G4VAG9_SCHMA Loading...

Putative heterogeneous nuclear ribonucleoprotein k

AlphaFold DB , UniProt , Accession G4VAG9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 371 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37Very low66.8Low237 Ų237115.9 Ų115.9100%1.16755%0.553SS**  0102.30-157.7159.817300106.3R3M1-R3 PolarHBondContact O-N 3.05Å
2R51.1Low69.1Low215 Ų215107.3 Ų107.381%0.81151%0.511SS*.  trans-69118.8-175.3-73.8-177.4176.6172.3-0.2108
3R48.2Very low71.1Confident215 Ų21599 Ų9981%0.81147%0.472SS*.  trans-81.8126.4-179.9-70.1-174.7-173.7-136.62.4109.2M1 S62M1-R3 PolarHBondContact O-N 3.05Å; R3-S62 PolarHBondContact O-OG 2.78Å
4G51.7Low72.8Confident38 Ų3892 Ų9239%0.39244%0.438SS..  trans100.692.2170.600000112.9
5E55.4Low74.1Confident204 Ų20486.5 Ų86.595%0.95341%0.413SS*.  trans-95.3120.5165.3-159.2168.8-157.900106.3
6G62.4Low75.1Confident31 Ų3182.6 Ų82.632%0.3240%0.397SS..  trans-160.6177.7-176.700000112.9K8 D59G6-K8 PolarHBondContact O-N 3.22Å; G6-D59 PolarHBondContact N-OD1 2.92Å; G6-D59 VanDerWaalsContact O-OD1 3.13Å
7P74.6Confident75.8Confident54 Ų5480.6 Ų80.635%0.35139%0.392SS..  trans-62.1138.3173.126-32.2000109.9V9 L60 E152P7-V9 PolarHBondContact O-N 2.78Å; P7-L60 HydrophobicContact CG-CB 4.44Å; P7-L60 PolarHBondContact O-N 3.25Å; P7-L60 VanDerWaalsContact O-N 3.16Å; P7-E152 WeakPolarHBondContact CB-OE1 3.42Å
8K82.6Confident76.4Confident170 Ų17085.1 Ų85.174%0.73941%0.408SS*.EExtended strand (participates in β ladder)trans-75.1123174.4-70.6-173177.1-176.10109.2G6G6-K8 PolarHBondContact O-N 3.22Å
9V88.4Confident77.1Confident13 Ų1381.4 Ų81.48%0.07939%0.394CS..EExtended strand (participates in β ladder)trans-129141.4-178.3-63.60000110.8P7 L11 D57 G58 L60P7-V9 PolarHBondContact O-N 2.78Å; V9-L11 HydrophobicContact CB-CG 4.38Å; V9-L11 HydrophobicContact CG2-CD1 4.19Å; V9-L11 HydrophobicContact CG2-CG 4.13Å; V9-D57 WeakPolarHBondContact O-CA 3.45Å; V9-G58 PolarHBondContact N-O 3.33Å; V9-G58 PolarHBondContact O-N 3.31Å; V9-L60 HydrophobicContact CG2-CB 3.93Å; V9-L60 HydrophobicContact CG2-CD1 4.19Å
10E90.6Very high77.7Confident90 Ų9077.4 Ų77.442%0.42137%0.374SS..EExtended strand (participates in β ladder)trans-104.4103.7169.9-174.7-159.314500108.4V55 L56 D57 R160E10-V55 HydrophobicContact CG-CG1 4.32Å; E10-L56 CarbonylContact C-O 3.54Å; E10-L56 WeakPolarHBondContact CA-O 3.42Å; E10-D57 HydrophobicContact CG-CB 4.38Å; E10-R160 IonicContact OE1-CZ 3.17Å; E10-R160 IonicContact OE1-NH2 3.33Å; E10-R160 PolarHBondContact OE1-NH2 3.21Å; E10-R160 IonicContact OE2-NH1 3.66Å; E10-R160 IonicContact OE2-NH2 2.69Å
11L93.1Very high78.2Confident8 Ų875.7 Ų75.74%0.04238%0.377CS..EExtended strand (participates in β ladder)trans-110.8139.9179.1-62.5179.9000110.8V9 F13 L56 L60 V63 L86 A148 L151V9-L11 HydrophobicContact CB-CG 4.38Å; V9-L11 HydrophobicContact CG2-CD1 4.19Å; V9-L11 HydrophobicContact CG2-CG 4.13Å; L11-F13 HydrophobicContact CB-CD2 4.44Å; L11-F13 HydrophobicContact CB-CE2 3.48Å; L11-F13 VanDerWaalsContact CB-CE2 3.48Å; L11-F13 HydrophobicContact CB-CZ 3.82Å; L11-F13 HydrophobicContact CD1-CE2 4.47Å; L11-F13 HydrophobicContact CD1-CZ 4.08Å; L11-L56 PolarHBondContact N-O 3.27Å; L11-L56 PolarHBondContact O-N 3.09Å; L11-L60 HydrophobicContact CD1-CD1 4.4Å; L11-V63 HydrophobicContact CD1-CG1 4.29Å; L11-L86 HydrophobicContact CB-CD1 4.35Å; L11-L86 HydrophobicContact CD2-CD1 4.37Å; L11-A148 HydrophobicContact CD1-CB 4.22Å; L11-L151 HydrophobicContact CD2-CD1 4.15Å
12R94.7Very high80.7Confident12 Ų1266.9 Ų66.95%0.04534%0.337CS..EExtended strand (participates in β ladder)trans-122.5129.9-178-62.6-177.8-68.1138.80.2109.3L54 V55 L86 L87 D128 N162R12-L54 CarbonylContact C-O 3.54Å; R12-L54 WeakPolarHBondContact CA-O 3.38Å; R12-V55 HydrophobicContact CG-CB 4.4Å; R12-V55 HydrophobicContact CG-CG1 4.04Å; R12-V55 HydrophobicContact CG-CG2 4.05Å; R12-L86 WeakPolarHBondContact O-CD1 3.28Å; R12-L87 HydrophobicContact CB-CB 4.06Å; R12-L87 WeakPolarHBondContact O-CB 3.45Å; R12-L87 PolarHBondContact O-N 2.91Å; R12-D128 IonicContact CZ-OD1 3.15Å; R12-D128 IonicContact CZ-OD2 2.77Å; R12-D128 IonicContact NH1-OD1 3.16Å; R12-D128 IonicContact NH1-OD2 2.65Å; R12-D128 PolarHBondContact NH1-OD2 3.02Å; R12-D128 VanDerWaalsContact NH2-CG 3.32Å; R12-D128 IonicContact NH2-OD1 2.85Å; R12-D128 PolarHBondContact NH2-OD1 3.21Å; R12-D128 IonicContact NH2-OD2 3.69Å; R12-D128 PolarHBondContact NH2-OD2 3.45Å; R12-N162 PolarHBondContact NH1-OD1 3.38Å; R12-N162 PolarHBondContact NH2-OD1 3.08Å
13F95.1Very high82.5Confident0 Ų056.9 Ų56.90%030%0.299CS..EExtended strand (participates in β ladder)trans-122.1143.7-175.3-60.5-92.1000110.3L11 I15 V53 L54 L56 F67 L84 R85 L86 L144L11-F13 HydrophobicContact CB-CD2 4.44Å; L11-F13 HydrophobicContact CB-CE2 3.48Å; L11-F13 VanDerWaalsContact CB-CE2 3.48Å; L11-F13 HydrophobicContact CB-CZ 3.82Å; L11-F13 HydrophobicContact CD1-CE2 4.47Å; L11-F13 HydrophobicContact CD1-CZ 4.08Å; F13-I15 HydrophobicContact CB-CG2 4.32Å; F13-V53 CarbonylContact O-C 3.58Å; F13-V53 WeakPolarHBondContact O-CA 3.34Å; F13-L54 HydrophobicContact CB-CB 4.29Å; F13-L54 PolarHBondContact N-O 3.44Å; F13-L54 PolarHBondContact O-N 3.49Å; F13-L56 HydrophobicContact CD2-CD1 4.37Å; F13-L56 HydrophobicContact CE2-CD1 4.07Å; F13-F67 HydrophobicContact CB-CZ 4.47Å; F13-F67 HydrophobicContact CD1-CE1 4.49Å; F13-F67 HydrophobicContact CD1-CE2 4.28Å; F13-F67 AromaticContact CD1-CZ 3.75Å; F13-F67 HydrophobicContact CD1-CZ 3.75Å; F13-F67 AromaticContact CD2-CE2 3.89Å; F13-F67 HydrophobicContact CD2-CE2 3.89Å; F13-F67 AromaticContact CD2-CZ 3.51Å; F13-F67 HydrophobicContact CD2-CZ 3.51Å; F13-F67 AromaticContact CE1-CE2 3.78Å; F13-F67 HydrophobicContact CE1-CE2 3.78Å; F13-F67 AromaticContact CE1-CZ 3.73Å; F13-F67 HydrophobicContact CE1-CZ 3.73Å; F13-F67 AromaticContact CE2-CE2 3.35Å; F13-F67 HydrophobicContact CE2-CE2 3.35Å; F13-F67 AromaticContact CE2-CZ 3.5Å; F13-F67 HydrophobicContact CE2-CZ 3.5Å; F13-F67 HydrophobicContact CG-CE2 4.32Å; F13-F67 AromaticContact CG-CZ 3.63Å; F13-F67 HydrophobicContact CG-CZ 3.63Å; F13-F67 HydrophobicContact CZ-CD2 4.31Å; F13-F67 AromaticContact CZ-CE2 3.29Å; F13-F67 HydrophobicContact CZ-CE2 3.29Å; F13-F67 AromaticContact CZ-CZ 3.62Å; F13-F67 HydrophobicContact CZ-CZ 3.62Å; F13-L84 HydrophobicContact CD1-CD1 3.84Å; F13-L84 HydrophobicContact CD1-CD2 4.36Å; F13-L84 HydrophobicContact CD1-CG 4.07Å; F13-L84 HydrophobicContact CE1-CD1 4.26Å; F13-L84 HydrophobicContact CE1-CD2 4.01Å; F13-L84 HydrophobicContact CE1-CG 4.23Å; F13-R85 CarbonylContact C-O 3.57Å; F13-R85 VanDerWaalsContact CA-O 3.24Å; F13-R85 WeakPolarHBondContact CA-O 3.31Å; F13-L86 HydrophobicContact CD1-CB 4.47Å; F13-L86 HydrophobicContact CD1-CD1 3.9Å; F13-L86 HydrophobicContact CE1-CB 4.48Å; F13-L86 HydrophobicContact CE1-CD1 3.51Å; F13-L86 HydrophobicContact CE2-CD1 4.33Å; F13-L86 HydrophobicContact CG-CD1 4.47Å; F13-L86 HydrophobicContact CZ-CD1 3.74Å; F13-L144 HydrophobicContact CE1-CD1 3.83Å; F13-L144 HydrophobicContact CE1-CD2 4.22Å; F13-L144 HydrophobicContact CZ-CD1 4.03Å; F13-L144 HydrophobicContact CZ-CD2 4.15Å
14L94.2Very high84.5Confident1 Ų148.7 Ų48.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-100.3105.7173.6-171.662.7000109.1E51 V53 R85 L87 V130 Y163 Y176 W179L14-E51 HydrophobicContact CD1-CB 3.98Å; L14-E51 HydrophobicContact CD1-CG 4.16Å; L14-E51 HydrophobicContact CG-CB 4.49Å; L14-V53 HydrophobicContact CD1-CG2 4.49Å; L14-R85 HydrophobicContact CB-CB 4.18Å; L14-R85 PolarHBondContact N-O 3.24Å; L14-R85 WeakPolarHBondContact O-CB 3.47Å; L14-L87 HydrophobicContact CB-CD1 4.14Å; L14-L87 HydrophobicContact CB-CD2 4.34Å; L14-L87 HydrophobicContact CB-CG 4.06Å; L14-V130 HydrophobicContact CD2-CG2 3.95Å; L14-Y163 HydrophobicContact CD1-CD1 4.12Å; L14-Y163 HydrophobicContact CD1-CE1 3.76Å; L14-Y176 HydrophobicContact CD2-CE2 4.38Å; L14-W179 PolarHBondContact O-NE1 3.46Å; L14-W179 VanDerWaalsContact O-NE1 3.09Å
15I92.4Very high86.3Confident10 Ų1047.9 Ų47.95%0.05126%0.262CS..EExtended strand (participates in β ladder)trans-114.2152.3-176.659.7174.1000109.9F13 A19 A20 I23 E51 R52 L54F13-I15 HydrophobicContact CB-CG2 4.32Å; I15-A19 HydrophobicContact CB-CB 4.14Å; I15-A20 HydrophobicContact CD1-CB 3.6Å; I15-A20 HydrophobicContact CG1-CB 4.17Å; I15-I23 HydrophobicContact CD1-CD1 3.87Å; I15-E51 CarbonylContact O-C 3.58Å; I15-E51 VanDerWaalsContact O-CA 3.28Å; I15-E51 WeakPolarHBondContact O-CA 3.21Å; I15-R52 HydrophobicContact CG1-CB 4.27Å; I15-R52 WeakPolarHBondContact CG1-O 3.46Å; I15-R52 PolarHBondContact N-O 3.38Å; I15-R52 PolarHBondContact O-N 3.28Å; I15-L54 HydrophobicContact CD1-CB 3.84Å; I15-L54 HydrophobicContact CD1-CD2 4.39Å; I15-L54 HydrophobicContact CG1-CB 4.29Å
16S89.8Confident87.9Confident24 Ų2447.5 Ų47.517%0.16826%0.258CS..EExtended strand (participates in β ladder)trans-66.3155.8171.368.50000110.5K18 A19 A20 P50S16-K18 PolarHBondContact O-N 3.5Å; S16-A19 WeakPolarHBondContact O-CB 3.28Å; S16-A19 PolarHBondContact O-N 2.96Å; S16-A19 VanDerWaalsContact O-N 3.12Å; S16-A19 VanDerWaalsContact OG-CB 3.29Å; S16-A19 WeakPolarHBondContact OG-CB 3.49Å; S16-A19 PolarHBondContact OG-N 3.35Å; S16-A19 VanDerWaalsContact OG-N 3.09Å; S16-A20 PolarHBondContact O-N 3.17Å; S16-P50 CarbonylContact C-O 3.59Å; S16-P50 WeakPolarHBondContact CA-O 3.21Å
17T87.8Confident89.2Confident49 Ų4949.9 Ų49.930%0.30128%0.282SS..Hα-helixtrans-59-32.8174.8-66.50000111.4G21 G49 P50T17-G21 PolarHBondContact O-N 2.98Å; T17-G21 VanDerWaalsContact O-N 3.16Å; T17-G49 PolarHBondContact OG1-O 3.4Å; T17-P50 PolarHBondContact N-O 3.48Å; T17-P50 PolarHBondContact OG1-O 3.19Å
18K87Confident89.8Confident160 Ų16047.9 Ų47.970%0.69627%0.271SS*.Hα-helixtrans-65.1-47.9173.5-171.8-179.4-179.5-174.40111.9S16 A20 G21 V22S16-K18 PolarHBondContact O-N 3.5Å; K18-A20 VanDerWaalsContact C-N 3.34Å; K18-A20 PolarHBondContact O-N 2.63Å; K18-G21 PolarHBondContact O-N 3.17Å; K18-V22 PolarHBondContact O-N 3.08Å
19A88.1Confident90.2Very high16 Ų1646.7 Ų46.713%0.13227%0.269CS..Hα-helixtrans-60.8-42.2176.200000111.9I15 S16 G21 V22 I23 M74I15-A19 HydrophobicContact CB-CB 4.14Å; S16-A19 WeakPolarHBondContact O-CB 3.28Å; S16-A19 PolarHBondContact O-N 2.96Å; S16-A19 VanDerWaalsContact O-N 3.12Å; S16-A19 VanDerWaalsContact OG-CB 3.29Å; S16-A19 WeakPolarHBondContact OG-CB 3.49Å; S16-A19 PolarHBondContact OG-N 3.35Å; S16-A19 VanDerWaalsContact OG-N 3.09Å; A19-G21 VanDerWaalsContact C-N 3.26Å; A19-G21 PolarHBondContact O-N 3.41Å; A19-V22 WeakPolarHBondContact O-CB 3.23Å; A19-V22 PolarHBondContact O-N 3.07Å; A19-V22 VanDerWaalsContact O-N 3.08Å; A19-I23 PolarHBondContact O-N 3.32Å; A19-I23 VanDerWaalsContact O-N 3.12Å; A19-M74 HydrophobicContact CB-SD 3.43Å; A19-M74 WeakPolarHBondContact CB-SD 3.38Å
20A89.5Confident90.3Very high0 Ų047.1 Ų47.10%027%0.27CS..Hα-helixtrans-57.6-40174.900000112.1I15 S16 K18 V22 I23 I24 R52I15-A20 HydrophobicContact CD1-CB 3.6Å; I15-A20 HydrophobicContact CG1-CB 4.17Å; S16-A20 PolarHBondContact O-N 3.17Å; K18-A20 VanDerWaalsContact C-N 3.34Å; K18-A20 PolarHBondContact O-N 2.63Å; A20-V22 VanDerWaalsContact C-N 3.3Å; A20-V22 PolarHBondContact O-N 3.12Å; A20-I23 PolarHBondContact O-N 3.25Å; A20-I24 WeakPolarHBondContact O-CB 3.47Å; A20-I24 WeakPolarHBondContact O-CD1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.4Å; A20-I24 PolarHBondContact O-N 3.15Å; A20-R52 HydrophobicContact CB-CB 4.18Å; A20-R52 HydrophobicContact CB-CG 4.39Å
21G89.1Confident90.3Very high42 Ų4243.6 Ų43.643%0.43325%0.254SS..Hα-helixtrans-59.2-38.3175.200000113.5T17 K18 A19 G25T17-G21 PolarHBondContact O-N 2.98Å; T17-G21 VanDerWaalsContact O-N 3.16Å; K18-G21 PolarHBondContact O-N 3.17Å; A19-G21 VanDerWaalsContact C-N 3.26Å; A19-G21 PolarHBondContact O-N 3.41Å; G21-G25 PolarHBondContact O-N 3.32Å
22V88.3Confident90.2Very high53 Ų5349 Ų4932%0.32128%0.277SS..Hα-helixtrans-68.3-44.8176.9-179.40000111.1K18 A19 A20 G25 K73 M74K18-V22 PolarHBondContact O-N 3.08Å; A19-V22 WeakPolarHBondContact O-CB 3.23Å; A19-V22 PolarHBondContact O-N 3.07Å; A19-V22 VanDerWaalsContact O-N 3.08Å; A20-V22 VanDerWaalsContact C-N 3.3Å; A20-V22 PolarHBondContact O-N 3.12Å; V22-G25 PolarHBondContact O-N 2.98Å; V22-K73 HydrophobicContact CG1-CB 3.88Å; V22-M74 HydrophobicContact CB-CG 3.99Å; V22-M74 HydrophobicContact CG1-CG 3.92Å; V22-M74 HydrophobicContact CG2-CG 4.39Å
