-I110 VanDerWaalsContact O-CG1 3.27Å; D106-I110 WeakPolarHBondContact O-CG1 3.42Å; D106-I110 PolarHBondContact O-N 2.77Å
107H91Very high94.6Very high87 Ų8747.6 Ų47.640%0.40326%0.261SS..Hα-helixtrans-58-34.9179.6-175.1-87.1000112.7L111 F137H107-L111 WeakPolarHBondContact O-CB 3.34Å; H107-L111 PolarHBondContact O-N 2.79Å; H107-F137 AromaticContact CD2-CE1 3.55Å; H107-F137 AromaticContact CD2-CZ 3.51Å; H107-F137 AromaticContact CE1-CE1 3.88Å; H107-F137 AromaticContact NE2-CE1 3.33Å; H107-F137 VanDerWaalsContact NE2-CE1 3.33Å; H107-F137 WeakPolarHBondContact NE2-CE1 3.38Å; H107-F137 AromaticContact NE2-CZ 3.57Å
108V93.8Very high94.5Very high15 Ų1547.5 Ų47.59%0.09126%0.263CS..Hα-helixtrans-67.3-47.4179.9-174.60000110.3M73 F80 F83 D106 I110 L111 A112M73-V108 HydrophobicContact CE-CG1 3.74Å; F80-V108 HydrophobicContact CD1-CG1 3.67Å; F80-V108 HydrophobicContact CE1-CG1 4.18Å; F83-V108 HydrophobicContact CB-CG1 4.39Å; F83-V108 HydrophobicContact CB-CG2 3.8Å; F83-V108 HydrophobicContact CG-CG2 4.5Å; D106-V108 PolarHBondContact O-N 3.48Å; D106-V108 PolarHBondContact OD1-N 2.98Å; V108-I110 VanDerWaalsContact C-N 3.35Å; V108-I110 PolarHBondContact O-N 2.82Å; V108-L111 PolarHBondContact O-N 2.93Å; V108-A112 WeakPolarHBondContact O-CB 3.22Å; V108-A112 PolarHBondContact O-N 2.98Å
109S95.2Very high94.3Very high6 Ų648 Ų484%0.04227%0.266CS..Hα-helixtrans-64.1-38.7177.7-58.40000112.1T69 Y93 D106 L113T69-S109 WeakPolarHBondContact CG2-O 3.47Å; Y93-S109 PolarHBondContact OH-OG 3.39Å; D106-S109 PolarHBondContact O-N 2.96Å; D106-S109 VanDerWaalsContact OD1-CB 3.28Å; D106-S109 WeakPolarHBondContact OD1-CB 3.39Å; D106-S109 PolarHBondContact OD1-N 2.77Å; D106-S109 PolarHBondContact OD1-OG 2.86Å; S109-L113 WeakPolarHBondContact O-CB 3.27Å; S109-L113 PolarHBondContact O-N 2.92Å
110I95.7Very high94.3Very high18 Ų1846.4 Ų46.49%0.09226%0.259CS..Hα-helixtrans-64.7-49.2175.7-68.3165.6000110.4C105 D106 V108 A112 L113 I114 L121 I123 F137 Y156C105-I110 HydrophobicContact CB-CG1 4.27Å; D106-I110 VanDerWaalsContact O-CG1 3.27Å; D106-I110 WeakPolarHBondContact O-CG1 3.42Å; D106-I110 PolarHBondContact O-N 2.77Å; V108-I110 VanDerWaalsContact C-N 3.35Å; V108-I110 PolarHBondContact O-N 2.82Å; I110-A112 VanDerWaalsContact C-N 3.31Å; I110-A112 PolarHBondContact O-N 3Å; I110-L113 PolarHBondContact O-N 3Å; I110-I114 HydrophobicContact CG2-CG1 4.3Å; I110-I114 WeakPolarHBondContact O-CB 3.33Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.22Å; I110-I114 PolarHBondContact O-N 2.69Å; I110-L121 HydrophobicContact CG2-CD2 3.93Å; I110-I123 HydrophobicContact CD1-CD1 4.05Å; I110-I123 HydrophobicContact CG2-CD1 4.06Å; I110-F137 HydrophobicContact CB-CE1 4.32Å; I110-F137 HydrophobicContact CG2-CD1 3.87Å; I110-F137 HydrophobicContact CG2-CD2 4.26Å; I110-F137 HydrophobicContact CG2-CE1 3.72Å; I110-F137 HydrophobicContact CG2-CE2 4.14Å; I110-F137 HydrophobicContact CG2-CG 4.13Å; I110-F137 HydrophobicContact CG2-CZ 3.87Å; I110-Y156 HydrophobicContact CD1-CE1 4.26Å; I110-Y156 VanDerWaalsContact CD1-OH 3.24Å; I110-Y156 WeakPolarHBondContact CD1-OH 3.44Å
111L95Very high94.2Very high51 Ų5144.7 Ų44.727%0.26725%0.247SC..Hα-helixtrans-57.4-46177.7177.363.2000111.1H107 V108 S115 F137H107-L111 WeakPolarHBondContact O-CB 3.34Å; H107-L111 PolarHBondContact O-N 2.79Å; V108-L111 PolarHBondContact O-N 2.93Å; L111-S115 VanDerWaalsContact O-CB 3.25Å; L111-S115 WeakPolarHBondContact O-CB 3.4Å; L111-S115 PolarHBondContact O-N 3.04Å; L111-S115 PolarHBondContact O-OG 3.15Å; L111-F137 HydrophobicContact CB-CD1 4.31Å; L111-F137 HydrophobicContact CD1-CD1 4.37Å
112A97.1Very high94.2Very high0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-61.1-49178.500000112.1T69 Y72 M73 F80 V108 I110 S115 A116T69-A112 HydrophobicContact CG2-CB 3.7Å; Y72-A112 HydrophobicContact CD1-CB 4.13Å; M73-A112 HydrophobicContact CG-CB 3.46Å; M73-A112 VanDerWaalsContact CG-CB 3.46Å; M73-A112 HydrophobicContact SD-CB 4Å; F80-A112 HydrophobicContact CE1-CB 3.89Å; F80-A112 HydrophobicContact CZ-CB 3.69Å; V108-A112 WeakPolarHBondContact O-CB 3.22Å; V108-A112 PolarHBondContact O-N 2.98Å; I110-A112 VanDerWaalsContact C-N 3.31Å; I110-A112 PolarHBondContact O-N 3Å; A112-S115 PolarHBondContact O-N 2.94Å; A112-A116 VanDerWaalsContact O-CB 3.26Å; A112-A116 WeakPolarHBondContact O-CB 3.18Å; A112-A116 PolarHBondContact O-N 2.89Å
