A0A3Q0KJ81_SCHMA Loading...

Transmembrane protein

AlphaFold DB , UniProt , Accession A0A3Q0KJ81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 186 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
1M57.1Low64.8Low216 Ų216129.5 Ų129.5100%1.06463%0.625SS**  0-39.60-137173.3-71.700111L3 C4 Q5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.26Å; M1-C4 PolarHBondContact O-N 3.14Å; M1-Q5 PolarHBondContact O-N 3.4Å
2E60.8Low65.9Low152 Ų152124.2 Ų124.271%0.7161%0.61SS**Hα-helixtrans-56-37.9177-63174.6163.400114.8C4 Q5 K6E2-C4 VanDerWaalsContact C-N 3.3Å; E2-C4 PolarHBondContact O-N 3.41Å; E2-Q5 PolarHBondContact O-N 3.3Å; E2-Q5 VanDerWaalsContact O-N 3.13Å; E2-K6 PolarHBondContact O-N 3.01Å
3L58.7Low66.7Low128 Ų128116.2 Ų116.267%0.6758%0.577SS**Hα-helixtrans-65.6-30.9-178.6-136127.9000113.2M1 R7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.26Å; L3-R7 WeakPolarHBondContact O-CG 3.22Å; L3-R7 PolarHBondContact O-N 2.94Å
4C62.6Low67.6Low98 Ų98110.6 Ų110.666%0.66256%0.558SS**Hα-helixtrans-74.8-36.2173.3-72.70000111.7M1 E2 Y8M1-C4 PolarHBondContact O-N 3.14Å; E2-C4 VanDerWaalsContact C-N 3.3Å; E2-C4 PolarHBondContact O-N 3.41Å; C4-Y8 PolarHBondContact O-N 3.4Å; C4-Y8 VanDerWaalsContact O-N 3.08Å
5Q61Low68.7Low116 Ų116110.1 Ų110.154%0.54256%0.555SS.*Hα-helixtrans-66.5-46.9179.2-173.6179.9-24.800111.5M1 E2 R7 Y8 E9M1-Q5 PolarHBondContact O-N 3.4Å; E2-Q5 PolarHBondContact O-N 3.3Å; E2-Q5 VanDerWaalsContact O-N 3.13Å; Q5-R7 VanDerWaalsContact C-N 3.33Å; Q5-R7 PolarHBondContact O-N 2.94Å; Q5-Y8 WeakPolarHBondContact O-CB 3.35Å; Q5-Y8 PolarHBondContact O-N 3.22Å; Q5-Y8 VanDerWaalsContact O-N 3.09Å; Q5-E9 PolarHBondContact NE2-OE1 3.19Å; Q5-E9 PolarHBondContact O-N 3.07Å
6K63.9Low69.9Low85 Ų85106.4 Ų106.437%0.3753%0.532SS..Hα-helixtrans-59.2-42.1176.9-70.5-170.5177.3-169.30112.6E2 Y8 E9 V10 D154E2-K6 PolarHBondContact O-N 3.01Å; K6-Y8 VanDerWaalsContact C-N 3.32Å; K6-Y8 PolarHBondContact O-N 2.62Å; K6-E9 PolarHBondContact O-N 3.5Å; K6-V10 WeakPolarHBondContact O-CG2 3.19Å; K6-V10 PolarHBondContact O-N 3.15Å; K6-V10 VanDerWaalsContact O-N 3.1Å; K6-D154 IonicContact NZ-OD1 2.6Å; K6-D154 PolarHBondContact NZ-OD1 2.91Å; K6-D154 IonicContact NZ-OD2 2.9Å; K6-D154 PolarHBondContact NZ-OD2 3.48Å
7R64.8Low71Confident173 Ų173100.6 Ų100.665%0.65350%0.503SS*.Hα-helixtrans-63.3-38.8175.8-74.3-175.8178.8-150.50.7112.2L3 Q5 I11L3-R7 WeakPolarHBondContact O-CG 3.22Å; L3-R7 PolarHBondContact O-N 2.94Å; Q5-R7 VanDerWaalsContact C-N 3.33Å; Q5-R7 PolarHBondContact O-N 2.94Å; R7-I11 WeakPolarHBondContact O-CB 3.36Å; R7-I11 WeakPolarHBondContact O-CD1 3.47Å; R7-I11 WeakPolarHBondContact O-CG1 3.35Å; R7-I11 PolarHBondContact O-N 3.03Å
8Y69.3Low72.1Confident168 Ų16899.4 Ų99.466%0.65950%0.498SS*.Hα-helixtrans-64.9-43.2177-178.5-96.5000111.9C4 Q5 K6 I11 S12C4-Y8 PolarHBondContact O-N 3.4Å; C4-Y8 VanDerWaalsContact O-N 3.08Å; Q5-Y8 WeakPolarHBondContact O-CB 3.35Å; Q5-Y8 PolarHBondContact O-N 3.22Å; Q5-Y8 VanDerWaalsContact O-N 3.09Å; K6-Y8 VanDerWaalsContact C-N 3.32Å; K6-Y8 PolarHBondContact O-N 2.62Å; Y8-I11 PolarHBondContact O-N 2.74Å; Y8-S12 VanDerWaalsContact O-CB 3.3Å; Y8-S12 WeakPolarHBondContact O-CB 3.47Å; Y8-S12 PolarHBondContact O-N 3.13Å
9E70.1Confident73.1Confident80 Ų8098.5 Ų98.537%0.37450%0.498SS..Hα-helixtrans-61.6-45.9177.5-71.6169.7-171.600111.6Q5 K6 I11 S12 A13Q5-E9 PolarHBondContact NE2-OE1 3.19Å; Q5-E9 PolarHBondContact O-N 3.07Å; K6-E9 PolarHBondContact O-N 3.5Å; E9-I11 PolarHBondContact O-N 3.22Å; E9-S12 PolarHBondContact O-N 2.75Å; E9-A13 PolarHBondContact O-N 2.89Å
10V70.7Confident74.1Confident102 Ų10294 Ų9462%0.61848%0.476SS*.Hα-helixtrans-63.3-43.5177.1175.10000111.9K6 S12 A13 A14K6-V10 WeakPolarHBondContact O-CG2 3.19Å; K6-V10 PolarHBondContact O-N 3.15Å; K6-V10 VanDerWaalsContact O-N 3.1Å; V10-S12 VanDerWaalsContact C-N 3.32Å; V10-S12 PolarHBondContact O-N 3.13Å; V10-A13 PolarHBondContact O-N 2.64Å; V10-A14 WeakPolarHBondContact O-CB 3.3Å; V10-A14 PolarHBondContact O-N 2.9Å
11I74Confident75Confident107 Ų10792.3 Ų92.355%0.54947%0.466SS..Hα-helixtrans-64.5-40.5176.9-68.5166000110.3R7 Y8 E9 A14 M15R7-I11 WeakPolarHBondContact O-CB 3.36Å; R7-I11 WeakPolarHBondContact O-CD1 3.47Å; R7-I11 WeakPolarHBondContact O-CG1 3.35Å; R7-I11 PolarHBondContact O-N 3.03Å; Y8-I11 PolarHBondContact O-N 2.74Å; E9-I11 PolarHBondContact O-N 3.22Å; I11-A14 PolarHBondContact O-N 2.65Å; I11-M15 HydrophobicContact CG2-CG 4.26Å; I11-M15 WeakPolarHBondContact O-CB 3.35Å; I11-M15 WeakPolarHBondContact O-CG 3.28Å; I11-M15 PolarHBondContact O-N 3.05Å
12S78Confident76.8Confident65 Ų6585 Ų8546%0.45544%0.436SS..Hα-helixtrans-63-45178-173.30000111.8Y8 E9 V10 M15 Y16Y8-S12 VanDerWaalsContact O-CB 3.3Å; Y8-S12 WeakPolarHBondContact O-CB 3.47Å; Y8-S12 PolarHBondContact O-N 3.13Å; E9-S12 PolarHBondContact O-N 2.75Å; V10-S12 VanDerWaalsContact C-N 3.32Å; V10-S12 PolarHBondContact O-N 3.13Å; S12-M15 PolarHBondContact O-N 2.91Å; S12-Y16 PolarHBondContact O-N 3.5Å
13A75.8Confident78.4Confident21 Ų2180.9 Ų80.917%0.17442%0.42CS..Hα-helixtrans-62.5-48.4176.300000111.2E9 V10 M15 Y16 H17E9-A13 PolarHBondContact O-N 2.89Å; V10-A13 PolarHBondContact O-N 2.64Å; A13-M15 VanDerWaalsContact C-N 3.32Å; A13-M15 PolarHBondContact O-N 3.01Å; A13-Y16 WeakPolarHBondContact O-CB 3.37Å; A13-Y16 PolarHBondContact O-N 2.76Å; A13-H17 PolarHBondContact O-CD2 3.38Å; A13-H17 PolarHBondContact O-N 3.36Å
14A79Confident80.1Confident38 Ų3874.8 Ų74.831%0.31439%0.389SS..Hα-helixtrans-58.9-42.3176.800000112.4V10 I11 Y16 H17 I18V10-A14 WeakPolarHBondContact O-CB 3.3Å; V10-A14 PolarHBondContact O-N 2.9Å; I11-A14 PolarHBondContact O-N 2.65Å; A14-Y16 VanDerWaalsContact C-N 3.33Å; A14-Y16 PolarHBondContact O-N 3.33Å; A14-H17 PolarHBondContact O-N 3.01Å; A14-I18 WeakPolarHBondContact O-CG1 3.4Å; A14-I18 PolarHBondContact O-N 3.18Å; A14-I18 VanDerWaalsContact O-N 3.11Å
15M85Confident81.7Confident103 Ų10372.5 Ų72.551%0.50737%0.369SS..Hα-helixtrans-63.5-37.9175.4-75.3-61.5-60.900112.1I11 S12 A13 I18 V19I11-M15 HydrophobicContact CG2-CG 4.26Å; I11-M15 WeakPolarHBondContact O-CB 3.35Å; I11-M15 WeakPolarHBondContact O-CG 3.28Å; I11-M15 PolarHBondContact O-N 3.05Å; S12-M15 PolarHBondContact O-N 2.91Å; A13-M15 VanDerWaalsContact C-N 3.32Å; A13-M15 PolarHBondContact O-N 3.01Å; M15-I18 PolarHBondContact O-N 2.98Å; M15-V19 WeakPolarHBondContact O-CB 3.38Å; M15-V19 VanDerWaalsContact O-CG2 3.24Å; M15-V19 WeakPolarHBondContact O-CG2 3.18Å; M15-V19 PolarHBondContact O-N 2.9Å
16Y87.6Confident83.4Confident50 Ų5070.4 Ų70.420%0.19637%0.366CS..Hα-helixtrans-59.9-49.4173.9164-105.4000111.5S12 A13 A14 I18 V19 A20 H136 L139 L140S12-Y16 PolarHBondContact O-N 3.5Å; A13-Y16 WeakPolarHBondContact O-CB 3.37Å; A13-Y16 PolarHBondContact O-N 2.76Å; A14-Y16 VanDerWaalsContact C-N 3.33Å; A14-Y16 PolarHBondContact O-N 3.33Å; Y16-I18 VanDerWaalsContact C-N 3.34Å; Y16-I18 PolarHBondContact O-N 3.48Å; Y16-V19 PolarHBondContact O-N 3.46Å; Y16-A20 HydrophobicContact CE2-CB 4.31Å; Y16-A20 WeakPolarHBondContact O-CB 3.39Å; Y16-A20 PolarHBondContact O-N 3Å; Y16-H136 AromaticContact CZ-CE1 3.82Å; Y16-H136 AromaticContact CZ-ND1 3.83Å; Y16-H136 PolarHBondContact OH-CE1 3.04Å; Y16-H136 PolarHBondContact OH-ND1 2.95Å; Y16-H136 PolarHBondContact OH-O 3.41Å; Y16-L139 HydrophobicContact CE2-CB 3.69Å; Y16-L139 HydrophobicContact CE2-CD1 3.79Å; Y16-L139 HydrophobicContact CE2-CG 4.34Å; Y16-L139 WeakPolarHBondContact OH-CB 3.41Å; Y16-L140 HydrophobicContact CE1-CD2 4.01Å; Y16-L140 PolarHBondContact OH-N 3.38Å
17H88.4Confident84.8Confident8 Ų866.9 Ų66.94%0.03735%0.353CS..Hα-helixtrans-59.9-41.7178.4-71.6-79.2000112.8A13 A14 F21 T72 G76 D143A13-H17 PolarHBondContact O-CD2 3.38Å; A13-H17 PolarHBondContact O-N 3.36Å; A14-H17 PolarHBondContact O-N 3.01Å; H17-F21 VanDerWaalsContact O-CB 3.31Å; H17-F21 WeakPolarHBondContact O-CB 3.29Å; H17-F21 PolarHBondContact O-N 2.87Å; H17-T72 HydrophobicContact CB-CG2 4.42Å; H17-T72 PolarHBondContact ND1-O 3.08Å; H17-G76 VanDerWaalsContact CD2-CA 3.46Å; H17-G76 WeakPolarHBondContact CD2-CA 3.31Å; H17-D143 IonicContact CE1-OD2 3.96Å; H17-D143 IonicContact NE2-OD2 3.32Å; H17-D143 PolarHBondContact NE2-OD2 2.98Å
18I90Very high86.3Confident79 Ų7958.7 Ų58.741%0.40532%0.322SS..Hα-helixtrans-66.1-46.9178.2-66.6167.2000111.1A14 M15 Y16 F21 C22A14-I18 WeakPolarHBondContact O-CG1 3.4Å; A14-I18 PolarHBondContact O-N 3.18Å; A14-I18 VanDerWaalsContact O-N 3.11Å; M15-I18 PolarHBondContact O-N 2.98Å; Y16-I18 VanDerWaalsContact C-N 3.34Å; Y16-I18 PolarHBondContact O-N 3.48Å; I18-F21 WeakPolarHBondContact O-CB 3.49Å; I18-F21 PolarHBondContact O-N 3.09Å; I18-C22 PolarHBondContact O-N 3.41Å; I18-C22 PolarHBondContact O-SG 3.03Å; I18-C22 VanDerWaalsContact O-SG 3.36Å
19V92.4Very high87.5Confident82 Ų8254.9 Ų54.950%0.49731%0.313SS..Hα-helixtrans-65-44179.5171.70000110.4M15 Y16 F21 C22 V23M15-V19 WeakPolarHBondContact O-CB 3.38Å; M15-V19 VanDerWaalsContact O-CG2 3.24Å; M15-V19 WeakPolarHBondContact O-CG2 3.18Å; M15-V19 PolarHBondContact O-N 2.9Å; Y16-V19 PolarHBondContact O-N 3.46Å; V19-F21 PolarHBondContact O-N 2.95Å; V19-C22 PolarHBondContact O-N 3.07Å; V19-V23 HydrophobicContact CG1-CG2 4.29Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.34Å; V19-V23 PolarHBondContact O-N 2.6Å
20A91.9Very high88.6Confident9 Ų955.3 Ų55.37%0.07432%0.317CS..Hα-helixtrans-60.7-43.9176.800000112Y16 C22 V23 L24 T72 H136Y16-A20 HydrophobicContact CE2-CB 4.31Å; Y16-A20 WeakPolarHBondContact O-CB 3.39Å; Y16-A20 PolarHBondContact O-N 3Å; A20-C22 PolarHBondContact O-N 3.4Å; A20-V23 PolarHBondContact O-N 3.21Å; A20-L24 WeakPolarHBondContact O-CB 3.42Å; A20-L24 VanDerWaalsContact O-CG 3.3Å; A20-L24 WeakPolarHBondContact O-CG 3.33Å; A20-L24 PolarHBondContact O-N 3.43Å; A20-T72 HydrophobicContact CB-CG2 3.94Å; A20-H136 WeakPolarHBondContact CB-CE1 3.35Å
21F93.3Very high89.7Confident58 Ų5850.5 Ų50.525%0.25429%0.287SS..Hα-helixtrans-54.4-51.5172.8168.8-97.6000111.5H17 I18 V19 V23 L24 M25 A69 L73H17-F21 VanDerWaalsContact O-CB 3.31Å; H17-F21 WeakPolarHBondContact O-CB 3.29Å; H17-F21 PolarHBondContact O-N 2.87Å; I18-F21 WeakPolarHBondContact O-CB 3.49Å; I18-F21 PolarHBondContact O-N 3.09Å; V19-F21 PolarHBondContact O-N 2.95Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 3.28Å; F21-L24 PolarHBondContact O-N 2.94Å; F21-M25 HydrophobicContact CD2-CG 4.11Å; F21-M25 HydrophobicContact CE1-CG 4.13Å; F21-M25 HydrophobicContact CE2-CG 3.7Å; F21-M25 HydrophobicContact CE2-SD 4.26Å; F21-M25 HydrophobicContact CG-CG 4.5Å; F21-M25 HydrophobicContact CZ-CG 3.71Å; F21-M25 HydrophobicContact CZ-SD 4.49Å; F21-M25 WeakPolarHBondContact O-CB 3.46Å; F21-M25 VanDerWaalsContact O-CG 3.3Å; F21-M25 WeakPolarHBondContact O-CG 3.47Å; F21-M25 PolarHBondContact O-N 3.21Å; F21-A69 HydrophobicContact CD2-CB 3.77Å; F21-A69 WeakPolarHBondContact CD2-O 3.32Å; F21-A69 HydrophobicContact CE2-CB 4.18Å; F21-L73 HydrophobicContact CB-CB 4.3Å; F21-L73 HydrophobicContact CD1-CD2 4.47Å; F21-L73 HydrophobicContact CD2-CB 3.85Å; F21-L73 HydrophobicContact CD2-CD2 3.95Å; F21-L73 HydrophobicContact CD2-CG 4.43Å; F21-L73 HydrophobicContact CE1-CD2 4.48Å; F21-L73 HydrophobicContact CE2-CD2 3.95Å; F21-L73 HydrophobicContact CG-CB 4.21Å; F21-L73 HydrophobicContact CG-CD2 4.22Å; F21-L73 HydrophobicContact CZ-CD2 4.22Å
22C95.3Very high90.7Very high63 Ų6347.9 Ų47.943%0.42627%0.274SS..Hα-helixtrans-59.8-44.1179.1-710000112.1I18 V19 A20 M25 C26I18-C22 PolarHBondContact O-N 3.41Å; I18-C22 PolarHBondContact O-SG 3.03Å; I18-C22 VanDerWaalsContact O-SG 3.36Å; V19-C22 PolarHBondContact O-N 3.07Å; A20-C22 PolarHBondContact O-N 3.4Å; C22-M25 PolarHBondContact O-N 2.85Å; C22-C26 WeakPolarHBondContact O-CB 3.36Å; C22-C26 PolarHBondContact O-N 3.2Å; C22-C26 PolarHBondContact O-SG 3.49Å
23V94.8Very high91.5Very high65 Ų6549.7 Ų49.739%0.39428%0.278SS..Hα-helixtrans-64.1-46.1179.9169.50000111.4V19 A20 F21 C26 A27 L132V19-V23 HydrophobicContact CG1-CG2 4.29Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.34Å; V19-V23 PolarHBondContact O-N 2.6Å; A20-V23 PolarHBondContact O-N 3.21Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 3.28Å; V23-C26 PolarHBondContact O-N 2.82Å; V23-A27 WeakPolarHBondContact O-CB 3.4Å; V23-A27 PolarHBondContact O-N 2.81Å; V23-L132 HydrophobicContact CG1-CD1 3.73Å; V23-L132 HydrophobicContact CG1-CD2 4.35Å; V23-L132 HydrophobicContact CG1-CG 4.42Å