23I89.5Confident90Very high4 Ų453.1 Ų53.12%0.02130%0.295CS..Hα-helixtrans-66.6-39.6179.8-62.4175.6000111.2I15 A19 A20 N30 I44 L54 N70 M74I15-I23 HydrophobicContact CD1-CD1 3.87Å; A19-I23 PolarHBondContact O-N 3.32Å; A19-I23 VanDerWaalsContact O-N 3.12Å; A20-I23 PolarHBondContact O-N 3.25Å; I23-N30 PolarHBondContact O-ND2 3.19Å; I23-I44 HydrophobicContact CG2-CD1 4.34Å; I23-L54 HydrophobicContact CD1-CD2 3.83Å; I23-N70 HydrophobicContact CG1-CB 4.29Å; I23-M74 HydrophobicContact CD1-CE 3.91Å; I23-M74 HydrophobicContact CD1-SD 4.07Å; I23-M74 HydrophobicContact CG1-CE 4.11Å; I23-M74 HydrophobicContact CG1-SD 4.07Å
24I90.7Very high89.6Confident44 Ų4453.3 Ų53.323%0.22630%0.296CS..Hα-helixtrans-68.6-42.2177-66164.5000110.3A20 G28 N30 I31 I44A20-I24 WeakPolarHBondContact O-CB 3.47Å; A20-I24 WeakPolarHBondContact O-CD1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.4Å; A20-I24 PolarHBondContact O-N 3.15Å; I24-G28 CarbonylContact O-C 3.45Å; I24-G28 VanDerWaalsContact O-CA 3.3Å; I24-G28 WeakPolarHBondContact O-CA 3.45Å; I24-N30 PolarHBondContact O-N 2.95Å; I24-I31 HydrophobicContact CG2-CG2 4.19Å; I24-I31 PolarHBondContact O-N 3.4Å; I24-I31 VanDerWaalsContact O-N 3.1Å; I24-I44 HydrophobicContact CD1-CD1 4.17Å; I24-I44 HydrophobicContact CD1-CG2 4.5Å; I24-I44 HydrophobicContact CG1-CD1 3.7Å
25G88Confident89.3Confident20 Ų2059.8 Ų59.821%0.20632%0.321CS..  trans77.4166.7-174.200000112.8G21 V22 G27 G28G21-G25 PolarHBondContact O-N 3.32Å; V22-G25 PolarHBondContact O-N 2.98Å; G25-G27 PolarHBondContact O-N 3.12Å; G25-G28 PolarHBondContact O-N 3.25Å; G25-G28 VanDerWaalsContact O-N 3.08Å
26K90.5Very high89.1Confident197 Ų19767.2 Ų67.286%0.85736%0.355SS*.G310 helixtrans-60.5124.6178.3-65.7179.8-179.7176.60109.4G28 E29K26-G28 PolarHBondContact O-N 2.79Å; K26-G28 VanDerWaalsContact O-N 3.14Å; K26-E29 WeakPolarHBondContact O-CB 3.42Å; K26-E29 PolarHBondContact O-N 3.48Å
27G88.9Confident89Confident80 Ų8070.5 Ų70.583%0.82537%0.368SS*.G310 helixtrans63.216.3-177.900000115.2G25 E29G25-G27 PolarHBondContact O-N 3.12Å; G27-E29 VanDerWaalsContact C-N 3.31Å
28G87.7Confident88.9Confident13 Ų1369 Ų6913%0.13436%0.357CS..G310 helixtrans73.818.6-176.400000114.3I24 G25 K26 I31 K32I24-G28 CarbonylContact O-C 3.45Å; I24-G28 VanDerWaalsContact O-CA 3.3Å; I24-G28 WeakPolarHBondContact O-CA 3.45Å; G25-G28 PolarHBondContact O-N 3.25Å; G25-G28 VanDerWaalsContact O-N 3.08Å; K26-G28 PolarHBondContact O-N 2.79Å; K26-G28 VanDerWaalsContact O-N 3.14Å; G28-I31 WeakPolarHBondContact O-CG2 3.44Å; G28-K32 VanDerWaalsContact O-CG 3.23Å; G28-K32 WeakPolarHBondContact O-CG 3.47Å; G28-K32 PolarHBondContact O-N 3.4Å; G28-K32 VanDerWaalsContact O-N 3.12Å
29E91.8Very high88.6Confident145 Ų14564.5 Ų64.568%0.67835%0.346SS*.Hα-helixtrans-63.3-44.7-178.7-173.5-178.9174.200112.5K26 G27 K32 K33K26-E29 WeakPolarHBondContact O-CB 3.42Å; K26-E29 PolarHBondContact O-N 3.48Å; G27-E29 VanDerWaalsContact C-N 3.31Å; E29-K32 PolarHBondContact O-N 3.5Å; E29-K33 PolarHBondContact O-N 3.16Å
30N89.6Confident88.6Confident21 Ų2164.1 Ų64.111%0.11234%0.342CS..Hα-helixtrans-68-42.5-176.8-170.170.2000111.4I23 I24 K32 K33 I34 N70I23-N30 PolarHBondContact O-ND2 3.19Å; I24-N30 PolarHBondContact O-N 2.95Å; N30-K32 VanDerWaalsContact C-N 3.32Å; N30-K32 PolarHBondContact O-N 3.4Å; N30-K33 PolarHBondContact O-N 3.31Å; N30-I34 VanDerWaalsContact O-CG1 3.27Å; N30-I34 WeakPolarHBondContact O-CG1 3.27Å; N30-I34 PolarHBondContact O-N 3.14Å; N30-N70 PolarHBondContact ND2-OD1 3.24Å
31I90.3Very high88.7Confident16 Ų1670.5 Ų70.58%0.08237%0.37CS..Hα-helixtrans-66.5-32.2175.2-170.8168.6000112.7I24 G28 R35 V42 I44I24-I31 HydrophobicContact CG2-CG2 4.19Å; I24-I31 PolarHBondContact O-N 3.4Å; I24-I31 VanDerWaalsContact O-N 3.1Å; G28-I31 WeakPolarHBondContact O-CG2 3.44Å; I31-R35 VanDerWaalsContact O-CG 3.23Å; I31-R35 WeakPolarHBondContact O-CG 3.41Å; I31-R35 PolarHBondContact O-N 3.21Å; I31-V42 HydrophobicContact CD1-CB 4.2Å; I31-V42 HydrophobicContact CD1-CG1 3.71Å; I31-V42 HydrophobicContact CG1-CB 4.27Å; I31-V42 HydrophobicContact CG1-CG1 4.06Å; I31-I44 HydrophobicContact CD1-CD1 4.19Å
32K91Very high88.8Confident122 Ų12268.8 Ų68.853%0.5335%0.351SS..Hα-helixtrans-64.9-49.3172.6-75.9171.7-177.4178.60110.9G28 E29 N30 I34 R35 E36G28-K32 VanDerWaalsContact O-CG 3.23Å; G28-K32 WeakPolarHBondContact O-CG 3.47Å; G28-K32 PolarHBondContact O-N 3.4Å; G28-K32 VanDerWaalsContact O-N 3.12Å; E29-K32 PolarHBondContact O-N 3.5Å; N30-K32 VanDerWaalsContact C-N 3.32Å; N30-K32 PolarHBondContact O-N 3.4Å; K32-I34 VanDerWaalsContact C-N 3.29Å; K32-I34 PolarHBondContact O-N 3.01Å; K32-R35 PolarHBondContact O-N 2.94Å; K32-R35 VanDerWaalsContact O-N 3.07Å; K32-E36 WeakPolarHBondContact O-CG 3.47Å; K32-E36 PolarHBondContact O-N 3.44Å
33K89.7Confident89Confident98 Ų9869.3 Ų69.343%0.42635%0.354SS..Hα-helixtrans-53.9-46.5174.7-175.3179.3-174.2-75.90111.3E29 N30 R35 E36 E37E29-K33 PolarHBondContact O-N 3.16Å; N30-K33 PolarHBondContact O-N 3.31Å; K33-R35 VanDerWaalsContact C-N 3.34Å; K33-R35 PolarHBondContact O-N 3.41Å; K33-E36 PolarHBondContact O-N 3.03Å; K33-E37 IonicContact NZ-OE2 2.87Å; K33-E37 PolarHBondContact NZ-OE2 3Å; K33-E37 VanDerWaalsContact O-CB 3.24Å; K33-E37 WeakPolarHBondContact O-CB 3.38Å; K33-E37 PolarHBondContact O-N 3.35Å
34I88.7Confident89.2Confident4 Ų470.2 Ų70.22%0.02136%0.359CS..Hα-helixtrans-60.6-42.5178.3-69.2163000111.6N30 K32 E36 Y38 V42 I66 N70N30-I34 VanDerWaalsContact O-CG1 3.27Å; N30-I34 WeakPolarHBondContact O-CG1 3.27Å; N30-I34 PolarHBondContact O-N 3.14Å; K32-I34 VanDerWaalsContact C-N 3.29Å; K32-I34 PolarHBondContact O-N 3.01Å; I34-E36 VanDerWaalsContact C-N 3.31Å; I34-E36 PolarHBondContact O-N 3.16Å; I34-Y38 HydrophobicContact CG2-CD2 4.2Å; I34-Y38 WeakPolarHBondContact O-CB 3.29Å; I34-Y38 PolarHBondContact O-N 2.97Å; I34-V42 HydrophobicContact CG2-CG2 3.87Å; I34-I66 HydrophobicContact CD1-CG2 4.26Å; I34-I66 HydrophobicContact CG2-CD1 3.61Å; I34-I66 HydrophobicContact CG2-CG1 3.84Å; I34-I66 HydrophobicContact CG2-CG2 4.31Å; I34-N70 WeakPolarHBondContact CD1-ND2 3.4Å
35R87.1Confident89Confident138 Ų13870.9 Ų70.952%0.52137%0.366SS..Hα-helixtrans-69.6-25.3179.2-71.8169.5177-171.80.7113.7I31 K32 K33 V42I31-R35 VanDerWaalsContact O-CG 3.23Å; I31-R35 WeakPolarHBondContact O-CG 3.41Å; I31-R35 PolarHBondContact O-N 3.21Å; K32-R35 PolarHBondContact O-N 2.94Å; K32-R35 VanDerWaalsContact O-N 3.07Å; K33-R35 VanDerWaalsContact C-N 3.34Å; K33-R35 PolarHBondContact O-N 3.41Å; R35-V42 HydrophobicContact CG-CG2 4.47Å; R35-V42 PolarHBondContact NH2-O 3.24Å
36E88.4Confident88.9Confident165 Ų16575.6 Ų75.677%0.77139%0.386SS*.Hα-helixtrans-86-42.3177.8-71.7171.3-167.400112K32 K33 I34K32-E36 WeakPolarHBondContact O-CG 3.47Å; K32-E36 PolarHBondContact O-N 3.44Å; K33-E36 PolarHBondContact O-N 3.03Å; I34-E36 VanDerWaalsContact C-N 3.31Å; I34-E36 PolarHBondContact O-N 3.16Å
37E86.6Confident88.5Confident94 Ų9466.4 Ų66.444%0.43935%0.347SS..Hα-helixtrans-79.1-38.3-175.7-174164.3-161.500112.3K33K33-E37 IonicContact NZ-OE2 2.87Å; K33-E37 PolarHBondContact NZ-OE2 3Å; K33-E37 VanDerWaalsContact O-CB 3.24Å; K33-E37 WeakPolarHBondContact O-CB 3.38Å; K33-E37 PolarHBondContact O-N 3.35Å
38Y86Confident88Confident16 Ų1671 Ų716%0.06335%0.353CS..SBendtrans-112140.4-178.7-56.8-82.3000110.4I34 V40 E65 I66 E69I34-Y38 HydrophobicContact CG2-CD2 4.2Å; I34-Y38 WeakPolarHBondContact O-CB 3.29Å; I34-Y38 PolarHBondContact O-N 2.97Å; Y38-V40 PolarHBondContact O-N 2.85Å; Y38-E65 HydrophobicContact CE1-CB 3.98Å; Y38-I66 HydrophobicContact CD1-CG1 4.33Å; Y38-I66 HydrophobicContact CD2-CD1 4.19Å; Y38-I66 HydrophobicContact CD2-CG1 3.7Å; Y38-I66 HydrophobicContact CE2-CG1 3.99Å; Y38-I66 HydrophobicContact CG-CD1 4.05Å; Y38-I66 HydrophobicContact CG-CG1 3.88Å; Y38-E69 PolarHBondContact OH-OE1 3.33Å; Y38-E69 VanDerWaalsContact OH-OE1 3.1Å
39S82.1Confident87.7Confident67 Ų6771.5 Ų71.547%0.46936%0.358SS..  trans-79.546.3176.8-170.60000111.8
40V87.4Confident87.3Confident8 Ų866.9 Ų66.95%0.04834%0.34CS..  trans-116.5130.4-174.2-178.50000110.3Y38 V42 L56 D57 S62 V63 I66Y38-V40 PolarHBondContact O-N 2.85Å; V40-V42 HydrophobicContact CG1-CG2 4.26Å; V40-V42 PolarHBondContact O-N 3.3Å; V40-L56 HydrophobicContact CG1-CB 4.2Å; V40-L56 HydrophobicContact CG1-CD2 4.11Å; V40-D57 CarbonylContact C-O 3.57Å; V40-D57 WeakPolarHBondContact CA-O 3.5Å; V40-S62 VanDerWaalsContact CG2-CB 3.4Å; V40-V63 HydrophobicContact CG1-CG2 4.43Å; V40-I66 HydrophobicContact CB-CD1 4.01Å; V40-I66 HydrophobicContact CG1-CD1 4.22Å; V40-I66 HydrophobicContact CG2-CD1 3.89Å
41K91.1Very high87.4Confident134 Ų13465.9 Ų65.958%0.58334%0.335SS*.EExtended strand (participates in β ladder)trans-80.6107.1171.3-178.5-178.4179.2-175.30109.4D57K41-D57 HydrophobicContact CB-CB 4.2Å; K41-D57 PolarHBondContact N-O 2.94Å; K41-D57 PolarHBondContact O-N 3.03Å
42V91.9Very high87.5Confident5 Ų567 Ų673%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-99.2119.1178.5-172.20000110.5I31 I34 R35 V40 I44 L54 L56I31-V42 HydrophobicContact CD1-CB 4.2Å; I31-V42 HydrophobicContact CD1-CG1 3.71Å; I31-V42 HydrophobicContact CG1-CB 4.27Å; I31-V42 HydrophobicContact CG1-CG1 4.06Å; I34-V42 HydrophobicContact CG2-CG2 3.87Å; R35-V42 HydrophobicContact CG-CG2 4.47Å; R35-V42 PolarHBondContact NH2-O 3.24Å; V40-V42 HydrophobicContact CG1-CG2 4.26Å; V40-V42 PolarHBondContact O-N 3.3Å; V42-I44 HydrophobicContact CG1-CG1 4.45Å; V42-L54 HydrophobicContact CG1-CD1 3.72Å; V42-L56 HydrophobicContact CB-CD2 4.03Å; V42-L56 HydrophobicContact CG1-CD2 3.75Å; V42-L56 HydrophobicContact CG2-CD2 3.59Å
43T92.8Very high87.6Confident64 Ų6461.4 Ų61.439%0.39331%0.314SS..EExtended strand (participates in β ladder)trans-124.9126.6176.8-50.50000110.4V55T43-V55 PolarHBondContact N-O 3.24Å; T43-V55 PolarHBondContact O-N 2.97Å
44I92.6Very high87.9Confident24 Ų2456.9 Ų56.912%0.12330%0.295CS..  trans-129.196.2176-55.6171.4000106.8I23 I24 I31 V42 R52 L54I23-I44 HydrophobicContact CG2-CD1 4.34Å; I24-I44 HydrophobicContact CD1-CD1 4.17Å; I24-I44 HydrophobicContact CD1-CG2 4.5Å; I24-I44 HydrophobicContact CG1-CD1 3.7Å; I31-I44 HydrophobicContact CD1-CD1 4.19Å; V42-I44 HydrophobicContact CG1-CG1 4.45Å; I44-R52 HydrophobicContact CG2-CB 4.35Å; I44-L54 HydrophobicContact CD1-CD1 3.8Å; I44-L54 HydrophobicContact CG1-CB 4.43Å; I44-L54 HydrophobicContact CG1-CD1 3.5Å; I44-L54 VanDerWaalsContact CG1-CD1 3.5Å
45P87.8Confident88.1Confident57 Ų5758.1 Ų58.137%0.3730%0.302SS..  trans-59.3142.417223.2-35.5000111.4V53P45-V53 VanDerWaalsContact CD-O 3.29Å; P45-V53 WeakPolarHBondContact CD-O 3.28Å; P45-V53 HydrophobicContact CG-CB 4.27Å
46D85Confident88.4Confident119 Ų11951.6 Ų51.664%0.63628%0.278SS*.  trans-71.7137.1174.1-72.6-51.8000111.4R52D46-R52 IonicContact OD1-CZ 3.52Å; D46-R52 IonicContact OD1-NH1 3.79Å; D46-R52 PolarHBondContact OD1-NH1 2.84Å; D46-R52 IonicContact OD1-NH2 2.83Å
47S81.2Confident88.5Confident5 Ų546.8 Ų46.84%0.03526%0.257CS..  trans-135.5150.7172.671.30000109.4G49 E51 R52S47-G49 VanDerWaalsContact C-N 3.32Å; S47-E51 PolarHBondContact OG-O 2.97Å; S47-R52 PolarHBondContact O-NH2 2.97Å; S47-R52 VanDerWaalsContact O-NH2 3.16Å; S47-R52 WeakPolarHBondContact OG-CG 3.37Å
48N80Confident88.7Confident176 Ų17642.6 Ų42.694%0.94124%0.239SC*.SBendtrans-94.47.5172.5-62.4-11.7000111.8
49G80.6Confident88.8Confident23 Ų2343 Ų4324%0.23724%0.242CC..SBendtrans-90.1179.1-17900000112.7T17 S47 E51T17-G49 PolarHBondContact OG1-O 3.4Å; S47-G49 VanDerWaalsContact C-N 3.32Å; G49-E51 PolarHBondContact O-N 3.4Å
50P83.9Confident89.1Confident48 Ų4840.1 Ų40.131%0.31222%0.222SC..SBendtrans-74.4-9.2175.235.7-39.6000112.8S16 T17 W179S16-P50 CarbonylContact C-O 3.59Å; S16-P50 WeakPolarHBondContact CA-O 3.21Å; T17-P50 PolarHBondContact N-O 3.48Å; T17-P50 PolarHBondContact OG1-O 3.19Å; P50-W179 WeakPolarHBondContact CB-O 3.34Å; P50-W179 VanDerWaalsContact CG-O 3.29Å; P50-W179 WeakPolarHBondContact CG-O 3.35Å