113L97.5Very high94.2Very high40 Ų4038.3 Ų38.321%0.20920%0.196CC..Hα-helixtrans-61.1-48.5179.5-179.556.4000111.9M65 I68 T69 S109 I110 S115 A116 L117M65-L113 HydrophobicContact CB-CD1 4.26Å; M65-L113 HydrophobicContact SD-CD1 4.06Å; I68-L113 HydrophobicContact CG2-CD1 4.17Å; T69-L113 HydrophobicContact CG2-CB 4.45Å; T69-L113 WeakPolarHBondContact OG1-CB 3.4Å; S109-L113 WeakPolarHBondContact O-CB 3.27Å; S109-L113 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 3Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 2.74Å; L113-A116 WeakPolarHBondContact O-CB 3.38Å; L113-A116 PolarHBondContact O-N 2.86Å; L113-L117 HydrophobicContact CD1-CD1 3.79Å; L113-L117 HydrophobicContact CD1-CG 4.03Å; L113-L117 HydrophobicContact CG-CD1 4.08Å; L113-L117 WeakPolarHBondContact O-CG 3.11Å; L113-L117 PolarHBondContact O-N 3.11Å
114I96.1Very high94.1Very high10 Ų1034.9 Ų34.95%0.05119%0.185CC..Hα-helixtrans-66.2-37.1-176.8-69.2-54.7000111.6I110 L117 D118 T119 L121 F137 N138I110-I114 HydrophobicContact CG2-CG1 4.3Å; I110-I114 WeakPolarHBondContact O-CB 3.33Å; I110-I114 VanDerWaalsContact O-CG1 3.31Å; I110-I114 WeakPolarHBondContact O-CG1 3.22Å; I110-I114 PolarHBondContact O-N 2.69Å; I114-L117 PolarHBondContact O-N 2.89Å; I114-D118 PolarHBondContact O-N 2.81Å; I114-D118 VanDerWaalsContact O-N 3.14Å; I114-T119 WeakPolarHBondContact CG2-O 3.47Å; I114-T119 PolarHBondContact O-N 2.93Å; I114-L121 HydrophobicContact CD1-CB 3.85Å; I114-L121 HydrophobicContact CD1-CD2 3.81Å; I114-L121 HydrophobicContact CD1-CG 4.4Å; I114-L121 HydrophobicContact CG1-CB 4Å; I114-L121 HydrophobicContact CG1-CD2 3.67Å; I114-L121 HydrophobicContact CG1-CG 4.48Å; I114-L121 HydrophobicContact CG2-CB 4.25Å; I114-F137 HydrophobicContact CB-CB 4.28Å; I114-F137 HydrophobicContact CG1-CB 4.5Å; I114-F137 HydrophobicContact CG2-CB 3.68Å; I114-N138 HydrophobicContact CG2-CB 3.52Å
115S95.3Very high94.1Very high28 Ų2829.3 Ų29.320%0.19616%0.157CC..Hα-helixtrans-68.6-40173.6-54.20000111.5Y72 L111 A112 L113 L117 D118Y72-S115 WeakPolarHBondContact OH-CB 3.35Å; L111-S115 VanDerWaalsContact O-CB 3.25Å; L111-S115 WeakPolarHBondContact O-CB 3.4Å; L111-S115 PolarHBondContact O-N 3.04Å; L111-S115 PolarHBondContact O-OG 3.15Å; A112-S115 PolarHBondContact O-N 2.94Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-S115 PolarHBondContact O-N 2.74Å; S115-L117 VanDerWaalsContact C-N 3.29Å; S115-L117 PolarHBondContact O-N 2.93Å; S115-D118 PolarHBondContact O-N 2.74Å
116A97.1Very high93.7Very high9 Ų931.2 Ų31.27%0.07416%0.161CC..Hα-helixtrans-63.1-33.3176.800000113.6V7 W11 I68 Y72 A112 L113V7-A116 WeakPolarHBondContact CG1-O 3.45Å; W11-A116 HydrophobicContact CZ2-CB 3.87Å; W11-A116 PolarHBondContact NE1-O 3.18Å; I68-A116 HydrophobicContact CG2-CB 3.49Å; I68-A116 VanDerWaalsContact CG2-CB 3.49Å; Y72-A116 VanDerWaalsContact CD2-CA 3.46Å; Y72-A116 HydrophobicContact CD2-CB 3.66Å; Y72-A116 HydrophobicContact CG-CB 3.75Å; A112-A116 VanDerWaalsContact O-CB 3.26Å; A112-A116 WeakPolarHBondContact O-CB 3.18Å; A112-A116 PolarHBondContact O-N 2.89Å; L113-A116 WeakPolarHBondContact O-CB 3.38Å; L113-A116 PolarHBondContact O-N 2.86Å
117L95.4Very high92.9Very high17 Ų1730.7 Ų30.79%0.08916%0.159CC..THydrogen-bonded Turntrans-90.1-5.8179.4-63.4-179000113.6I4 V7 M65 I68 L113 I114 S115 T119I4-L117 HydrophobicContact CD1-CD2 3.86Å; V7-L117 HydrophobicContact CG1-CD2 4.18Å; M65-L117 HydrophobicContact SD-CD1 4.07Å; M65-L117 HydrophobicContact SD-CD2 4.49Å; I68-L117 HydrophobicContact CD1-CD2 4.26Å; I68-L117 HydrophobicContact CG2-CD2 4.16Å; L113-L117 HydrophobicContact CD1-CD1 3.79Å; L113-L117 HydrophobicContact CD1-CG 4.03Å; L113-L117 HydrophobicContact CG-CD1 4.08Å; L113-L117 WeakPolarHBondContact O-CG 3.11Å; L113-L117 PolarHBondContact O-N 3.11Å; I114-L117 PolarHBondContact O-N 2.89Å; S115-L117 VanDerWaalsContact C-N 3.29Å; S115-L117 PolarHBondContact O-N 2.93Å; L117-T119 VanDerWaalsContact C-N 3.25Å; L117-T119 PolarHBondContact O-N 2.87Å; L117-T119 PolarHBondContact O-OG1 3.41Å
118D93.2Very high91.5Very high69 Ų6936 Ų3637%0.36918%0.184SC..THydrogen-bonded Turntrans4153.4-169.6-175.232.2000112I114 S115 N138 K143I114-D118 PolarHBondContact O-N 2.81Å; I114-D118 VanDerWaalsContact O-N 3.14Å; S115-D118 PolarHBondContact O-N 2.74Å; D118-N138 VanDerWaalsContact C-ND2 3.31Å; D118-N138 WeakPolarHBondContact CA-ND2 3.41Å; D118-N138 PolarHBondContact OD1-ND2 3.18Å; D118-K143 IonicContact OD1-NZ 3.11Å; D118-K143 PolarHBondContact OD1-NZ 3.32Å; D118-K143 VanDerWaalsContact OD1-NZ 3.11Å; D118-K143 IonicContact OD2-NZ 3.78Å