24L94.9Very high92.3Very high1 Ų150.7 Ų50.71%0.00528%0.279CS..Hα-helixtrans-65.9-40.6178.7-70170.7000111.9A20 F21 A27 S28 L65 T68 A69 L132A20-L24 WeakPolarHBondContact O-CB 3.42Å; A20-L24 VanDerWaalsContact O-CG 3.3Å; A20-L24 WeakPolarHBondContact O-CG 3.33Å; A20-L24 PolarHBondContact O-N 3.43Å; F21-L24 PolarHBondContact O-N 2.94Å; L24-A27 PolarHBondContact O-N 3.43Å; L24-S28 WeakPolarHBondContact O-CB 3.46Å; L24-S28 PolarHBondContact O-N 3.08Å; L24-L65 HydrophobicContact CD2-CD2 3.96Å; L24-T68 HydrophobicContact CD1-CG2 3.97Å; L24-A69 HydrophobicContact CB-CB 3.76Å; L24-A69 HydrophobicContact CD1-CB 4.26Å; L24-L132 HydrophobicContact CD2-CD2 3.64Å
25M95.9Very high92.9Very high50 Ų5048.9 Ų48.925%0.24626%0.264CS..Hα-helixtrans-63.5-43.5174.6-74.5-58.4-61.500111.7F21 C22 S28 L29 I66 A69F21-M25 HydrophobicContact CD2-CG 4.11Å; F21-M25 HydrophobicContact CE1-CG 4.13Å; F21-M25 HydrophobicContact CE2-CG 3.7Å; F21-M25 HydrophobicContact CE2-SD 4.26Å; F21-M25 HydrophobicContact CG-CG 4.5Å; F21-M25 HydrophobicContact CZ-CG 3.71Å; F21-M25 HydrophobicContact CZ-SD 4.49Å; F21-M25 WeakPolarHBondContact O-CB 3.46Å; F21-M25 VanDerWaalsContact O-CG 3.3Å; F21-M25 WeakPolarHBondContact O-CG 3.47Å; F21-M25 PolarHBondContact O-N 3.21Å; C22-M25 PolarHBondContact O-N 2.85Å; M25-S28 PolarHBondContact O-N 3.37Å; M25-L29 VanDerWaalsContact O-CG 3.32Å; M25-L29 WeakPolarHBondContact O-CG 3.48Å; M25-L29 PolarHBondContact O-N 3.37Å; M25-I66 HydrophobicContact CE-CG1 4.42Å; M25-I66 HydrophobicContact SD-CB 4.46Å; M25-I66 HydrophobicContact SD-CG1 4.1Å; M25-I66 HydrophobicContact SD-CG2 4.31Å; M25-A69 HydrophobicContact CG-CB 3.97Å; M25-A69 HydrophobicContact SD-CB 3.97Å
26C95.3Very high93.3Very high72 Ų7246.3 Ų46.349%0.48626%0.255SS..Hα-helixtrans-60.9-45.1174.4-75.60000111.9C22 V23 S28 L29 I30C22-C26 WeakPolarHBondContact O-CB 3.36Å; C22-C26 PolarHBondContact O-N 3.2Å; C22-C26 PolarHBondContact O-SG 3.49Å; V23-C26 PolarHBondContact O-N 2.82Å; C26-S28 VanDerWaalsContact C-N 3.33Å; C26-S28 PolarHBondContact O-N 2.98Å; C26-L29 PolarHBondContact O-N 2.89Å; C26-I30 VanDerWaalsContact O-CG1 3.25Å; C26-I30 WeakPolarHBondContact O-CG1 3.44Å; C26-I30 PolarHBondContact O-N 3.37Å
27A94.8Very high93.6Very high11 Ų1146.8 Ų46.89%0.09126%0.263CS..Hα-helixtrans-61-42176.800000112V23 L24 I30 L31 L65V23-A27 WeakPolarHBondContact O-CB 3.4Å; V23-A27 PolarHBondContact O-N 2.81Å; L24-A27 PolarHBondContact O-N 3.43Å; A27-I30 PolarHBondContact O-N 3.47Å; A27-L31 PolarHBondContact O-N 3.32Å; A27-L31 VanDerWaalsContact O-N 3.08Å; A27-L65 HydrophobicContact CB-CD1 4.17Å
28S94.9Very high93.8Very high0 Ų047.4 Ų47.40%027%0.265CS..Hα-helixtrans-62.1-46.8175-179.40000112.3L24 M25 C26 I30 L31 I32 A62 I66L24-S28 WeakPolarHBondContact O-CB 3.46Å; L24-S28 PolarHBondContact O-N 3.08Å; M25-S28 PolarHBondContact O-N 3.37Å; C26-S28 VanDerWaalsContact C-N 3.33Å; C26-S28 PolarHBondContact O-N 2.98Å; S28-I30 VanDerWaalsContact C-N 3.33Å; S28-I30 PolarHBondContact O-N 3.49Å; S28-L31 WeakPolarHBondContact O-CB 3.47Å; S28-L31 PolarHBondContact O-N 3.32Å; S28-I32 WeakPolarHBondContact O-CG1 3.48Å; S28-I32 PolarHBondContact O-N 3.26Å; S28-A62 PolarHBondContact OG-O 3.33Å; S28-I66 WeakPolarHBondContact OG-CD1 3.33Å; S28-I66 VanDerWaalsContact OG-CG1 3.25Å; S28-I66 WeakPolarHBondContact OG-CG1 3.16Å
29L95.3Very high93.9Very high89 Ų8944.8 Ų44.847%0.46625%0.254SS..Hα-helixtrans-62-40.8177.6-71.2173.5000112M25 C26 L31 I32 I33M25-L29 VanDerWaalsContact O-CG 3.32Å; M25-L29 WeakPolarHBondContact O-CG 3.48Å; M25-L29 PolarHBondContact O-N 3.37Å; C26-L29 PolarHBondContact O-N 2.89Å; L29-L31 VanDerWaalsContact C-N 3.35Å; L29-L31 PolarHBondContact O-N 3.3Å; L29-I32 PolarHBondContact O-N 2.82Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 2.91Å; L29-I33 PolarHBondContact O-N 3.1Å
30I93.8Very high93.8Very high89 Ų8948.1 Ų48.146%0.45626%0.259SS..Hα-helixtrans-59.3-46.6175.6-71165.2000110.5C26 A27 S28 I32 I33 I34C26-I30 VanDerWaalsContact O-CG1 3.25Å; C26-I30 WeakPolarHBondContact O-CG1 3.44Å; C26-I30 PolarHBondContact O-N 3.37Å; A27-I30 PolarHBondContact O-N 3.47Å; S28-I30 VanDerWaalsContact C-N 3.33Å; S28-I30 PolarHBondContact O-N 3.49Å; I30-I32 PolarHBondContact O-N 3.36Å; I30-I33 PolarHBondContact O-N 3.36Å; I30-I34 HydrophobicContact CG2-CD1 3.58Å; I30-I34 HydrophobicContact CG2-CG1 4.36Å; I30-I34 WeakPolarHBondContact O-CB 3.33Å; I30-I34 VanDerWaalsContact O-CG1 3.3Å; I30-I34 WeakPolarHBondContact O-CG1 3.43Å; I30-I34 PolarHBondContact O-N 2.92Å
31L93.2Very high93.9Very high0 Ų052.3 Ų52.30%029%0.286CS..Hα-helixtrans-58.5-47.1175.6-79.2177.2000112A27 S28 L29 I33 Q35 A61 A62 L65 M122 I125 I129A27-L31 PolarHBondContact O-N 3.32Å; A27-L31 VanDerWaalsContact O-N 3.08Å; S28-L31 WeakPolarHBondContact O-CB 3.47Å; S28-L31 PolarHBondContact O-N 3.32Å; L29-L31 VanDerWaalsContact C-N 3.35Å; L29-L31 PolarHBondContact O-N 3.3Å; L31-I33 PolarHBondContact O-N 3.46Å; L31-Q35 WeakPolarHBondContact O-CB 3.34Å; L31-Q35 PolarHBondContact O-N 3.46Å; L31-A61 HydrophobicContact CD1-CB 4.1Å; L31-A62 HydrophobicContact CB-CB 3.97Å; L31-A62 HydrophobicContact CD1-CB 4.22Å; L31-L65 HydrophobicContact CD1-CD1 3.84Å; L31-M122 HydrophobicContact CD2-CE 3.66Å; L31-M122 HydrophobicContact CD2-SD 3.97Å; L31-I125 HydrophobicContact CD2-CG2 3.7Å; L31-I129 HydrophobicContact CD1-CD1 3.4Å; L31-I129 HydrophobicContact CD2-CD1 3.61Å; L31-I129 HydrophobicContact CG-CD1 3.35Å
32I94.4Very high93.8Very high52 Ų5251.1 Ų51.127%0.26728%0.284SS..Hα-helixtrans-61.1-46.4-180-69.6167.1000110.6S28 L29 I30 T36 Y59 A62 I66S28-I32 WeakPolarHBondContact O-CG1 3.48Å; S28-I32 PolarHBondContact O-N 3.26Å; L29-I32 PolarHBondContact O-N 2.82Å; I30-I32 PolarHBondContact O-N 3.36Å; I32-T36 VanDerWaalsContact O-CB 3.24Å; I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 PolarHBondContact O-N 3.47Å; I32-T36 PolarHBondContact O-OG1 3.33Å; I32-Y59 HydrophobicContact CG1-CD1 4.41Å; I32-Y59 HydrophobicContact CG2-CE1 4.3Å; I32-A62 HydrophobicContact CD1-CB 4.12Å; I32-A62 HydrophobicContact CG1-CB 3.65Å; I32-I66 HydrophobicContact CD1-CD1 4.46Å
33I94.9Very high93.5Very high104 Ų10452 Ų5253%0.53329%0.29SS..Hα-helixtrans-64.1-51.7-178.7-69.4165.3000110.1L29 I30 L31 Q35 T36 V37L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 2.91Å; L29-I33 PolarHBondContact O-N 3.1Å; I30-I33 PolarHBondContact O-N 3.36Å; L31-I33 PolarHBondContact O-N 3.46Å; I33-Q35 VanDerWaalsContact C-N 3.33Å; I33-Q35 PolarHBondContact O-N 3.38Å; I33-T36 PolarHBondContact O-N 3.46Å; I33-T36 VanDerWaalsContact O-N 3.17Å; I33-V37 HydrophobicContact CG2-CG2 4.41Å; I33-V37 WeakPolarHBondContact O-CG2 3.46Å; I33-V37 PolarHBondContact O-N 3.25Å
34I92.8Very high93.1Very high41 Ų4152.7 Ų52.721%0.2130%0.303CS..Hα-helixtrans-61.3-44.8-178.4-69.1175000110.4I30 T36 V37 F38 I125I30-I34 HydrophobicContact CG2-CD1 3.58Å; I30-I34 HydrophobicContact CG2-CG1 4.36Å; I30-I34 WeakPolarHBondContact O-CB 3.33Å; I30-I34 VanDerWaalsContact O-CG1 3.3Å; I30-I34 WeakPolarHBondContact O-CG1 3.43Å; I30-I34 PolarHBondContact O-N 2.92Å; I34-T36 VanDerWaalsContact C-N 3.32Å; I34-T36 PolarHBondContact O-N 3Å; I34-V37 PolarHBondContact O-N 3.13Å; I34-F38 HydrophobicContact CG2-CD2 3.79Å; I34-F38 HydrophobicContact CG2-CE2 3.47Å; I34-F38 VanDerWaalsContact CG2-CE2 3.47Å; I34-F38 HydrophobicContact CG2-CG 4.5Å; I34-F38 HydrophobicContact CG2-CZ 3.92Å; I34-F38 WeakPolarHBondContact O-CG 3.37Å; I34-F38 PolarHBondContact O-N 3.02Å; I34-I125 HydrophobicContact CD1-CD1 3.47Å; I34-I125 VanDerWaalsContact CD1-CD1 3.47Å; I34-I125 HydrophobicContact CG2-CD1 4.11Å
35Q91.9Very high92.7Very high0 Ų061.4 Ų61.40%034%0.344CS..Hα-helixtrans-60.3-43.5176.7-177.259.927.300112L31 I33 F38 S39 W50 A58 Y59L31-Q35 WeakPolarHBondContact O-CB 3.34Å; L31-Q35 PolarHBondContact O-N 3.46Å; I33-Q35 VanDerWaalsContact C-N 3.33Å; I33-Q35 PolarHBondContact O-N 3.38Å; Q35-F38 PolarHBondContact O-N 2.89Å; Q35-S39 PolarHBondContact NE2-OG 3.48Å; Q35-S39 WeakPolarHBondContact O-CB 3.35Å; Q35-S39 PolarHBondContact O-N 3.23Å; Q35-S39 PolarHBondContact O-OG 3.17Å; Q35-W50 VanDerWaalsContact NE2-CG 3.29Å; Q35-W50 VanDerWaalsContact NE2-NE1 3.12Å; Q35-A58 HydrophobicContact CB-CB 3.98Å; Q35-A58 HydrophobicContact CG-CB 3.44Å; Q35-A58 VanDerWaalsContact CG-CB 3.44Å; Q35-Y59 HydrophobicContact CB-CE1 4.37Å; Q35-Y59 HydrophobicContact CG-CD2 4.2Å; Q35-Y59 HydrophobicContact CG-CE1 4.13Å; Q35-Y59 HydrophobicContact CG-CE2 3.7Å
36T93.4Very high92.4Very high50 Ų5061.1 Ų61.131%0.30735%0.346SS..Hα-helixtrans-65-42.2179.8-59.20000110.8I32 I33 I34 S39 Y40 Y59I32-T36 VanDerWaalsContact O-CB 3.24Å; I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 PolarHBondContact O-N 3.47Å; I32-T36 PolarHBondContact O-OG1 3.33Å; I33-T36 PolarHBondContact O-N 3.46Å; I33-T36 VanDerWaalsContact O-N 3.17Å; I34-T36 VanDerWaalsContact C-N 3.32Å; I34-T36 PolarHBondContact O-N 3Å; T36-S39 PolarHBondContact O-N 3.06Å; T36-Y40 HydrophobicContact CG2-CD2 4.09Å; T36-Y40 WeakPolarHBondContact O-CB 3.41Å; T36-Y40 PolarHBondContact O-N 3.45Å; T36-Y59 PolarHBondContact OG1-OH 3.32Å; T36-Y59 VanDerWaalsContact OG1-OH 3.06Å
37V94Very high92.2Very high60 Ų6061.2 Ų61.236%0.36434%0.342SS..Iπ-helixtrans-61.4-51.7176.2170.80000110.7I33 I34 S39 C41 V42I33-V37 HydrophobicContact CG2-CG2 4.41Å; I33-V37 WeakPolarHBondContact O-CG2 3.46Å; I33-V37 PolarHBondContact O-N 3.25Å; I34-V37 PolarHBondContact O-N 3.13Å; V37-S39 VanDerWaalsContact C-N 3.31Å; V37-S39 PolarHBondContact O-N 3.12Å; V37-C41 HydrophobicContact CG1-CB 4.33Å; V37-C41 WeakPolarHBondContact O-CA 3.48Å; V37-C41 WeakPolarHBondContact O-CB 3.31Å; V37-C41 PolarHBondContact O-N 3.31Å; V37-V42 HydrophobicContact CG1-CG2 4.33Å; V37-V42 WeakPolarHBondContact O-CG2 3.41Å; V37-V42 PolarHBondContact O-N 3.16Å
38F92.9Very high92.1Very high21 Ų2164 Ų649%0.09236%0.355CS..Iπ-helixtrans-66.4-31.1-179.7-66.7-18.6000113.3I34 Q35 L48 S49 W50 I121I34-F38 HydrophobicContact CG2-CD2 3.79Å; I34-F38 HydrophobicContact CG2-CE2 3.47Å; I34-F38 VanDerWaalsContact CG2-CE2 3.47Å; I34-F38 HydrophobicContact CG2-CG 4.5Å; I34-F38 HydrophobicContact CG2-CZ 3.92Å; I34-F38 WeakPolarHBondContact O-CG 3.37Å; I34-F38 PolarHBondContact O-N 3.02Å; Q35-F38 PolarHBondContact O-N 2.89Å; F38-L48 WeakPolarHBondContact CB-O 3.42Å; F38-L48 WeakPolarHBondContact CD1-O 3.31Å; F38-L48 HydrophobicContact CE1-CD2 4.22Å; F38-L48 WeakPolarHBondContact CG-O 3.48Å; F38-S49 CarbonylContact O-C 3.58Å; F38-S49 WeakPolarHBondContact O-CA 3.36Å; F38-W50 HydrophobicContact CB-CB 3.92Å; F38-W50 HydrophobicContact CD2-CE3 4.46Å; F38-W50 PolarHBondContact O-N 3.34Å; F38-I121 HydrophobicContact CE2-CB 4.2Å; F38-I121 HydrophobicContact CE2-CG2 3.94Å; F38-I121 HydrophobicContact CZ-CB 4.26Å; F38-I121 HydrophobicContact CZ-CD1 3.93Å; F38-I121 HydrophobicContact CZ-CG2 3.9Å
39S91.8Very high91.9Very high23 Ų2364.1 Ų64.116%0.16136%0.356CS..Iπ-helixtrans-83.4-36.8-177.7-55.70000113.5Q35 T36 V37Q35-S39 PolarHBondContact NE2-OG 3.48Å; Q35-S39 WeakPolarHBondContact O-CB 3.35Å; Q35-S39 PolarHBondContact O-N 3.23Å; Q35-S39 PolarHBondContact O-OG 3.17Å; T36-S39 PolarHBondContact O-N 3.06Å; V37-S39 VanDerWaalsContact C-N 3.31Å; V37-S39 PolarHBondContact O-N 3.12Å
40Y91.4Very high91.7Very high153 Ų15360.5 Ų60.560%0.634%0.336SS*.Iπ-helixtrans-126.2-25.6-166.3-58.6-70.2000114.8T36T36-Y40 HydrophobicContact CG2-CD2 4.09Å; T36-Y40 WeakPolarHBondContact O-CB 3.41Å; T36-Y40 PolarHBondContact O-N 3.45Å
41C92.3Very high91.4Very high96 Ų9657 Ų5765%0.64932%0.319SS*.Iπ-helixtrans-95.1-11.3-177.8-56.40000113.1V37V37-C41 HydrophobicContact CG1-CB 4.33Å; V37-C41 WeakPolarHBondContact O-CA 3.48Å; V37-C41 WeakPolarHBondContact O-CB 3.31Å; V37-C41 PolarHBondContact O-N 3.31Å