51E90.7Very high89.2Confident0 Ų041.2 Ų41.20%023%0.234CC..EExtended strand (participates in β ladder)trans-128.6158.7-178.853.5-176.3-141.400113.5L14 I15 S47 G49 Y163 A165 A168 Y176 G178 W179L14-E51 HydrophobicContact CD1-CB 3.98Å; L14-E51 HydrophobicContact CD1-CG 4.16Å; L14-E51 HydrophobicContact CG-CB 4.49Å; I15-E51 CarbonylContact O-C 3.58Å; I15-E51 VanDerWaalsContact O-CA 3.28Å; I15-E51 WeakPolarHBondContact O-CA 3.21Å; S47-E51 PolarHBondContact OG-O 2.97Å; G49-E51 PolarHBondContact O-N 3.4Å; E51-Y163 WeakPolarHBondContact OE1-CE1 3.5Å; E51-Y163 VanDerWaalsContact OE1-CZ 3.27Å; E51-Y163 PolarHBondContact OE1-OH 3.16Å; E51-A165 HydrophobicContact CG-CB 4.32Å; E51-A165 WeakPolarHBondContact O-CB 3.24Å; E51-A168 HydrophobicContact CG-CB 3.8Å; E51-A168 WeakPolarHBondContact OE1-CB 3.31Å; E51-Y176 PolarHBondContact OE1-OH 3.43Å; E51-Y176 VanDerWaalsContact OE1-OH 3.11Å; E51-G178 WeakPolarHBondContact OE2-CA 3.46Å; E51-W179 HydrophobicContact CB-CB 4.09Å; E51-W179 PolarHBondContact OE2-N 2.65Å
52R92.9Very high89Confident39 Ų3935 Ų3515%0.14721%0.207CC..EExtended strand (participates in β ladder)trans-138.1151.4177.5-75.9177.3177.8-131.9-4.9110.1I15 A20 I44 D46 S47I15-R52 HydrophobicContact CG1-CB 4.27Å; I15-R52 WeakPolarHBondContact CG1-O 3.46Å; I15-R52 PolarHBondContact N-O 3.38Å; I15-R52 PolarHBondContact O-N 3.28Å; A20-R52 HydrophobicContact CB-CB 4.18Å; A20-R52 HydrophobicContact CB-CG 4.39Å; I44-R52 HydrophobicContact CG2-CB 4.35Å; D46-R52 IonicContact OD1-CZ 3.52Å; D46-R52 IonicContact OD1-NH1 3.79Å; D46-R52 PolarHBondContact OD1-NH1 2.84Å; D46-R52 IonicContact OD1-NH2 2.83Å; S47-R52 PolarHBondContact O-NH2 2.97Å; S47-R52 VanDerWaalsContact O-NH2 3.16Å; S47-R52 WeakPolarHBondContact OG-CG 3.37Å
53V94Very high88.9Confident6 Ų634.7 Ų34.74%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-93.1126.6172.3-179.10000108.5F13 L14 P45 V55 L87 Y163 A165F13-V53 CarbonylContact O-C 3.58Å; F13-V53 WeakPolarHBondContact O-CA 3.34Å; L14-V53 HydrophobicContact CD1-CG2 4.49Å; P45-V53 VanDerWaalsContact CD-O 3.29Å; P45-V53 WeakPolarHBondContact CD-O 3.28Å; P45-V53 HydrophobicContact CG-CB 4.27Å; V53-V55 HydrophobicContact CG1-CG2 3.94Å; V53-L87 HydrophobicContact CG1-CD1 4Å; V53-L87 HydrophobicContact CG2-CD1 4.01Å; V53-Y163 HydrophobicContact CG2-CD1 4.08Å; V53-A165 HydrophobicContact CG2-CB 4.13Å
54L94.5Very high88.7Confident3 Ų332.6 Ų32.62%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-103.2119.1169.2165.865.4000108.4R12 F13 I15 I23 V42 I44 L56 F67R12-L54 CarbonylContact C-O 3.54Å; R12-L54 WeakPolarHBondContact CA-O 3.38Å; F13-L54 HydrophobicContact CB-CB 4.29Å; F13-L54 PolarHBondContact N-O 3.44Å; F13-L54 PolarHBondContact O-N 3.49Å; I15-L54 HydrophobicContact CD1-CB 3.84Å; I15-L54 HydrophobicContact CD1-CD2 4.39Å; I15-L54 HydrophobicContact CG1-CB 4.29Å; I23-L54 HydrophobicContact CD1-CD2 3.83Å; V42-L54 HydrophobicContact CG1-CD1 3.72Å; I44-L54 HydrophobicContact CD1-CD1 3.8Å; I44-L54 HydrophobicContact CG1-CB 4.43Å; I44-L54 HydrophobicContact CG1-CD1 3.5Å; I44-L54 VanDerWaalsContact CG1-CD1 3.5Å; L54-L56 HydrophobicContact CD1-CD2 3.93Å; L54-L56 HydrophobicContact CD1-CG 4.12Å; L54-L56 HydrophobicContact CD2-CD1 4.25Å; L54-L56 HydrophobicContact CD2-CG 4.39Å; L54-L56 HydrophobicContact CG-CD1 4.46Å; L54-L56 HydrophobicContact CG-CD2 4.41Å; L54-L56 HydrophobicContact CG-CG 4.08Å; L54-F67 HydrophobicContact CD2-CE1 4.29Å; L54-F67 HydrophobicContact CD2-CZ 4.03Å
55V94.3Very high88.5Confident29 Ų2934.9 Ų34.918%0.17620%0.202CC..EExtended strand (participates in β ladder)trans-106.3123.4175.3-173.60000108.4E10 R12 T43 V53E10-V55 HydrophobicContact CG-CG1 4.32Å; R12-V55 HydrophobicContact CG-CB 4.4Å; R12-V55 HydrophobicContact CG-CG1 4.04Å; R12-V55 HydrophobicContact CG-CG2 4.05Å; T43-V55 PolarHBondContact N-O 3.24Å; T43-V55 PolarHBondContact O-N 2.97Å; V53-V55 HydrophobicContact CG1-CG2 3.94Å
56L92.7Very high88.5Confident2 Ų232.5 Ų32.51%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-118.8120175.2-64.2175.5000108.4E10 L11 F13 V40 V42 L54 V63 F67E10-L56 CarbonylContact C-O 3.54Å; E10-L56 WeakPolarHBondContact CA-O 3.42Å; L11-L56 PolarHBondContact N-O 3.27Å; L11-L56 PolarHBondContact O-N 3.09Å; F13-L56 HydrophobicContact CD2-CD1 4.37Å; F13-L56 HydrophobicContact CE2-CD1 4.07Å; V40-L56 HydrophobicContact CG1-CB 4.2Å; V40-L56 HydrophobicContact CG1-CD2 4.11Å; V42-L56 HydrophobicContact CB-CD2 4.03Å; V42-L56 HydrophobicContact CG1-CD2 3.75Å; V42-L56 HydrophobicContact CG2-CD2 3.59Å; L54-L56 HydrophobicContact CD1-CD2 3.93Å; L54-L56 HydrophobicContact CD1-CG 4.12Å; L54-L56 HydrophobicContact CD2-CD1 4.25Å; L54-L56 HydrophobicContact CD2-CG 4.39Å; L54-L56 HydrophobicContact CG-CD1 4.46Å; L54-L56 HydrophobicContact CG-CD2 4.41Å; L54-L56 HydrophobicContact CG-CG 4.08Å; L56-V63 HydrophobicContact CB-CG2 4.17Å; L56-V63 HydrophobicContact CD1-CG1 3.88Å; L56-F67 HydrophobicContact CD1-CD2 4.24Å; L56-F67 HydrophobicContact CD1-CE2 3.42Å; L56-F67 VanDerWaalsContact CD1-CE2 3.42Å; L56-F67 HydrophobicContact CD1-CZ 3.8Å
57D91.3Very high88.6Confident64 Ų6427 Ų2734%0.34216%0.157SC..EExtended strand (participates in β ladder)trans-123.4113.2177.917119000109V9 E10 V40 K41V9-D57 WeakPolarHBondContact O-CA 3.45Å; E10-D57 HydrophobicContact CG-CB 4.38Å; V40-D57 CarbonylContact C-O 3.57Å; V40-D57 WeakPolarHBondContact CA-O 3.5Å; K41-D57 HydrophobicContact CB-CB 4.2Å; K41-D57 PolarHBondContact N-O 2.94Å; K41-D57 PolarHBondContact O-N 3.03Å
58G90Very high88.9Confident5 Ų530.9 Ų30.95%0.05217%0.171CC..EExtended strand (participates in β ladder)trans164.2-161.2-177.100000112.5V9V9-G58 PolarHBondContact N-O 3.33Å; V9-G58 PolarHBondContact O-N 3.31Å
59D89Confident89.1Confident24 Ų2425.4 Ų25.413%0.12814%0.139CC..EExtended strand (participates in β ladder)trans-67.1132.6-178.2-59.2-89.6000112.1G6 G61 S62 V63G6-D59 PolarHBondContact N-OD1 2.92Å; G6-D59 VanDerWaalsContact O-OD1 3.13Å; D59-G61 PolarHBondContact O-N 3.41Å; D59-S62 WeakPolarHBondContact O-CB 3.31Å; D59-S62 PolarHBondContact O-N 3.4Å; D59-V63 WeakPolarHBondContact O-CG2 3.42Å; D59-V63 PolarHBondContact O-N 2.94Å
60L88.1Confident89.2Confident8 Ų824.4 Ų24.44%0.04213%0.129CC..Hα-helixtrans-54.8-39.6177.9178.259.3000112.3P7 V9 L11 S62 V63 I64 R145 A148P7-L60 HydrophobicContact CG-CB 4.44Å; P7-L60 PolarHBondContact O-N 3.25Å; P7-L60 VanDerWaalsContact O-N 3.16Å; V9-L60 HydrophobicContact CG2-CB 3.93Å; V9-L60 HydrophobicContact CG2-CD1 4.19Å; L11-L60 HydrophobicContact CD1-CD1 4.4Å; L60-S62 PolarHBondContact O-N 3.31Å; L60-V63 PolarHBondContact O-N 2.72Å; L60-I64 HydrophobicContact CD1-CD1 4.2Å; L60-I64 HydrophobicContact CD1-CG1 4.34Å; L60-I64 HydrophobicContact CG-CD1 4.09Å; L60-I64 WeakPolarHBondContact O-CG1 3.5Å; L60-I64 PolarHBondContact O-N 3.44Å; L60-R145 HydrophobicContact CD2-CG 4.22Å; L60-A148 HydrophobicContact CD1-CB 3.58Å; L60-A148 HydrophobicContact CD2-CB 4.02Å; L60-A148 HydrophobicContact CG-CB 4.47Å
61G88Confident89Confident30 Ų3022.4 Ų22.431%0.30912%0.115SC..Hα-helixtrans-61.5-42.2176.700000112.6D59 I64 E65D59-G61 PolarHBondContact O-N 3.41Å; G61-I64 PolarHBondContact O-N 3.47Å; G61-E65 PolarHBondContact O-N 2.96Å
62S88.4Confident88.4Confident3 Ų327.7 Ų27.72%0.02114%0.14CC..Hα-helixtrans-66.7-39.7175.1-61.60000111.9R3 V40 D59 L60 I64 E65 I66R3-S62 PolarHBondContact O-OG 2.78Å; V40-S62 VanDerWaalsContact CG2-CB 3.4Å; D59-S62 WeakPolarHBondContact O-CB 3.31Å; D59-S62 PolarHBondContact O-N 3.4Å; L60-S62 PolarHBondContact O-N 3.31Å; S62-I64 VanDerWaalsContact C-N 3.34Å; S62-I64 PolarHBondContact O-N 2.9Å; S62-E65 PolarHBondContact O-N 3.15Å; S62-I66 WeakPolarHBondContact O-CB 3.48Å; S62-I66 WeakPolarHBondContact O-CD1 3.18Å; S62-I66 WeakPolarHBondContact O-CG1 3.44Å; S62-I66 PolarHBondContact O-N 3.25Å
63V88.8Confident87.6Confident0 Ų031.6 Ų31.60%016%0.158CC..Hα-helixtrans-60.5-43.3177.21740000111.5L11 V40 L56 D59 L60 I66 F67L11-V63 HydrophobicContact CD1-CG1 4.29Å; V40-V63 HydrophobicContact CG1-CG2 4.43Å; L56-V63 HydrophobicContact CB-CG2 4.17Å; L56-V63 HydrophobicContact CD1-CG1 3.88Å; D59-V63 WeakPolarHBondContact O-CG2 3.42Å; D59-V63 PolarHBondContact O-N 2.94Å; L60-V63 PolarHBondContact O-N 2.72Å; V63-I66 PolarHBondContact O-N 2.94Å; V63-F67 HydrophobicContact CG1-CD2 3.75Å; V63-F67 HydrophobicContact CG1-CE2 3.77Å; V63-F67 VanDerWaalsContact O-CD2 3.28Å; V63-F67 WeakPolarHBondContact O-CD2 3.48Å; V63-F67 PolarHBondContact O-N 2.99Å
64I89.7Confident86.6Confident19 Ų1933.1 Ų33.110%0.09717%0.165CC..Hα-helixtrans-61.8-45.5178.2-70.1168.1000111.2L60 G61 S62 F67 R68 L141 R145L60-I64 HydrophobicContact CD1-CD1 4.2Å; L60-I64 HydrophobicContact CD1-CG1 4.34Å; L60-I64 HydrophobicContact CG-CD1 4.09Å; L60-I64 WeakPolarHBondContact O-CG1 3.5Å; L60-I64 PolarHBondContact O-N 3.44Å; G61-I64 PolarHBondContact O-N 3.47Å; S62-I64 VanDerWaalsContact C-N 3.34Å; S62-I64 PolarHBondContact O-N 2.9Å; I64-F67 PolarHBondContact O-N 3.49Å; I64-R68 PolarHBondContact O-N 2.84Å; I64-L141 HydrophobicContact CG2-CB 4.28Å; I64-L141 HydrophobicContact CG2-CD1 4.34Å; I64-L141 HydrophobicContact CG2-CD2 4.27Å; I64-R145 HydrophobicContact CD1-CB 3.91Å; I64-R145 HydrophobicContact CD1-CG 4.09Å
65E88.7Confident85.4Confident73 Ų7335.9 Ų35.934%0.34118%0.178SC..Hα-helixtrans-69-37.9179.8-66.6-56.5116.100112.2Y38 G61 S62 F67 R68 E69Y38-E65 HydrophobicContact CE1-CB 3.98Å; G61-E65 PolarHBondContact O-N 2.96Å; S62-E65 PolarHBondContact O-N 3.15Å; E65-F67 VanDerWaalsContact C-N 3.31Å; E65-F67 PolarHBondContact O-N 3.31Å; E65-R68 WeakPolarHBondContact O-CB 3.49Å; E65-R68 PolarHBondContact O-N 3.49Å; E65-R68 IonicContact OE1-CZ 2.79Å; E65-R68 IonicContact OE1-NE 3Å; E65-R68 PolarHBondContact OE1-NE 3Å; E65-R68 IonicContact OE1-NH2 3.45Å; E65-R68 PolarHBondContact OE1-NH2 3.22Å; E65-R68 IonicContact OE2-NE 2.97Å; E65-R68 PolarHBondContact OE2-NE 3.03Å; E65-E69 PolarHBondContact O-N 3.26Å; E65-E69 VanDerWaalsContact O-N 3.11Å
66I87Confident83.8Confident6 Ų639.3 Ų39.33%0.03120%0.203CC..Hα-helixtrans-56.2-48.4170.4-69.5164.3000109.7I34 Y38 V40 S62 V63 N70I34-I66 HydrophobicContact CD1-CG2 4.26Å; I34-I66 HydrophobicContact CG2-CD1 3.61Å; I34-I66 HydrophobicContact CG2-CG1 3.84Å; I34-I66 HydrophobicContact CG2-CG2 4.31Å; Y38-I66 HydrophobicContact CD1-CG1 4.33Å; Y38-I66 HydrophobicContact CD2-CD1 4.19Å; Y38-I66 HydrophobicContact CD2-CG1 3.7Å; Y38-I66 HydrophobicContact CE2-CG1 3.99Å; Y38-I66 HydrophobicContact CG-CD1 4.05Å; Y38-I66 HydrophobicContact CG-CG1 3.88Å; V40-I66 HydrophobicContact CB-CD1 4.01Å; V40-I66 HydrophobicContact CG1-CD1 4.22Å; V40-I66 HydrophobicContact CG2-CD1 3.89Å; S62-I66 WeakPolarHBondContact O-CB 3.48Å; S62-I66 WeakPolarHBondContact O-CD1 3.18Å; S62-I66 WeakPolarHBondContact O-CG1 3.44Å; S62-I66 PolarHBondContact O-N 3.25Å; V63-I66 PolarHBondContact O-N 2.94Å; I66-N70 VanDerWaalsContact O-CB 3.31Å; I66-N70 WeakPolarHBondContact O-CB 3.36Å; I66-N70 PolarHBondContact O-N 3.49Å; I66-N70 PolarHBondContact O-ND2 3.48Å