119T92.7Very high90.1Very high12 Ų1241.1 Ų41.17%0.07422%0.215CC..  trans-130.3113.6-174.3-66.40000111R3 I114 L117 L121 N138 I146 L147R3-T119 PolarHBondContact NH2-OG1 3.24Å; I114-T119 WeakPolarHBondContact CG2-O 3.47Å; I114-T119 PolarHBondContact O-N 2.93Å; L117-T119 VanDerWaalsContact C-N 3.25Å; L117-T119 PolarHBondContact O-N 2.87Å; L117-T119 PolarHBondContact O-OG1 3.41Å; T119-L121 PolarHBondContact O-N 3.39Å; T119-N138 PolarHBondContact N-ND2 2.93Å; T119-I146 HydrophobicContact CG2-CD1 3.81Å; T119-I146 HydrophobicContact CG2-CG1 3.83Å; T119-L147 HydrophobicContact CG2-CD1 3.62Å; T119-L147 HydrophobicContact CG2-CG 3.89Å
120P94.1Very high88.4Confident10 Ų1042.8 Ų42.87%0.06523%0.225CC..  trans-69.9130.7-175.329.4-35.9000111.6F137 N138 T139 K143 P144 I146 L147P120-F137 WeakPolarHBondContact CA-O 3.38Å; P120-N138 WeakPolarHBondContact CB-O 3.44Å; P120-T139 HydrophobicContact CB-CG2 3.98Å; P120-K143 HydrophobicContact CG-CB 4.5Å; P120-P144 WeakPolarHBondContact CG-O 3.27Å; P120-I146 HydrophobicContact CG-CG1 4.19Å; P120-I146 HydrophobicContact CG-CG2 4.17Å; P120-I146 PolarHBondContact O-N 3.11Å; P120-L147 PolarHBondContact O-N 3.48Å
121L95.2Very high86.6Confident10 Ų1049.3 Ų49.35%0.05226%0.26CS..EExtended strand (participates in β ladder)trans-125.1139.9-175.8167.270.1000110.2I110 I114 T119 I123 N136 F137 L147 F149I110-L121 HydrophobicContact CG2-CD2 3.93Å; I114-L121 HydrophobicContact CD1-CB 3.85Å; I114-L121 HydrophobicContact CD1-CD2 3.81Å; I114-L121 HydrophobicContact CD1-CG 4.4Å; I114-L121 HydrophobicContact CG1-CB 4Å; I114-L121 HydrophobicContact CG1-CD2 3.67Å; I114-L121 HydrophobicContact CG1-CG 4.48Å; I114-L121 HydrophobicContact CG2-CB 4.25Å; T119-L121 PolarHBondContact O-N 3.39Å; L121-I123 HydrophobicContact CD1-CG1 4.26Å; L121-I123 HydrophobicContact CD2-CD1 3.86Å; L121-I123 HydrophobicContact CD2-CG1 3.82Å; L121-I123 HydrophobicContact CG-CG1 3.94Å; L121-N136 WeakPolarHBondContact O-CA 3.42Å; L121-F137 HydrophobicContact CB-CB 4.28Å; L121-F137 HydrophobicContact CD2-CD2 4.19Å; L121-F137 HydrophobicContact CG-CD2 4.31Å; L121-F137 PolarHBondContact N-O 3.5Å; L121-F137 PolarHBondContact O-N 2.97Å; L121-L147 WeakPolarHBondContact CA-O 3.49Å; L121-L147 HydrophobicContact CB-CB 4.39Å; L121-L147 HydrophobicContact CD1-CB 3.66Å; L121-F149 HydrophobicContact CD1-CB 4.42Å; L121-F149 HydrophobicContact CD1-CD2 3.33Å; L121-F149 HydrophobicContact CD1-CE2 3.91Å; L121-F149 HydrophobicContact CD1-CG 4.17Å
122Q94.3Very high85.3Confident27 Ų2750 Ų5013%0.12628%0.279CS..EExtended strand (participates in β ladder)trans-117.8133.7165.7-179.9172.7-52.700109.8E124 H134 H135 N136 P145 L147 Y148 F149Q122-E124 PolarHBondContact NE2-OE1 3.25Å; Q122-H134 HydrophobicContact CG-CB 3.83Å; Q122-H135 CarbonylContact C-O 3.54Å; Q122-H135 WeakPolarHBondContact CA-O 3.42Å; Q122-N136 WeakPolarHBondContact CB-OD1 3.28Å; Q122-N136 VanDerWaalsContact CG-OD1 3.25Å; Q122-N136 WeakPolarHBondContact CG-OD1 3.24Å; Q122-N136 PolarHBondContact OE1-OD1 3.27Å; Q122-P145 HydrophobicContact CB-CB 3.72Å; Q122-P145 HydrophobicContact CB-CG 3.7Å; Q122-L147 PolarHBondContact N-O 2.81Å; Q122-Y148 HydrophobicContact CB-CD1 3.81Å; Q122-Y148 HydrophobicContact CB-CE1 4.17Å; Q122-Y148 HydrophobicContact CG-CD1 4.35Å; Q122-Y148 WeakPolarHBondContact O-CA 3.16Å; Q122-F149 PolarHBondContact O-N 3.31Å
123I94Very high84.7Confident2 Ų252.6 Ų52.61%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-115.9117.2174.9-54.2-176000108.2I110 L121 Y125 H134 H135 F137 F149 Y156I110-I123 HydrophobicContact CD1-CD1 4.05Å; I110-I123 HydrophobicContact CG2-CD1 4.06Å; L121-I123 HydrophobicContact CD1-CG1 4.26Å; L121-I123 HydrophobicContact CD2-CD1 3.86Å; L121-I123 HydrophobicContact CD2-CG1 3.82Å; L121-I123 HydrophobicContact CG-CG1 3.94Å; I123-Y125 HydrophobicContact CB-CE2 3.91Å; I123-Y125 HydrophobicContact CG2-CD2 4.11Å; I123-Y125 HydrophobicContact CG2-CE2 3.62Å; I123-Y125 WeakPolarHBondContact O-CD2 3.37Å; I123-H134 CarbonylContact O-C 3.47Å; I123-H134 WeakPolarHBondContact O-CA 3.33Å; I123-H135 PolarHBondContact N-O 2.85Å; I123-H135 PolarHBondContact O-N 3.13Å; I123-F137 HydrophobicContact CB-CE2 4.33Å; I123-F137 HydrophobicContact CD1-CD2 4.21Å; I123-F137 HydrophobicContact CD1-CE2 3.53Å; I123-F137 HydrophobicContact CD1-CZ 4.13Å; I123-F137 HydrophobicContact CG1-CD2 4.22Å; I123-F137 HydrophobicContact CG1-CE2 3.79Å; I123-F149 CarbonylContact C-O 3.5Å; I123-F149 WeakPolarHBondContact CA-O 3.46Å; I123-F149 HydrophobicContact CG1-CB 4.37Å; I123-Y156 HydrophobicContact CD1-CE1 4Å; I123-Y156 HydrophobicContact CG2-CD1 4.49Å; I123-Y156 HydrophobicContact CG2-CE1 4.11Å