42V91.6Very high91.1Very high34 Ų3461.7 Ų61.721%0.20635%0.352CS..SBendtrans-110134.5-178.8175.50000109.5V37 S46 L48V37-V42 HydrophobicContact CG1-CG2 4.33Å; V37-V42 WeakPolarHBondContact O-CG2 3.41Å; V37-V42 PolarHBondContact O-N 3.16Å; V42-S46 WeakPolarHBondContact CG1-OG 3.3Å; V42-L48 HydrophobicContact CG1-CB 3.99Å; V42-L48 HydrophobicContact CG2-CB 4.47Å
43S89.7Confident90.6Very high80 Ų8065.3 Ų65.356%0.55938%0.376SS*.  trans-58.9140175.1178.20000111.1E45 S46 S49S43-E45 PolarHBondContact O-N 3.43Å; S43-S46 WeakPolarHBondContact O-CB 3.37Å; S43-S46 PolarHBondContact O-N 3.15Å; S43-S49 WeakPolarHBondContact O-CB 3.2Å
44A85.6Confident90.2Very high80 Ų8061.6 Ų61.666%0.66136%0.358SS*.THydrogen-bonded Turntrans-60-21.8-176.600000114.4S46 S49 K116A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S49 PolarHBondContact O-OG 3.26Å; A44-K116 PolarHBondContact O-NZ 3.03Å
45E86.2Confident89.9Confident185 Ų18561.2 Ų61.286%0.86436%0.355SS*.THydrogen-bonded Turntrans-79.1-18.2176.2-62.8180174.100112.9S43S43-E45 PolarHBondContact O-N 3.43Å
46S90.6Very high89.6Confident43 Ų4364.7 Ų64.730%0.30138%0.378SS..SBendtrans-71143.5179-179.70000110.9V42 S43 A44 L48 S49V42-S46 WeakPolarHBondContact CG1-OG 3.3Å; S43-S46 WeakPolarHBondContact O-CB 3.37Å; S43-S46 PolarHBondContact O-N 3.15Å; A44-S46 VanDerWaalsContact C-N 3.34Å; S46-L48 PolarHBondContact O-N 3.39Å; S46-L48 VanDerWaalsContact O-N 3.16Å; S46-L48 PolarHBondContact OG-N 2.87Å; S46-S49 WeakPolarHBondContact O-CB 3.34Å; S46-S49 PolarHBondContact O-N 3.41Å; S46-S49 PolarHBondContact O-OG 3.49Å
47D91.2Very high89.1Confident75 Ų7567.4 Ų67.440%0.40139%0.386SS..THydrogen-bonded Turntrans-58.3-22.3170.3-175.140.3000113K116 S117 S118D47-K116 CarbonylContact O-C 3.54Å; D47-K116 WeakPolarHBondContact O-CB 3.41Å; D47-K116 VanDerWaalsContact OD1-CA 3.24Å; D47-K116 WeakPolarHBondContact OD1-CA 3.35Å; D47-S117 PolarHBondContact O-N 2.89Å; D47-S117 VanDerWaalsContact O-N 3.08Å; D47-S117 PolarHBondContact OD1-N 3.32Å; D47-S117 WeakPolarHBondContact OD2-CB 3.5Å; D47-S117 PolarHBondContact OD2-OG 3.14Å; D47-S118 PolarHBondContact O-N 3.22Å
48L92.2Very high88.3Confident68 Ų6864.6 Ų64.636%0.35637%0.369SS..THydrogen-bonded Turntrans-88.2-2.6176.4-69.3173000114.2F38 V42 S46 S118 I121F38-L48 WeakPolarHBondContact CB-O 3.42Å; F38-L48 WeakPolarHBondContact CD1-O 3.31Å; F38-L48 HydrophobicContact CE1-CD2 4.22Å; F38-L48 WeakPolarHBondContact CG-O 3.48Å; V42-L48 HydrophobicContact CG1-CB 3.99Å; V42-L48 HydrophobicContact CG2-CB 4.47Å; S46-L48 PolarHBondContact O-N 3.39Å; S46-L48 VanDerWaalsContact O-N 3.16Å; S46-L48 PolarHBondContact OG-N 2.87Å; L48-S118 VanDerWaalsContact O-CB 3.31Å; L48-S118 WeakPolarHBondContact O-CB 3.21Å; L48-I121 HydrophobicContact CD2-CD1 3.79Å
49S91.9Very high88.2Confident4 Ų466.8 Ų66.83%0.02838%0.377CS..PPolyproline II helixtrans-73.2142.7179.758.30000111.5F38 S43 A44 S46 K116 S118F38-S49 CarbonylContact O-C 3.58Å; F38-S49 WeakPolarHBondContact O-CA 3.36Å; S43-S49 WeakPolarHBondContact O-CB 3.2Å; A44-S49 PolarHBondContact O-OG 3.26Å; S46-S49 WeakPolarHBondContact O-CB 3.34Å; S46-S49 PolarHBondContact O-N 3.41Å; S46-S49 PolarHBondContact O-OG 3.49Å; S49-K116 WeakPolarHBondContact O-CD 3.3Å; S49-K116 PolarHBondContact OG-NZ 3.4Å; S49-S118 PolarHBondContact O-OG 3.01Å
50W90.7Very high88.2Confident12 Ų1269.7 Ų69.75%0.04539%0.39CS..PPolyproline II helixtrans-83.4137.4176.2-165.4-104.1000111Q35 F38 S52 L54 T105 M119 M122Q35-W50 VanDerWaalsContact NE2-CG 3.29Å; Q35-W50 VanDerWaalsContact NE2-NE1 3.12Å; F38-W50 HydrophobicContact CB-CB 3.92Å; F38-W50 HydrophobicContact CD2-CE3 4.46Å; F38-W50 PolarHBondContact O-N 3.34Å; W50-S52 PolarHBondContact O-N 3.24Å; W50-L54 HydrophobicContact CZ2-CB 4.02Å; W50-L54 PolarHBondContact NE1-O 3.16Å; W50-T105 HydrophobicContact CH2-CG2 3.89Å; W50-M119 HydrophobicContact CE3-SD 4.25Å; W50-M119 HydrophobicContact CH2-SD 3.7Å; W50-M119 HydrophobicContact CZ2-SD 4.27Å; W50-M119 HydrophobicContact CZ3-SD 3.7Å; W50-M122 HydrophobicContact CH2-CB 3.57Å; W50-M122 HydrophobicContact CH2-CG 3.48Å; W50-M122 VanDerWaalsContact CH2-CG 3.48Å; W50-M122 HydrophobicContact CZ2-CG 4.32Å; W50-M122 HydrophobicContact CZ3-CB 3.41Å; W50-M122 VanDerWaalsContact CZ3-CB 3.41Å; W50-M122 HydrophobicContact CZ3-CG 3.76Å
51P87.3Confident88.3Confident16 Ų1662.4 Ų62.410%0.10436%0.361CS..PPolyproline II helixtrans-62.9126.2174.3-2235000111.5V53 L54 L114 M119P51-V53 PolarHBondContact O-N 3.24Å; P51-V53 VanDerWaalsContact O-N 3.14Å; P51-L54 HydrophobicContact CB-CB 4.38Å; P51-L54 HydrophobicContact CB-CD1 4.1Å; P51-L54 HydrophobicContact CB-CG 4.25Å; P51-L54 HydrophobicContact CG-CD1 4.07Å; P51-L54 PolarHBondContact O-N 2.91Å; P51-L114 HydrophobicContact CB-CD2 3.67Å; P51-L114 HydrophobicContact CG-CD2 3.28Å; P51-M119 HydrophobicContact CG-SD 3.93Å
52S85.6Confident88.3Confident98 Ų9857.9 Ų57.969%0.68533%0.331SS*.G310 helixtrans-58.7-33.1-173.1-50.30000113.9W50 L54 I55W50-S52 PolarHBondContact O-N 3.24Å; S52-L54 PolarHBondContact O-N 3.1Å; S52-I55 WeakPolarHBondContact O-CG1 3.42Å; S52-I55 PolarHBondContact O-N 2.97Å
53V84.8Confident88.5Confident128 Ų12862 Ų6278%0.77635%0.346SS*.G310 helixtrans-66.1-25.1177.4-1780000112P51P51-V53 PolarHBondContact O-N 3.24Å; P51-V53 VanDerWaalsContact O-N 3.14Å
54L87Confident88.7Confident27 Ų2759.7 Ų59.714%0.14133%0.328CS..G310 helixtrans-97-0.7-176.1-63.7179000113.5W50 P51 S52 P56 F57 M119W50-L54 HydrophobicContact CZ2-CB 4.02Å; W50-L54 PolarHBondContact NE1-O 3.16Å; P51-L54 HydrophobicContact CB-CB 4.38Å; P51-L54 HydrophobicContact CB-CD1 4.1Å; P51-L54 HydrophobicContact CB-CG 4.25Å; P51-L54 HydrophobicContact CG-CD1 4.07Å; P51-L54 PolarHBondContact O-N 2.91Å; S52-L54 PolarHBondContact O-N 3.1Å; L54-P56 VanDerWaalsContact C-CD 3.46Å; L54-P56 VanDerWaalsContact C-N 3.35Å; L54-F57 HydrophobicContact CB-CD2 4.39Å; L54-F57 HydrophobicContact CD2-CD2 3.79Å; L54-F57 HydrophobicContact CD2-CE2 3.82Å; L54-F57 PolarHBondContact O-N 2.83Å; L54-M119 HydrophobicContact CD1-CE 3.53Å; L54-M119 HydrophobicContact CD1-SD 3.85Å
55I86.1Confident89.1Confident32 Ų3255.9 Ų55.916%0.16430%0.296CS..Hα-helixtrans-52.2-45.8-177.4-67.8172.4000112.4S52 F57 Y59S52-I55 WeakPolarHBondContact O-CG1 3.42Å; S52-I55 PolarHBondContact O-N 2.97Å; I55-F57 VanDerWaalsContact C-N 3.32Å; I55-F57 PolarHBondContact O-N 3.27Å; I55-Y59 HydrophobicContact CG2-CD2 4.04Å; I55-Y59 HydrophobicContact CG2-CE2 3.64Å; I55-Y59 VanDerWaalsContact O-CD2 3.28Å; I55-Y59 WeakPolarHBondContact O-CD2 3.21Å
56P86.5Confident89.6Confident74 Ų7450 Ų5048%0.48127%0.27SS..Hα-helixtrans-63.4-33.6-177-2435.4000114.2L54 A58 Y59 I60L54-P56 VanDerWaalsContact C-CD 3.46Å; L54-P56 VanDerWaalsContact C-N 3.35Å; P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 2.97Å; P56-Y59 PolarHBondContact O-N 3.19Å; P56-Y59 VanDerWaalsContact O-N 3.16Å; P56-I60 VanDerWaalsContact O-CG1 3.31Å; P56-I60 WeakPolarHBondContact O-CG1 3.48Å; P56-I60 PolarHBondContact O-N 2.7Å
57F82.5Confident89.7Confident106 Ų10652.3 Ų52.347%0.46528%0.278SS..Hα-helixtrans-59-40.9-172.7-74.5-87.2000112.5L54 I55 I60 A61 I101L54-F57 HydrophobicContact CB-CD2 4.39Å; L54-F57 HydrophobicContact CD2-CD2 3.79Å; L54-F57 HydrophobicContact CD2-CE2 3.82Å; L54-F57 PolarHBondContact O-N 2.83Å; I55-F57 VanDerWaalsContact C-N 3.32Å; I55-F57 PolarHBondContact O-N 3.27Å; F57-I60 PolarHBondContact O-N 3.06Å; F57-A61 PolarHBondContact O-N 2.85Å; F57-I101 HydrophobicContact CB-CD1 4.42Å; F57-I101 HydrophobicContact CB-CG1 4.5Å; F57-I101 WeakPolarHBondContact O-CD1 3.37Å
58A76.2Confident89.9Confident1 Ų148.8 Ų48.81%0.00826%0.259CS..Hα-helixtrans-67.2-41.417900000113.2Q35 P56 I60 A61 A62 M122Q35-A58 HydrophobicContact CB-CB 3.98Å; Q35-A58 HydrophobicContact CG-CB 3.44Å; Q35-A58 VanDerWaalsContact CG-CB 3.44Å; P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 2.97Å; A58-I60 VanDerWaalsContact C-N 3.33Å; A58-A61 PolarHBondContact O-N 3.33Å; A58-A62 PolarHBondContact O-N 2.94Å; A58-M122 HydrophobicContact CB-CE 3.3Å
59Y91.3Very high89.9Confident68 Ų6845.5 Ų45.527%0.26724%0.242SC..Hα-helixtrans-70.5-30.5179.3-68.2-66.5000112.4I32 Q35 T36 I55 P56 A62 F63I32-Y59 HydrophobicContact CG1-CD1 4.41Å; I32-Y59 HydrophobicContact CG2-CE1 4.3Å; Q35-Y59 HydrophobicContact CB-CE1 4.37Å; Q35-Y59 HydrophobicContact CG-CD2 4.2Å; Q35-Y59 HydrophobicContact CG-CE1 4.13Å; Q35-Y59 HydrophobicContact CG-CE2 3.7Å; T36-Y59 PolarHBondContact OG1-OH 3.32Å; T36-Y59 VanDerWaalsContact OG1-OH 3.06Å; I55-Y59 HydrophobicContact CG2-CD2 4.04Å; I55-Y59 HydrophobicContact CG2-CE2 3.64Å; I55-Y59 VanDerWaalsContact O-CD2 3.28Å; I55-Y59 WeakPolarHBondContact O-CD2 3.21Å; P56-Y59 PolarHBondContact O-N 3.19Å; P56-Y59 VanDerWaalsContact O-N 3.16Å; Y59-A62 PolarHBondContact O-N 3.39Å; Y59-F63 WeakPolarHBondContact O-CB 3.47Å; Y59-F63 PolarHBondContact O-N 2.97Å
60I92.6Very high90Very high83 Ų8346.7 Ų46.743%0.42626%0.255SS..Hα-helixtrans-59.7-47.5174.6-67.9165000110.3P56 F57 A58 A62 F63 L64 V97P56-I60 VanDerWaalsContact O-CG1 3.31Å; P56-I60 WeakPolarHBondContact O-CG1 3.48Å; P56-I60 PolarHBondContact O-N 2.7Å; F57-I60 PolarHBondContact O-N 3.06Å; A58-I60 VanDerWaalsContact C-N 3.33Å; I60-A62 PolarHBondContact O-N 3.42Å; I60-F63 PolarHBondContact O-N 3.12Å; I60-L64 HydrophobicContact CG2-CD1 4.02Å; I60-L64 HydrophobicContact CG2-CG 4.42Å; I60-L64 VanDerWaalsContact O-CG 3.31Å; I60-L64 WeakPolarHBondContact O-CG 3.38Å; I60-L64 PolarHBondContact O-N 3.05Å; I60-V97 HydrophobicContact CG2-CG1 4.18Å
61A91.7Very high90Very high0 Ų046.8 Ų46.80%026%0.258CS..Hα-helixtrans-60.1-46.117800000112L31 F57 A58 F63 L64 L65 V97 T98 I101L31-A61 HydrophobicContact CD1-CB 4.1Å; F57-A61 PolarHBondContact O-N 2.85Å; A58-A61 PolarHBondContact O-N 3.33Å; A61-F63 VanDerWaalsContact C-N 3.35Å; A61-F63 PolarHBondContact O-N 2.99Å; A61-L64 PolarHBondContact O-N 2.86Å; A61-L65 WeakPolarHBondContact O-CG 3.37Å; A61-L65 PolarHBondContact O-N 3.44Å; A61-L65 VanDerWaalsContact O-N 3.08Å; A61-V97 HydrophobicContact CB-CG1 4.37Å; A61-T98 HydrophobicContact CB-CG2 3.92Å; A61-I101 HydrophobicContact CB-CD1 3.97Å
62A93.6Very high90.2Very high1 Ų146 Ų461%0.00825%0.253CS..Hα-helixtrans-62.1-41.5177.900000112.5S28 L31 I32 A58 Y59 I60 L65 I66S28-A62 PolarHBondContact OG-O 3.33Å; L31-A62 HydrophobicContact CB-CB 3.97Å; L31-A62 HydrophobicContact CD1-CB 4.22Å; I32-A62 HydrophobicContact CD1-CB 4.12Å; I32-A62 HydrophobicContact CG1-CB 3.65Å; A58-A62 PolarHBondContact O-N 2.94Å; Y59-A62 PolarHBondContact O-N 3.39Å; I60-A62 PolarHBondContact O-N 3.42Å; A62-L65 PolarHBondContact O-N 3.49Å; A62-I66 WeakPolarHBondContact O-CG1 3.25Å; A62-I66 PolarHBondContact O-N 3.22Å; A62-I66 VanDerWaalsContact O-N 3.13Å
63F94.4Very high90.4Very high121 Ų12143.6 Ų43.653%0.53123%0.232SC..Hα-helixtrans-65.6-41.8177.9-177.4-104.6000112Y59 I60 A61 L65 I66 L67Y59-F63 WeakPolarHBondContact O-CB 3.47Å; Y59-F63 PolarHBondContact O-N 2.97Å; I60-F63 PolarHBondContact O-N 3.12Å; A61-F63 VanDerWaalsContact C-N 3.35Å; A61-F63 PolarHBondContact O-N 2.99Å; F63-L65 VanDerWaalsContact C-N 3.31Å; F63-L65 PolarHBondContact O-N 3.42Å; F63-I66 WeakPolarHBondContact O-CB 3.42Å; F63-I66 PolarHBondContact O-N 3Å; F63-I66 VanDerWaalsContact O-N 3.12Å; F63-L67 HydrophobicContact CD1-CD1 4.04Å; F63-L67 HydrophobicContact CD1-CG 4.36Å; F63-L67 HydrophobicContact CE1-CD1 3.55Å; F63-L67 HydrophobicContact CE1-CD2 4.37Å; F63-L67 HydrophobicContact CE1-CG 3.98Å; F63-L67 HydrophobicContact CZ-CD1 4.16Å; F63-L67 HydrophobicContact CZ-CD2 4.14Å; F63-L67 HydrophobicContact CZ-CG 4.19Å; F63-L67 PolarHBondContact O-N 3.1Å
64L94.9Very high90.7Very high32 Ų3239.9 Ų39.917%0.16821%0.21CC..Hα-helixtrans-60.3-41.4174.9-70.4173.2000111.6I60 A61 I66 L67 T68 F93 P94 V97I60-L64 HydrophobicContact CG2-CD1 4.02Å; I60-L64 HydrophobicContact CG2-CG 4.42Å; I60-L64 VanDerWaalsContact O-CG 3.31Å; I60-L64 WeakPolarHBondContact O-CG 3.38Å; I60-L64 PolarHBondContact O-N 3.05Å; A61-L64 PolarHBondContact O-N 2.86Å; L64-I66 VanDerWaalsContact C-N 3.32Å; L64-I66 PolarHBondContact O-N 3.31Å; L64-L67 PolarHBondContact O-N 2.85Å; L64-T68 PolarHBondContact O-N 3.07Å; L64-T68 PolarHBondContact O-OG1 2.98Å; L64-F93 HydrophobicContact CD1-CB 4.43Å; L64-F93 HydrophobicContact CD2-CB 4.22Å; L64-P94 HydrophobicContact CB-CB 3.96Å; L64-V97 HydrophobicContact CD1-CB 3.88Å; L64-V97 HydrophobicContact CD1-CG1 4.13Å; L64-V97 HydrophobicContact CD1-CG2 3.64Å