67F86.5Confident82.3Confident3 Ų343.9 Ų43.91%0.01323%0.228CC..Hα-helixtrans-67.9-36.4178.8-85.4-66.4000112.8F13 L54 L56 V63 I64 E65 E69 N70 L71 L84 L141 L144F13-F67 HydrophobicContact CB-CZ 4.47Å; F13-F67 HydrophobicContact CD1-CE1 4.49Å; F13-F67 HydrophobicContact CD1-CE2 4.28Å; F13-F67 AromaticContact CD1-CZ 3.75Å; F13-F67 HydrophobicContact CD1-CZ 3.75Å; F13-F67 AromaticContact CD2-CE2 3.89Å; F13-F67 HydrophobicContact CD2-CE2 3.89Å; F13-F67 AromaticContact CD2-CZ 3.51Å; F13-F67 HydrophobicContact CD2-CZ 3.51Å; F13-F67 AromaticContact CE1-CE2 3.78Å; F13-F67 HydrophobicContact CE1-CE2 3.78Å; F13-F67 AromaticContact CE1-CZ 3.73Å; F13-F67 HydrophobicContact CE1-CZ 3.73Å; F13-F67 AromaticContact CE2-CE2 3.35Å; F13-F67 HydrophobicContact CE2-CE2 3.35Å; F13-F67 AromaticContact CE2-CZ 3.5Å; F13-F67 HydrophobicContact CE2-CZ 3.5Å; F13-F67 HydrophobicContact CG-CE2 4.32Å; F13-F67 AromaticContact CG-CZ 3.63Å; F13-F67 HydrophobicContact CG-CZ 3.63Å; F13-F67 HydrophobicContact CZ-CD2 4.31Å; F13-F67 AromaticContact CZ-CE2 3.29Å; F13-F67 HydrophobicContact CZ-CE2 3.29Å; F13-F67 AromaticContact CZ-CZ 3.62Å; F13-F67 HydrophobicContact CZ-CZ 3.62Å; L54-F67 HydrophobicContact CD2-CE1 4.29Å; L54-F67 HydrophobicContact CD2-CZ 4.03Å; L56-F67 HydrophobicContact CD1-CD2 4.24Å; L56-F67 HydrophobicContact CD1-CE2 3.42Å; L56-F67 VanDerWaalsContact CD1-CE2 3.42Å; L56-F67 HydrophobicContact CD1-CZ 3.8Å; V63-F67 HydrophobicContact CG1-CD2 3.75Å; V63-F67 HydrophobicContact CG1-CE2 3.77Å; V63-F67 VanDerWaalsContact O-CD2 3.28Å; V63-F67 WeakPolarHBondContact O-CD2 3.48Å; V63-F67 PolarHBondContact O-N 2.99Å; I64-F67 PolarHBondContact O-N 3.49Å; E65-F67 VanDerWaalsContact C-N 3.31Å; E65-F67 PolarHBondContact O-N 3.31Å; F67-E69 PolarHBondContact O-N 3.45Å; F67-N70 PolarHBondContact O-N 2.93Å; F67-L71 HydrophobicContact CB-CD1 3.77Å; F67-L71 HydrophobicContact CB-CG 4.24Å; F67-L71 HydrophobicContact CD1-CD1 3.94Å; F67-L71 HydrophobicContact CD1-CD2 4.28Å; F67-L71 HydrophobicContact CD1-CG 3.91Å; F67-L71 HydrophobicContact CG-CD1 4.23Å; F67-L71 WeakPolarHBondContact O-CA 3.28Å; F67-L71 WeakPolarHBondContact O-CB 3.44Å; F67-L71 WeakPolarHBondContact O-CD1 3.45Å; F67-L71 WeakPolarHBondContact O-CG 3.2Å; F67-L71 PolarHBondContact O-N 3.03Å; F67-L84 HydrophobicContact CD1-CD1 4.02Å; F67-L84 HydrophobicContact CE1-CD1 3.57Å; F67-L84 HydrophobicContact CZ-CD1 4.14Å; F67-L141 HydrophobicContact CB-CD2 3.54Å; F67-L144 HydrophobicContact CD2-CD2 4.12Å; F67-L144 HydrophobicContact CE2-CD2 4.46Å
68R87.5Confident80.9Confident88 Ų8851.7 Ų51.733%0.33225%0.252SS..Hα-helixtrans-53.9-54.3174.8-171.7-172.3-57.8-71.8-3111.1I64 E65 E72 L141I64-R68 PolarHBondContact O-N 2.84Å; E65-R68 WeakPolarHBondContact O-CB 3.49Å; E65-R68 PolarHBondContact O-N 3.49Å; E65-R68 IonicContact OE1-CZ 2.79Å; E65-R68 IonicContact OE1-NE 3Å; E65-R68 PolarHBondContact OE1-NE 3Å; E65-R68 IonicContact OE1-NH2 3.45Å; E65-R68 PolarHBondContact OE1-NH2 3.22Å; E65-R68 IonicContact OE2-NE 2.97Å; E65-R68 PolarHBondContact OE2-NE 3.03Å; R68-E72 VanDerWaalsContact O-CG 3.29Å; R68-E72 WeakPolarHBondContact O-CG 3.42Å; R68-E72 PolarHBondContact O-N 3.16Å; R68-L141 HydrophobicContact CB-CD1 3.73Å; R68-L141 HydrophobicContact CG-CD1 4.13Å
69E84.2Confident79.7Confident61 Ų6159 Ų5929%0.28529%0.291SS..Hα-helixtrans-68.8-36.7-178.6-67.6-176.3-169.500113.4Y38 E65 F67 K73Y38-E69 PolarHBondContact OH-OE1 3.33Å; Y38-E69 VanDerWaalsContact OH-OE1 3.1Å; E65-E69 PolarHBondContact O-N 3.26Å; E65-E69 VanDerWaalsContact O-N 3.11Å; F67-E69 PolarHBondContact O-N 3.45Å; E69-K73 WeakPolarHBondContact O-CG 3.45Å
70N83.1Confident78.6Confident2 Ų261.3 Ų61.31%0.01130%0.303CS..Hα-helixtrans-84.9-33-175.2-72.2-75.7000112.9I23 N30 I34 I66 F67 K73 M74I23-N70 HydrophobicContact CG1-CB 4.29Å; N30-N70 PolarHBondContact ND2-OD1 3.24Å; I34-N70 WeakPolarHBondContact CD1-ND2 3.4Å; I66-N70 VanDerWaalsContact O-CB 3.31Å; I66-N70 WeakPolarHBondContact O-CB 3.36Å; I66-N70 PolarHBondContact O-N 3.49Å; I66-N70 PolarHBondContact O-ND2 3.48Å; F67-N70 PolarHBondContact O-N 2.93Å; N70-K73 PolarHBondContact O-N 3.34Å; N70-M74 WeakPolarHBondContact O-CG 3.41Å; N70-M74 PolarHBondContact O-N 3.48Å; N70-M74 VanDerWaalsContact O-N 3.14Å
71L79.1Confident78.3Confident5 Ų561.8 Ų61.83%0.02631%0.309CS..Hα-helixtrans-69.3-38.2177-72.2168.6000111.4F67 K73 M74 Q75 V82 L84 V137 L141F67-L71 HydrophobicContact CB-CD1 3.77Å; F67-L71 HydrophobicContact CB-CG 4.24Å; F67-L71 HydrophobicContact CD1-CD1 3.94Å; F67-L71 HydrophobicContact CD1-CD2 4.28Å; F67-L71 HydrophobicContact CD1-CG 3.91Å; F67-L71 HydrophobicContact CG-CD1 4.23Å; F67-L71 WeakPolarHBondContact O-CA 3.28Å; F67-L71 WeakPolarHBondContact O-CB 3.44Å; F67-L71 WeakPolarHBondContact O-CD1 3.45Å; F67-L71 WeakPolarHBondContact O-CG 3.2Å; F67-L71 PolarHBondContact O-N 3.03Å; L71-K73 PolarHBondContact O-N 2.89Å; L71-M74 HydrophobicContact CD2-CE 3.54Å; L71-M74 HydrophobicContact CG-CE 4.16Å; L71-M74 PolarHBondContact O-N 3.1Å; L71-Q75 PolarHBondContact O-N 3.35Å; L71-Q75 VanDerWaalsContact O-N 3.11Å; L71-V82 HydrophobicContact CB-CG1 4.2Å; L71-V82 HydrophobicContact CD1-CG2 4.38Å; L71-V82 HydrophobicContact CD2-CB 4.21Å; L71-V82 HydrophobicContact CD2-CG2 4.47Å; L71-L84 HydrophobicContact CD2-CD1 4.24Å; L71-V137 HydrophobicContact CB-CG1 4.33Å; L71-V137 HydrophobicContact CB-CG2 4.42Å; L71-L141 HydrophobicContact CD1-CD2 4.22Å
72E77.7Confident78.3Confident112 Ų11260.6 Ų60.652%0.52330%0.296SS..Hα-helixtrans-58-38.4173.9-76.4176.5-169.800111.9R68 V137R68-E72 VanDerWaalsContact O-CG 3.29Å; R68-E72 WeakPolarHBondContact O-CG 3.42Å; R68-E72 PolarHBondContact O-N 3.16Å; E72-V137 HydrophobicContact CG-CG2 4.48Å
73K77.6Confident78.3Confident120 Ų12061.9 Ų61.952%0.52230%0.303SS..Hα-helixtrans-74.1-24.6175.2-64.8174-172.3170.60113.4V22 E69 N70 L71V22-K73 HydrophobicContact CG1-CB 3.88Å; E69-K73 WeakPolarHBondContact O-CG 3.45Å; N70-K73 PolarHBondContact O-N 3.34Å; L71-K73 PolarHBondContact O-N 2.89Å
74M72.7Confident78.5Confident38 Ų3862.1 Ų62.119%0.18730%0.304CS..Hα-helixtrans-85.4-14.3-179.7-76.9-171-69.800113.5A19 V22 I23 N70 L71 S76A19-M74 HydrophobicContact CB-SD 3.43Å; A19-M74 WeakPolarHBondContact CB-SD 3.38Å; V22-M74 HydrophobicContact CB-CG 3.99Å; V22-M74 HydrophobicContact CG1-CG 3.92Å; V22-M74 HydrophobicContact CG2-CG 4.39Å; I23-M74 HydrophobicContact CD1-CE 3.91Å; I23-M74 HydrophobicContact CD1-SD 4.07Å; I23-M74 HydrophobicContact CG1-CE 4.11Å; I23-M74 HydrophobicContact CG1-SD 4.07Å; N70-M74 WeakPolarHBondContact O-CG 3.41Å; N70-M74 PolarHBondContact O-N 3.48Å; N70-M74 VanDerWaalsContact O-N 3.14Å; L71-M74 HydrophobicContact CD2-CE 3.54Å; L71-M74 HydrophobicContact CG-CE 4.16Å; L71-M74 PolarHBondContact O-N 3.1Å; M74-S76 PolarHBondContact O-N 2.98Å
75Q68Low78.7Confident62 Ų6261.2 Ų61.229%0.2930%0.3SS..  trans-59.2106.2173-74.8-175.4-26.500110L71 V82L71-Q75 PolarHBondContact O-N 3.35Å; L71-Q75 VanDerWaalsContact O-N 3.11Å; Q75-V82 HydrophobicContact CG-CG1 3.42Å; Q75-V82 VanDerWaalsContact CG-CG1 3.42Å
76S60.7Low79Confident101 Ų10157.8 Ų57.871%0.70628%0.284SS*.SBendtrans-76.5-39.4175.8-64.20000110.9M74M74-S76 PolarHBondContact O-N 2.98Å
77N63Low79.4Confident98 Ų9857.8 Ų57.852%0.52428%0.283SS..SBendtrans-122.9137.1172.2-87.1-24.3000108.9D79 D80N77-D79 PolarHBondContact O-N 3.42Å; N77-D80 HydrophobicContact CB-CB 4.15Å; N77-D80 VanDerWaalsContact CB-OD2 3.25Å; N77-D80 WeakPolarHBondContact CB-OD2 3.29Å; N77-D80 PolarHBondContact ND2-OD2 3.11Å
78R60.7Low79.8Confident227 Ų22757.7 Ų57.786%0.85728%0.283SS*.SBendtrans-65.8-25.1178.7-75.5-173.4170.3-170.3-3.1113.2
79D64.5Low80.1Confident160 Ų16053.6 Ų53.686%0.85627%0.268SS*.SBendtrans-90-23.2-177.7-75.2-60.5000114.5N77 G81N77-D79 PolarHBondContact O-N 3.42Å; D79-G81 PolarHBondContact O-N 3.46Å
80D67.6Low80.5Confident71 Ų7154.6 Ų54.638%0.3827%0.272SS..SBendtrans-79.5-5.2-173.3-69.5-32.1000113.4N77 P186N77-D80 HydrophobicContact CB-CB 4.15Å; N77-D80 VanDerWaalsContact CB-OD2 3.25Å; N77-D80 WeakPolarHBondContact CB-OD2 3.29Å; N77-D80 PolarHBondContact ND2-OD2 3.11Å; D80-P186 HydrophobicContact CB-CG 4.31Å
81G81.4Confident80.9Confident18 Ų1856.6 Ų56.619%0.18629%0.286CS..  trans67.4-162.4-174.100000112.7D79 G135D79-G81 PolarHBondContact O-N 3.46Å; G81-G135 CarbonylContact C-O 3.27Å; G81-G135 WeakPolarHBondContact CA-O 3.46Å
82V87Confident81.5Confident6 Ų657.7 Ų57.74%0.03629%0.291CS..EExtended strand (participates in β ladder)trans-114.6135175.1-62.60000110.4L71 Q75 V134 G135 V137 V140L71-V82 HydrophobicContact CB-CG1 4.2Å; L71-V82 HydrophobicContact CD1-CG2 4.38Å; L71-V82 HydrophobicContact CD2-CB 4.21Å; L71-V82 HydrophobicContact CD2-CG2 4.47Å; Q75-V82 HydrophobicContact CG-CG1 3.42Å; Q75-V82 VanDerWaalsContact CG-CG1 3.42Å; V82-V134 VanDerWaalsContact O-CA 3.28Å; V82-V134 WeakPolarHBondContact O-CA 3.35Å; V82-G135 PolarHBondContact N-O 2.81Å; V82-G135 PolarHBondContact O-N 2.87Å; V82-V137 HydrophobicContact CG1-CG2 3.71Å; V82-V137 HydrophobicContact CG2-CG2 4.17Å; V82-V140 HydrophobicContact CG2-CB 4.11Å; V82-V140 HydrophobicContact CG2-CG1 4.29Å; V82-V140 HydrophobicContact CG2-CG2 3.86Å
83D89.4Confident82.2Confident29 Ų2952.3 Ų52.316%0.15527%0.267CS..EExtended strand (participates in β ladder)trans-101104.1172.8-179-9.8000108.8R85 Q132 V134 W179D83-R85 VanDerWaalsContact OD1-CG 3.32Å; D83-R85 WeakPolarHBondContact OD1-CG 3.42Å; D83-R85 IonicContact OD1-NE 3.33Å; D83-R85 PolarHBondContact OD1-NE 2.93Å; D83-R85 IonicContact OD2-CZ 3.38Å; D83-R85 IonicContact OD2-NE 2.7Å; D83-R85 PolarHBondContact OD2-NE 3.34Å; D83-R85 IonicContact OD2-NH2 3.28Å; D83-R85 PolarHBondContact OD2-NH2 3.22Å; D83-Q132 WeakPolarHBondContact OD1-CG 3.5Å; D83-Q132 PolarHBondContact OD1-NE2 3.39Å; D83-Q132 PolarHBondContact OD2-NE2 2.85Å; D83-V134 HydrophobicContact CB-CG2 4.17Å; D83-W179 HydrophobicContact CB-CH2 3.94Å; D83-W179 HydrophobicContact CB-CZ2 4.29Å; D83-W179 WeakPolarHBondContact OD2-CH2 3.23Å
84L92Very high82.9Confident5 Ų548.4 Ų48.43%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-107.9128.9176.9-171.967.8000109.7F13 F67 L71 L133 V140 L144F13-L84 HydrophobicContact CD1-CD1 3.84Å; F13-L84 HydrophobicContact CD1-CD2 4.36Å; F13-L84 HydrophobicContact CD1-CG 4.07Å; F13-L84 HydrophobicContact CE1-CD1 4.26Å; F13-L84 HydrophobicContact CE1-CD2 4.01Å; F13-L84 HydrophobicContact CE1-CG 4.23Å; F67-L84 HydrophobicContact CD1-CD1 4.02Å; F67-L84 HydrophobicContact CE1-CD1 3.57Å; F67-L84 HydrophobicContact CZ-CD1 4.14Å; L71-L84 HydrophobicContact CD2-CD1 4.24Å; L84-L133 PolarHBondContact N-O 2.84Å; L84-L133 PolarHBondContact O-N 3.4Å; L84-V140 HydrophobicContact CB-CG1 3.87Å; L84-V140 HydrophobicContact CD2-CG1 3.77Å; L84-V140 HydrophobicContact CG-CG1 4.49Å; L84-L144 HydrophobicContact CD2-CD2 4.07Å
85R94.2Very high83.8Confident1 Ų149.3 Ų49.30%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-119.8118.7-179.1-57.8-173.1-170169.16.1110.8F13 L14 D83 V130 I131 Q132 G177 G178 N183F13-R85 CarbonylContact C-O 3.57Å; F13-R85 VanDerWaalsContact CA-O 3.24Å; F13-R85 WeakPolarHBondContact CA-O 3.31Å; L14-R85 HydrophobicContact CB-CB 4.18Å; L14-R85 PolarHBondContact N-O 3.24Å; L14-R85 WeakPolarHBondContact O-CB 3.47Å; D83-R85 VanDerWaalsContact OD1-CG 3.32Å; D83-R85 WeakPolarHBondContact OD1-CG 3.42Å; D83-R85 IonicContact OD1-NE 3.33Å; D83-R85 PolarHBondContact OD1-NE 2.93Å; D83-R85 IonicContact OD2-CZ 3.38Å; D83-R85 IonicContact OD2-NE 2.7Å; D83-R85 PolarHBondContact OD2-NE 3.34Å; D83-R85 IonicContact OD2-NH2 3.28Å; D83-R85 PolarHBondContact OD2-NH2 3.22Å; R85-V130 HydrophobicContact CB-CG1 3.76Å; R85-V130 HydrophobicContact CG-CG1 4.23Å; R85-I131 CarbonylContact C-O 3.59Å; R85-I131 VanDerWaalsContact CA-O 3.3Å; R85-I131 WeakPolarHBondContact CA-O 3.42Å; R85-Q132 HydrophobicContact CG-CB 4.29Å; R85-Q132 HydrophobicContact CG-CG 4.24Å; R85-G177 VanDerWaalsContact CD-O 3.26Å; R85-G177 WeakPolarHBondContact CD-O 3.49Å; R85-G177 PolarHBondContact NH1-O 2.97Å; R85-G178 PolarHBondContact NH1-O 3.08Å; R85-N183 VanDerWaalsContact CZ-ND2 3.25Å; R85-N183 PolarHBondContact NH1-ND2 3.49Å; R85-N183 PolarHBondContact NH2-ND2 3.25Å; R85-N183 VanDerWaalsContact NH2-ND2 3.17Å; R85-N183 PolarHBondContact NH2-O 3.02Å
86L95.7Very high85Confident1 Ų146.4 Ų46.41%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-99.1131.2180-176.773.7000110L11 R12 F13 V88 V130 I131 L133 L144 I147 L151L11-L86 HydrophobicContact CB-CD1 4.35Å; L11-L86 HydrophobicContact CD2-CD1 4.37Å; R12-L86 WeakPolarHBondContact O-CD1 3.28Å; F13-L86 HydrophobicContact CD1-CB 4.47Å; F13-L86 HydrophobicContact CD1-CD1 3.9Å; F13-L86 HydrophobicContact CE1-CB 4.48Å; F13-L86 HydrophobicContact CE1-CD1 3.51Å; F13-L86 HydrophobicContact CE2-CD1 4.33Å; F13-L86 HydrophobicContact CG-CD1 4.47Å; F13-L86 HydrophobicContact CZ-CD1 3.74Å; L86-V88 HydrophobicContact CD2-CG1 3.67Å; L86-V88 HydrophobicContact CG-CG1 3.86Å; L86-V130 WeakPolarHBondContact O-CA 3.35Å; L86-I131 HydrophobicContact CB-CB 4.36Å; L86-I131 HydrophobicContact CD2-CD1 4.48Å; L86-I131 PolarHBondContact N-O 3.33Å; L86-I131 PolarHBondContact O-N 3.44Å; L86-L133 HydrophobicContact CB-CD1 4.45Å; L86-L144 HydrophobicContact CD1-CD1 4.43Å; L86-L144 HydrophobicContact CD2-CD1 4.46Å; L86-I147 HydrophobicContact CD2-CG2 3.68Å; L86-L151 HydrophobicContact CD2-CD1 3.97Å