124E92.2Very high84.2Confident42 Ų4254.9 Ų54.920%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-80.5127.9170.4-66.3-62.4156.500109.6Q122 F149 L150 Y151 L159Q122-E124 PolarHBondContact NE2-OE1 3.25Å; E124-F149 PolarHBondContact N-O 3.42Å; E124-L150 HydrophobicContact CB-CD1 4Å; E124-Y151 PolarHBondContact O-N 3.06Å; E124-L159 HydrophobicContact CB-CD1 4.11Å; E124-L159 HydrophobicContact CG-CD1 3.84Å
125Y89.4Confident83.9Confident39 Ų3958.4 Ų58.415%0.15332%0.32CS..EExtended strand (participates in β ladder)trans-98.3118.4178.5-75.5-109.5000109.5I123 T133 H135 Y151I123-Y125 HydrophobicContact CB-CE2 3.91Å; I123-Y125 HydrophobicContact CG2-CD2 4.11Å; I123-Y125 HydrophobicContact CG2-CE2 3.62Å; I123-Y125 WeakPolarHBondContact O-CD2 3.37Å; Y125-T133 PolarHBondContact N-O 3.25Å; Y125-H135 AromaticContact CD2-CD2 3.53Å; Y125-H135 HydrophobicContact CE2-CB 3.85Å; Y125-H135 AromaticContact CE2-CD2 3.22Å; Y125-H135 WeakPolarHBondContact CE2-CD2 3.46Å; Y125-H135 AromaticContact CE2-CG 3.73Å; Y125-H135 AromaticContact CZ-CD2 3.83Å; Y125-Y151 AromaticContact CD1-CD1 3.34Å; Y125-Y151 HydrophobicContact CD1-CD1 3.34Å; Y125-Y151 HydrophobicContact CD1-CE1 4.03Å; Y125-Y151 HydrophobicContact CD1-CG 4.15Å; Y125-Y151 AromaticContact CE1-CD1 3.43Å; Y125-Y151 HydrophobicContact CE1-CD1 3.43Å; Y125-Y151 VanDerWaalsContact CE1-CD1 3.43Å; Y125-Y151 AromaticContact CE1-CE1 3.95Å; Y125-Y151 HydrophobicContact CE1-CE1 3.95Å; Y125-Y151 HydrophobicContact CE1-CG 4.01Å; Y125-Y151 HydrophobicContact CG-CD1 4.23Å
126M82.2Confident83.8Confident98 Ų9860.3 Ų60.348%0.48333%0.328SS..  trans-103.977.5173.3-167.1-179.683.100109.1L150 Y151 R152M126-L150 HydrophobicContact CB-CD1 3.84Å; M126-L150 HydrophobicContact SD-CD2 4.46Å; M126-Y151 PolarHBondContact N-O 2.87Å; M126-R152 HydrophobicContact CB-CG 4.48Å; M126-R152 VanDerWaalsContact CE-CD 3.48Å; M126-R152 HydrophobicContact CE-CG 3.83Å
127D75.3Confident83.5Confident54 Ų5460.1 Ų60.129%0.28933%0.326SS..  trans-112.9160.1162.878.140.1000110.4T129 T130D127-T129 PolarHBondContact O-N 3.26Å; D127-T129 VanDerWaalsContact O-N 3.13Å; D127-T129 VanDerWaalsContact OD1-CA 3.29Å; D127-T129 WeakPolarHBondContact OD1-CA 3.33Å; D127-T129 WeakPolarHBondContact OD1-CB 3.36Å; D127-T129 PolarHBondContact OD1-N 2.99Å; D127-T129 PolarHBondContact OD1-OG1 3.38Å; D127-T130 PolarHBondContact O-N 2.91Å; D127-T130 WeakPolarHBondContact OD1-CB 3.44Å; D127-T130 PolarHBondContact OD1-N 3.16Å; D127-T130 PolarHBondContact OD1-OG1 3.47Å; D127-T130 PolarHBondContact OD2-OG1 2.65Å
128Q59.9Low83.2Confident198 Ų19861.2 Ų61.293%0.92533%0.332SS*.SBendtrans-67.6-10.8-176.5-64.6-177.49.200113
129T66.1Low82.7Confident124 Ų12459.6 Ų59.676%0.76132%0.324SS*.SBendtrans-103.2-21.3-175540000113.4D127D127-T129 PolarHBondContact O-N 3.26Å; D127-T129 VanDerWaalsContact O-N 3.13Å; D127-T129 VanDerWaalsContact OD1-CA 3.29Å; D127-T129 WeakPolarHBondContact OD1-CA 3.33Å; D127-T129 WeakPolarHBondContact OD1-CB 3.36Å; D127-T129 PolarHBondContact OD1-N 2.99Å; D127-T129 PolarHBondContact OD1-OG1 3.38Å
130T59.2Low82Confident41 Ų4162.1 Ų62.125%0.25235%0.346SS..  trans-130.238.6-169.672.90000113.3D127 G132 T133D127-T130 PolarHBondContact O-N 2.91Å; D127-T130 WeakPolarHBondContact OD1-CB 3.44Å; D127-T130 PolarHBondContact OD1-N 3.16Å; D127-T130 PolarHBondContact OD1-OG1 3.47Å; D127-T130 PolarHBondContact OD2-OG1 2.65Å; T130-G132 PolarHBondContact O-N 2.98Å; T130-T133 WeakPolarHBondContact CB-OG1 3.18Å; T130-T133 HydrophobicContact CG2-CG2 4.32Å; T130-T133 PolarHBondContact O-N 2.97Å; T130-T133 PolarHBondContact O-OG1 2.99Å; T130-T133 PolarHBondContact OG1-OG1 3.5Å
131L58.5Low81.2Confident155 Ų15569 Ų6981%0.81238%0.383SS*.THydrogen-bonded Turntrans-49.8111.7172.1-77.6165.6000110.6
132G67.6Low80.4Confident65 Ų6571.9 Ų71.967%0.6742%0.415SS*.THydrogen-bonded Turntrans97.87.1-18000000116.1T130T130-G132 PolarHBondContact O-N 2.98Å