65L94.7Very high90.7Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-61.4-37.7174.1-69.3174.2000112.9L24 A27 L31 A61 A62 F63 L67 T68 A69 P94 I129 C133L24-L65 HydrophobicContact CD2-CD2 3.96Å; A27-L65 HydrophobicContact CB-CD1 4.17Å; L31-L65 HydrophobicContact CD1-CD1 3.84Å; A61-L65 WeakPolarHBondContact O-CG 3.37Å; A61-L65 PolarHBondContact O-N 3.44Å; A61-L65 VanDerWaalsContact O-N 3.08Å; A62-L65 PolarHBondContact O-N 3.49Å; F63-L65 VanDerWaalsContact C-N 3.31Å; F63-L65 PolarHBondContact O-N 3.42Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L65-T68 PolarHBondContact O-N 3.34Å; L65-A69 WeakPolarHBondContact O-CB 3.49Å; L65-A69 PolarHBondContact O-N 3.06Å; L65-P94 HydrophobicContact CD2-CB 3.99Å; L65-P94 HydrophobicContact CG-CB 4.45Å; L65-I129 HydrophobicContact CD1-CD1 4.41Å; L65-I129 HydrophobicContact CD1-CG2 3.78Å; L65-I129 HydrophobicContact CD2-CG2 3.99Å; L65-I129 HydrophobicContact CG-CG2 4.36Å; L65-C133 VanDerWaalsContact CD2-SG 3.56Å
66I95.3Very high90.5Very high60 Ų6038.4 Ų38.431%0.30821%0.21SC..Hα-helixtrans-63.8-43.4175.9-66.5167.5000110.2M25 S28 I32 A62 F63 L64 A69 G70M25-I66 HydrophobicContact CE-CG1 4.42Å; M25-I66 HydrophobicContact SD-CB 4.46Å; M25-I66 HydrophobicContact SD-CG1 4.1Å; M25-I66 HydrophobicContact SD-CG2 4.31Å; S28-I66 WeakPolarHBondContact OG-CD1 3.33Å; S28-I66 VanDerWaalsContact OG-CG1 3.25Å; S28-I66 WeakPolarHBondContact OG-CG1 3.16Å; I32-I66 HydrophobicContact CD1-CD1 4.46Å; A62-I66 WeakPolarHBondContact O-CG1 3.25Å; A62-I66 PolarHBondContact O-N 3.22Å; A62-I66 VanDerWaalsContact O-N 3.13Å; F63-I66 WeakPolarHBondContact O-CB 3.42Å; F63-I66 PolarHBondContact O-N 3Å; F63-I66 VanDerWaalsContact O-N 3.12Å; L64-I66 VanDerWaalsContact C-N 3.32Å; L64-I66 PolarHBondContact O-N 3.31Å; I66-A69 PolarHBondContact O-N 3.33Å; I66-G70 PolarHBondContact O-N 3.44Å
67L94.3Very high90.4Very high92 Ų9241.4 Ų41.448%0.48222%0.221SC..Hα-helixtrans-62.2-44.6176.4-68-179.6000111.5F63 L64 L65 G70 A71F63-L67 HydrophobicContact CD1-CD1 4.04Å; F63-L67 HydrophobicContact CD1-CG 4.36Å; F63-L67 HydrophobicContact CE1-CD1 3.55Å; F63-L67 HydrophobicContact CE1-CD2 4.37Å; F63-L67 HydrophobicContact CE1-CG 3.98Å; F63-L67 HydrophobicContact CZ-CD1 4.16Å; F63-L67 HydrophobicContact CZ-CD2 4.14Å; F63-L67 HydrophobicContact CZ-CG 4.19Å; F63-L67 PolarHBondContact O-N 3.1Å; L64-L67 PolarHBondContact O-N 2.85Å; L65-L67 VanDerWaalsContact C-N 3.35Å; L67-G70 PolarHBondContact O-N 3.14Å; L67-A71 WeakPolarHBondContact O-CB 3.46Å; L67-A71 PolarHBondContact O-N 3.49Å
68T93.5Very high90.5Very high1 Ų138.7 Ų38.71%0.00622%0.218CC..Hα-helixtrans-62.2-43175.7-51.20000111.6L24 L64 L65 G70 A71 T72 S90 C91 P94L24-T68 HydrophobicContact CD1-CG2 3.97Å; L64-T68 PolarHBondContact O-N 3.07Å; L64-T68 PolarHBondContact O-OG1 2.98Å; L65-T68 PolarHBondContact O-N 3.34Å; T68-G70 PolarHBondContact O-N 3.46Å; T68-A71 PolarHBondContact O-N 3.25Å; T68-T72 WeakPolarHBondContact O-CB 3.2Å; T68-T72 PolarHBondContact O-N 3.38Å; T68-T72 PolarHBondContact O-OG1 3.43Å; T68-S90 WeakPolarHBondContact CA-OG 3.4Å; T68-S90 PolarHBondContact OG1-O 3.34Å; T68-C91 HydrophobicContact CG2-CB 4.08Å; T68-P94 WeakPolarHBondContact OG1-CG 3.49Å
69A93.5Very high90.4Very high0 Ų044.1 Ų44.10%025%0.247CC..Hα-helixtrans-59.7-48176.400000110.8F21 L24 M25 L65 I66 T72 L73F21-A69 HydrophobicContact CD2-CB 3.77Å; F21-A69 WeakPolarHBondContact CD2-O 3.32Å; F21-A69 HydrophobicContact CE2-CB 4.18Å; L24-A69 HydrophobicContact CB-CB 3.76Å; L24-A69 HydrophobicContact CD1-CB 4.26Å; M25-A69 HydrophobicContact CG-CB 3.97Å; M25-A69 HydrophobicContact SD-CB 3.97Å; L65-A69 WeakPolarHBondContact O-CB 3.49Å; L65-A69 PolarHBondContact O-N 3.06Å; I66-A69 PolarHBondContact O-N 3.33Å; A69-T72 PolarHBondContact O-N 2.99Å; A69-L73 PolarHBondContact O-N 2.93Å
70G93.4Very high89.7Confident29 Ų2942.4 Ų42.430%0.29925%0.245SC..Hα-helixtrans-57-50.3175.800000112.2I66 L67 T68 T72 L73 T74I66-G70 PolarHBondContact O-N 3.44Å; L67-G70 PolarHBondContact O-N 3.14Å; T68-G70 PolarHBondContact O-N 3.46Å; G70-T72 PolarHBondContact O-N 3.09Å; G70-L73 PolarHBondContact O-N 2.92Å; G70-T74 PolarHBondContact O-N 3.44Å; G70-T74 PolarHBondContact O-OG1 2.9Å
71A91.9Very high89.1Confident13 Ų1341.6 Ų41.611%0.10724%0.241CC..Hα-helixtrans-61.1-42.2178.100000112.5L67 T68 L73 T74 A75L67-A71 WeakPolarHBondContact O-CB 3.46Å; L67-A71 PolarHBondContact O-N 3.49Å; T68-A71 PolarHBondContact O-N 3.25Å; A71-L73 PolarHBondContact O-N 2.86Å; A71-T74 PolarHBondContact O-N 3.49Å; A71-A75 VanDerWaalsContact O-CB 3.29Å; A71-A75 WeakPolarHBondContact O-CB 3.28Å; A71-A75 PolarHBondContact O-N 3.05Å
72T90.4Very high88.8Confident0 Ų048.9 Ų48.90%028%0.276CS..Hα-helixtrans-62.7-40.5176.2-64.60000111.8H17 A20 T68 A69 G70 G76 S87 H136 L140H17-T72 HydrophobicContact CB-CG2 4.42Å; H17-T72 PolarHBondContact ND1-O 3.08Å; A20-T72 HydrophobicContact CB-CG2 3.94Å; T68-T72 WeakPolarHBondContact O-CB 3.2Å; T68-T72 PolarHBondContact O-N 3.38Å; T68-T72 PolarHBondContact O-OG1 3.43Å; A69-T72 PolarHBondContact O-N 2.99Å; G70-T72 PolarHBondContact O-N 3.09Å; T72-G76 PolarHBondContact O-N 3.32Å; T72-S87 WeakPolarHBondContact CA-OG 3.25Å; T72-S87 PolarHBondContact OG1-OG 3.49Å; T72-H136 PolarHBondContact OG1-NE2 2.91Å; T72-H136 VanDerWaalsContact OG1-NE2 3.1Å; T72-L140 HydrophobicContact CG2-CD2 4.48Å
73L90.7Very high88.5Confident47 Ų4754.2 Ų54.225%0.24630%0.296CS..Hα-helixtrans-68.8-44.1176.6-177.863.3000111.4F21 A69 G70 A71 A75 G76 L77F21-L73 HydrophobicContact CB-CB 4.3Å; F21-L73 HydrophobicContact CD1-CD2 4.47Å; F21-L73 HydrophobicContact CD2-CB 3.85Å; F21-L73 HydrophobicContact CD2-CD2 3.95Å; F21-L73 HydrophobicContact CD2-CG 4.43Å; F21-L73 HydrophobicContact CE1-CD2 4.48Å; F21-L73 HydrophobicContact CE2-CD2 3.95Å; F21-L73 HydrophobicContact CG-CB 4.21Å; F21-L73 HydrophobicContact CG-CD2 4.22Å; F21-L73 HydrophobicContact CZ-CD2 4.22Å; A69-L73 PolarHBondContact O-N 2.93Å; G70-L73 PolarHBondContact O-N 2.92Å; A71-L73 PolarHBondContact O-N 2.86Å; L73-A75 VanDerWaalsContact C-N 3.33Å; L73-A75 PolarHBondContact O-N 3.44Å; L73-G76 PolarHBondContact O-N 3.37Å; L73-L77 HydrophobicContact CD1-CD1 4.2Å; L73-L77 HydrophobicContact CD1-CG 4.37Å; L73-L77 HydrophobicContact CG-CD1 3.97Å; L73-L77 HydrophobicContact CG-CG 4.49Å; L73-L77 WeakPolarHBondContact O-CG 3.44Å; L73-L77 PolarHBondContact O-N 3Å
74T90Very high87.9Confident50 Ų5048.9 Ų48.931%0.30727%0.273SS..Hα-helixtrans-63.5-38.9178.5-55.20000111.8G70 A71 L77 A78 W83G70-T74 PolarHBondContact O-N 3.44Å; G70-T74 PolarHBondContact O-OG1 2.9Å; A71-T74 PolarHBondContact O-N 3.49Å; T74-L77 PolarHBondContact O-N 3.11Å; T74-A78 HydrophobicContact CG2-CB 4.49Å; T74-A78 WeakPolarHBondContact O-CB 3.33Å; T74-A78 PolarHBondContact O-N 2.93Å; T74-W83 HydrophobicContact CG2-CD2 3.41Å; T74-W83 VanDerWaalsContact CG2-CD2 3.41Å; T74-W83 HydrophobicContact CG2-CE3 3.53Å; T74-W83 HydrophobicContact CG2-CG 3.96Å; T74-W83 HydrophobicContact CG2-CH2 4.01Å; T74-W83 HydrophobicContact CG2-CZ2 3.91Å; T74-W83 HydrophobicContact CG2-CZ3 3.83Å
75A86.3Confident87.5Confident1 Ų150.6 Ų50.61%0.00829%0.285CS..Hα-helixtrans-53.7-53.6172.600000111.9A71 L73 L77 A78 N79 W83 D84A71-A75 VanDerWaalsContact O-CB 3.29Å; A71-A75 WeakPolarHBondContact O-CB 3.28Å; A71-A75 PolarHBondContact O-N 3.05Å; L73-A75 VanDerWaalsContact C-N 3.33Å; L73-A75 PolarHBondContact O-N 3.44Å; A75-L77 VanDerWaalsContact C-N 3.3Å; A75-L77 PolarHBondContact O-N 3Å; A75-A78 PolarHBondContact O-N 3.02Å; A75-N79 PolarHBondContact O-N 3.2Å; A75-N79 VanDerWaalsContact O-N 3.09Å; A75-W83 HydrophobicContact CB-CB 4.2Å; A75-D84 WeakPolarHBondContact CB-OD1 3.43Å
76G83Confident87.3Confident28 Ų2852.5 Ų52.529%0.28930%0.3SS..Hα-helixtrans-65.6-27.4178.800000114.8H17 T72 L73H17-G76 VanDerWaalsContact CD2-CA 3.46Å; H17-G76 WeakPolarHBondContact CD2-CA 3.31Å; T72-G76 PolarHBondContact O-N 3.32Å; L73-G76 PolarHBondContact O-N 3.37Å
77L84.8Confident86.9Confident136 Ų13649.7 Ų49.771%0.71229%0.286SS*.Hα-helixtrans-85.9-36.8178.6-68.3175.9000113.3L73 T74 A75L73-L77 HydrophobicContact CD1-CD1 4.2Å; L73-L77 HydrophobicContact CD1-CG 4.37Å; L73-L77 HydrophobicContact CG-CD1 3.97Å; L73-L77 HydrophobicContact CG-CG 4.49Å; L73-L77 WeakPolarHBondContact O-CG 3.44Å; L73-L77 PolarHBondContact O-N 3Å; T74-L77 PolarHBondContact O-N 3.11Å; A75-L77 VanDerWaalsContact C-N 3.3Å; A75-L77 PolarHBondContact O-N 3Å
78A84.5Confident86.6Confident50 Ų5046.9 Ų46.941%0.41327%0.272SS..Hα-helixtrans-87.1-20-174.600000113.2T74 A75 S80 W83T74-A78 HydrophobicContact CG2-CB 4.49Å; T74-A78 WeakPolarHBondContact O-CB 3.33Å; T74-A78 PolarHBondContact O-N 2.93Å; A75-A78 PolarHBondContact O-N 3.02Å; A78-S80 PolarHBondContact O-N 3.23Å; A78-W83 HydrophobicContact CB-CG 4.39Å
79N73.7Confident86.5Confident114 Ų11450 Ų5061%0.6129%0.292SS*.THydrogen-bonded Turntrans50.839.8-176.8-16625.1000112.7A75A75-N79 PolarHBondContact O-N 3.2Å; A75-N79 VanDerWaalsContact O-N 3.09Å
80S76.6Confident86.4Confident33 Ų3351 Ų5123%0.23130%0.299CS..  trans-117131.6-174.2168.60000110.5A78 E82 W83 D84A78-S80 PolarHBondContact O-N 3.23Å; S80-E82 PolarHBondContact O-N 3.37Å; S80-E82 PolarHBondContact OG-N 3.33Å; S80-W83 PolarHBondContact O-N 3.44Å; S80-D84 PolarHBondContact O-N 3.44Å
81D79Confident86.3Confident65 Ų6549.9 Ų49.935%0.34829%0.286SS..Hα-helixtrans-61.6-27.4-179.3-58.4-50.7000111.9T85 F144 K151D81-T85 WeakPolarHBondContact O-CB 3.39Å; D81-T85 PolarHBondContact O-N 3.07Å; D81-T85 PolarHBondContact O-OG1 3.26Å; D81-F144 HydrophobicContact CB-CE2 4.44Å; D81-K151 IonicContact OD1-NZ 2.65Å; D81-K151 PolarHBondContact OD1-NZ 2.62Å; D81-K151 IonicContact OD2-NZ 2.9Å; D81-K151 PolarHBondContact OD2-NZ 2.86Å
82E86.7Confident86.4Confident154 Ų15453.3 Ų53.372%0.7230%0.301SS*.Hα-helixtrans-66.2-43175.4-62.2177.2169.300111.2S80 A86S80-E82 PolarHBondContact O-N 3.37Å; S80-E82 PolarHBondContact OG-N 3.33Å; E82-A86 VanDerWaalsContact O-CB 3.3Å; E82-A86 WeakPolarHBondContact O-CB 3.3Å; E82-A86 PolarHBondContact O-N 2.82Å
83W86.1Confident86.5Confident113 Ų11359 Ų5943%0.42833%0.326SS..Hα-helixtrans-75.2-33.9179.3-75.4103.5000112.1T74 A75 A78 S80 A86 S87T74-W83 HydrophobicContact CG2-CD2 3.41Å; T74-W83 VanDerWaalsContact CG2-CD2 3.41Å; T74-W83 HydrophobicContact CG2-CE3 3.53Å; T74-W83 HydrophobicContact CG2-CG 3.96Å; T74-W83 HydrophobicContact CG2-CH2 4.01Å; T74-W83 HydrophobicContact CG2-CZ2 3.91Å; T74-W83 HydrophobicContact CG2-CZ3 3.83Å; A75-W83 HydrophobicContact CB-CB 4.2Å; A78-W83 HydrophobicContact CB-CG 4.39Å; S80-W83 PolarHBondContact O-N 3.44Å; W83-A86 PolarHBondContact O-N 3.07Å; W83-S87 WeakPolarHBondContact O-CB 3.48Å; W83-S87 PolarHBondContact O-N 3.04Å
84D83.6Confident86.6Confident9 Ų956.8 Ų56.85%0.04832%0.315CS..Hα-helixtrans-62.2-46.6171.1-68.8-28.9000110.9A75 S80 A86 S87 V88 F144A75-D84 WeakPolarHBondContact CB-OD1 3.43Å; S80-D84 PolarHBondContact O-N 3.44Å; D84-A86 VanDerWaalsContact C-N 3.35Å; D84-A86 PolarHBondContact O-N 2.96Å; D84-S87 WeakPolarHBondContact O-CB 3.42Å; D84-S87 PolarHBondContact O-N 3.43Å; D84-V88 WeakPolarHBondContact O-CG2 3.38Å; D84-V88 PolarHBondContact O-N 3.11Å; D84-F144 HydrophobicContact CB-CD2 3.51Å; D84-F144 HydrophobicContact CB-CE2 3.86Å
85T86.4Confident86.8Confident68 Ų6856.6 Ų56.642%0.41731%0.312SS..Hα-helixtrans-61.9-44.3175.9-56.80000110.9D81 S87 V88 V89D81-T85 WeakPolarHBondContact O-CB 3.39Å; D81-T85 PolarHBondContact O-N 3.07Å; D81-T85 PolarHBondContact O-OG1 3.26Å; T85-S87 VanDerWaalsContact C-N 3.29Å; T85-S87 PolarHBondContact O-N 3.35Å; T85-V88 PolarHBondContact O-N 2.9Å; T85-V89 HydrophobicContact CG2-CG2 4.48Å; T85-V89 WeakPolarHBondContact O-CG2 3.3Å; T85-V89 PolarHBondContact O-N 3.26Å
86A89Confident87.2Confident40 Ų4061.5 Ų61.533%0.33134%0.337SS..Hα-helixtrans-60.8-39.6176.100000111.7E82 W83 D84 V89 S90E82-A86 VanDerWaalsContact O-CB 3.3Å; E82-A86 WeakPolarHBondContact O-CB 3.3Å; E82-A86 PolarHBondContact O-N 2.82Å; W83-A86 PolarHBondContact O-N 3.07Å; D84-A86 VanDerWaalsContact C-N 3.35Å; D84-A86 PolarHBondContact O-N 2.96Å; A86-V89 PolarHBondContact O-N 3.46Å; A86-S90 WeakPolarHBondContact O-CB 3.2Å; A86-S90 PolarHBondContact O-N 3.26Å; A86-S90 PolarHBondContact O-OG 3.16Å