87L95.3Very high86.5Confident5 Ų543.6 Ų43.63%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-92.2116.9172.4-70166000109.1R12 L14 V53 D128 V130 Y163R12-L87 HydrophobicContact CB-CB 4.06Å; R12-L87 WeakPolarHBondContact O-CB 3.45Å; R12-L87 PolarHBondContact O-N 2.91Å; L14-L87 HydrophobicContact CB-CD1 4.14Å; L14-L87 HydrophobicContact CB-CD2 4.34Å; L14-L87 HydrophobicContact CB-CG 4.06Å; V53-L87 HydrophobicContact CG1-CD1 4Å; V53-L87 HydrophobicContact CG2-CD1 4.01Å; L87-D128 HydrophobicContact CD2-CB 4.27Å; L87-V130 HydrophobicContact CD2-CG2 3.9Å; L87-Y163 HydrophobicContact CD1-CD1 4.19Å; L87-Y163 HydrophobicContact CD2-CD1 4.26Å
88V94.3Very high87.9Confident2 Ų240 Ų401%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-125150.6176.7-63.30000109.9L86 Q92 A93 D128 R129 I131 L151L86-V88 HydrophobicContact CD2-CG1 3.67Å; L86-V88 HydrophobicContact CG-CG1 3.86Å; V88-Q92 HydrophobicContact CB-CB 4.43Å; V88-A93 HydrophobicContact CG2-CB 3.82Å; V88-D128 CarbonylContact O-C 3.41Å; V88-D128 VanDerWaalsContact O-CA 3.22Å; V88-D128 WeakPolarHBondContact O-CA 3.39Å; V88-R129 PolarHBondContact N-O 3.38Å; V88-R129 PolarHBondContact O-N 3.33Å; V88-I131 HydrophobicContact CB-CD1 4.4Å; V88-I131 HydrophobicContact CG1-CD1 3.9Å; V88-I131 HydrophobicContact CG2-CD1 3.57Å; V88-I131 HydrophobicContact CG2-CG1 3.87Å; V88-L151 HydrophobicContact CB-CD2 4.34Å; V88-L151 HydrophobicContact CG1-CD1 3.69Å; V88-L151 HydrophobicContact CG1-CD2 3.88Å; V88-L151 HydrophobicContact CG1-CG 4.45Å
89H94.6Very high89.4Confident2 Ų240.4 Ų40.41%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-61.9146.3174-176.3-94.6000110.6S91 Q92 A93 T127 P156 K157 S159H89-S91 WeakPolarHBondContact ND1-CB 3.24Å; H89-S91 PolarHBondContact ND1-N 3.24Å; H89-S91 PolarHBondContact O-N 2.77Å; H89-S91 VanDerWaalsContact O-N 3.12Å; H89-Q92 HydrophobicContact CB-CB 4.44Å; H89-Q92 HydrophobicContact CB-CG 4.2Å; H89-Q92 CarbonylContact O-C 3.51Å; H89-Q92 WeakPolarHBondContact O-CA 3.46Å; H89-Q92 WeakPolarHBondContact O-CB 3.45Å; H89-Q92 PolarHBondContact O-N 3.28Å; H89-A93 PolarHBondContact O-N 3.31Å; H89-T127 PolarHBondContact CD2-OG1 2.78Å; H89-T127 VanDerWaalsContact CD2-OG1 3.27Å; H89-P156 HydrophobicContact CB-CB 4.06Å; H89-K157 PolarHBondContact CE1-O 3.1Å; H89-S159 PolarHBondContact NE2-O 2.79Å
90Q91.3Very high90.6Very high81 Ų8138.4 Ų38.438%0.37923%0.226SC..Hα-helixtrans-54.3-33.5-179.360176.3-19.700114.1G94 L122 T127 R129Q90-G94 PolarHBondContact O-N 2.96Å; Q90-L122 HydrophobicContact CB-CD2 3.76Å; Q90-T127 WeakPolarHBondContact CB-O 3.5Å; Q90-T127 WeakPolarHBondContact CG-O 3.34Å; Q90-T127 PolarHBondContact N-O 2.89Å; Q90-R129 HydrophobicContact CB-CG 4.27Å
91S91.4Very high91.7Very high44 Ų4436 Ų3631%0.30822%0.217SC..Hα-helixtrans-68.1-41.6175.7-175.30000111.3H89 G94 C95 K157H89-S91 WeakPolarHBondContact ND1-CB 3.24Å; H89-S91 PolarHBondContact ND1-N 3.24Å; H89-S91 PolarHBondContact O-N 2.77Å; H89-S91 VanDerWaalsContact O-N 3.12Å; S91-G94 PolarHBondContact O-N 2.84Å; S91-C95 PolarHBondContact O-N 3.27Å; S91-K157 WeakPolarHBondContact OG-CB 3.3Å
92Q92.6Very high92.3Very high28 Ų2843 Ų4313%0.13124%0.239CC..Hα-helixtrans-70.2-37.7177.2-65.2-176.4-5000111.9V88 H89 G94 C95 V96 L151 A154 P156V88-Q92 HydrophobicContact CB-CB 4.43Å; H89-Q92 HydrophobicContact CB-CB 4.44Å; H89-Q92 HydrophobicContact CB-CG 4.2Å; H89-Q92 CarbonylContact O-C 3.51Å; H89-Q92 WeakPolarHBondContact O-CA 3.46Å; H89-Q92 WeakPolarHBondContact O-CB 3.45Å; H89-Q92 PolarHBondContact O-N 3.28Å; Q92-G94 PolarHBondContact O-N 3.07Å; Q92-C95 WeakPolarHBondContact O-CA 3.4Å; Q92-C95 VanDerWaalsContact O-CB 3.27Å; Q92-C95 WeakPolarHBondContact O-CB 3.5Å; Q92-C95 PolarHBondContact O-N 2.94Å; Q92-V96 PolarHBondContact O-N 2.88Å; Q92-L151 HydrophobicContact CB-CD2 3.66Å; Q92-L151 HydrophobicContact CG-CD2 4.28Å; Q92-A154 WeakPolarHBondContact CG-O 3.18Å; Q92-A154 PolarHBondContact NE2-O 3.12Å; Q92-P156 HydrophobicContact CG-CB 4.31Å
93A93Very high92.5Very high0 Ų045.6 Ų45.60%025%0.25CS..Hα-helixtrans-55.4-38.8173.400000111.6V88 H89 C95 V96 I97 V118 R129V88-A93 HydrophobicContact CG2-CB 3.82Å; H89-A93 PolarHBondContact O-N 3.31Å; A93-C95 VanDerWaalsContact C-N 3.3Å; A93-C95 PolarHBondContact O-N 3.06Å; A93-V96 PolarHBondContact O-N 3.02Å; A93-I97 WeakPolarHBondContact O-CD1 3.31Å; A93-I97 VanDerWaalsContact O-CG1 3.23Å; A93-I97 WeakPolarHBondContact O-CG1 3.48Å; A93-I97 PolarHBondContact O-N 2.83Å; A93-V118 HydrophobicContact CB-CG1 4.29Å; A93-R129 HydrophobicContact CB-CB 4.08Å; A93-R129 HydrophobicContact CB-CG 4.43Å
94G92.2Very high92.8Very high37 Ų3744.8 Ų44.838%0.38125%0.246SC..Hα-helixtrans-61.4-36.3173.500000113.3Q90 S91 Q92 G98Q90-G94 PolarHBondContact O-N 2.96Å; S91-G94 PolarHBondContact O-N 2.84Å; Q92-G94 PolarHBondContact O-N 3.07Å; G94-G98 PolarHBondContact O-N 2.87Å
95C90.6Very high92.8Very high57 Ų5751.4 Ų51.439%0.38527%0.274SS..Hα-helixtrans-68.4-42.4175.1-167.60000112S91 Q92 A93 I97 G98 A154S91-C95 PolarHBondContact O-N 3.27Å; Q92-C95 WeakPolarHBondContact O-CA 3.4Å; Q92-C95 VanDerWaalsContact O-CB 3.27Å; Q92-C95 WeakPolarHBondContact O-CB 3.5Å; Q92-C95 PolarHBondContact O-N 2.94Å; A93-C95 VanDerWaalsContact C-N 3.3Å; A93-C95 PolarHBondContact O-N 3.06Å; C95-I97 VanDerWaalsContact C-N 3.32Å; C95-I97 PolarHBondContact O-N 2.7Å; C95-G98 PolarHBondContact O-N 2.73Å; C95-A154 HydrophobicContact CB-CB 3.91Å
96V93Very high92.7Very high1 Ų153.7 Ų53.71%0.00629%0.285CS..Hα-helixtrans-64.7-37.3176.4-179.40000111.5Q92 A93 I104 L107 I131 I147 L151Q92-V96 PolarHBondContact O-N 2.88Å; A93-V96 PolarHBondContact O-N 3.02Å; V96-I104 HydrophobicContact CG1-CD1 4.38Å; V96-I104 PolarHBondContact O-N 3.38Å; V96-L107 HydrophobicContact CG1-CD1 4.19Å; V96-I131 HydrophobicContact CB-CD1 4.27Å; V96-I131 HydrophobicContact CG1-CD1 4.01Å; V96-I131 HydrophobicContact CG2-CD1 4.13Å; V96-I147 HydrophobicContact CG2-CG2 4.3Å; V96-L151 HydrophobicContact CG2-CD2 3.99Å
97I93.6Very high92.5Very high42 Ų4253.9 Ų53.922%0.21529%0.286CS..Hα-helixtrans-67-43.9174.1-65.7164.2000110.7A93 C95 G101 K103 I104 V118A93-I97 WeakPolarHBondContact O-CD1 3.31Å; A93-I97 VanDerWaalsContact O-CG1 3.23Å; A93-I97 WeakPolarHBondContact O-CG1 3.48Å; A93-I97 PolarHBondContact O-N 2.83Å; C95-I97 VanDerWaalsContact C-N 3.32Å; C95-I97 PolarHBondContact O-N 2.7Å; I97-G101 CarbonylContact O-C 3.51Å; I97-G101 VanDerWaalsContact O-C 3.27Å; I97-G101 VanDerWaalsContact O-CA 3.28Å; I97-G101 WeakPolarHBondContact O-CA 3.13Å; I97-K103 PolarHBondContact O-N 2.86Å; I97-I104 HydrophobicContact CG2-CG2 4.18Å; I97-I104 PolarHBondContact O-N 3.33Å; I97-I104 VanDerWaalsContact O-N 3.09Å; I97-V118 HydrophobicContact CD1-CB 4.22Å; I97-V118 HydrophobicContact CD1-CG1 3.97Å; I97-V118 HydrophobicContact CG1-CB 4.2Å; I97-V118 HydrophobicContact CG1-CG1 4.26Å; I97-V118 HydrophobicContact CG1-CG2 4.06Å
98G91.3Very high92.3Very high22 Ų2259.4 Ų59.423%0.22731%0.307CS..  trans76.6171.5-176.600000113.4G94 C95 A100 G101G94-G98 PolarHBondContact O-N 2.87Å; C95-G98 PolarHBondContact O-N 2.73Å; G98-A100 PolarHBondContact O-N 3.02Å; G98-G101 PolarHBondContact O-N 3.09Å; G98-G101 VanDerWaalsContact O-N 3.12Å
99R92.3Very high92.1Very high237 Ų23766.8 Ų66.889%0.89434%0.341SS*.G310 helixtrans-60.9127.9177.9-64.8-179.2-178.4171.80.7109.7G101 Y102R99-G101 PolarHBondContact O-N 3Å; R99-Y102 WeakPolarHBondContact O-CB 3.45Å; R99-Y102 PolarHBondContact O-N 3.12Å; R99-Y102 VanDerWaalsContact O-N 3.08Å
100A89.9Confident91.9Very high118 Ų11872.8 Ų72.898%0.97537%0.369SS*.G310 helixtrans53.922.5-17600000115G98 Y102G98-A100 PolarHBondContact O-N 3.02Å; A100-Y102 VanDerWaalsContact C-N 3.27Å; A100-Y102 PolarHBondContact O-N 2.79Å
101G90.3Very high91.8Very high20 Ų2069.7 Ų69.721%0.20636%0.357CS..G310 helixtrans74.213.3-17800000114.7I97 G98 R99 K103 I104 K105I97-G101 CarbonylContact O-C 3.51Å; I97-G101 VanDerWaalsContact O-C 3.27Å; I97-G101 VanDerWaalsContact O-CA 3.28Å; I97-G101 WeakPolarHBondContact O-CA 3.13Å; G98-G101 PolarHBondContact O-N 3.09Å; G98-G101 VanDerWaalsContact O-N 3.12Å; R99-G101 PolarHBondContact O-N 3Å; G101-K103 PolarHBondContact O-N 3.01Å; G101-I104 VanDerWaalsContact O-CG2 3.26Å; G101-I104 WeakPolarHBondContact O-CG2 3.04Å; G101-K105 WeakPolarHBondContact O-CB 3.48Å; G101-K105 PolarHBondContact O-N 2.82Å; G101-K105 VanDerWaalsContact O-N 3.15Å
102Y93.6Very high91.4Very high164 Ų16469.7 Ų69.764%0.64336%0.363SS*.Hα-helixtrans-61.6-43.7-177.9-179.6-97.7000112.3R99 A100 K105 E106R99-Y102 WeakPolarHBondContact O-CB 3.45Å; R99-Y102 PolarHBondContact O-N 3.12Å; R99-Y102 VanDerWaalsContact O-N 3.08Å; A100-Y102 VanDerWaalsContact C-N 3.27Å; A100-Y102 PolarHBondContact O-N 2.79Å; Y102-K105 WeakPolarHBondContact O-CB 3.44Å; Y102-K105 PolarHBondContact O-N 2.76Å; Y102-E106 PolarHBondContact O-N 3.27Å
103K92.7Very high91.2Very high61 Ų6169.3 Ų69.327%0.26536%0.362SS..Hα-helixtrans-69-42.4-174-164.870.8-170.4160.30112.3I97 G101 K105 E106 L107 L150I97-K103 PolarHBondContact O-N 2.86Å; G101-K103 PolarHBondContact O-N 3.01Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 2.78Å; K103-E106 WeakPolarHBondContact CD-OE2 3.34Å; K103-E106 IonicContact NZ-OE1 2.78Å; K103-E106 IonicContact NZ-OE2 3.22Å; K103-E106 PolarHBondContact NZ-OE2 3.38Å; K103-E106 PolarHBondContact O-N 2.76Å; K103-L107 WeakPolarHBondContact O-CG 3.38Å; K103-L107 PolarHBondContact O-N 3.14Å; K103-L150 HydrophobicContact CG-CD1 4.16Å
104I94Very high90.9Very high13 Ų1376 Ų767%0.06739%0.393CS..Hα-helixtrans-68.1-32.4175.1-169.664.7000112.2V96 I97 G101 L107 R108 L116 V118V96-I104 HydrophobicContact CG1-CD1 4.38Å; V96-I104 PolarHBondContact O-N 3.38Å; I97-I104 HydrophobicContact CG2-CG2 4.18Å; I97-I104 PolarHBondContact O-N 3.33Å; I97-I104 VanDerWaalsContact O-N 3.09Å; G101-I104 VanDerWaalsContact O-CG2 3.26Å; G101-I104 WeakPolarHBondContact O-CG2 3.04Å; I104-L107 PolarHBondContact O-N 2.79Å; I104-R108 WeakPolarHBondContact O-CB 3.22Å; I104-R108 VanDerWaalsContact O-CG 3.23Å; I104-R108 WeakPolarHBondContact O-CG 3.46Å; I104-R108 PolarHBondContact O-N 2.84Å; I104-L116 HydrophobicContact CD1-CD1 4.3Å; I104-L116 HydrophobicContact CD1-CD2 3.73Å; I104-L116 HydrophobicContact CD1-CG 3.72Å; I104-V118 HydrophobicContact CD1-CG2 4.05Å; I104-V118 HydrophobicContact CG1-CG2 4.39Å
105K92.1Very high90.8Very high143 Ų14376.4 Ų76.462%0.62239%0.388SS*.Hα-helixtrans-65.6-45.3175-171.7-177.5177-171.90111G101 Y102 K103 R108 E109G101-K105 WeakPolarHBondContact O-CB 3.48Å; G101-K105 PolarHBondContact O-N 2.82Å; G101-K105 VanDerWaalsContact O-N 3.15Å; Y102-K105 WeakPolarHBondContact O-CB 3.44Å; Y102-K105 PolarHBondContact O-N 2.76Å; K103-K105 VanDerWaalsContact C-N 3.31Å; K103-K105 PolarHBondContact O-N 2.78Å; K105-R108 WeakPolarHBondContact O-CB 3.3Å; K105-R108 PolarHBondContact O-N 3.11Å; K105-E109 PolarHBondContact O-N 2.8Å; K105-E109 VanDerWaalsContact O-N 3.12Å
106E92.9Very high90.9Very high50 Ų5074 Ų7423%0.23437%0.372CS..Hα-helixtrans-58.4-49173.6-178.3-171.1-167.400111.3Y102 K103 R108 E109 Q110Y102-E106 PolarHBondContact O-N 3.27Å; K103-E106 WeakPolarHBondContact CD-OE2 3.34Å; K103-E106 IonicContact NZ-OE1 2.78Å; K103-E106 IonicContact NZ-OE2 3.22Å; K103-E106 PolarHBondContact NZ-OE2 3.38Å; K103-E106 PolarHBondContact O-N 2.76Å; E106-R108 VanDerWaalsContact C-N 3.31Å; E106-R108 PolarHBondContact O-N 2.83Å; E106-E109 PolarHBondContact O-N 2.84Å; E106-Q110 HydrophobicContact CG-CG 4.44Å; E106-Q110 VanDerWaalsContact CG-NE2 3.33Å; E106-Q110 WeakPolarHBondContact O-CG 3.49Å; E106-Q110 PolarHBondContact O-N 2.72Å; E106-Q110 PolarHBondContact OE1-NE2 2.93Å