133T82.9Confident80Confident54 Ų5474.4 Ų74.433%0.33143%0.425SS..  trans-86.8129170.859.40000111.4Y125 T130Y125-T133 PolarHBondContact N-O 3.25Å; T130-T133 WeakPolarHBondContact CB-OG1 3.18Å; T130-T133 HydrophobicContact CG2-CG2 4.32Å; T130-T133 PolarHBondContact O-N 2.97Å; T130-T133 PolarHBondContact O-OG1 2.99Å; T130-T133 PolarHBondContact OG1-OG1 3.5Å
134H88Confident79.8Confident88 Ų8878.7 Ų78.741%0.40745%0.453SS..EExtended strand (participates in β ladder)trans-121.1150.1168.860.8-90.4000110.5Q122 I123 N136Q122-H134 HydrophobicContact CG-CB 3.83Å; I123-H134 CarbonylContact O-C 3.47Å; I123-H134 WeakPolarHBondContact O-CA 3.33Å; H134-N136 PolarHBondContact CD2-ND2 2.73Å; H134-N136 PolarHBondContact NE2-ND2 3.04Å
135H90.1Very high79.8Confident84 Ų8477.6 Ų77.639%0.38945%0.45SS..EExtended strand (participates in β ladder)trans-110.2131169.5-73.3-106.8000109.8Q122 I123 Y125 F137Q122-H135 CarbonylContact C-O 3.54Å; Q122-H135 WeakPolarHBondContact CA-O 3.42Å; I123-H135 PolarHBondContact N-O 2.85Å; I123-H135 PolarHBondContact O-N 3.13Å; Y125-H135 AromaticContact CD2-CD2 3.53Å; Y125-H135 HydrophobicContact CE2-CB 3.85Å; Y125-H135 AromaticContact CE2-CD2 3.22Å; Y125-H135 WeakPolarHBondContact CE2-CD2 3.46Å; Y125-H135 AromaticContact CE2-CG 3.73Å; Y125-H135 AromaticContact CZ-CD2 3.83Å; H135-F137 HydrophobicContact CB-CE2 3.72Å; H135-F137 HydrophobicContact CB-CZ 4.12Å
136N91.8Very high80Confident69 Ų6980.5 Ų80.537%0.36947%0.467SS..EExtended strand (participates in β ladder)trans-103.6133.6177.9-72-35.3000110.5L121 Q122 H134 T139L121-N136 WeakPolarHBondContact O-CA 3.42Å; Q122-N136 WeakPolarHBondContact CB-OD1 3.28Å; Q122-N136 VanDerWaalsContact CG-OD1 3.25Å; Q122-N136 WeakPolarHBondContact CG-OD1 3.24Å; Q122-N136 PolarHBondContact OE1-OD1 3.27Å; H134-N136 PolarHBondContact CD2-ND2 2.73Å; H134-N136 PolarHBondContact NE2-ND2 3.04Å; N136-T139 HydrophobicContact CB-CG2 3.77Å; N136-T139 WeakPolarHBondContact CB-OG1 3.47Å
137F92Very high80.6Confident5 Ų579.2 Ų79.22%0.02246%0.461CS..EExtended strand (participates in β ladder)trans-122.1133.3179.5-59.2-97.7000109.6H107 I110 L111 I114 P120 L121 I123 H135 T139H107-F137 AromaticContact CD2-CE1 3.55Å; H107-F137 AromaticContact CD2-CZ 3.51Å; H107-F137 AromaticContact CE1-CE1 3.88Å; H107-F137 AromaticContact NE2-CE1 3.33Å; H107-F137 VanDerWaalsContact NE2-CE1 3.33Å; H107-F137 WeakPolarHBondContact NE2-CE1 3.38Å; H107-F137 AromaticContact NE2-CZ 3.57Å; I110-F137 HydrophobicContact CB-CE1 4.32Å; I110-F137 HydrophobicContact CG2-CD1 3.87Å; I110-F137 HydrophobicContact CG2-CD2 4.26Å; I110-F137 HydrophobicContact CG2-CE1 3.72Å; I110-F137 HydrophobicContact CG2-CE2 4.14Å; I110-F137 HydrophobicContact CG2-CG 4.13Å; I110-F137 HydrophobicContact CG2-CZ 3.87Å; L111-F137 HydrophobicContact CB-CD1 4.31Å; L111-F137 HydrophobicContact CD1-CD1 4.37Å; I114-F137 HydrophobicContact CB-CB 4.28Å; I114-F137 HydrophobicContact CG1-CB 4.5Å; I114-F137 HydrophobicContact CG2-CB 3.68Å; P120-F137 WeakPolarHBondContact CA-O 3.38Å; L121-F137 HydrophobicContact CB-CB 4.28Å; L121-F137 HydrophobicContact CD2-CD2 4.19Å; L121-F137 HydrophobicContact CG-CD2 4.31Å; L121-F137 PolarHBondContact N-O 3.5Å; L121-F137 PolarHBondContact O-N 2.97Å; I123-F137 HydrophobicContact CB-CE2 4.33Å; I123-F137 HydrophobicContact CD1-CD2 4.21Å; I123-F137 HydrophobicContact CD1-CE2 3.53Å; I123-F137 HydrophobicContact CD1-CZ 4.13Å; I123-F137 HydrophobicContact CG1-CD2 4.22Å; I123-F137 HydrophobicContact CG1-CE2 3.79Å; H135-F137 HydrophobicContact CB-CE2 3.72Å; H135-F137 HydrophobicContact CB-CZ 4.12Å; F137-T139 PolarHBondContact O-N 3.31Å
138N89Confident81.6Confident40 Ų4079.7 Ų79.721%0.21446%0.46CS..SBendtrans52.732.8-177.7-165.734.3000114.5I114 D118 T119 P120I114-N138 HydrophobicContact CG2-CB 3.52Å; D118-N138 VanDerWaalsContact C-ND2 3.31Å; D118-N138 WeakPolarHBondContact CA-ND2 3.41Å; D118-N138 PolarHBondContact OD1-ND2 3.18Å; T119-N138 PolarHBondContact N-ND2 2.93Å; P120-N138 WeakPolarHBondContact CB-O 3.44Å
139T82.8Confident83.2Confident35 Ų3572.9 Ų72.922%0.21543%0.427CS..  trans-98.611.3175.163.10000112.9P120 N136 F137 K143 P145P120-T139 HydrophobicContact CB-CG2 3.98Å; N136-T139 HydrophobicContact CB-CG2 3.77Å; N136-T139 WeakPolarHBondContact CB-OG1 3.47Å; F137-T139 PolarHBondContact O-N 3.31Å; T139-K143 WeakPolarHBondContact CB-O 3.49Å; T139-P145 HydrophobicContact CG2-CG 3.9Å
140A77.1Confident84.5Confident64 Ų6468.7 Ų68.753%0.52940%0.4SS..G310 helixtrans-56.7156.917100000109.9G142A140-G142 PolarHBondContact O-N 3.28Å