87S87.7Confident87.8Confident0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-61.7-47.8175.5-175.10000111.4T72 W83 D84 T85 V89 S90 C91 L140T72-S87 WeakPolarHBondContact CA-OG 3.25Å; T72-S87 PolarHBondContact OG1-OG 3.49Å; W83-S87 WeakPolarHBondContact O-CB 3.48Å; W83-S87 PolarHBondContact O-N 3.04Å; D84-S87 WeakPolarHBondContact O-CB 3.42Å; D84-S87 PolarHBondContact O-N 3.43Å; T85-S87 VanDerWaalsContact C-N 3.29Å; T85-S87 PolarHBondContact O-N 3.35Å; S87-V89 PolarHBondContact O-N 3.48Å; S87-S90 PolarHBondContact O-N 3.34Å; S87-S90 PolarHBondContact O-OG 3.34Å; S87-C91 PolarHBondContact O-N 3.35Å; S87-L140 WeakPolarHBondContact OG-CD1 3.48Å; S87-L140 WeakPolarHBondContact OG-CD2 3.44Å
88V88.1Confident88.3Confident33 Ų3355.5 Ų55.520%0.230%0.3CS..Hα-helixtrans-58.6-50176.2173.50000111.1D84 T85 S90 C91 L140D84-V88 WeakPolarHBondContact O-CG2 3.38Å; D84-V88 PolarHBondContact O-N 3.11Å; T85-V88 PolarHBondContact O-N 2.9Å; V88-S90 VanDerWaalsContact C-N 3.32Å; V88-S90 PolarHBondContact O-N 3.31Å; V88-C91 WeakPolarHBondContact O-CB 3.3Å; V88-C91 PolarHBondContact O-N 2.96Å; V88-C91 VanDerWaalsContact O-N 3.16Å; V88-L140 HydrophobicContact CG2-CB 3.88Å
89V91.2Very high88.8Confident68 Ų6856 Ų5641%0.41230%0.298SS..Hα-helixtrans-63-40.7179.5173.40000111.1T85 A86 S87 C91 I92 F93T85-V89 HydrophobicContact CG2-CG2 4.48Å; T85-V89 WeakPolarHBondContact O-CG2 3.3Å; T85-V89 PolarHBondContact O-N 3.26Å; A86-V89 PolarHBondContact O-N 3.46Å; S87-V89 PolarHBondContact O-N 3.48Å; V89-C91 PolarHBondContact O-N 3.08Å; V89-C91 VanDerWaalsContact O-N 3.17Å; V89-I92 WeakPolarHBondContact O-CB 3.38Å; V89-I92 PolarHBondContact O-N 3.45Å; V89-I92 VanDerWaalsContact O-N 3.12Å; V89-F93 HydrophobicContact CG1-CE2 4.03Å
90S91.6Very high89.8Confident21 Ų2153 Ų5315%0.14729%0.289CS..Hα-helixtrans-63-22178.978.10000113T68 A86 S87 V88 P94T68-S90 WeakPolarHBondContact CA-OG 3.4Å; T68-S90 PolarHBondContact OG1-O 3.34Å; A86-S90 WeakPolarHBondContact O-CB 3.2Å; A86-S90 PolarHBondContact O-N 3.26Å; A86-S90 PolarHBondContact O-OG 3.16Å; S87-S90 PolarHBondContact O-N 3.34Å; S87-S90 PolarHBondContact O-OG 3.34Å; V88-S90 VanDerWaalsContact C-N 3.32Å; V88-S90 PolarHBondContact O-N 3.31Å; S90-P94 WeakPolarHBondContact O-CD 3.24Å
91C91.8Very high90.6Very high4 Ų451.9 Ų51.93%0.02728%0.28CS..Hα-helixtrans-80.4-23.6178-166.90000113.1T68 S87 V88 V89 P94 L95 C133 L140T68-C91 HydrophobicContact CG2-CB 4.08Å; S87-C91 PolarHBondContact O-N 3.35Å; V88-C91 WeakPolarHBondContact O-CB 3.3Å; V88-C91 PolarHBondContact O-N 2.96Å; V88-C91 VanDerWaalsContact O-N 3.16Å; V89-C91 PolarHBondContact O-N 3.08Å; V89-C91 VanDerWaalsContact O-N 3.17Å; C91-P94 WeakPolarHBondContact O-CD 3.19Å; C91-P94 VanDerWaalsContact O-CG 3.32Å; C91-P94 WeakPolarHBondContact O-CG 3.43Å; C91-L95 WeakPolarHBondContact O-CB 3.28Å; C91-L95 PolarHBondContact O-N 2.95Å; C91-C133 PolarHBondContact SG-O 2.96Å; C91-L140 HydrophobicContact CB-CD1 4.48Å
92I92.4Very high91.4Very high85 Ų8549 Ų4944%0.43627%0.265SS..Hα-helixtrans-67.4-41.3179.8-61.4173.4000111V89 L95 I96V89-I92 WeakPolarHBondContact O-CB 3.38Å; V89-I92 PolarHBondContact O-N 3.45Å; V89-I92 VanDerWaalsContact O-N 3.12Å; I92-L95 WeakPolarHBondContact O-CB 3.32Å; I92-L95 PolarHBondContact O-N 2.83Å; I92-I96 HydrophobicContact CG2-CD1 3.68Å; I92-I96 HydrophobicContact CG2-CG1 4.33Å; I92-I96 WeakPolarHBondContact O-CG1 3.4Å; I92-I96 PolarHBondContact O-N 2.9Å
93F93.2Very high91.8Very high120 Ų12045.3 Ų45.353%0.52626%0.256SS..Hα-helixtrans-61.2-54.3-179.2-66.8-73.1000114.2L64 V89 L95 I96 V97L64-F93 HydrophobicContact CD1-CB 4.43Å; L64-F93 HydrophobicContact CD2-CB 4.22Å; V89-F93 HydrophobicContact CG1-CE2 4.03Å; F93-L95 VanDerWaalsContact C-N 3.26Å; F93-L95 PolarHBondContact O-N 3.32Å; F93-I96 PolarHBondContact O-N 2.78Å; F93-V97 WeakPolarHBondContact O-CB 3.49Å; F93-V97 WeakPolarHBondContact O-CG2 3.25Å; F93-V97 PolarHBondContact O-N 3.13Å
94P93.1Very high92.1Very high0 Ų043 Ų430%025%0.254CS..Hα-helixtrans-62.4-35.3176.825.5-34.3000111.3L64 L65 T68 S90 C91 V97 T98L64-P94 HydrophobicContact CB-CB 3.96Å; L65-P94 HydrophobicContact CD2-CB 3.99Å; L65-P94 HydrophobicContact CG-CB 4.45Å; T68-P94 WeakPolarHBondContact OG1-CG 3.49Å; S90-P94 WeakPolarHBondContact O-CD 3.24Å; C91-P94 WeakPolarHBondContact O-CD 3.19Å; C91-P94 VanDerWaalsContact O-CG 3.32Å; C91-P94 WeakPolarHBondContact O-CG 3.43Å; P94-V97 PolarHBondContact O-N 2.92Å; P94-T98 VanDerWaalsContact O-CB 3.25Å; P94-T98 WeakPolarHBondContact O-CB 3.13Å; P94-T98 WeakPolarHBondContact O-CG2 3.41Å; P94-T98 PolarHBondContact O-N 3.38Å; P94-T98 PolarHBondContact O-OG1 3.47Å
95L94.4Very high92.6Very high47 Ų4742.8 Ų42.825%0.24625%0.253CS..Hα-helixtrans-58.2-50.5175.7177.263.9000111.9C91 I92 F93 T98 T99 A130 C133 F134C91-L95 WeakPolarHBondContact O-CB 3.28Å; C91-L95 PolarHBondContact O-N 2.95Å; I92-L95 WeakPolarHBondContact O-CB 3.32Å; I92-L95 PolarHBondContact O-N 2.83Å; F93-L95 VanDerWaalsContact C-N 3.26Å; F93-L95 PolarHBondContact O-N 3.32Å; L95-T98 PolarHBondContact O-OG1 3.4Å; L95-T99 VanDerWaalsContact O-CB 3.32Å; L95-T99 WeakPolarHBondContact O-CB 3.36Å; L95-T99 PolarHBondContact O-N 2.93Å; L95-T99 VanDerWaalsContact O-N 3.07Å; L95-T99 PolarHBondContact O-OG1 3.46Å; L95-A130 HydrophobicContact CD1-CB 4.16Å; L95-A130 WeakPolarHBondContact CD1-O 3.38Å; L95-C133 HydrophobicContact CB-CB 4.1Å; L95-C133 HydrophobicContact CD1-CB 4.3Å; L95-F134 HydrophobicContact CD1-CB 4Å; L95-F134 HydrophobicContact CD2-CD2 4.32Å
96I95.4Very high92.9Very high103 Ų10342.2 Ų42.253%0.52825%0.247SC..Hα-helixtrans-63.9-48179.5-67170000110.6I92 F93 T99 A100I92-I96 HydrophobicContact CG2-CD1 3.68Å; I92-I96 HydrophobicContact CG2-CG1 4.33Å; I92-I96 WeakPolarHBondContact O-CG1 3.4Å; I92-I96 PolarHBondContact O-N 2.9Å; F93-I96 PolarHBondContact O-N 2.78Å; I96-T99 PolarHBondContact O-N 3.48Å; I96-A100 WeakPolarHBondContact O-CB 3.28Å; I96-A100 PolarHBondContact O-N 3.23Å
97V94.7Very high93.2Very high39 Ų3945.9 Ų45.924%0.23626%0.257CS..Hα-helixtrans-66.2-44.9-175.4170.30000111.6I60 A61 L64 F93 P94 A100 I101I60-V97 HydrophobicContact CG2-CG1 4.18Å; A61-V97 HydrophobicContact CB-CG1 4.37Å; L64-V97 HydrophobicContact CD1-CB 3.88Å; L64-V97 HydrophobicContact CD1-CG1 4.13Å; L64-V97 HydrophobicContact CD1-CG2 3.64Å; F93-V97 WeakPolarHBondContact O-CB 3.49Å; F93-V97 WeakPolarHBondContact O-CG2 3.25Å; F93-V97 PolarHBondContact O-N 3.13Å; P94-V97 PolarHBondContact O-N 2.92Å; V97-A100 PolarHBondContact O-N 3.05Å; V97-I101 HydrophobicContact CG1-CD1 3.7Å; V97-I101 HydrophobicContact CG1-CG1 4.41Å; V97-I101 VanDerWaalsContact O-CG1 3.28Å; V97-I101 WeakPolarHBondContact O-CG1 3.15Å; V97-I101 PolarHBondContact O-N 3.29Å
98T94.8Very high93.4Very high0 Ų048.1 Ų48.10%027%0.268CS..Hα-helixtrans-65.9-39.7178.3550000111.3A61 P94 L95 A100 I101 A102 N126 I129 A130A61-T98 HydrophobicContact CB-CG2 3.92Å; P94-T98 VanDerWaalsContact O-CB 3.25Å; P94-T98 WeakPolarHBondContact O-CB 3.13Å; P94-T98 WeakPolarHBondContact O-CG2 3.41Å; P94-T98 PolarHBondContact O-N 3.38Å; P94-T98 PolarHBondContact O-OG1 3.47Å; L95-T98 PolarHBondContact O-OG1 3.4Å; T98-A100 PolarHBondContact O-N 3.42Å; T98-I101 PolarHBondContact O-N 3.48Å; T98-A102 VanDerWaalsContact O-CB 3.25Å; T98-A102 WeakPolarHBondContact O-CB 3.36Å; T98-A102 PolarHBondContact O-N 3.36Å; T98-N126 WeakPolarHBondContact O-CB 3.47Å; T98-I129 HydrophobicContact CG2-CB 4.39Å; T98-I129 HydrophobicContact CG2-CG2 3.73Å; T98-A130 WeakPolarHBondContact OG1-CA 3.36Å; T98-A130 WeakPolarHBondContact OG1-CB 3.37Å
99T95.4Very high93.6Very high60 Ų6050.5 Ų50.537%0.36827%0.274SS..Hα-helixtrans-60.9-45.9172.7-55.80000111.3L95 I96 I101 A102 C103L95-T99 VanDerWaalsContact O-CB 3.32Å; L95-T99 WeakPolarHBondContact O-CB 3.36Å; L95-T99 PolarHBondContact O-N 2.93Å; L95-T99 VanDerWaalsContact O-N 3.07Å; L95-T99 PolarHBondContact O-OG1 3.46Å; I96-T99 PolarHBondContact O-N 3.48Å; T99-I101 PolarHBondContact O-N 3.38Å; T99-A102 PolarHBondContact O-N 2.91Å; T99-C103 PolarHBondContact O-N 2.92Å; T99-C103 PolarHBondContact O-SG 2.93Å
100A95.5Very high93.7Very high50 Ų5052.2 Ų52.241%0.41328%0.284SS..Hα-helixtrans-62.9-43.517900000112.3I96 V97 T98 T104I96-A100 WeakPolarHBondContact O-CB 3.28Å; I96-A100 PolarHBondContact O-N 3.23Å; V97-A100 PolarHBondContact O-N 3.05Å; T98-A100 PolarHBondContact O-N 3.42Å; A100-T104 VanDerWaalsContact O-CB 3.31Å; A100-T104 WeakPolarHBondContact O-CB 3.37Å; A100-T104 PolarHBondContact O-N 3.36Å; A100-T104 PolarHBondContact O-OG1 2.9Å
101I93.8Very high93.7Very high11 Ų1156.1 Ų56.16%0.05630%0.303CS..Hα-helixtrans-64-44.2175.6-67.5165.7000110.1F57 A61 V97 T98 T99 T104 T105 N126F57-I101 HydrophobicContact CB-CD1 4.42Å; F57-I101 HydrophobicContact CB-CG1 4.5Å; F57-I101 WeakPolarHBondContact O-CD1 3.37Å; A61-I101 HydrophobicContact CB-CD1 3.97Å; V97-I101 HydrophobicContact CG1-CD1 3.7Å; V97-I101 HydrophobicContact CG1-CG1 4.41Å; V97-I101 VanDerWaalsContact O-CG1 3.28Å; V97-I101 WeakPolarHBondContact O-CG1 3.15Å; V97-I101 PolarHBondContact O-N 3.29Å; T98-I101 PolarHBondContact O-N 3.48Å; T99-I101 PolarHBondContact O-N 3.38Å; I101-T104 PolarHBondContact O-N 3.27Å; I101-T105 HydrophobicContact CG2-CG2 4.03Å; I101-T105 WeakPolarHBondContact O-CB 3.24Å; I101-T105 VanDerWaalsContact O-CG2 3.27Å; I101-T105 WeakPolarHBondContact O-CG2 3.27Å; I101-T105 PolarHBondContact O-N 2.71Å; I101-T105 PolarHBondContact O-OG1 3.07Å; I101-N126 HydrophobicContact CG2-CB 4.31Å
102A94.8Very high93.5Very high3 Ų358 Ų583%0.02532%0.324CS..Hα-helixtrans-58.4-52.5177.700000111.8T98 T99 T104 T105 I106 G123 N126 S127T98-A102 VanDerWaalsContact O-CB 3.25Å; T98-A102 WeakPolarHBondContact O-CB 3.36Å; T98-A102 PolarHBondContact O-N 3.36Å; T99-A102 PolarHBondContact O-N 2.91Å; A102-T104 PolarHBondContact O-N 3.5Å; A102-T105 PolarHBondContact O-N 3.42Å; A102-T105 PolarHBondContact O-OG1 3.21Å; A102-I106 WeakPolarHBondContact O-CB 3.34Å; A102-I106 WeakPolarHBondContact O-CD1 3.32Å; A102-I106 WeakPolarHBondContact O-CG1 3.25Å; A102-I106 PolarHBondContact O-N 3.4Å; A102-G123 WeakPolarHBondContact CB-O 3.46Å; A102-N126 HydrophobicContact CB-CB 4.01Å; A102-S127 WeakPolarHBondContact CB-OG 3.49Å
103C95.2Very high93.1Very high77 Ų7757.3 Ų57.352%0.5233%0.326SS..Hα-helixtrans-58.6-47.4177-67.50000111.5T99 Q107T99-C103 PolarHBondContact O-N 2.92Å; T99-C103 PolarHBondContact O-SG 2.93Å; C103-Q107 WeakPolarHBondContact O-CB 3.21Å; C103-Q107 PolarHBondContact O-N 2.85Å
104T93.2Very high92.8Very high64 Ų6454.2 Ų54.239%0.39332%0.315SS..Hα-helixtrans-63.9-45.8-177.3-56.70000111.9A100 I101 A102 Q107 Q108A100-T104 VanDerWaalsContact O-CB 3.31Å; A100-T104 WeakPolarHBondContact O-CB 3.37Å; A100-T104 PolarHBondContact O-N 3.36Å; A100-T104 PolarHBondContact O-OG1 2.9Å; I101-T104 PolarHBondContact O-N 3.27Å; A102-T104 PolarHBondContact O-N 3.5Å; T104-Q107 PolarHBondContact O-N 3.19Å; T104-Q108 HydrophobicContact CG2-CG 4.38Å; T104-Q108 VanDerWaalsContact O-CB 3.3Å; T104-Q108 WeakPolarHBondContact O-CB 3.24Å; T104-Q108 WeakPolarHBondContact O-CG 3.34Å; T104-Q108 PolarHBondContact O-N 3.38Å
105T92.4Very high92.3Very high5 Ų558.1 Ų58.13%0.03134%0.34CS..Hα-helixtrans-71.5-40.5-176.6520000112.3W50 I101 A102 Y109 M119 G123W50-T105 HydrophobicContact CH2-CG2 3.89Å; I101-T105 HydrophobicContact CG2-CG2 4.03Å; I101-T105 WeakPolarHBondContact O-CB 3.24Å; I101-T105 VanDerWaalsContact O-CG2 3.27Å; I101-T105 WeakPolarHBondContact O-CG2 3.27Å; I101-T105 PolarHBondContact O-N 2.71Å; I101-T105 PolarHBondContact O-OG1 3.07Å; A102-T105 PolarHBondContact O-N 3.42Å; A102-T105 PolarHBondContact O-OG1 3.21Å; T105-Y109 WeakPolarHBondContact O-CB 3.31Å; T105-Y109 PolarHBondContact O-N 2.83Å; T105-Y109 VanDerWaalsContact O-N 3.1Å; T105-M119 WeakPolarHBondContact CB-O 3.45Å; T105-M119 HydrophobicContact CG2-CE 3.9Å; T105-M119 HydrophobicContact CG2-SD 4.31Å; T105-G123 WeakPolarHBondContact OG1-CA 3Å; T105-G123 PolarHBondContact OG1-N 3.36Å