107L92.3Very high90.9Very high5 Ų578.5 Ų78.53%0.02639%0.391CS..Hα-helixtrans-61.2-37.5178.5-72.6171000112.6V96 K103 I104 S111 L116 I147 L150V96-L107 HydrophobicContact CG1-CD1 4.19Å; K103-L107 WeakPolarHBondContact O-CG 3.38Å; K103-L107 PolarHBondContact O-N 3.14Å; I104-L107 PolarHBondContact O-N 2.79Å; L107-S111 WeakPolarHBondContact O-CB 3.38Å; L107-S111 PolarHBondContact O-N 3.45Å; L107-S111 PolarHBondContact O-OG 3.17Å; L107-L116 HydrophobicContact CB-CD2 3.92Å; L107-I147 HydrophobicContact CD1-CG1 4.25Å; L107-L150 HydrophobicContact CD1-CD1 3.83Å; L107-L150 HydrophobicContact CD2-CD1 4.39Å
108R90.1Very high90.9Very high121 Ų12177.4 Ų77.446%0.45739%0.386SS..Hα-helixtrans-62.7-43.2175.3-79.4171.7-175.8-176.34.4112I104 K105 E106 G112 L116I104-R108 WeakPolarHBondContact O-CB 3.22Å; I104-R108 VanDerWaalsContact O-CG 3.23Å; I104-R108 WeakPolarHBondContact O-CG 3.46Å; I104-R108 PolarHBondContact O-N 2.84Å; K105-R108 WeakPolarHBondContact O-CB 3.3Å; K105-R108 PolarHBondContact O-N 3.11Å; E106-R108 VanDerWaalsContact C-N 3.31Å; E106-R108 PolarHBondContact O-N 2.83Å; R108-G112 PolarHBondContact O-N 3.02Å; R108-L116 HydrophobicContact CG-CB 3.86Å; R108-L116 HydrophobicContact CG-CD2 3.83Å; R108-L116 HydrophobicContact CG-CG 4.12Å; R108-L116 PolarHBondContact NE-O 3.34Å; R108-L116 PolarHBondContact NH2-O 3.08Å
109E91.1Very high91Very high157 Ų15776.8 Ų76.873%0.73438%0.377SS*.Hα-helixtrans-70.9-42.9-178.7-172.8168.2-169.600111.7K105 E106K105-E109 PolarHBondContact O-N 2.8Å; K105-E109 VanDerWaalsContact O-N 3.12Å; E106-E109 PolarHBondContact O-N 2.84Å
110Q90.5Very high90.9Very high127 Ų12773.8 Ų73.859%0.59337%0.373SS*.Hα-helixtrans-69.6-42.4178.9-72173.2-3.700113E106E106-Q110 HydrophobicContact CG-CG 4.44Å; E106-Q110 VanDerWaalsContact CG-NE2 3.33Å; E106-Q110 WeakPolarHBondContact O-CG 3.49Å; E106-Q110 PolarHBondContact O-N 2.72Å; E106-Q110 PolarHBondContact OE1-NE2 2.93Å
111S87.6Confident90.8Very high17 Ų1771.5 Ų71.512%0.11934%0.343CS..Hα-helixtrans-78-24.5-175.9620000113.6L107 L113L107-S111 WeakPolarHBondContact O-CB 3.38Å; L107-S111 PolarHBondContact O-N 3.45Å; L107-S111 PolarHBondContact O-OG 3.17Å; S111-L113 PolarHBondContact O-N 2.98Å; S111-L113 WeakPolarHBondContact OG-CG 3.48Å
112G84.3Confident90.7Very high43 Ų4373.4 Ų73.444%0.44335%0.348SS..  trans58.227.6-176.100000113.6R108R108-G112 PolarHBondContact O-N 3.02Å
113L87.7Confident90.5Very high21 Ų2165.7 Ų65.711%0.1132%0.318CS..  trans-67.1146.2178.2-73.6174.2000111.4S111 T115 L116 L133 K139 V140 C143S111-L113 PolarHBondContact O-N 2.98Å; S111-L113 WeakPolarHBondContact OG-CG 3.48Å; L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.33Å; L113-L116 HydrophobicContact CB-CB 4.44Å; L113-L116 HydrophobicContact CD1-CB 4.12Å; L113-L116 HydrophobicContact CD1-CD1 4.33Å; L113-L116 HydrophobicContact CD1-CD2 4.45Å; L113-L133 HydrophobicContact CD1-CB 4.16Å; L113-L133 HydrophobicContact CD1-CD2 4.04Å; L113-L133 HydrophobicContact CD1-CG 4.41Å; L113-K139 HydrophobicContact CD2-CB 3.86Å; L113-V140 HydrophobicContact CD2-CB 4.28Å; L113-V140 HydrophobicContact CD2-CG2 3.42Å; L113-V140 VanDerWaalsContact CD2-CG2 3.42Å; L113-C143 HydrophobicContact CD1-CB 3.66Å; L113-C143 VanDerWaalsContact CD1-SG 3.59Å; L113-C143 HydrophobicContact CG-CB 4.41Å
114H86.9Confident90Very high140 Ų14063.7 Ų63.765%0.64831%0.311SS*.SBendtrans-61-44.7173.3176.272.5000110.8V134H114-V134 WeakPolarHBondContact CB-O 3.43Å; H114-V134 PolarHBondContact N-O 3.35Å
115T89.4Confident89.4Confident45 Ų4564.4 Ų64.428%0.27632%0.317SS..EExtended strand (participates in β ladder)trans-141.3128175.5-66.10000110.2L113 K117 L133 V134L113-T115 VanDerWaalsContact C-N 3.32Å; L113-T115 PolarHBondContact O-N 3.33Å; T115-K117 HydrophobicContact CG2-CB 4.14Å; T115-L133 CarbonylContact O-C 3.33Å; T115-L133 WeakPolarHBondContact O-CA 3.45Å; T115-V134 HydrophobicContact CG2-CG2 4.46Å; T115-V134 PolarHBondContact N-O 2.97Å; T115-V134 PolarHBondContact O-N 2.83Å
116L93.7Very high89.2Confident8 Ų858.1 Ų58.14%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-130.796.8169173.461.5000108.4I104 L107 R108 L113 I131 Q132 L133 I147I104-L116 HydrophobicContact CD1-CD1 4.3Å; I104-L116 HydrophobicContact CD1-CD2 3.73Å; I104-L116 HydrophobicContact CD1-CG 3.72Å; L107-L116 HydrophobicContact CB-CD2 3.92Å; R108-L116 HydrophobicContact CG-CB 3.86Å; R108-L116 HydrophobicContact CG-CD2 3.83Å; R108-L116 HydrophobicContact CG-CG 4.12Å; R108-L116 PolarHBondContact NE-O 3.34Å; R108-L116 PolarHBondContact NH2-O 3.08Å; L113-L116 HydrophobicContact CB-CB 4.44Å; L113-L116 HydrophobicContact CD1-CB 4.12Å; L113-L116 HydrophobicContact CD1-CD1 4.33Å; L113-L116 HydrophobicContact CD1-CD2 4.45Å; L116-I131 HydrophobicContact CD1-CG2 4.01Å; L116-Q132 CarbonylContact C-O 3.56Å; L116-Q132 VanDerWaalsContact CA-O 3.31Å; L116-Q132 WeakPolarHBondContact CA-O 3.31Å; L116-L133 HydrophobicContact CD1-CD2 4.15Å; L116-L133 HydrophobicContact CD1-CG 3.78Å; L116-I147 HydrophobicContact CD1-CD1 4.36Å
117K91.8Very high89Confident95 Ų9556.3 Ų56.341%0.41328%0.284SS..EExtended strand (participates in β ladder)trans-121.3135.6-171.1-175.1-179.6176.5-173.60110.9T115 Y119 I131 Q132T115-K117 HydrophobicContact CG2-CB 4.14Å; K117-Y119 HydrophobicContact CD-CE1 4.39Å; K117-Y119 HydrophobicContact CD-CE2 4.4Å; K117-I131 CarbonylContact O-C 3.5Å; K117-I131 WeakPolarHBondContact O-CA 3.24Å; K117-Q132 PolarHBondContact N-O 2.83Å; K117-Q132 PolarHBondContact O-N 3.49Å
118V94.4Very high89.1Confident18 Ų1856.1 Ų56.111%0.10928%0.283CS..EExtended strand (participates in β ladder)trans-106.2116.9170.2-170.40000108.1A93 I97 I104 I131A93-V118 HydrophobicContact CB-CG1 4.29Å; I97-V118 HydrophobicContact CD1-CB 4.22Å; I97-V118 HydrophobicContact CD1-CG1 3.97Å; I97-V118 HydrophobicContact CG1-CB 4.2Å; I97-V118 HydrophobicContact CG1-CG1 4.26Å; I97-V118 HydrophobicContact CG1-CG2 4.06Å; I104-V118 HydrophobicContact CD1-CG2 4.05Å; I104-V118 HydrophobicContact CG1-CG2 4.39Å; V118-I131 HydrophobicContact CG1-CG1 4.06Å; V118-I131 HydrophobicContact CG2-CG1 4.08Å; V118-I131 HydrophobicContact CG2-CG2 4.32Å
119Y93.6Very high89.3Confident9 Ų952 Ų524%0.03527%0.267CS..  trans-70.8136.8180-73.6-92.8000110.4K117 R129 V130 Q132 P174 E175 Y176K117-Y119 HydrophobicContact CD-CE1 4.39Å; K117-Y119 HydrophobicContact CD-CE2 4.4Å; Y119-R129 PolarHBondContact O-NE 3.06Å; Y119-R129 PolarHBondContact O-NH2 2.95Å; Y119-V130 HydrophobicContact CD2-CB 3.94Å; Y119-V130 HydrophobicContact CD2-CG1 4.1Å; Y119-V130 WeakPolarHBondContact CD2-O 3.37Å; Y119-V130 HydrophobicContact CE2-CG1 4.39Å; Y119-V130 PolarHBondContact N-O 2.9Å; Y119-Q132 HydrophobicContact CE2-CB 3.8Å; Y119-Q132 PolarHBondContact OH-OE1 2.97Å; Y119-Q132 VanDerWaalsContact OH-OE1 3.08Å; Y119-P174 VanDerWaalsContact CE1-O 3.3Å; Y119-P174 WeakPolarHBondContact CE1-O 3.32Å; Y119-E175 VanDerWaalsContact CD1-O 3.31Å; Y119-E175 WeakPolarHBondContact CD1-O 3.26Å; Y119-Y176 WeakPolarHBondContact CB-O 3.45Å
120Q89.5Confident89.5Confident174 Ų17444.5 Ų44.581%0.81323%0.232SC*.SBendtrans-79.1-35.1-179.5-67.2-175.21800112.3
121M87.7Confident89.8Confident71 Ų7138.5 Ų38.535%0.3520%0.204SC..SBendtrans-71.4135.6176.6-172.6170.9-7100110.4I172 E175M121-I172 HydrophobicContact SD-CB 4.38Å; M121-E175 WeakPolarHBondContact CB-O 3.47Å; M121-E175 HydrophobicContact CE-CB 3.79Å; M121-E175 WeakPolarHBondContact CE-OE2 3.47Å; M121-E175 HydrophobicContact SD-CB 3.59Å; M121-E175 VanDerWaalsContact SD-CB 3.59Å
122L89.9Confident90.1Very high60 Ų6038.5 Ų38.531%0.31420%0.202SC..PPolyproline II helixtrans-70151.2171.8-56.4-177.3000109.6Q90 D128 R129Q90-L122 HydrophobicContact CB-CD2 3.76Å; L122-D128 WeakPolarHBondContact CA-O 3.27Å; L122-R129 HydrophobicContact CD2-CG 3.41Å; L122-R129 VanDerWaalsContact CD2-CG 3.41Å
123C89.1Confident90.6Very high2 Ų236.5 Ų36.51%0.01418%0.181CC..PPolyproline II helixtrans-60.8146.2168.9-600000109.8C125 S126 D128 V130 Y163 Y176C123-C125 PolarHBondContact O-N 3.44Å; C123-S126 WeakPolarHBondContact O-CB 3.25Å; C123-S126 PolarHBondContact O-N 2.83Å; C123-S126 VanDerWaalsContact O-N 3.11Å; C123-D128 PolarHBondContact N-O 2.87Å; C123-V130 VanDerWaalsContact SG-CG2 3.56Å; C123-Y163 HydrophobicContact CB-CD1 4.13Å; C123-Y163 HydrophobicContact CB-CD2 3.27Å; C123-Y163 HydrophobicContact CB-CE1 4.41Å; C123-Y163 HydrophobicContact CB-CE2 3.63Å; C123-Y163 HydrophobicContact CB-CG 3.54Å; C123-Y176 HydrophobicContact CB-CD2 4.28Å
124P82.5Confident90.7Very high19 Ų1935.8 Ų35.812%0.12318%0.178CC..THydrogen-bonded Turntrans-52.4133.5179.5-2531.9000111.2S126 Y163 N167 D169 I172 Y176P124-S126 PolarHBondContact O-N 2.76Å; P124-Y163 HydrophobicContact CB-CE2 4.43Å; P124-Y163 HydrophobicContact CG-CE2 4.43Å; P124-Y163 WeakPolarHBondContact O-CD2 3.41Å; P124-Y163 WeakPolarHBondContact O-CE2 3.36Å; P124-N167 HydrophobicContact CB-CB 4.34Å; P124-N167 WeakPolarHBondContact CB-O 3.3Å; P124-D169 HydrophobicContact CG-CB 4.48Å; P124-I172 HydrophobicContact CG-CD1 3.9Å; P124-Y176 HydrophobicContact CG-CD1 4.08Å; P124-Y176 HydrophobicContact CG-CE1 3.79Å
125C80.9Confident90.9Very high28 Ų2829.4 Ų29.419%0.18915%0.15CC..THydrogen-bonded Turntrans6126.2177-440000114.4C123 Q161 N167 C317C123-C125 PolarHBondContact O-N 3.44Å; C125-Q161 WeakPolarHBondContact O-CG 3.48Å; C125-Q161 PolarHBondContact O-NE2 3.05Å; C125-Q161 VanDerWaalsContact O-NE2 3.13Å; C125-N167 HydrophobicContact CB-CB 4.14Å; C125-N167 WeakPolarHBondContact CB-ND2 3.31Å; C125-N167 VanDerWaalsContact SG-CG 3.58Å; C125-C317 VanDerWaalsContact CA-SG 3.53Å; C125-C317 HydrophobicContact CB-CB 3.73Å; C125-C317 WeakPolarHBondContact CB-SG 3.47Å; C125-C317 WeakPolarHBondContact SG-CB 3.42Å; C125-C317 CovalentContact SG-SG 1.97Å; C125-C317 PolarHBondContact SG-SG 2.92Å
126S88.3Confident91Very high11 Ų1131.3 Ų31.38%0.07716%0.159CC..SBendtrans-140.3160.9-172.7-175.40000111.8C123 P124 D128 Q161 Y163C123-S126 WeakPolarHBondContact O-CB 3.25Å; C123-S126 PolarHBondContact O-N 2.83Å; C123-S126 VanDerWaalsContact O-N 3.11Å; P124-S126 PolarHBondContact O-N 2.76Å; S126-D128 WeakPolarHBondContact OG-CB 3.46Å; S126-D128 PolarHBondContact OG-N 3.34Å; S126-D128 PolarHBondContact OG-OD2 3.4Å; S126-Q161 PolarHBondContact OG-O 3.37Å; S126-Y163 VanDerWaalsContact OG-CA 3.31Å; S126-Y163 WeakPolarHBondContact OG-CA 3.31Å; S126-Y163 WeakPolarHBondContact OG-CB 3.16Å; S126-Y163 PolarHBondContact OG-N 3.19Å
127T88.5Confident90.7Very high12 Ų1231.7 Ų31.77%0.07416%0.161CC..SBendtrans-97.24.5167.955.40000112.2H89 Q90 Q161H89-T127 PolarHBondContact CD2-OG1 2.78Å; H89-T127 VanDerWaalsContact CD2-OG1 3.27Å; Q90-T127 WeakPolarHBondContact CB-O 3.5Å; Q90-T127 WeakPolarHBondContact CG-O 3.34Å; Q90-T127 PolarHBondContact N-O 2.89Å; T127-Q161 HydrophobicContact CG2-CB 4.11Å; T127-Q161 PolarHBondContact N-O 3.24Å; T127-Q161 PolarHBondContact OG1-N 2.96Å; T127-Q161 PolarHBondContact OG1-O 2.89Å
128D94.2Very high90.6Very high0 Ų028.9 Ų28.90%016%0.159CC..EExtended strand (participates in β ladder)trans-88.2148.1-178.5-61.3-39.4000112R12 L87 V88 L122 C123 S126 N162 Y163R12-D128 IonicContact CZ-OD1 3.15Å; R12-D128 IonicContact CZ-OD2 2.77Å; R12-D128 IonicContact NH1-OD1 3.16Å; R12-D128 IonicContact NH1-OD2 2.65Å; R12-D128 PolarHBondContact NH1-OD2 3.02Å; R12-D128 VanDerWaalsContact NH2-CG 3.32Å; R12-D128 IonicContact NH2-OD1 2.85Å; R12-D128 PolarHBondContact NH2-OD1 3.21Å; R12-D128 IonicContact NH2-OD2 3.69Å; R12-D128 PolarHBondContact NH2-OD2 3.45Å; L87-D128 HydrophobicContact CD2-CB 4.27Å; V88-D128 CarbonylContact O-C 3.41Å; V88-D128 VanDerWaalsContact O-CA 3.22Å; V88-D128 WeakPolarHBondContact O-CA 3.39Å; L122-D128 WeakPolarHBondContact CA-O 3.27Å; C123-D128 PolarHBondContact N-O 2.87Å; S126-D128 WeakPolarHBondContact OG-CB 3.46Å; S126-D128 PolarHBondContact OG-N 3.34Å; S126-D128 PolarHBondContact OG-OD2 3.4Å; D128-N162 WeakPolarHBondContact OD2-CA 3.48Å; D128-Y163 PolarHBondContact OD2-N 3.07Å
129R94.6Very high90.4Very high35 Ų3532 Ų3213%0.13217%0.171CC..EExtended strand (participates in β ladder)trans-116.1149.7170.6-70.4177.863.9-178.9-1.9109.2V88 Q90 A93 Y119 L122V88-R129 PolarHBondContact N-O 3.38Å; V88-R129 PolarHBondContact O-N 3.33Å; Q90-R129 HydrophobicContact CB-CG 4.27Å; A93-R129 HydrophobicContact CB-CB 4.08Å; A93-R129 HydrophobicContact CB-CG 4.43Å; Y119-R129 PolarHBondContact O-NE 3.06Å; Y119-R129 PolarHBondContact O-NH2 2.95Å; L122-R129 HydrophobicContact CD2-CG 3.41Å; L122-R129 VanDerWaalsContact CD2-CG 3.41Å