141D78.1Confident86.1Confident156 Ų15669.7 Ų69.783%0.83440%0.399SS*.G310 helixtrans65.418.8-176.4-46.9-37.2000115.3K143D141-K143 VanDerWaalsContact C-N 3.27Å; D141-K143 PolarHBondContact O-N 2.92Å
142G78.1Confident87.5Confident70 Ų7067 Ų6772%0.72238%0.378SS*.G310 helixtrans73.716176.100000114.2A140 P144A140-G142 PolarHBondContact O-N 3.28Å; G142-P144 VanDerWaalsContact O-CD 3.26Å; G142-P144 WeakPolarHBondContact O-CD 3.29Å
143K84.9Confident88.4Confident80 Ų8068.9 Ų68.935%0.34838%0.379SS..  trans-67.2113.6170.7-66.4178.7-176.4172.50108.9D118 P120 T139 D141D118-K143 IonicContact OD1-NZ 3.11Å; D118-K143 PolarHBondContact OD1-NZ 3.32Å; D118-K143 VanDerWaalsContact OD1-NZ 3.11Å; D118-K143 IonicContact OD2-NZ 3.78Å; P120-K143 HydrophobicContact CG-CB 4.5Å; T139-K143 WeakPolarHBondContact CB-O 3.49Å; D141-K143 VanDerWaalsContact C-N 3.27Å; D141-K143 PolarHBondContact O-N 2.92Å
144P90.4Very high88.4Confident92 Ų9268.8 Ų68.860%0.59739%0.388SS*.  trans-66.6147.7177.228.5-34.2000110.4P120 G142 I146P120-P144 WeakPolarHBondContact CG-O 3.27Å; G142-P144 VanDerWaalsContact O-CD 3.26Å; G142-P144 WeakPolarHBondContact O-CD 3.29Å; P144-I146 PolarHBondContact O-N 3.11Å
145P92.3Very high88.5Confident19 Ų1968.8 Ų68.812%0.12339%0.388CS..  trans-52.2139.6170.7-22.130.6000111.6Q122 T139 Y148Q122-P145 HydrophobicContact CB-CB 3.72Å; Q122-P145 HydrophobicContact CB-CG 3.7Å; T139-P145 HydrophobicContact CG2-CG 3.9Å; P145-Y148 HydrophobicContact CB-CD1 4.26Å; P145-Y148 HydrophobicContact CB-CE1 3.67Å; P145-Y148 HydrophobicContact CG-CE1 4.28Å; P145-Y148 PolarHBondContact O-OH 3.23Å; P145-Y148 VanDerWaalsContact O-OH 3.04Å
146I93.4Very high88.7Confident100 Ų10068.4 Ų68.451%0.51338%0.384SS..SBendtrans-115-15.4170.970.3174.8000112.1T119 P120 P144T119-I146 HydrophobicContact CG2-CD1 3.81Å; T119-I146 HydrophobicContact CG2-CG1 3.83Å; P120-I146 HydrophobicContact CG-CG1 4.19Å; P120-I146 HydrophobicContact CG-CG2 4.17Å; P120-I146 PolarHBondContact O-N 3.11Å; P144-I146 PolarHBondContact O-N 3.11Å
147L95.1Very high88.8Confident70 Ų7067.5 Ų67.537%0.36638%0.379SS..EExtended strand (participates in β ladder)trans-112.6138172-62-177.2000108.7T119 P120 L121 Q122 F149T119-L147 HydrophobicContact CG2-CD1 3.62Å; T119-L147 HydrophobicContact CG2-CG 3.89Å; P120-L147 PolarHBondContact O-N 3.48Å; L121-L147 WeakPolarHBondContact CA-O 3.49Å; L121-L147 HydrophobicContact CB-CB 4.39Å; L121-L147 HydrophobicContact CD1-CB 3.66Å; Q122-L147 PolarHBondContact N-O 2.81Å; L147-F149 HydrophobicContact CB-CD2 4.47Å; L147-F149 HydrophobicContact CB-CE2 4.17Å
148Y95.6Very high88.9Confident65 Ų6571.8 Ų71.826%0.25540%0.402SS..EExtended strand (participates in β ladder)trans-133.8127.3-179.5-59.2-87.5000109.4Q122 P145 L159 F161Q122-Y148 HydrophobicContact CB-CD1 3.81Å; Q122-Y148 HydrophobicContact CB-CE1 4.17Å; Q122-Y148 HydrophobicContact CG-CD1 4.35Å; Q122-Y148 WeakPolarHBondContact O-CA 3.16Å; P145-Y148 HydrophobicContact CB-CD1 4.26Å; P145-Y148 HydrophobicContact CB-CE1 3.67Å; P145-Y148 HydrophobicContact CG-CE1 4.28Å; P145-Y148 PolarHBondContact O-OH 3.23Å; P145-Y148 VanDerWaalsContact O-OH 3.04Å; Y148-L159 PolarHBondContact O-N 3.13Å; Y148-F161 HydrophobicContact CD1-CD2 4.18Å; Y148-F161 AromaticContact CD1-CE2 3.36Å; Y148-F161 HydrophobicContact CD1-CE2 3.36Å; Y148-F161 HydrophobicContact CD1-CZ 4.2Å; Y148-F161 AromaticContact CD2-CD2 3.84Å; Y148-F161 HydrophobicContact CD2-CD2 3.84Å; Y148-F161 AromaticContact CD2-CE2 3.82Å; Y148-F161 HydrophobicContact CD2-CE2 3.82Å; Y148-F161 HydrophobicContact CE1-CD2 4.3Å; Y148-F161 AromaticContact CE1-CE2 3.69Å; Y148-F161 HydrophobicContact CE1-CE2 3.69Å; Y148-F161 HydrophobicContact CE1-CZ 4.49Å; Y148-F161 AromaticContact CE2-CD2 4Å; Y148-F161 HydrophobicContact CE2-CD2 4Å; Y148-F161 HydrophobicContact CE2-CE2 4.14Å; Y148-F161 AromaticContact CG-CD2 3.92Å; Y148-F161 HydrophobicContact CG-CD2 3.92Å; Y148-F161 AromaticContact CG-CE2 3.4Å; Y148-F161 HydrophobicContact CG-CE2 3.4Å