106I93.9Very high92Very high57 Ų5758.5 Ų58.529%0.29234%0.34SS..Hα-helixtrans-64.7-46.3173.7-66.8169.1000110A102 Y109 V110A102-I106 WeakPolarHBondContact O-CB 3.34Å; A102-I106 WeakPolarHBondContact O-CD1 3.32Å; A102-I106 WeakPolarHBondContact O-CG1 3.25Å; A102-I106 PolarHBondContact O-N 3.4Å; I106-Y109 PolarHBondContact O-N 2.9Å; I106-V110 HydrophobicContact CG2-CG2 4.22Å; I106-V110 WeakPolarHBondContact O-CB 3.35Å; I106-V110 VanDerWaalsContact O-CG2 3.31Å; I106-V110 WeakPolarHBondContact O-CG2 3.48Å; I106-V110 PolarHBondContact O-N 3.42Å
107Q94Very high91.9Very high116 Ų11655.2 Ų55.254%0.54233%0.326SS..Hα-helixtrans-60.9-47.8178.2-178.6178.8-6.800111.2C103 T104 Y109 V110 D111C103-Q107 WeakPolarHBondContact O-CB 3.21Å; C103-Q107 PolarHBondContact O-N 2.85Å; T104-Q107 PolarHBondContact O-N 3.19Å; Q107-Y109 PolarHBondContact O-N 3.44Å; Q107-V110 PolarHBondContact O-N 2.86Å; Q107-D111 WeakPolarHBondContact CG-OD2 3.44Å; Q107-D111 PolarHBondContact NE2-OD2 3.47Å; Q107-D111 VanDerWaalsContact NE2-OD2 3.08Å; Q107-D111 VanDerWaalsContact O-CB 3.3Å; Q107-D111 WeakPolarHBondContact O-CB 3.4Å; Q107-D111 PolarHBondContact O-N 3.27Å
108Q92.3Very high91.8Very high48 Ų4853.3 Ų53.322%0.22432%0.315CS..Hα-helixtrans-62-32.2-179.5-77.1177.6-15.900113T104 S113 L114 M119T104-Q108 HydrophobicContact CG2-CG 4.38Å; T104-Q108 VanDerWaalsContact O-CB 3.3Å; T104-Q108 WeakPolarHBondContact O-CB 3.24Å; T104-Q108 WeakPolarHBondContact O-CG 3.34Å; T104-Q108 PolarHBondContact O-N 3.38Å; Q108-S113 VanDerWaalsContact CA-OG 3.24Å; Q108-S113 WeakPolarHBondContact CA-OG 3.46Å; Q108-S113 WeakPolarHBondContact CB-OG 3.28Å; Q108-S113 PolarHBondContact O-N 2.88Å; Q108-S113 VanDerWaalsContact O-N 3.14Å; Q108-S113 PolarHBondContact O-OG 2.95Å; Q108-L114 PolarHBondContact O-N 3.5Å; Q108-L114 VanDerWaalsContact O-N 3.08Å; Q108-M119 HydrophobicContact CB-CE 3.94Å
109Y92.6Very high91.6Very high82 Ų8253.3 Ų53.332%0.32232%0.315SS..Hα-helixtrans-70.9-48.8172.8179-94.6000112.1T105 I106 Q107 G112 K116 L120T105-Y109 WeakPolarHBondContact O-CB 3.31Å; T105-Y109 PolarHBondContact O-N 2.83Å; T105-Y109 VanDerWaalsContact O-N 3.1Å; I106-Y109 PolarHBondContact O-N 2.9Å; Q107-Y109 PolarHBondContact O-N 3.44Å; Y109-G112 PolarHBondContact O-N 3.2Å; Y109-K116 WeakPolarHBondContact CD2-O 3.44Å; Y109-L120 HydrophobicContact CD1-CB 4.1Å; Y109-L120 HydrophobicContact CD1-CD1 3.99Å; Y109-L120 HydrophobicContact CD1-CD2 4.35Å; Y109-L120 HydrophobicContact CD1-CG 4.37Å; Y109-L120 HydrophobicContact CD2-CB 3.91Å; Y109-L120 HydrophobicContact CE1-CB 4.26Å; Y109-L120 HydrophobicContact CE1-CD1 4.21Å; Y109-L120 HydrophobicContact CE1-CD2 3.8Å; Y109-L120 HydrophobicContact CE1-CG 4.31Å; Y109-L120 HydrophobicContact CE2-CB 4.07Å; Y109-L120 HydrophobicContact CE2-CD2 4.46Å; Y109-L120 HydrophobicContact CG-CB 3.93Å
110V93.1Very high91.5Very high104 Ų10453 Ų5363%0.6331%0.31SS*.Hα-helixtrans-68-41.9-177.8171.70000112.3I106 Q107 G112I106-V110 HydrophobicContact CG2-CG2 4.22Å; I106-V110 WeakPolarHBondContact O-CB 3.35Å; I106-V110 VanDerWaalsContact O-CG2 3.31Å; I106-V110 WeakPolarHBondContact O-CG2 3.48Å; I106-V110 PolarHBondContact O-N 3.42Å; Q107-V110 PolarHBondContact O-N 2.86Å; V110-G112 PolarHBondContact O-N 2.81Å
111D92.3Very high91.5Very high103 Ų10353.6 Ų53.655%0.55131%0.306SS*.THydrogen-bonded Turntrans-73.2-6178.5-67.5-12.3000112.1Q107 S113Q107-D111 WeakPolarHBondContact CG-OD2 3.44Å; Q107-D111 PolarHBondContact NE2-OD2 3.47Å; Q107-D111 VanDerWaalsContact NE2-OD2 3.08Å; Q107-D111 VanDerWaalsContact O-CB 3.3Å; Q107-D111 WeakPolarHBondContact O-CB 3.4Å; Q107-D111 PolarHBondContact O-N 3.27Å; D111-S113 PolarHBondContact O-N 3.43Å
112G87.5Confident91.4Very high44 Ų4453 Ų5345%0.45430%0.303SS..THydrogen-bonded Turntrans71.58.5179.600000114.6Y109 V110Y109-G112 PolarHBondContact O-N 3.2Å; V110-G112 PolarHBondContact O-N 2.81Å
113S84.5Confident91.3Very high70 Ų7052.9 Ų52.949%0.4930%0.302SS..SBendtrans-65.4-40.9178.8660000112.5Q108 D111Q108-S113 VanDerWaalsContact CA-OG 3.24Å; Q108-S113 WeakPolarHBondContact CA-OG 3.46Å; Q108-S113 WeakPolarHBondContact CB-OG 3.28Å; Q108-S113 PolarHBondContact O-N 2.88Å; Q108-S113 VanDerWaalsContact O-N 3.14Å; Q108-S113 PolarHBondContact O-OG 2.95Å; D111-S113 PolarHBondContact O-N 3.43Å
114L85.2Confident91.3Very high55 Ų5553.4 Ų53.429%0.28830%0.299SS..SBendtrans-137.384.4171.4-83.593.2000108.2P51 Q108 K116P51-L114 HydrophobicContact CB-CD2 3.67Å; P51-L114 HydrophobicContact CG-CD2 3.28Å; Q108-L114 PolarHBondContact O-N 3.5Å; Q108-L114 VanDerWaalsContact O-N 3.08Å; L114-K116 PolarHBondContact O-N 3.27Å
115P83.4Confident91.4Very high83 Ų8351.9 Ų51.954%0.53929%0.288SS..  trans-81.751.7-173.535.9-36.2000110.8
116K89Confident91.5Very high55 Ų5551.6 Ų51.624%0.23929%0.286CS..  trans-96.2127.6176.2-69.4-159.4179-176.30109.9A44 D47 S49 Y109 L114 S118 M119A44-K116 PolarHBondContact O-NZ 3.03Å; D47-K116 CarbonylContact O-C 3.54Å; D47-K116 WeakPolarHBondContact O-CB 3.41Å; D47-K116 VanDerWaalsContact OD1-CA 3.24Å; D47-K116 WeakPolarHBondContact OD1-CA 3.35Å; S49-K116 WeakPolarHBondContact O-CD 3.3Å; S49-K116 PolarHBondContact OG-NZ 3.4Å; Y109-K116 WeakPolarHBondContact CD2-O 3.44Å; L114-K116 PolarHBondContact O-N 3.27Å; K116-S118 PolarHBondContact O-N 3.31Å; K116-S118 VanDerWaalsContact O-N 3.1Å; K116-M119 HydrophobicContact CB-CG 4.12Å; K116-M119 VanDerWaalsContact O-CB 3.27Å; K116-M119 WeakPolarHBondContact O-CB 3.32Å; K116-M119 PolarHBondContact O-N 2.91Å
117S91.7Very high91.6Very high33 Ų3350.7 Ų50.723%0.23129%0.285CS..Hα-helixtrans-55.5-29175.8-73.90000113D47 M119 L120 I121D47-S117 PolarHBondContact O-N 2.89Å; D47-S117 VanDerWaalsContact O-N 3.08Å; D47-S117 PolarHBondContact OD1-N 3.32Å; D47-S117 WeakPolarHBondContact OD2-CB 3.5Å; D47-S117 PolarHBondContact OD2-OG 3.14Å; S117-M119 PolarHBondContact O-N 3.49Å; S117-L120 PolarHBondContact O-N 2.98Å; S117-I121 VanDerWaalsContact O-CG1 3.32Å; S117-I121 WeakPolarHBondContact O-CG1 3.4Å; S117-I121 PolarHBondContact O-N 3.47Å
118S92.3Very high91.7Very high0 Ų050.6 Ų50.60%029%0.285CS..Hα-helixtrans-56.7-37.5173.6620000112.8D47 L48 S49 K116 I121 M122D47-S118 PolarHBondContact O-N 3.22Å; L48-S118 VanDerWaalsContact O-CB 3.31Å; L48-S118 WeakPolarHBondContact O-CB 3.21Å; S49-S118 PolarHBondContact O-OG 3.01Å; K116-S118 PolarHBondContact O-N 3.31Å; K116-S118 VanDerWaalsContact O-N 3.1Å; S118-I121 PolarHBondContact O-N 3.26Å; S118-M122 VanDerWaalsContact O-CB 3.28Å; S118-M122 WeakPolarHBondContact O-CB 3.24Å; S118-M122 PolarHBondContact O-N 3.22Å
119M92.1Very high91.8Very high0 Ų048.8 Ų48.80%028%0.277CS..Hα-helixtrans-63.9-47.7177-62.8-67.3-7700110.9W50 P51 L54 T105 Q108 K116 S117 M122 G123W50-M119 HydrophobicContact CE3-SD 4.25Å; W50-M119 HydrophobicContact CH2-SD 3.7Å; W50-M119 HydrophobicContact CZ2-SD 4.27Å; W50-M119 HydrophobicContact CZ3-SD 3.7Å; P51-M119 HydrophobicContact CG-SD 3.93Å; L54-M119 HydrophobicContact CD1-CE 3.53Å; L54-M119 HydrophobicContact CD1-SD 3.85Å; T105-M119 WeakPolarHBondContact CB-O 3.45Å; T105-M119 HydrophobicContact CG2-CE 3.9Å; T105-M119 HydrophobicContact CG2-SD 4.31Å; Q108-M119 HydrophobicContact CB-CE 3.94Å; K116-M119 HydrophobicContact CB-CG 4.12Å; K116-M119 VanDerWaalsContact O-CB 3.27Å; K116-M119 WeakPolarHBondContact O-CB 3.32Å; K116-M119 PolarHBondContact O-N 2.91Å; S117-M119 PolarHBondContact O-N 3.49Å; M119-M122 PolarHBondContact O-N 3.48Å; M119-G123 PolarHBondContact O-N 2.92Å
120L93.2Very high91.9Very high52 Ų5245.3 Ų45.327%0.27227%0.266SS..Hα-helixtrans-61-48177.2-179.265.2000111.4Y109 S117 M122 G123 I124Y109-L120 HydrophobicContact CD1-CB 4.1Å; Y109-L120 HydrophobicContact CD1-CD1 3.99Å; Y109-L120 HydrophobicContact CD1-CD2 4.35Å; Y109-L120 HydrophobicContact CD1-CG 4.37Å; Y109-L120 HydrophobicContact CD2-CB 3.91Å; Y109-L120 HydrophobicContact CE1-CB 4.26Å; Y109-L120 HydrophobicContact CE1-CD1 4.21Å; Y109-L120 HydrophobicContact CE1-CD2 3.8Å; Y109-L120 HydrophobicContact CE1-CG 4.31Å; Y109-L120 HydrophobicContact CE2-CB 4.07Å; Y109-L120 HydrophobicContact CE2-CD2 4.46Å; Y109-L120 HydrophobicContact CG-CB 3.93Å; S117-L120 PolarHBondContact O-N 2.98Å; L120-M122 VanDerWaalsContact C-N 3.34Å; L120-M122 PolarHBondContact O-N 3.08Å; L120-G123 PolarHBondContact O-N 3.45Å; L120-I124 HydrophobicContact CD1-CD1 4.28Å; L120-I124 HydrophobicContact CG-CD1 4.07Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 3.42Å
121I93.8Very high92Very high63 Ų6344.7 Ų44.732%0.32326%0.258SS..Hα-helixtrans-59.5-47.3179.7-67.5165.5000110.3F38 L48 S117 S118 G123 I124 I125F38-I121 HydrophobicContact CE2-CB 4.2Å; F38-I121 HydrophobicContact CE2-CG2 3.94Å; F38-I121 HydrophobicContact CZ-CB 4.26Å; F38-I121 HydrophobicContact CZ-CD1 3.93Å; F38-I121 HydrophobicContact CZ-CG2 3.9Å; L48-I121 HydrophobicContact CD2-CD1 3.79Å; S117-I121 VanDerWaalsContact O-CG1 3.32Å; S117-I121 WeakPolarHBondContact O-CG1 3.4Å; S117-I121 PolarHBondContact O-N 3.47Å; S118-I121 PolarHBondContact O-N 3.26Å; I121-G123 VanDerWaalsContact C-N 3.3Å; I121-G123 PolarHBondContact O-N 3.33Å; I121-I124 PolarHBondContact O-N 2.93Å; I121-I125 HydrophobicContact CG2-CD1 3.65Å; I121-I125 HydrophobicContact CG2-CG1 4.48Å; I121-I125 WeakPolarHBondContact O-CD1 3.11Å; I121-I125 VanDerWaalsContact O-CG1 3.3Å; I121-I125 WeakPolarHBondContact O-CG1 3.5Å; I121-I125 PolarHBondContact O-N 3.36Å
122M92.3Very high92Very high0 Ų042.3 Ų42.30%025%0.245CC..Hα-helixtrans-65.9-35-179.9-166.754.2161.700112.1L31 W50 A58 S118 M119 L120 I125 N126L31-M122 HydrophobicContact CD2-CE 3.66Å; L31-M122 HydrophobicContact CD2-SD 3.97Å; W50-M122 HydrophobicContact CH2-CB 3.57Å; W50-M122 HydrophobicContact CH2-CG 3.48Å; W50-M122 VanDerWaalsContact CH2-CG 3.48Å; W50-M122 HydrophobicContact CZ2-CG 4.32Å; W50-M122 HydrophobicContact CZ3-CB 3.41Å; W50-M122 VanDerWaalsContact CZ3-CB 3.41Å; W50-M122 HydrophobicContact CZ3-CG 3.76Å; A58-M122 HydrophobicContact CB-CE 3.3Å; S118-M122 VanDerWaalsContact O-CB 3.28Å; S118-M122 WeakPolarHBondContact O-CB 3.24Å; S118-M122 PolarHBondContact O-N 3.22Å; M119-M122 PolarHBondContact O-N 3.48Å; L120-M122 VanDerWaalsContact C-N 3.34Å; L120-M122 PolarHBondContact O-N 3.08Å; M122-I125 PolarHBondContact O-N 3.42Å; M122-N126 WeakPolarHBondContact CG-ND2 3.3Å; M122-N126 WeakPolarHBondContact O-CB 3.31Å; M122-N126 PolarHBondContact O-N 3.31Å; M122-N126 PolarHBondContact O-ND2 3.25Å; M122-N126 PolarHBondContact SD-ND2 3.06Å; M122-N126 VanDerWaalsContact SD-ND2 3.41Å
123G93.3Very high92.3Very high0 Ų040.3 Ų40.30%022%0.224CC..Hα-helixtrans-65-41.3174.800000113.3A102 T105 M119 L120 I121 S127A102-G123 WeakPolarHBondContact CB-O 3.46Å; T105-G123 WeakPolarHBondContact OG1-CA 3Å; T105-G123 PolarHBondContact OG1-N 3.36Å; M119-G123 PolarHBondContact O-N 2.92Å; L120-G123 PolarHBondContact O-N 3.45Å; I121-G123 VanDerWaalsContact C-N 3.3Å; I121-G123 PolarHBondContact O-N 3.33Å; G123-S127 WeakPolarHBondContact O-CB 3.33Å; G123-S127 PolarHBondContact O-N 2.65Å; G123-S127 PolarHBondContact O-OG 2.73Å
124I95.5Very high92.7Very high88 Ų8842.3 Ų42.345%0.45122%0.224SC..Hα-helixtrans-63.6-47.7174.6-67.3166.2000110.4L120 I121 N126 S127 M128L120-I124 HydrophobicContact CD1-CD1 4.28Å; L120-I124 HydrophobicContact CG-CD1 4.07Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 3.42Å; I121-I124 PolarHBondContact O-N 2.93Å; I124-N126 PolarHBondContact O-N 2.94Å; I124-S127 WeakPolarHBondContact O-CB 3.41Å; I124-S127 PolarHBondContact O-N 2.92Å; I124-M128 WeakPolarHBondContact O-CG 3.21Å; I124-M128 PolarHBondContact O-N 2.95Å
125I94.8Very high93.1Very high31 Ų3143.9 Ų43.916%0.15923%0.232CC..Hα-helixtrans-61.1-47179.9-66.6161.1000110.7L31 I34 I121 M122 S127 M128 I129L31-I125 HydrophobicContact CD2-CG2 3.7Å; I34-I125 HydrophobicContact CD1-CD1 3.47Å; I34-I125 VanDerWaalsContact CD1-CD1 3.47Å; I34-I125 HydrophobicContact CG2-CD1 4.11Å; I121-I125 HydrophobicContact CG2-CD1 3.65Å; I121-I125 HydrophobicContact CG2-CG1 4.48Å; I121-I125 WeakPolarHBondContact O-CD1 3.11Å; I121-I125 VanDerWaalsContact O-CG1 3.3Å; I121-I125 WeakPolarHBondContact O-CG1 3.5Å; I121-I125 PolarHBondContact O-N 3.36Å; M122-I125 PolarHBondContact O-N 3.42Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 PolarHBondContact O-N 2.89Å; I125-M128 PolarHBondContact O-N 3.44Å; I125-M128 VanDerWaalsContact O-N 3.16Å; I125-I129 HydrophobicContact CG2-CD1 3.82Å; I125-I129 HydrophobicContact CG2-CG1 4.45Å; I125-I129 WeakPolarHBondContact O-CG1 3.09Å; I125-I129 PolarHBondContact O-N 3.32Å