130V95.4Very high90.4Very high0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-90.9130.3175.3-176.70000110.2L14 R85 L86 L87 Y119 C123 Y176L14-V130 HydrophobicContact CD2-CG2 3.95Å; R85-V130 HydrophobicContact CB-CG1 3.76Å; R85-V130 HydrophobicContact CG-CG1 4.23Å; L86-V130 WeakPolarHBondContact O-CA 3.35Å; L87-V130 HydrophobicContact CD2-CG2 3.9Å; Y119-V130 HydrophobicContact CD2-CB 3.94Å; Y119-V130 HydrophobicContact CD2-CG1 4.1Å; Y119-V130 WeakPolarHBondContact CD2-O 3.37Å; Y119-V130 HydrophobicContact CE2-CG1 4.39Å; Y119-V130 PolarHBondContact N-O 2.9Å; C123-V130 VanDerWaalsContact SG-CG2 3.56Å; V130-Y176 VanDerWaalsContact CB-O 3.31Å; V130-Y176 WeakPolarHBondContact CB-O 3.34Å; V130-Y176 HydrophobicContact CG2-CD2 4.43Å; V130-Y176 WeakPolarHBondContact CG2-O 3.49Å
131I95.7Very high90.4Very high0 Ų023.4 Ų23.40%013%0.131CC..EExtended strand (participates in β ladder)trans-105.2117.2163.3-57.1172.9000107.1R85 L86 V88 V96 L116 K117 V118 L133 I147R85-I131 CarbonylContact C-O 3.59Å; R85-I131 VanDerWaalsContact CA-O 3.3Å; R85-I131 WeakPolarHBondContact CA-O 3.42Å; L86-I131 HydrophobicContact CB-CB 4.36Å; L86-I131 HydrophobicContact CD2-CD1 4.48Å; L86-I131 PolarHBondContact N-O 3.33Å; L86-I131 PolarHBondContact O-N 3.44Å; V88-I131 HydrophobicContact CB-CD1 4.4Å; V88-I131 HydrophobicContact CG1-CD1 3.9Å; V88-I131 HydrophobicContact CG2-CD1 3.57Å; V88-I131 HydrophobicContact CG2-CG1 3.87Å; V96-I131 HydrophobicContact CB-CD1 4.27Å; V96-I131 HydrophobicContact CG1-CD1 4.01Å; V96-I131 HydrophobicContact CG2-CD1 4.13Å; L116-I131 HydrophobicContact CD1-CG2 4.01Å; K117-I131 CarbonylContact O-C 3.5Å; K117-I131 WeakPolarHBondContact O-CA 3.24Å; V118-I131 HydrophobicContact CG1-CG1 4.06Å; V118-I131 HydrophobicContact CG2-CG1 4.08Å; V118-I131 HydrophobicContact CG2-CG2 4.32Å; I131-L133 HydrophobicContact CG2-CD1 3.99Å; I131-I147 HydrophobicContact CG2-CD1 4.33Å
132Q94.7Very high90.6Very high18 Ų1825 Ų258%0.08414%0.141CC..EExtended strand (participates in β ladder)trans-97.9127176.6178.2-177.238.400110.1D83 R85 L116 K117 Y119 V134D83-Q132 WeakPolarHBondContact OD1-CG 3.5Å; D83-Q132 PolarHBondContact OD1-NE2 3.39Å; D83-Q132 PolarHBondContact OD2-NE2 2.85Å; R85-Q132 HydrophobicContact CG-CB 4.29Å; R85-Q132 HydrophobicContact CG-CG 4.24Å; L116-Q132 CarbonylContact C-O 3.56Å; L116-Q132 VanDerWaalsContact CA-O 3.31Å; L116-Q132 WeakPolarHBondContact CA-O 3.31Å; K117-Q132 PolarHBondContact N-O 2.83Å; K117-Q132 PolarHBondContact O-N 3.49Å; Y119-Q132 HydrophobicContact CE2-CB 3.8Å; Y119-Q132 PolarHBondContact OH-OE1 2.97Å; Y119-Q132 VanDerWaalsContact OH-OE1 3.08Å; Q132-V134 HydrophobicContact CG-CG2 3.78Å
133L93.4Very high90.7Very high0 Ų022.2 Ų22.20%013%0.127CC..EExtended strand (participates in β ladder)trans-118.2115.9175.6-57.692.4000108L84 L86 L113 T115 L116 I131 V140 C143 I147L84-L133 PolarHBondContact N-O 2.84Å; L84-L133 PolarHBondContact O-N 3.4Å; L86-L133 HydrophobicContact CB-CD1 4.45Å; L113-L133 HydrophobicContact CD1-CB 4.16Å; L113-L133 HydrophobicContact CD1-CD2 4.04Å; L113-L133 HydrophobicContact CD1-CG 4.41Å; T115-L133 CarbonylContact O-C 3.33Å; T115-L133 WeakPolarHBondContact O-CA 3.45Å; L116-L133 HydrophobicContact CD1-CD2 4.15Å; L116-L133 HydrophobicContact CD1-CG 3.78Å; I131-L133 HydrophobicContact CG2-CD1 3.99Å; L133-V140 HydrophobicContact CB-CG1 4.2Å; L133-C143 HydrophobicContact CD2-CB 3.91Å; L133-I147 HydrophobicContact CD2-CD1 3.91Å
134V91.3Very high90.9Very high6 Ų622.1 Ų22.14%0.03613%0.126CC..EExtended strand (participates in β ladder)trans-122.8127.5176.4-1670000109.5V82 D83 H114 T115 Q132V82-V134 VanDerWaalsContact O-CA 3.28Å; V82-V134 WeakPolarHBondContact O-CA 3.35Å; D83-V134 HydrophobicContact CB-CG2 4.17Å; H114-V134 WeakPolarHBondContact CB-O 3.43Å; H114-V134 PolarHBondContact N-O 3.35Å; T115-V134 HydrophobicContact CG2-CG2 4.46Å; T115-V134 PolarHBondContact N-O 2.97Å; T115-V134 PolarHBondContact O-N 2.83Å; Q132-V134 HydrophobicContact CG-CG2 3.78Å
135G90.9Very high91.3Very high7 Ų727.7 Ų27.77%0.07215%0.145CC..EExtended strand (participates in β ladder)trans167.4-162.4176.800000112.6G81 V82G81-G135 CarbonylContact C-O 3.27Å; G81-G135 WeakPolarHBondContact CA-O 3.46Å; V82-G135 PolarHBondContact N-O 2.81Å; V82-G135 PolarHBondContact O-N 2.87Å
136D90.1Very high91.8Very high85 Ų8528.4 Ų28.446%0.45515%0.15SC..  trans-63.5146.9174.1-59.6-64.9000111.4G138 K139 V140D136-G138 VanDerWaalsContact C-N 3.29Å; D136-G138 PolarHBondContact O-N 2.8Å; D136-K139 HydrophobicContact CB-CB 4.42Å; D136-K139 HydrophobicContact CB-CD 4.26Å; D136-K139 HydrophobicContact CB-CG 4.28Å; D136-K139 PolarHBondContact O-N 2.99Å; D136-K139 VanDerWaalsContact O-N 3.15Å; D136-K139 WeakPolarHBondContact OD2-CE 3.05Å; D136-K139 IonicContact OD2-NZ 3.92Å; D136-K139 PolarHBondContact OD2-NZ 2.94Å; D136-V140 WeakPolarHBondContact O-CG2 3.29Å; D136-V140 PolarHBondContact O-N 2.88Å
137V88.5Confident92Very high16 Ų1627.9 Ų27.910%0.09715%0.146CC..Hα-helixtrans-52.8-46.9-180179.40000111.2L71 E72 V82 V140 L141L71-V137 HydrophobicContact CB-CG1 4.33Å; L71-V137 HydrophobicContact CB-CG2 4.42Å; E72-V137 HydrophobicContact CG-CG2 4.48Å; V82-V137 HydrophobicContact CG1-CG2 3.71Å; V82-V137 HydrophobicContact CG2-CG2 4.17Å; V137-V140 PolarHBondContact O-N 2.83Å; V137-L141 HydrophobicContact CG1-CD1 3.88Å; V137-L141 HydrophobicContact CG1-CG 4.36Å; V137-L141 WeakPolarHBondContact O-CB 3.16Å; V137-L141 WeakPolarHBondContact O-CG 3.43Å; V137-L141 PolarHBondContact O-N 3.28Å
138G88.9Confident92.1Very high35 Ų3527.4 Ų27.436%0.36114%0.143SC..Hα-helixtrans-57.7-5217800000112.8D136 V140 L141 D142D136-G138 VanDerWaalsContact C-N 3.29Å; D136-G138 PolarHBondContact O-N 2.8Å; G138-V140 VanDerWaalsContact C-N 3.35Å; G138-V140 PolarHBondContact O-N 2.93Å; G138-L141 PolarHBondContact O-N 2.69Å; G138-D142 VanDerWaalsContact O-CG 3.29Å; G138-D142 PolarHBondContact O-N 2.77Å
139K91.4Very high91.9Very high84 Ų8431.9 Ų31.937%0.36516%0.164SC..Hα-helixtrans-64.5-37.3-179.1-65.2178.1-174153.60112.8L113 D136 C143L113-K139 HydrophobicContact CD2-CB 3.86Å; D136-K139 HydrophobicContact CB-CB 4.42Å; D136-K139 HydrophobicContact CB-CD 4.26Å; D136-K139 HydrophobicContact CB-CG 4.28Å; D136-K139 PolarHBondContact O-N 2.99Å; D136-K139 VanDerWaalsContact O-N 3.15Å; D136-K139 WeakPolarHBondContact OD2-CE 3.05Å; D136-K139 IonicContact OD2-NZ 3.92Å; D136-K139 PolarHBondContact OD2-NZ 2.94Å; K139-C143 VanDerWaalsContact O-CB 3.31Å; K139-C143 WeakPolarHBondContact O-CB 3.41Å; K139-C143 PolarHBondContact O-N 3.28Å
140V92.1Very high91.7Very high0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-66-42.9177.5170.60000110.6V82 L84 L113 L133 D136 V137 G138 C143 L144V82-V140 HydrophobicContact CG2-CB 4.11Å; V82-V140 HydrophobicContact CG2-CG1 4.29Å; V82-V140 HydrophobicContact CG2-CG2 3.86Å; L84-V140 HydrophobicContact CB-CG1 3.87Å; L84-V140 HydrophobicContact CD2-CG1 3.77Å; L84-V140 HydrophobicContact CG-CG1 4.49Å; L113-V140 HydrophobicContact CD2-CB 4.28Å; L113-V140 HydrophobicContact CD2-CG2 3.42Å; L113-V140 VanDerWaalsContact CD2-CG2 3.42Å; L133-V140 HydrophobicContact CB-CG1 4.2Å; D136-V140 WeakPolarHBondContact O-CG2 3.29Å; D136-V140 PolarHBondContact O-N 2.88Å; V137-V140 PolarHBondContact O-N 2.83Å; G138-V140 VanDerWaalsContact C-N 3.35Å; G138-V140 PolarHBondContact O-N 2.93Å; V140-C143 PolarHBondContact O-N 2.77Å; V140-L144 VanDerWaalsContact O-CB 3.28Å; V140-L144 WeakPolarHBondContact O-CB 3.48Å; V140-L144 PolarHBondContact O-N 2.83Å
141L91.4Very high91.4Very high2 Ų233.1 Ų33.11%0.0117%0.173CC..Hα-helixtrans-66.4-42.2177.2-67.8175000112.2I64 F67 R68 L71 V137 G138 C143 L144 R145I64-L141 HydrophobicContact CG2-CB 4.28Å; I64-L141 HydrophobicContact CG2-CD1 4.34Å; I64-L141 HydrophobicContact CG2-CD2 4.27Å; F67-L141 HydrophobicContact CB-CD2 3.54Å; R68-L141 HydrophobicContact CB-CD1 3.73Å; R68-L141 HydrophobicContact CG-CD1 4.13Å; L71-L141 HydrophobicContact CD1-CD2 4.22Å; V137-L141 HydrophobicContact CG1-CD1 3.88Å; V137-L141 HydrophobicContact CG1-CG 4.36Å; V137-L141 WeakPolarHBondContact O-CB 3.16Å; V137-L141 WeakPolarHBondContact O-CG 3.43Å; V137-L141 PolarHBondContact O-N 3.28Å; G138-L141 PolarHBondContact O-N 2.69Å; L141-C143 VanDerWaalsContact C-N 3.34Å; L141-C143 PolarHBondContact O-N 2.77Å; L141-L144 PolarHBondContact O-N 3.3Å; L141-R145 PolarHBondContact O-N 3.12Å
142D91.7Very high90.9Very high105 Ų10538.6 Ų38.656%0.56120%0.199SC*.Hα-helixtrans-62.4-43.1176.3-68.3-25.9000111G138 R145 S146G138-D142 VanDerWaalsContact O-CG 3.29Å; G138-D142 PolarHBondContact O-N 2.77Å; D142-R145 WeakPolarHBondContact O-CB 3.49Å; D142-R145 PolarHBondContact O-N 2.96Å; D142-S146 PolarHBondContact O-N 2.95Å; D142-S146 PolarHBondContact O-OG 2.79Å
143C91.7Very high90.5Very high2 Ų241 Ų411%0.01423%0.229CC..Hα-helixtrans-66.1-41175.5-167.80000112.3L113 L133 K139 V140 L141 R145 S146 I147L113-C143 HydrophobicContact CD1-CB 3.66Å; L113-C143 VanDerWaalsContact CD1-SG 3.59Å; L113-C143 HydrophobicContact CG-CB 4.41Å; L133-C143 HydrophobicContact CD2-CB 3.91Å; K139-C143 VanDerWaalsContact O-CB 3.31Å; K139-C143 WeakPolarHBondContact O-CB 3.41Å; K139-C143 PolarHBondContact O-N 3.28Å; V140-C143 PolarHBondContact O-N 2.77Å; L141-C143 VanDerWaalsContact C-N 3.34Å; L141-C143 PolarHBondContact O-N 2.77Å; C143-R145 VanDerWaalsContact C-N 3.28Å; C143-R145 PolarHBondContact O-N 2.9Å; C143-S146 PolarHBondContact O-N 2.78Å; C143-I147 WeakPolarHBondContact O-CG1 3.42Å; C143-I147 PolarHBondContact O-N 2.98Å
144L92.6Very high90.1Very high0 Ų041.7 Ų41.70%024%0.235CC..Hα-helixtrans-59.2-41.8177178.565000111.1F13 F67 L84 L86 V140 L141 I147 A148F13-L144 HydrophobicContact CE1-CD1 3.83Å; F13-L144 HydrophobicContact CE1-CD2 4.22Å; F13-L144 HydrophobicContact CZ-CD1 4.03Å; F13-L144 HydrophobicContact CZ-CD2 4.15Å; F67-L144 HydrophobicContact CD2-CD2 4.12Å; F67-L144 HydrophobicContact CE2-CD2 4.46Å; L84-L144 HydrophobicContact CD2-CD2 4.07Å; L86-L144 HydrophobicContact CD1-CD1 4.43Å; L86-L144 HydrophobicContact CD2-CD1 4.46Å; V140-L144 VanDerWaalsContact O-CB 3.28Å; V140-L144 WeakPolarHBondContact O-CB 3.48Å; V140-L144 PolarHBondContact O-N 2.83Å; L141-L144 PolarHBondContact O-N 3.3Å; L144-I147 PolarHBondContact O-N 2.79Å; L144-A148 WeakPolarHBondContact O-CB 3.44Å; L144-A148 PolarHBondContact O-N 3.32Å
145R91.5Very high89.7Confident136 Ų13645.4 Ų45.451%0.51326%0.259SS..Hα-helixtrans-57.9-51.4175.2-176.3-178.3176.21674.8111.2L60 I64 L141 D142 C143 I147 A148 E149L60-R145 HydrophobicContact CD2-CG 4.22Å; I64-R145 HydrophobicContact CD1-CB 3.91Å; I64-R145 HydrophobicContact CD1-CG 4.09Å; L141-R145 PolarHBondContact O-N 3.12Å; D142-R145 WeakPolarHBondContact O-CB 3.49Å; D142-R145 PolarHBondContact O-N 2.96Å; C143-R145 VanDerWaalsContact C-N 3.28Å; C143-R145 PolarHBondContact O-N 2.9Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-I147 PolarHBondContact O-N 2.94Å; R145-A148 PolarHBondContact O-N 3.09Å; R145-A148 VanDerWaalsContact O-N 3.16Å; R145-E149 IonicContact NE-OE1 3.92Å; R145-E149 PolarHBondContact NE-OE1 2.97Å; R145-E149 WeakPolarHBondContact O-CG 3.23Å; R145-E149 PolarHBondContact O-N 2.92Å
146S91.2Very high89.5Confident42 Ų4247.8 Ų47.829%0.29427%0.273SS..Hα-helixtrans-60.6-38178.3-57.70000112.6D142 C143 L150D142-S146 PolarHBondContact O-N 2.95Å; D142-S146 PolarHBondContact O-OG 2.79Å; C143-S146 PolarHBondContact O-N 2.78Å; S146-L150 VanDerWaalsContact O-CG 3.31Å; S146-L150 WeakPolarHBondContact O-CG 3.18Å; S146-L150 PolarHBondContact O-N 2.93Å