149F95.1Very high89.2Confident55 Ų5572.5 Ų72.524%0.24141%0.405CS..EExtended strand (participates in β ladder)trans-129.1150-177.7-79-110.6000110.2L121 Q122 I123 E124 L147 D157 I158L121-F149 HydrophobicContact CD1-CB 4.42Å; L121-F149 HydrophobicContact CD1-CD2 3.33Å; L121-F149 HydrophobicContact CD1-CE2 3.91Å; L121-F149 HydrophobicContact CD1-CG 4.17Å; Q122-F149 PolarHBondContact O-N 3.31Å; I123-F149 CarbonylContact C-O 3.5Å; I123-F149 WeakPolarHBondContact CA-O 3.46Å; I123-F149 HydrophobicContact CG1-CB 4.37Å; E124-F149 PolarHBondContact N-O 3.42Å; L147-F149 HydrophobicContact CB-CD2 4.47Å; L147-F149 HydrophobicContact CB-CE2 4.17Å; F149-D157 CarbonylContact C-O 3.3Å; F149-D157 WeakPolarHBondContact CA-O 3.29Å; F149-I158 HydrophobicContact CD1-CG1 4.4Å; F149-I158 HydrophobicContact CE1-CG1 3.8Å; F149-I158 HydrophobicContact CZ-CG1 3.91Å
150L93.2Very high89.5Confident36 Ų3680.2 Ų80.219%0.18843%0.431CS..EExtended strand (participates in β ladder)trans-102.7120.8168.3-175.967.7000108.1E124 M126 R152 Y156 D157 L159E124-L150 HydrophobicContact CB-CD1 4Å; M126-L150 HydrophobicContact CB-CD1 3.84Å; M126-L150 HydrophobicContact SD-CD2 4.46Å; L150-R152 HydrophobicContact CD2-CG 4.22Å; L150-R152 HydrophobicContact CG-CG 4.23Å; L150-Y156 WeakPolarHBondContact O-CA 3.47Å; L150-D157 HydrophobicContact CB-CB 4.41Å; L150-D157 PolarHBondContact N-O 2.79Å; L150-D157 PolarHBondContact O-N 2.8Å; L150-L159 HydrophobicContact CB-CD1 3.96Å; L150-L159 HydrophobicContact CB-CD2 3.95Å; L150-L159 HydrophobicContact CB-CG 3.88Å
151Y91.7Very high89.8Confident62 Ų6283.5 Ų83.524%0.24343%0.434CS..EExtended strand (participates in β ladder)trans-92.5128167.5178.4-106.3000110.4E124 Y125 M126 G154 Y156E124-Y151 PolarHBondContact O-N 3.06Å; Y125-Y151 AromaticContact CD1-CD1 3.34Å; Y125-Y151 HydrophobicContact CD1-CD1 3.34Å; Y125-Y151 HydrophobicContact CD1-CE1 4.03Å; Y125-Y151 HydrophobicContact CD1-CG 4.15Å; Y125-Y151 AromaticContact CE1-CD1 3.43Å; Y125-Y151 HydrophobicContact CE1-CD1 3.43Å; Y125-Y151 VanDerWaalsContact CE1-CD1 3.43Å; Y125-Y151 AromaticContact CE1-CE1 3.95Å; Y125-Y151 HydrophobicContact CE1-CE1 3.95Å; Y125-Y151 HydrophobicContact CE1-CG 4.01Å; Y125-Y151 HydrophobicContact CG-CD1 4.23Å; M126-Y151 PolarHBondContact N-O 2.87Å; Y151-G154 PolarHBondContact OH-N 3.45Å; Y151-Y156 AromaticContact CD2-CD1 3.9Å; Y151-Y156 HydrophobicContact CD2-CD1 3.9Å; Y151-Y156 HydrophobicContact CD2-CD2 4.27Å; Y151-Y156 AromaticContact CD2-CE1 3.39Å; Y151-Y156 HydrophobicContact CD2-CE1 3.39Å; Y151-Y156 AromaticContact CD2-CE2 3.81Å; Y151-Y156 HydrophobicContact CD2-CE2 3.81Å; Y151-Y156 HydrophobicContact CD2-CG 4.32Å; Y151-Y156 AromaticContact CD2-CZ 3.33Å; Y151-Y156 HydrophobicContact CE2-CE1 4.3Å; Y151-Y156 HydrophobicContact CE2-CE2 4.02Å; Y151-Y156 AromaticContact CE2-CZ 3.79Å; Y151-Y156 AromaticContact CG-CE1 3.98Å; Y151-Y156 HydrophobicContact CG-CE1 3.98Å
152R88.8Confident89.4Confident97 Ų9785.1 Ų85.137%0.36646%0.458SS..EExtended strand (participates in β ladder)trans-120.3149.3165.7-57.3-175.9-77.6159.7-2.3106.1M126 L150 G154 H155 D157M126-R152 HydrophobicContact CB-CG 4.48Å; M126-R152 VanDerWaalsContact CE-CD 3.48Å; M126-R152 HydrophobicContact CE-CG 3.83Å; L150-R152 HydrophobicContact CD2-CG 4.22Å; L150-R152 HydrophobicContact CG-CG 4.23Å; R152-G154 PolarHBondContact O-N 3.16Å; R152-H155 PolarHBondContact N-O 2.6Å; R152-H155 PolarHBondContact NH2-CD2 3.49Å; R152-H155 PolarHBondContact O-N 3.46Å; R152-D157 IonicContact CZ-OD2 2.98Å; R152-D157 IonicContact NE-OD2 3.8Å; R152-D157 PolarHBondContact NE-OD2 3.37Å; R152-D157 IonicContact NH2-OD1 3.47Å; R152-D157 IonicContact NH2-OD2 3.68Å; R152-D157 PolarHBondContact NH2-OD2 2.89Å
153P85.2Confident90Very high106 Ų10685.9 Ų85.969%0.68845%0.445SS*.THydrogen-bonded Turntrans-47.6111.4-177.7-30.236000112.7
154G84.5Confident90.3Very high51 Ų5186.2 Ų86.253%0.52645%0.45SS..THydrogen-bonded Turntrans82.15-178.300000117.1Y151 R152Y151-G154 PolarHBondContact OH-N 3.45Å; R152-G154 PolarHBondContact O-N 3.16Å
155H90Very high90.3Very high88 Ų8885.9 Ų85.941%0.40744%0.442SS..EExtended strand (participates in β ladder)trans-147.7140.8-174.4-169.982.2000113.5R152 D157R152-H155 PolarHBondContact N-O 2.6Å; R152-H155 PolarHBondContact NH2-CD2 3.49Å; R152-H155 PolarHBondContact O-N 3.46Å; H155-D157 VanDerWaalsContact CD2-CG 3.49Å; H155-D157 IonicContact CD2-OD1 3.18Å; H155-D157 PolarHBondContact CD2-OD1 2.74Å; H155-D157 IonicContact CD2-OD2 2.69Å; H155-D157 PolarHBondContact CD2-OD2 2.9Å; H155-D157 IonicContact CE1-OD1 3.16Å; H155-D157 VanDerWaalsContact NE2-CG 3.34Å; H155-D157 IonicContact NE2-OD1 3.62Å; H155-D157 PolarHBondContact NE2-OD1 2.65Å; H155-D157 IonicContact NE2-OD2 2.65Å; H155-D157 PolarHBondContact NE2-OD2 3.29Å