126N94.4Very high93.5Very high0 Ų040.4 Ų40.40%021%0.209CC..Hα-helixtrans-64-33.2177.7-82-83.7000112.2T98 I101 A102 M122 I124 I129 A130T98-N126 WeakPolarHBondContact O-CB 3.47Å; I101-N126 HydrophobicContact CG2-CB 4.31Å; A102-N126 HydrophobicContact CB-CB 4.01Å; M122-N126 WeakPolarHBondContact CG-ND2 3.3Å; M122-N126 WeakPolarHBondContact O-CB 3.31Å; M122-N126 PolarHBondContact O-N 3.31Å; M122-N126 PolarHBondContact O-ND2 3.25Å; M122-N126 PolarHBondContact SD-ND2 3.06Å; M122-N126 VanDerWaalsContact SD-ND2 3.41Å; I124-N126 PolarHBondContact O-N 2.94Å; N126-I129 PolarHBondContact O-N 2.92Å; N126-A130 WeakPolarHBondContact O-CB 3.43Å; N126-A130 PolarHBondContact O-N 3.48Å
127S95.9Very high93.5Very high38 Ų3838.6 Ų38.627%0.26621%0.205SC..Hα-helixtrans-64-42.3172.8-580000112A102 G123 I124 I125 I129 A130 L131A102-S127 WeakPolarHBondContact CB-OG 3.49Å; G123-S127 WeakPolarHBondContact O-CB 3.33Å; G123-S127 PolarHBondContact O-N 2.65Å; G123-S127 PolarHBondContact O-OG 2.73Å; I124-S127 WeakPolarHBondContact O-CB 3.41Å; I124-S127 PolarHBondContact O-N 2.92Å; I125-S127 VanDerWaalsContact C-N 3.28Å; I125-S127 PolarHBondContact O-N 2.89Å; S127-I129 VanDerWaalsContact C-N 3.34Å; S127-A130 PolarHBondContact O-N 2.87Å; S127-L131 PolarHBondContact O-N 3.01Å
128M95.6Very high93.4Very high113 Ų11341.2 Ų41.256%0.55722%0.216SC*.Hα-helixtrans-66.3-38.3176.9-65.3-58.49900111.7I124 I125 L131 L132I124-M128 WeakPolarHBondContact O-CG 3.21Å; I124-M128 PolarHBondContact O-N 2.95Å; I125-M128 PolarHBondContact O-N 3.44Å; I125-M128 VanDerWaalsContact O-N 3.16Å; M128-L131 PolarHBondContact O-N 3.18Å; M128-L132 WeakPolarHBondContact O-CB 3.39Å; M128-L132 PolarHBondContact O-N 3.36Å
129I94.4Very high93.2Very high11 Ų1145.2 Ų45.26%0.05624%0.237CC..Hα-helixtrans-69.4-38.9176.2-67.8174.2000111.2L31 L65 T98 I125 N126 S127 L131 L132 C133L31-I129 HydrophobicContact CD1-CD1 3.4Å; L31-I129 HydrophobicContact CD2-CD1 3.61Å; L31-I129 HydrophobicContact CG-CD1 3.35Å; L65-I129 HydrophobicContact CD1-CD1 4.41Å; L65-I129 HydrophobicContact CD1-CG2 3.78Å; L65-I129 HydrophobicContact CD2-CG2 3.99Å; L65-I129 HydrophobicContact CG-CG2 4.36Å; T98-I129 HydrophobicContact CG2-CB 4.39Å; T98-I129 HydrophobicContact CG2-CG2 3.73Å; I125-I129 HydrophobicContact CG2-CD1 3.82Å; I125-I129 HydrophobicContact CG2-CG1 4.45Å; I125-I129 WeakPolarHBondContact O-CG1 3.09Å; I125-I129 PolarHBondContact O-N 3.32Å; N126-I129 PolarHBondContact O-N 2.92Å; S127-I129 VanDerWaalsContact C-N 3.34Å; I129-L131 VanDerWaalsContact C-N 3.31Å; I129-L131 PolarHBondContact O-N 2.91Å; I129-L132 WeakPolarHBondContact O-CB 3.46Å; I129-L132 PolarHBondContact O-N 3.28Å; I129-C133 PolarHBondContact O-N 3.49Å; I129-C133 PolarHBondContact O-SG 3.38Å
130A94.5Very high92.9Very high9 Ų945.5 Ų45.57%0.07424%0.238CC..Hα-helixtrans-58.4-46.4173.200000110.5L95 T98 N126 S127 L132 C133 F134L95-A130 HydrophobicContact CD1-CB 4.16Å; L95-A130 WeakPolarHBondContact CD1-O 3.38Å; T98-A130 WeakPolarHBondContact OG1-CA 3.36Å; T98-A130 WeakPolarHBondContact OG1-CB 3.37Å; N126-A130 WeakPolarHBondContact O-CB 3.43Å; N126-A130 PolarHBondContact O-N 3.48Å; S127-A130 PolarHBondContact O-N 2.87Å; A130-L132 VanDerWaalsContact C-N 3.34Å; A130-L132 PolarHBondContact O-N 3.17Å; A130-C133 PolarHBondContact O-N 2.69Å; A130-F134 WeakPolarHBondContact O-CB 3.27Å; A130-F134 PolarHBondContact O-N 3.37Å
131L95.1Very high92.5Very high91 Ų9145.8 Ų45.848%0.47624%0.244SC..Hα-helixtrans-60.8-42.5175.2-178.862.2000112S127 M128 I129 F134 I135S127-L131 PolarHBondContact O-N 3.01Å; M128-L131 PolarHBondContact O-N 3.18Å; I129-L131 VanDerWaalsContact C-N 3.31Å; I129-L131 PolarHBondContact O-N 2.91Å; L131-F134 WeakPolarHBondContact O-CB 3.3Å; L131-F134 PolarHBondContact O-N 3.39Å; L131-I135 HydrophobicContact CD1-CD1 4.25Å; L131-I135 HydrophobicContact CD1-CG1 4.47Å; L131-I135 HydrophobicContact CG-CD1 4.09Å; L131-I135 WeakPolarHBondContact O-CG1 3.08Å; L131-I135 PolarHBondContact O-N 2.93Å
132L93.7Very high91.9Very high53 Ų5345.1 Ų45.128%0.27725%0.248SC..Hα-helixtrans-61.7-44.6175.9-176148.5000111.8V23 L24 M128 I129 A130 F134 I135 H136V23-L132 HydrophobicContact CG1-CD1 3.73Å; V23-L132 HydrophobicContact CG1-CD2 4.35Å; V23-L132 HydrophobicContact CG1-CG 4.42Å; L24-L132 HydrophobicContact CD2-CD2 3.64Å; M128-L132 WeakPolarHBondContact O-CB 3.39Å; M128-L132 PolarHBondContact O-N 3.36Å; I129-L132 WeakPolarHBondContact O-CB 3.46Å; I129-L132 PolarHBondContact O-N 3.28Å; A130-L132 VanDerWaalsContact C-N 3.34Å; A130-L132 PolarHBondContact O-N 3.17Å; L132-F134 VanDerWaalsContact C-N 3.33Å; L132-F134 PolarHBondContact O-N 3.03Å; L132-I135 PolarHBondContact O-N 3Å; L132-H136 VanDerWaalsContact O-CB 3.28Å; L132-H136 WeakPolarHBondContact O-CB 3.4Å; L132-H136 PolarHBondContact O-N 3.16Å
133C93.3Very high91.1Very high1 Ų146.1 Ų46.11%0.00725%0.253CS..Hα-helixtrans-62.9-40.9175.2-65.70000111.1L65 C91 L95 I129 A130 H136 G137L65-C133 VanDerWaalsContact CD2-SG 3.56Å; C91-C133 PolarHBondContact SG-O 2.96Å; L95-C133 HydrophobicContact CB-CB 4.1Å; L95-C133 HydrophobicContact CD1-CB 4.3Å; I129-C133 PolarHBondContact O-N 3.49Å; I129-C133 PolarHBondContact O-SG 3.38Å; A130-C133 PolarHBondContact O-N 2.69Å; C133-H136 PolarHBondContact O-N 3.37Å; C133-G137 PolarHBondContact O-N 2.84Å
134F93.4Very high90Very high112 Ų11248.7 Ų48.749%0.49127%0.265SS..Hα-helixtrans-61.8-47.7177.3-179.2-107.2000112L95 A130 L131 L132 G137 I138L95-F134 HydrophobicContact CD1-CB 4Å; L95-F134 HydrophobicContact CD2-CD2 4.32Å; A130-F134 WeakPolarHBondContact O-CB 3.27Å; A130-F134 PolarHBondContact O-N 3.37Å; L131-F134 WeakPolarHBondContact O-CB 3.3Å; L131-F134 PolarHBondContact O-N 3.39Å; L132-F134 VanDerWaalsContact C-N 3.33Å; L132-F134 PolarHBondContact O-N 3.03Å; F134-G137 PolarHBondContact O-N 2.94Å; F134-I138 HydrophobicContact CD1-CD1 3.9Å; F134-I138 HydrophobicContact CE1-CD1 3.45Å; F134-I138 VanDerWaalsContact CE1-CD1 3.45Å; F134-I138 HydrophobicContact CE2-CD1 4.33Å; F134-I138 HydrophobicContact CZ-CD1 3.7Å; F134-I138 WeakPolarHBondContact O-CG1 3.47Å; F134-I138 PolarHBondContact O-N 2.92Å
135I92.9Very high88.6Confident88 Ų8854.1 Ų54.145%0.45128%0.279SS..Hα-helixtrans-62.4-45.2176-66.6167.5000110.3L131 L132 G137 I138 L139L131-I135 HydrophobicContact CD1-CD1 4.25Å; L131-I135 HydrophobicContact CD1-CG1 4.47Å; L131-I135 HydrophobicContact CG-CD1 4.09Å; L131-I135 WeakPolarHBondContact O-CG1 3.08Å; L131-I135 PolarHBondContact O-N 2.93Å; L132-I135 PolarHBondContact O-N 3Å; I135-G137 VanDerWaalsContact C-N 3.34Å; I135-G137 PolarHBondContact O-N 3.44Å; I135-I138 PolarHBondContact O-N 3.34Å; I135-L139 HydrophobicContact CG2-CD1 4.05Å; I135-L139 HydrophobicContact CG2-CG 4.45Å; I135-L139 WeakPolarHBondContact O-CG 3.31Å; I135-L139 PolarHBondContact O-N 2.72Å
136H91.4Very high87.2Confident11 Ų1157.8 Ų57.85%0.05130%0.299CS..Hα-helixtrans-59.3-44.4177.5-174.453.3000112Y16 A20 T72 L132 C133 I138 L139 L140Y16-H136 AromaticContact CZ-CE1 3.82Å; Y16-H136 AromaticContact CZ-ND1 3.83Å; Y16-H136 PolarHBondContact OH-CE1 3.04Å; Y16-H136 PolarHBondContact OH-ND1 2.95Å; Y16-H136 PolarHBondContact OH-O 3.41Å; A20-H136 WeakPolarHBondContact CB-CE1 3.35Å; T72-H136 PolarHBondContact OG1-NE2 2.91Å; T72-H136 VanDerWaalsContact OG1-NE2 3.1Å; L132-H136 VanDerWaalsContact O-CB 3.28Å; L132-H136 WeakPolarHBondContact O-CB 3.4Å; L132-H136 PolarHBondContact O-N 3.16Å; C133-H136 PolarHBondContact O-N 3.37Å; H136-I138 VanDerWaalsContact C-N 3.35Å; H136-I138 PolarHBondContact O-N 2.85Å; H136-L139 PolarHBondContact O-N 3.42Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.37Å; H136-L140 PolarHBondContact O-N 2.94Å
137G89.7Confident85.5Confident16 Ų1659 Ų5917%0.16531%0.307CS..Hα-helixtrans-61.2-39.917600000113.1C133 F134 I135 C141C133-G137 PolarHBondContact O-N 2.84Å; F134-G137 PolarHBondContact O-N 2.94Å; I135-G137 VanDerWaalsContact C-N 3.34Å; I135-G137 PolarHBondContact O-N 3.44Å; G137-C141 PolarHBondContact O-N 3.39Å; G137-C141 PolarHBondContact O-SG 3.29Å
138I89Confident83.8Confident89 Ų8961.2 Ų61.246%0.45632%0.315SS..Hα-helixtrans-62.8-44.9174.1-69.3167.9000110.7F134 I135 H136 C141 A142F134-I138 HydrophobicContact CD1-CD1 3.9Å; F134-I138 HydrophobicContact CE1-CD1 3.45Å; F134-I138 VanDerWaalsContact CE1-CD1 3.45Å; F134-I138 HydrophobicContact CE2-CD1 4.33Å; F134-I138 HydrophobicContact CZ-CD1 3.7Å; F134-I138 WeakPolarHBondContact O-CG1 3.47Å; F134-I138 PolarHBondContact O-N 2.92Å; I135-I138 PolarHBondContact O-N 3.34Å; H136-I138 VanDerWaalsContact C-N 3.35Å; H136-I138 PolarHBondContact O-N 2.85Å; I138-C141 PolarHBondContact O-N 3.47Å; I138-A142 PolarHBondContact O-N 2.88Å
139L88.2Confident81.9Confident84 Ų8460.6 Ų60.644%0.4431%0.314SS..Hα-helixtrans-64.3-43.9179.8-69.1173.4000111.6Y16 I135 H136 C141 A142 D143Y16-L139 HydrophobicContact CE2-CB 3.69Å; Y16-L139 HydrophobicContact CE2-CD1 3.79Å; Y16-L139 HydrophobicContact CE2-CG 4.34Å; Y16-L139 WeakPolarHBondContact OH-CB 3.41Å; I135-L139 HydrophobicContact CG2-CD1 4.05Å; I135-L139 HydrophobicContact CG2-CG 4.45Å; I135-L139 WeakPolarHBondContact O-CG 3.31Å; I135-L139 PolarHBondContact O-N 2.72Å; H136-L139 PolarHBondContact O-N 3.42Å; L139-C141 VanDerWaalsContact C-N 3.31Å; L139-C141 PolarHBondContact O-N 2.94Å; L139-A142 PolarHBondContact O-N 3.41Å; L139-A142 VanDerWaalsContact O-N 3.16Å; L139-D143 WeakPolarHBondContact O-CB 3.47Å; L139-D143 PolarHBondContact O-N 3.08Å
140L86.7Confident80.1Confident6 Ų662.7 Ų62.73%0.03133%0.327CS..Hα-helixtrans-58.8-41.3173-76.3172.5000112Y16 T72 S87 V88 C91 H136 A142 D143 F144Y16-L140 HydrophobicContact CE1-CD2 4.01Å; Y16-L140 PolarHBondContact OH-N 3.38Å; T72-L140 HydrophobicContact CG2-CD2 4.48Å; S87-L140 WeakPolarHBondContact OG-CD1 3.48Å; S87-L140 WeakPolarHBondContact OG-CD2 3.44Å; V88-L140 HydrophobicContact CG2-CB 3.88Å; C91-L140 HydrophobicContact CB-CD1 4.48Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.37Å; H136-L140 PolarHBondContact O-N 2.94Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 2.92Å; L140-D143 PolarHBondContact O-N 3.42Å; L140-F144 VanDerWaalsContact O-CB 3.28Å; L140-F144 WeakPolarHBondContact O-CB 3.18Å; L140-F144 PolarHBondContact O-N 2.9Å
141C84.6Confident78.3Confident58 Ų5866 Ų6639%0.39234%0.34SS..Hα-helixtrans-66.8-35.1177.4-68.70000112.6G137 I138 L139 R145G137-C141 PolarHBondContact O-N 3.39Å; G137-C141 PolarHBondContact O-SG 3.29Å; I138-C141 PolarHBondContact O-N 3.47Å; L139-C141 VanDerWaalsContact C-N 3.31Å; L139-C141 PolarHBondContact O-N 2.94Å; C141-R145 WeakPolarHBondContact O-CG 3.46Å; C141-R145 PolarHBondContact O-N 2.82Å
142A81.5Confident76.5Confident49 Ų4965 Ų6541%0.40534%0.344SS..Hα-helixtrans-68.9-43.4175.700000111.2I138 L139 L140 R145 L146I138-A142 PolarHBondContact O-N 2.88Å; L139-A142 PolarHBondContact O-N 3.41Å; L139-A142 VanDerWaalsContact O-N 3.16Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 2.92Å; A142-R145 PolarHBondContact O-N 3.18Å; A142-L146 WeakPolarHBondContact O-CG 3.48Å; A142-L146 PolarHBondContact O-N 3.17Å; A142-L146 VanDerWaalsContact O-N 3.1Å
143D75.7Confident74.8Confident21 Ų2169.7 Ų69.711%0.11236%0.364CS..Hα-helixtrans-65.3-45.1177.6-165.152.3000111.7H17 L139 L140 R145 L146 C147H17-D143 IonicContact CE1-OD2 3.96Å; H17-D143 IonicContact NE2-OD2 3.32Å; H17-D143 PolarHBondContact NE2-OD2 2.98Å; L139-D143 WeakPolarHBondContact O-CB 3.47Å; L139-D143 PolarHBondContact O-N 3.08Å; L140-D143 PolarHBondContact O-N 3.42Å; D143-R145 VanDerWaalsContact C-N 3.27Å; D143-R145 PolarHBondContact O-N 3.25Å; D143-L146 WeakPolarHBondContact O-CA 3.48Å; D143-L146 WeakPolarHBondContact O-CB 3.41Å; D143-L146 PolarHBondContact O-N 3.5Å; D143-C147 PolarHBondContact O-N 2.88Å