156Y93.4Very high90.2Very high76 Ų7689.8 Ų89.830%0.29846%0.46SS..EExtended strand (participates in β ladder)trans-119.3132.4176.4-69.9-85.9000110.8I110 I123 L150 Y151I110-Y156 HydrophobicContact CD1-CE1 4.26Å; I110-Y156 VanDerWaalsContact CD1-OH 3.24Å; I110-Y156 WeakPolarHBondContact CD1-OH 3.44Å; I123-Y156 HydrophobicContact CD1-CE1 4Å; I123-Y156 HydrophobicContact CG2-CD1 4.49Å; I123-Y156 HydrophobicContact CG2-CE1 4.11Å; L150-Y156 WeakPolarHBondContact O-CA 3.47Å; Y151-Y156 AromaticContact CD2-CD1 3.9Å; Y151-Y156 HydrophobicContact CD2-CD1 3.9Å; Y151-Y156 HydrophobicContact CD2-CD2 4.27Å; Y151-Y156 AromaticContact CD2-CE1 3.39Å; Y151-Y156 HydrophobicContact CD2-CE1 3.39Å; Y151-Y156 AromaticContact CD2-CE2 3.81Å; Y151-Y156 HydrophobicContact CD2-CE2 3.81Å; Y151-Y156 HydrophobicContact CD2-CG 4.32Å; Y151-Y156 AromaticContact CD2-CZ 3.33Å; Y151-Y156 HydrophobicContact CE2-CE1 4.3Å; Y151-Y156 HydrophobicContact CE2-CE2 4.02Å; Y151-Y156 AromaticContact CE2-CZ 3.79Å; Y151-Y156 AromaticContact CG-CE1 3.98Å; Y151-Y156 HydrophobicContact CG-CE1 3.98Å
157D94.1Very high89.9Confident50 Ų5089.2 Ų89.227%0.26746%0.457SS..EExtended strand (participates in β ladder)trans-120151.6172-58.5-73.8000110.9F149 L150 R152 H155F149-D157 CarbonylContact C-O 3.3Å; F149-D157 WeakPolarHBondContact CA-O 3.29Å; L150-D157 HydrophobicContact CB-CB 4.41Å; L150-D157 PolarHBondContact N-O 2.79Å; L150-D157 PolarHBondContact O-N 2.8Å; R152-D157 IonicContact CZ-OD2 2.98Å; R152-D157 IonicContact NE-OD2 3.8Å; R152-D157 PolarHBondContact NE-OD2 3.37Å; R152-D157 IonicContact NH2-OD1 3.47Å; R152-D157 IonicContact NH2-OD2 3.68Å; R152-D157 PolarHBondContact NH2-OD2 2.89Å; H155-D157 VanDerWaalsContact CD2-CG 3.49Å; H155-D157 IonicContact CD2-OD1 3.18Å; H155-D157 PolarHBondContact CD2-OD1 2.74Å; H155-D157 IonicContact CD2-OD2 2.69Å; H155-D157 PolarHBondContact CD2-OD2 2.9Å; H155-D157 IonicContact CE1-OD1 3.16Å; H155-D157 VanDerWaalsContact NE2-CG 3.34Å; H155-D157 IonicContact NE2-OD1 3.62Å; H155-D157 PolarHBondContact NE2-OD1 2.65Å; H155-D157 IonicContact NE2-OD2 2.65Å; H155-D157 PolarHBondContact NE2-OD2 3.29Å
158I95Very high89.6Confident96 Ų9690.5 Ų90.549%0.49246%0.463SS..EExtended strand (participates in β ladder)trans-81.8130.3174.6-56.1172000108.9F149 Y160F149-I158 HydrophobicContact CD1-CG1 4.4Å; F149-I158 HydrophobicContact CE1-CG1 3.8Å; F149-I158 HydrophobicContact CZ-CG1 3.91Å; I158-Y160 HydrophobicContact CB-CE2 4.2Å; I158-Y160 HydrophobicContact CG2-CD2 4.34Å; I158-Y160 HydrophobicContact CG2-CE1 4.2Å; I158-Y160 HydrophobicContact CG2-CE2 3.69Å
159L94.1Very high89.2Confident54 Ų5492.3 Ų92.328%0.28348%0.478SS..  trans-99.1139.3172.3-66.9178.2000110.8E124 Y148 L150E124-L159 HydrophobicContact CB-CD1 4.11Å; E124-L159 HydrophobicContact CG-CD1 3.84Å; Y148-L159 PolarHBondContact O-N 3.13Å; L150-L159 HydrophobicContact CB-CD1 3.96Å; L150-L159 HydrophobicContact CB-CD2 3.95Å; L150-L159 HydrophobicContact CB-CG 3.88Å
160Y90.5Very high88.7Confident197 Ų19795.2 Ų95.277%0.77350%0.496SS*.  trans-120.9122.7171-60.1-86.6000108.5I158I158-Y160 HydrophobicContact CB-CE2 4.2Å; I158-Y160 HydrophobicContact CG2-CD2 4.34Å; I158-Y160 HydrophobicContact CG2-CE1 4.2Å; I158-Y160 HydrophobicContact CG2-CE2 3.69Å
161F82Confident88.3Confident133 Ų133100.1 Ų100.158%0.58352%0.522SS*.  trans-78.9132.1169.9-67.6-82000109.2Y148Y148-F161 HydrophobicContact CD1-CD2 4.18Å; Y148-F161 AromaticContact CD1-CE2 3.36Å; Y148-F161 HydrophobicContact CD1-CE2 3.36Å; Y148-F161 HydrophobicContact CD1-CZ 4.2Å; Y148-F161 AromaticContact CD2-CD2 3.84Å; Y148-F161 HydrophobicContact CD2-CD2 3.84Å; Y148-F161 AromaticContact CD2-CE2 3.82Å; Y148-F161 HydrophobicContact CD2-CE2 3.82Å; Y148-F161 HydrophobicContact CE1-CD2 4.3Å; Y148-F161 AromaticContact CE1-CE2 3.69Å; Y148-F161 HydrophobicContact CE1-CE2 3.69Å; Y148-F161 HydrophobicContact CE1-CZ 4.49Å; Y148-F161 AromaticContact CE2-CD2 4Å; Y148-F161 HydrophobicContact CE2-CD2 4Å; Y148-F161 HydrophobicContact CE2-CE2 4.14Å; Y148-F161 AromaticContact CG-CD2 3.92Å; Y148-F161 HydrophobicContact CG-CD2 3.92Å; Y148-F161 AromaticContact CG-CE2 3.4Å; Y148-F161 HydrophobicContact CG-CE2 3.4Å
162S71.1Confident88Confident191 Ų191103.5 Ų103.5100%1.33655%0.547SS*.  trans-75.80173.560.70000112.1

Retrieved 162 of 162 residues in 88.7 ms (Link to these results)

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