144F70.6Confident73Confident54 Ų5473.5 Ų73.524%0.23739%0.385CS..Hα-helixtrans-56-40.8174.5-173.8-111.6000112.5D81 D84 L140 C147 I148D81-F144 HydrophobicContact CB-CE2 4.44Å; D84-F144 HydrophobicContact CB-CD2 3.51Å; D84-F144 HydrophobicContact CB-CE2 3.86Å; L140-F144 VanDerWaalsContact O-CB 3.28Å; L140-F144 WeakPolarHBondContact O-CB 3.18Å; L140-F144 PolarHBondContact O-N 2.9Å; F144-C147 PolarHBondContact O-N 2.87Å; F144-I148 HydrophobicContact CD1-CD1 3.76Å; F144-I148 HydrophobicContact CE1-CD1 3.38Å; F144-I148 HydrophobicContact CE1-CG1 4.47Å; F144-I148 HydrophobicContact CE2-CD1 4.33Å; F144-I148 HydrophobicContact CG-CD1 4.4Å; F144-I148 HydrophobicContact CZ-CD1 3.72Å; F144-I148 HydrophobicContact CZ-CG1 4.48Å; F144-I148 WeakPolarHBondContact O-CG1 3.36Å; F144-I148 PolarHBondContact O-N 2.9Å
145R66.1Low70.8Confident201 Ų20172.2 Ų72.276%0.75839%0.39SS*.Hα-helixtrans-66.7-37.1175-78.9-171177.9-116.31.6112.7C141 A142 D143 N149C141-R145 WeakPolarHBondContact O-CG 3.46Å; C141-R145 PolarHBondContact O-N 2.82Å; A142-R145 PolarHBondContact O-N 3.18Å; D143-R145 VanDerWaalsContact C-N 3.27Å; D143-R145 PolarHBondContact O-N 3.25Å; R145-N149 WeakPolarHBondContact O-CB 3.37Å; R145-N149 PolarHBondContact O-N 3.08Å
146L64.6Low68.8Low108 Ų10873.1 Ų73.157%0.56540%0.401SS*.Hα-helixtrans-67.2-45.9175.8-72.1166.4000110.7A142 D143 I148 N149 V150A142-L146 WeakPolarHBondContact O-CG 3.48Å; A142-L146 PolarHBondContact O-N 3.17Å; A142-L146 VanDerWaalsContact O-N 3.1Å; D143-L146 WeakPolarHBondContact O-CA 3.48Å; D143-L146 WeakPolarHBondContact O-CB 3.41Å; D143-L146 PolarHBondContact O-N 3.5Å; L146-I148 PolarHBondContact O-N 3.3Å; L146-N149 PolarHBondContact O-N 3.1Å; L146-N149 VanDerWaalsContact O-N 3.08Å; L146-V150 WeakPolarHBondContact O-CG2 3.48Å; L146-V150 PolarHBondContact O-N 3.47Å
147C58.3Low66.6Low26 Ų2678 Ų7818%0.17643%0.434CS..Hα-helixtrans-57.5-44.8177-74.30000112.5D143 F144 N149 V150 K151D143-C147 PolarHBondContact O-N 2.88Å; F144-C147 PolarHBondContact O-N 2.87Å; C147-N149 VanDerWaalsContact C-N 3.32Å; C147-N149 PolarHBondContact O-N 2.77Å; C147-V150 PolarHBondContact O-N 3.29Å; C147-K151 WeakPolarHBondContact O-CB 3.08Å; C147-K151 WeakPolarHBondContact O-CG 3.49Å; C147-K151 PolarHBondContact O-N 2.99Å
148I59.8Low64.5Low85 Ų8581.7 Ų81.744%0.43646%0.463SS..Hα-helixtrans-60.9-42.1175.2-70.8171.1000111.3F144 L146 K151 A152F144-I148 HydrophobicContact CD1-CD1 3.76Å; F144-I148 HydrophobicContact CE1-CD1 3.38Å; F144-I148 HydrophobicContact CE1-CG1 4.47Å; F144-I148 HydrophobicContact CE2-CD1 4.33Å; F144-I148 HydrophobicContact CG-CD1 4.4Å; F144-I148 HydrophobicContact CZ-CD1 3.72Å; F144-I148 HydrophobicContact CZ-CG1 4.48Å; F144-I148 WeakPolarHBondContact O-CG1 3.36Å; F144-I148 PolarHBondContact O-N 2.9Å; L146-I148 PolarHBondContact O-N 3.3Å; I148-K151 PolarHBondContact O-N 2.93Å; I148-A152 PolarHBondContact O-N 2.84Å
149N56.7Low62.2Low100 Ų10084.9 Ų84.954%0.53548%0.478SS..Hα-helixtrans-70.3-36.8-176.7-143.21.4000112R145 L146 C147 A152 H153R145-N149 WeakPolarHBondContact O-CB 3.37Å; R145-N149 PolarHBondContact O-N 3.08Å; L146-N149 PolarHBondContact O-N 3.1Å; L146-N149 VanDerWaalsContact O-N 3.08Å; C147-N149 VanDerWaalsContact C-N 3.32Å; C147-N149 PolarHBondContact O-N 2.77Å; N149-A152 PolarHBondContact O-N 3.22Å; N149-H153 PolarHBondContact O-N 3.42Å
150V56.2Low60.1Low55 Ų5589.4 Ų89.433%0.33350%0.497SS..Hα-helixtrans-67.5-44.9174.5175.50000110.8L146 C147 A152 H153 D154L146-V150 WeakPolarHBondContact O-CG2 3.48Å; L146-V150 PolarHBondContact O-N 3.47Å; C147-V150 PolarHBondContact O-N 3.29Å; V150-A152 VanDerWaalsContact C-N 3.27Å; V150-A152 PolarHBondContact O-N 2.9Å; V150-H153 PolarHBondContact O-N 3.44Å; V150-D154 PolarHBondContact O-N 3.4Å
151K56.5Low58.2Low79 Ų7993.6 Ų93.634%0.34352%0.522SS..Hα-helixtrans-61-34.6177-75.5177.2177.6177.30112.8D81 C147 I148 H153D81-K151 IonicContact OD1-NZ 2.65Å; D81-K151 PolarHBondContact OD1-NZ 2.62Å; D81-K151 IonicContact OD2-NZ 2.9Å; D81-K151 PolarHBondContact OD2-NZ 2.86Å; C147-K151 WeakPolarHBondContact O-CB 3.08Å; C147-K151 WeakPolarHBondContact O-CG 3.49Å; C147-K151 PolarHBondContact O-N 2.99Å; I148-K151 PolarHBondContact O-N 2.93Å; K151-H153 VanDerWaalsContact C-N 3.3Å; K151-H153 PolarHBondContact O-N 3.32Å
152A58Low56.4Low68 Ų6894.5 Ų94.556%0.56253%0.528SS*.Hα-helixtrans-68.2-27.9175.100000113.2I148 N149 V150I148-A152 PolarHBondContact O-N 2.84Å; N149-A152 PolarHBondContact O-N 3.22Å; V150-A152 VanDerWaalsContact C-N 3.27Å; V150-A152 PolarHBondContact O-N 2.9Å
153H57.7Low55Low152 Ų15299.3 Ų99.370%0.70455%0.545SS*.Hα-helixtrans-91-20.5178.1-90.1-72.4000114.2N149 V150 K151N149-H153 PolarHBondContact O-N 3.42Å; V150-H153 PolarHBondContact O-N 3.44Å; K151-H153 VanDerWaalsContact C-N 3.3Å; K151-H153 PolarHBondContact O-N 3.32Å
154D55.1Low53.7Low81 Ų81100.2 Ų100.243%0.43355%0.553SS.*  trans-100.327.5176.8-86.6-37.8000113.2K6 V150 P156K6-D154 IonicContact NZ-OD1 2.6Å; K6-D154 PolarHBondContact NZ-OD1 2.91Å; K6-D154 IonicContact NZ-OD2 2.9Å; K6-D154 PolarHBondContact NZ-OD2 3.48Å; V150-D154 PolarHBondContact O-N 3.4Å; D154-P156 WeakPolarHBondContact O-CD 3.24Å
155S48.2Very low52.7Low85 Ų85105.5 Ų105.559%0.59458%0.575SS**PPolyproline II helixtrans-52.2116.8161.748.90000107.2
156P49.6Very low52.2Low107 Ų107101.4 Ų101.470%0.69557%0.568SS**PPolyproline II helixtrans-56142.8-175.622.4-31.4000107.3D154 A158D154-P156 WeakPolarHBondContact O-CD 3.24Å; P156-A158 PolarHBondContact O-N 2.98Å
157P45.1Very low51.6Low113 Ų11399.7 Ų99.773%0.73456%0.561SS**PPolyproline II helixtrans-50.2127.3163.723.9-30.8000105.3M159P157-M159 PolarHBondContact O-N 2.99Å
158A45.4Very low51.1Low95 Ų95105.4 Ų105.479%0.78559%0.59SS**  trans-59.986166.300000105.3P156 E160P156-A158 PolarHBondContact O-N 2.98Å; A158-E160 PolarHBondContact O-N 3.22Å
159M42.4Very low50.8Low156 Ų156108.7 Ų108.777%0.76860%0.603SS**  trans-70.390.8164.2-169.2178.2-88.800102.2P157 V161P157-M159 PolarHBondContact O-N 2.99Å; M159-V161 HydrophobicContact CG-CG2 3.98Å; M159-V161 PolarHBondContact O-N 3.4Å; M159-V161 HydrophobicContact SD-CG2 4.2Å
160E43.1Very low50.7Low178 Ų178112.2 Ų112.283%0.83262%0.622SS**  trans-56.283.6154.3-70.2-175.9166.900105.1A158 P162A158-E160 PolarHBondContact O-N 3.22Å; E160-P162 VanDerWaalsContact O-CD 3.22Å; E160-P162 WeakPolarHBondContact O-CD 3.32Å
161V47.3Very low50.7Low94 Ų94113.9 Ų113.957%0.5765%0.65SS**  trans-62.4118.2160.3-176.50000103M159 I163M159-V161 HydrophobicContact CG-CG2 3.98Å; M159-V161 PolarHBondContact O-N 3.4Å; M159-V161 HydrophobicContact SD-CG2 4.2Å; V161-I163 PolarHBondContact O-N 2.97Å
162P46.8Very low50.5Low77 Ų77113.1 Ų113.150%0.566%0.655SS.*  trans-61.897171.225-30.1000105.9E160 C164 N179E160-P162 VanDerWaalsContact O-CD 3.22Å; E160-P162 WeakPolarHBondContact O-CD 3.32Å; P162-C164 PolarHBondContact O-N 2.74Å; P162-N179 HydrophobicContact CB-CB 4.18Å
163I52.7Low50.2Low150 Ų150115.1 Ų115.177%0.76966%0.66SS**  trans-66.9108.2167.3-60.2176000103.4V161 K165V161-I163 PolarHBondContact O-N 2.97Å; I163-K165 PolarHBondContact O-N 2.63Å
164C46.7Very low50Low41 Ų41113.7 Ų113.728%0.27766%0.657SS.*  trans-48.1115.5170.3-84.70000107.6P162 I166 L175P162-C164 PolarHBondContact O-N 2.74Å; C164-I166 PolarHBondContact O-N 2.86Å; C164-L175 HydrophobicContact CB-CD2 4.47Å
165K51.1Low50Low164 Ų164115.1 Ų115.171%0.71366%0.664SS**  trans-69.999.7178.3-168.8-179.4-178-178.20106.4I163 T167I163-K165 PolarHBondContact O-N 2.63Å; K165-T167 HydrophobicContact CD-CG2 4.4Å; K165-T167 HydrophobicContact CG-CG2 4.28Å; K165-T167 PolarHBondContact O-N 2.99Å
166I54.1Low50.4Low116 Ų116115.3 Ų115.360%0.59566%0.658SS**  trans-71.298.7172.1-56.5172.4000106.7C164 L168C164-I166 PolarHBondContact O-N 2.86Å; I166-L168 HydrophobicContact CG2-CD1 4.48Å
167T51.9Low50.8Low71 Ų71115.3 Ų115.344%0.43665%0.652SS.*EExtended strand (participates in β ladder)trans-87.5114.6167.1430000108.7K165 E169K165-T167 HydrophobicContact CD-CG2 4.4Å; K165-T167 HydrophobicContact CG-CG2 4.28Å; K165-T167 PolarHBondContact O-N 2.99Å; T167-E169 PolarHBondContact O-N 2.89Å
168L48.5Very low51.5Low147 Ų147115.1 Ų115.177%0.7765%0.649SS**EExtended strand (participates in β ladder)trans-80.6103.8166.9-81.7114.9000108.7I166I166-L168 HydrophobicContact CG2-CD1 4.48Å
169E53Low51.7Low154 Ų154116 Ų11672%0.7264%0.641SS**EExtended strand (participates in β ladder)trans-111.8124.2161.4-82.5-170134.900109.2T167 G171 S172T167-E169 PolarHBondContact O-N 2.89Å; E169-G171 PolarHBondContact O-N 3.24Å; E169-G171 VanDerWaalsContact O-N 3.14Å; E169-S172 PolarHBondContact O-N 3.01Å; E169-S172 PolarHBondContact O-OG 3.07Å
170D55.2Low52Low174 Ų174112 Ų11293%0.9363%0.627SS**THydrogen-bonded Turntrans37.958.3166.2-70.8-19.4000116.6S172D170-S172 VanDerWaalsContact C-N 3.31Å; D170-S172 PolarHBondContact O-N 3.24Å
171G57.3Low52.4Low90 Ų90112.5 Ų112.593%0.92863%0.632SS**THydrogen-bonded Turntrans75.711.9166.400000115.7E169E169-G171 PolarHBondContact O-N 3.24Å; E169-G171 VanDerWaalsContact O-N 3.14Å
172S50.9Low52.6Low63 Ų63115.2 Ų115.244%0.44164%0.643SS.*EExtended strand (participates in β ladder)trans-122.7134.3172.768.30000111.2E169 D170E169-S172 PolarHBondContact O-N 3.01Å; E169-S172 PolarHBondContact O-OG 3.07Å; D170-S172 VanDerWaalsContact C-N 3.31Å; D170-S172 PolarHBondContact O-N 3.24Å
173V52.2Low52.8Low109 Ų109117 Ų11766%0.66166%0.658SS**EExtended strand (participates in β ladder)trans-92.4105.9172.1179.60000107
174L53.2Low52.2Low123 Ų123116.3 Ų116.364%0.64466%0.656SS**EExtended strand (participates in β ladder)trans-98.3118.9169.8-96.3150.3000108.5
175L55.8Low52.3Low110 Ų110122 Ų12258%0.57668%0.683SS**  trans-80.2117.4165.6-84.9150000107.3C164 D177C164-L175 HydrophobicContact CB-CD2 4.47Å; L175-D177 PolarHBondContact O-N 3.14Å; L175-D177 VanDerWaalsContact O-N 3.15Å
176D57Low51.7Low89 Ų89124.7 Ų124.748%0.47671%0.713SS.*  trans-79.190.8171.6-170.98.9000108.7T178D176-T178 VanDerWaalsContact CG-OG1 3.23Å; D176-T178 PolarHBondContact O-N 3.27Å; D176-T178 PolarHBondContact OD1-N 3.22Å; D176-T178 PolarHBondContact OD1-OG1 2.83Å; D176-T178 PolarHBondContact OD2-OG1 3.1Å
177D57.7Low51.6Low107 Ų107125.2 Ų125.257%0.57272%0.719SS**G310 helixtrans-74.64.7-178.4-72.8-34.3000113.3L175 N179 C180L175-D177 PolarHBondContact O-N 3.14Å; L175-D177 VanDerWaalsContact O-N 3.15Å; D177-N179 PolarHBondContact O-N 2.54Å; D177-C180 PolarHBondContact O-N 3.41Å
178T58.4Low51.5Low110 Ų110128 Ų12868%0.67573%0.734SS**G310 helixtrans-67-9.2-178.448.70000114.8D176D176-T178 VanDerWaalsContact CG-OG1 3.23Å; D176-T178 PolarHBondContact O-N 3.27Å; D176-T178 PolarHBondContact OD1-N 3.22Å; D176-T178 PolarHBondContact OD1-OG1 2.83Å; D176-T178 PolarHBondContact OD2-OG1 3.1Å
179N51.6Low51.7Low114 Ų114126.9 Ų126.961%0.6173%0.732SS**G310 helixtrans-119.69.1175.2-76.6-28.7000114.3P162 D177 M181P162-N179 HydrophobicContact CB-CB 4.18Å; D177-N179 PolarHBondContact O-N 2.54Å; N179-M181 PolarHBondContact O-N 2.93Å
180C48.3Very low51.6Low71 Ų71125.4 Ų125.448%0.4873%0.732SS.*  trans-80.998.6172.6-710000108.6D177 D182D177-C180 PolarHBondContact O-N 3.41Å; C180-D182 PolarHBondContact O-N 3.16Å; C180-D182 VanDerWaalsContact O-N 3.13Å
181M51.6Low51.4Low188 Ų188122.3 Ų122.393%0.92672%0.72SS**  trans-59.6116169.2-99.2-169.2144.900109.4N179 S183N179-M181 PolarHBondContact O-N 2.93Å; M181-S183 PolarHBondContact O-N 3.08Å; M181-S183 VanDerWaalsContact O-N 3.13Å
182D50Low51Low151 Ų151124.5 Ų124.581%0.80771%0.706SS**  trans-56.2112.7168.2-96.9-35.7000109.2C180 N184C180-D182 PolarHBondContact O-N 3.16Å; C180-D182 VanDerWaalsContact O-N 3.13Å; D182-N184 PolarHBondContact O-N 3.21Å
183S51.7Low51Low115 Ų115128.9 Ų128.980%0.80473%0.725SS**SBendtrans-77.157.6172.557.60000110.7M181M181-S183 PolarHBondContact O-N 3.08Å; M181-S183 VanDerWaalsContact O-N 3.13Å
184N41Very low50.9Low136 Ų136130.4 Ų130.473%0.72773%0.73SS**  trans-15278.5173-88.5-26000109.6D182D182-N184 PolarHBondContact O-N 3.21Å
185D48Very low50.7Low161 Ų161131 Ų13186%0.86174%0.737SS**  trans-161.1112.3151.4-95.1-29.7000110
186V38Very low50.3Low220 Ų220132.9 Ų132.9100%1.33375%0.752SS**  trans81.10170.5-160.90000118.9

Retrieved 186 of 186 residues in 161.8 ms (Link to these results)

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