147I92.5Very high89.2Confident0 Ų050.9 Ų50.90%028%0.283CS..Hα-helixtrans-68.3-42.7175.8-66.9174000110.8L86 V96 L107 L116 I131 L133 C143 L144 R145 E149 L150 L151L86-I147 HydrophobicContact CD2-CG2 3.68Å; V96-I147 HydrophobicContact CG2-CG2 4.3Å; L107-I147 HydrophobicContact CD1-CG1 4.25Å; L116-I147 HydrophobicContact CD1-CD1 4.36Å; I131-I147 HydrophobicContact CG2-CD1 4.33Å; L133-I147 HydrophobicContact CD2-CD1 3.91Å; C143-I147 WeakPolarHBondContact O-CG1 3.42Å; C143-I147 PolarHBondContact O-N 2.98Å; L144-I147 PolarHBondContact O-N 2.79Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-I147 PolarHBondContact O-N 2.94Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3.17Å; I147-L150 WeakPolarHBondContact O-CB 3.23Å; I147-L150 PolarHBondContact O-N 3.13Å; I147-L150 VanDerWaalsContact O-N 3.14Å; I147-L151 HydrophobicContact CG2-CD1 3.96Å; I147-L151 HydrophobicContact CG2-CG 4.19Å; I147-L151 VanDerWaalsContact O-CG 3.29Å; I147-L151 WeakPolarHBondContact O-CG 2.97Å; I147-L151 PolarHBondContact O-N 3.35Å
148A91.2Very high89Confident2 Ų253.7 Ų53.72%0.01731%0.314CS..Hα-helixtrans-60.3-43.4178.800000111.8L11 L60 L144 R145 L150 L151 E152L11-A148 HydrophobicContact CD1-CB 4.22Å; L60-A148 HydrophobicContact CD1-CB 3.58Å; L60-A148 HydrophobicContact CD2-CB 4.02Å; L60-A148 HydrophobicContact CG-CB 4.47Å; L144-A148 WeakPolarHBondContact O-CB 3.44Å; L144-A148 PolarHBondContact O-N 3.32Å; R145-A148 PolarHBondContact O-N 3.09Å; R145-A148 VanDerWaalsContact O-N 3.16Å; A148-L150 VanDerWaalsContact C-N 3.31Å; A148-L150 PolarHBondContact O-N 3.22Å; A148-L151 PolarHBondContact O-N 2.9Å; A148-L151 VanDerWaalsContact O-N 3.16Å; A148-E152 PolarHBondContact O-N 3.01Å
149E89.3Confident88.7Confident94 Ų9456.3 Ų56.344%0.43933%0.327SS..Hα-helixtrans-60.9-38.2174.9-69.4173.1-170.500111.7R145 I147 E152 G153R145-E149 IonicContact NE-OE1 3.92Å; R145-E149 PolarHBondContact NE-OE1 2.97Å; R145-E149 WeakPolarHBondContact O-CG 3.23Å; R145-E149 PolarHBondContact O-N 2.92Å; I147-E149 VanDerWaalsContact C-N 3.34Å; I147-E149 PolarHBondContact O-N 3.17Å; E149-E152 PolarHBondContact O-N 3.01Å; E149-G153 PolarHBondContact O-N 3.39Å
150L89.5Confident88.4Confident44 Ų4457.6 Ų57.623%0.2333%0.33CS..Hα-helixtrans-68.8-34.8174.6-69.4170.5000113.2K103 L107 S146 I147 A148 A154K103-L150 HydrophobicContact CG-CD1 4.16Å; L107-L150 HydrophobicContact CD1-CD1 3.83Å; L107-L150 HydrophobicContact CD2-CD1 4.39Å; S146-L150 VanDerWaalsContact O-CG 3.31Å; S146-L150 WeakPolarHBondContact O-CG 3.18Å; S146-L150 PolarHBondContact O-N 2.93Å; I147-L150 WeakPolarHBondContact O-CB 3.23Å; I147-L150 PolarHBondContact O-N 3.13Å; I147-L150 VanDerWaalsContact O-N 3.14Å; A148-L150 VanDerWaalsContact C-N 3.31Å; A148-L150 PolarHBondContact O-N 3.22Å; L150-A154 WeakPolarHBondContact O-CB 3.29Å; L150-A154 PolarHBondContact O-N 2.87Å
151L89.4Confident88.1Confident18 Ų1862.8 Ų62.89%0.09435%0.354CS..Hα-helixtrans-71.5-33.2178-67.7174.5000111.9L11 L86 V88 Q92 V96 I147 A148 A154L11-L151 HydrophobicContact CD2-CD1 4.15Å; L86-L151 HydrophobicContact CD2-CD1 3.97Å; V88-L151 HydrophobicContact CB-CD2 4.34Å; V88-L151 HydrophobicContact CG1-CD1 3.69Å; V88-L151 HydrophobicContact CG1-CD2 3.88Å; V88-L151 HydrophobicContact CG1-CG 4.45Å; Q92-L151 HydrophobicContact CB-CD2 3.66Å; Q92-L151 HydrophobicContact CG-CD2 4.28Å; V96-L151 HydrophobicContact CG2-CD2 3.99Å; I147-L151 HydrophobicContact CG2-CD1 3.96Å; I147-L151 HydrophobicContact CG2-CG 4.19Å; I147-L151 VanDerWaalsContact O-CG 3.29Å; I147-L151 WeakPolarHBondContact O-CG 2.97Å; I147-L151 PolarHBondContact O-N 3.35Å; A148-L151 PolarHBondContact O-N 2.9Å; A148-L151 VanDerWaalsContact O-N 3.16Å; L151-A154 CarbonylContact O-C 3.52Å; L151-A154 PolarHBondContact O-N 2.82Å; L151-A154 VanDerWaalsContact O-O 3.08Å
152E86.4Confident88Confident114 Ų11466.1 Ų66.153%0.53337%0.372SS..Hα-helixtrans-63.8-41.2175.4-171.9173.7-173.600111.6P7 A148 E149 A154P7-E152 WeakPolarHBondContact CB-OE1 3.42Å; A148-E152 PolarHBondContact O-N 3.01Å; E149-E152 PolarHBondContact O-N 3.01Å; E152-A154 PolarHBondContact O-N 2.91Å
153G85Confident88Confident70 Ų7061.6 Ų61.672%0.72235%0.347SS*.THydrogen-bonded Turntrans-72.4-10.8174.900000114.9E149E149-G153 PolarHBondContact O-N 3.39Å
154A85.3Confident87.8Confident14 Ų1463.2 Ų63.212%0.11636%0.356CS..SBendtrans-125.585.5-17400000111.1Q92 C95 L150 L151 E152Q92-A154 WeakPolarHBondContact CG-O 3.18Å; Q92-A154 PolarHBondContact NE2-O 3.12Å; C95-A154 HydrophobicContact CB-CB 3.91Å; L150-A154 WeakPolarHBondContact O-CB 3.29Å; L150-A154 PolarHBondContact O-N 2.87Å; L151-A154 CarbonylContact O-C 3.52Å; L151-A154 PolarHBondContact O-N 2.82Å; L151-A154 VanDerWaalsContact O-O 3.08Å; E152-A154 PolarHBondContact O-N 2.91Å
155P83.5Confident87.6Confident84 Ų8463.3 Ų63.355%0.54536%0.356SS..  trans-61.4144.5176.825.4-33.8000110.7K157P155-K157 PolarHBondContact O-N 3.27Å
156P85.5Confident87.1Confident57 Ų5763.5 Ų63.537%0.3736%0.357SS..  trans-63.6129.117926.6-32.8000110.1H89 Q92H89-P156 HydrophobicContact CB-CB 4.06Å; Q92-P156 HydrophobicContact CG-CB 4.31Å
157K85Confident86.6Confident150 Ų15062.4 Ų62.465%0.65235%0.348SS*.  trans-105.5136.1-179.9-56.8-179.4-179.1178.70110.8H89 S91 P155H89-K157 PolarHBondContact CE1-O 3.1Å; S91-K157 WeakPolarHBondContact OG-CB 3.3Å; P155-K157 PolarHBondContact O-N 3.27Å
158G83.7Confident86.1Confident74 Ų7463 Ų6376%0.76335%0.352SS*.SBendtrans89.2-160.9177.800000113.4R160G158-R160 PolarHBondContact O-N 2.98Å
159S81.9Confident85.4Confident90 Ų9064.1 Ų64.163%0.62936%0.358SS*.  trans-65.9132178.350.30000110.7H89H89-S159 PolarHBondContact NE2-O 2.79Å
160R85.9Confident84.8Confident111 Ų11163.3 Ų63.342%0.41935%0.354SS..  trans-110.6106.1174.4-177.1178.7173.7-165-3108.8E10 G158 N162E10-R160 IonicContact OE1-CZ 3.17Å; E10-R160 IonicContact OE1-NH2 3.33Å; E10-R160 PolarHBondContact OE1-NH2 3.21Å; E10-R160 IonicContact OE2-NH1 3.66Å; E10-R160 IonicContact OE2-NH2 2.69Å; G158-R160 PolarHBondContact O-N 2.98Å; R160-N162 WeakPolarHBondContact CG-OD1 3.4Å; R160-N162 PolarHBondContact NE-OD1 3.39Å; R160-N162 PolarHBondContact NH2-OD1 3.32Å
161Q86Confident84.1Confident110 Ų11068.3 Ų68.351%0.51438%0.375SS..  trans-111.7110166.6-173170.39.400107.7C125 S126 T127C125-Q161 WeakPolarHBondContact O-CG 3.48Å; C125-Q161 PolarHBondContact O-NE2 3.05Å; C125-Q161 VanDerWaalsContact O-NE2 3.13Å; S126-Q161 PolarHBondContact OG-O 3.37Å; T127-Q161 HydrophobicContact CG2-CB 4.11Å; T127-Q161 PolarHBondContact N-O 3.24Å; T127-Q161 PolarHBondContact OG1-N 2.96Å; T127-Q161 PolarHBondContact OG1-O 2.89Å
162N90Very high83.7Confident72 Ų7269 Ų6939%0.38538%0.378SS..  trans-71140.7179.9-72.5-10.6000110.1R12 D128 R160R12-N162 PolarHBondContact NH1-OD1 3.38Å; R12-N162 PolarHBondContact NH2-OD1 3.08Å; D128-N162 WeakPolarHBondContact OD2-CA 3.48Å; R160-N162 WeakPolarHBondContact CG-OD1 3.4Å; R160-N162 PolarHBondContact NE-OD1 3.39Å; R160-N162 PolarHBondContact NH2-OD1 3.32Å
163Y91.6Very high83.5Confident10 Ų1063.7 Ų63.74%0.03935%0.353CS..  trans-64.5140176.5-177.1-124.1000111.8L14 E51 V53 L87 C123 P124 S126 D128 N167 A168 Y176L14-Y163 HydrophobicContact CD1-CD1 4.12Å; L14-Y163 HydrophobicContact CD1-CE1 3.76Å; E51-Y163 WeakPolarHBondContact OE1-CE1 3.5Å; E51-Y163 VanDerWaalsContact OE1-CZ 3.27Å; E51-Y163 PolarHBondContact OE1-OH 3.16Å; V53-Y163 HydrophobicContact CG2-CD1 4.08Å; L87-Y163 HydrophobicContact CD1-CD1 4.19Å; L87-Y163 HydrophobicContact CD2-CD1 4.26Å; C123-Y163 HydrophobicContact CB-CD1 4.13Å; C123-Y163 HydrophobicContact CB-CD2 3.27Å; C123-Y163 HydrophobicContact CB-CE1 4.41Å; C123-Y163 HydrophobicContact CB-CE2 3.63Å; C123-Y163 HydrophobicContact CB-CG 3.54Å; P124-Y163 HydrophobicContact CB-CE2 4.43Å; P124-Y163 HydrophobicContact CG-CE2 4.43Å; P124-Y163 WeakPolarHBondContact O-CD2 3.41Å; P124-Y163 WeakPolarHBondContact O-CE2 3.36Å; S126-Y163 VanDerWaalsContact OG-CA 3.31Å; S126-Y163 WeakPolarHBondContact OG-CA 3.31Å; S126-Y163 WeakPolarHBondContact OG-CB 3.16Å; S126-Y163 PolarHBondContact OG-N 3.19Å; D128-Y163 PolarHBondContact OD2-N 3.07Å; Y163-N167 HydrophobicContact CE2-CB 4.38Å; Y163-A168 VanDerWaalsContact OH-CA 3.24Å; Y163-A168 WeakPolarHBondContact OH-CA 3.35Å; Y163-A168 PolarHBondContact OH-N 3.21Å; Y163-Y176 PolarHBondContact OH-OH 3.11Å
164D87.7Confident83.3Confident36 Ų3663.3 Ų63.319%0.19334%0.339CS..  trans-119.4118.3174-179.5-10.8000108.2R166 N167D164-R166 PolarHBondContact O-N 2.9Å; D164-R166 WeakPolarHBondContact OD1-CB 3.41Å; D164-R166 WeakPolarHBondContact OD1-CG 3.33Å; D164-R166 PolarHBondContact OD1-N 3.31Å; D164-R166 IonicContact OD1-NE 3.13Å; D164-R166 PolarHBondContact OD1-NE 3.36Å; D164-R166 VanDerWaalsContact OD1-NE 3.16Å; D164-R166 IonicContact OD2-CZ 3.52Å; D164-R166 IonicContact OD2-NE 2.82Å; D164-R166 PolarHBondContact OD2-NE 3.48Å; D164-R166 IonicContact OD2-NH2 3.56Å; D164-R166 PolarHBondContact OD2-NH2 2.53Å; D164-N167 WeakPolarHBondContact O-CB 3.28Å; D164-N167 PolarHBondContact O-N 2.84Å
165A87Confident83.3Confident2 Ų267.5 Ų67.52%0.01736%0.356CS..G310 helixtrans-61.4-14.5-178.400000113.8E51 V53 N167 A168E51-A165 HydrophobicContact CG-CB 4.32Å; E51-A165 WeakPolarHBondContact O-CB 3.24Å; V53-A165 HydrophobicContact CG2-CB 4.13Å; A165-N167 PolarHBondContact O-N 3.12Å; A165-A168 VanDerWaalsContact O-CB 3.22Å; A165-A168 WeakPolarHBondContact O-CB 3.22Å; A165-A168 PolarHBondContact O-N 2.78Å
166R81.4Confident83.6Confident139 Ų13963.6 Ų63.653%0.52533%0.33SS..G310 helixtrans-66.9-20.5170.3-62.5177.8-64.6179.60.3112.6D164 A168 R314D164-R166 PolarHBondContact O-N 2.9Å; D164-R166 WeakPolarHBondContact OD1-CB 3.41Å; D164-R166 WeakPolarHBondContact OD1-CG 3.33Å; D164-R166 PolarHBondContact OD1-N 3.31Å; D164-R166 IonicContact OD1-NE 3.13Å; D164-R166 PolarHBondContact OD1-NE 3.36Å; D164-R166 VanDerWaalsContact OD1-NE 3.16Å; D164-R166 IonicContact OD2-CZ 3.52Å; D164-R166 IonicContact OD2-NE 2.82Å; D164-R166 PolarHBondContact OD2-NE 3.48Å; D164-R166 IonicContact OD2-NH2 3.56Å; D164-R166 PolarHBondContact OD2-NH2 2.53Å; R166-A168 VanDerWaalsContact C-N 3.29Å; R166-R314 PolarHBondContact O-NE 3.49Å; R166-R314 PolarHBondContact O-NH2 3.24Å
167N81.8Confident83.8Confident20 Ų2060.9 Ų60.911%0.10731%0.312CS..G310 helixtrans-88.65.6175.3-62.1-37.9000113P124 C125 Y163 D164 A165 D169P124-N167 HydrophobicContact CB-CB 4.34Å; P124-N167 WeakPolarHBondContact CB-O 3.3Å; C125-N167 HydrophobicContact CB-CB 4.14Å; C125-N167 WeakPolarHBondContact CB-ND2 3.31Å; C125-N167 VanDerWaalsContact SG-CG 3.58Å; Y163-N167 HydrophobicContact CE2-CB 4.38Å; D164-N167 WeakPolarHBondContact O-CB 3.28Å; D164-N167 PolarHBondContact O-N 2.84Å; A165-N167 PolarHBondContact O-N 3.12Å; N167-D169 PolarHBondContact O-N 3.09Å
168A80.7Confident83.9Confident11 Ų1153.8 Ų53.89%0.09128%0.281CS..  trans-52.7125.2174.400000110.4E51 Y163 A165 R166 R314E51-A168 HydrophobicContact CG-CB 3.8Å; E51-A168 WeakPolarHBondContact OE1-CB 3.31Å; Y163-A168 VanDerWaalsContact OH-CA 3.24Å; Y163-A168 WeakPolarHBondContact OH-CA 3.35Å; Y163-A168 PolarHBondContact OH-N 3.21Å; A165-A168 VanDerWaalsContact O-CB 3.22Å; A165-A168 WeakPolarHBondContact O-CB 3.22Å; A165-A168 PolarHBondContact O-N 2.78Å; R166-A168 VanDerWaalsContact C-N 3.29Å; A168-R314 PolarHBondContact O-NH2 3.44Å
169D77.3Confident84Confident26 Ų2651.7 Ų51.714%0.13925%0.251CS..  trans-110.8119171.3-175-36.1000107.3P124 N167 F171 I172 S173 Y367P124-D169 HydrophobicContact CG-CB 4.48Å; N167-D169 PolarHBondContact O-N 3.09Å; D169-F171 VanDerWaalsContact C-N 3.29Å; D169-F171 PolarHBondContact O-N 2.82Å; D169-F171 WeakPolarHBondContact OD1-CB 3.4Å; D169-F171 PolarHBondContact OD1-N 3.46Å; D169-I172 HydrophobicContact CB-CD1 4Å; D169-I172 HydrophobicContact CB-CG1 3.6Å; D169-S173 WeakPolarHBondContact O-CB 3.11Å; D169-S173 PolarHBondContact O-N 2.75Å; D169-Y367 PolarHBondContact OD2-OH 3.33Å
170E76Confident83.5Confident77 Ų7747.4 Ų47.436%0.3622%0.221SC..THydrogen-bonded Turntrans-61.8-37.1-174.5-16752.1-104.600111.9S173 G180 V181E170-S173 WeakPolarHBondContact O-CB 3.33Å; E170-S173 PolarHBondContact O-OG 3.11Å; E170-G180 WeakPolarHBondContact OE1-CA 3.49Å; E170-V181 HydrophobicContact CG-CG2 3.61Å; E170-V181 WeakPolarHBondContact OE1-CG2 3.32Å; E170-V181 PolarHBondContact OE1-N 3.16Å
171F75.2Confident82.3Confident149 Ų14947.7 Ų47.765%0.65424%0.235SC*.THydrogen-bonded Turntrans-74.3-40.7-174.8-177.1-95.3000112.6D169 P174 R366D169-F171 VanDerWaalsContact C-N 3.29Å; D169-F171 PolarHBondContact O-N 2.82Å; D169-F171 WeakPolarHBondContact OD1-CB 3.4Å; D169-F171 PolarHBondContact OD1-N 3.46Å; F171-P174 WeakPolarHBondContact O-CD 3.29Å; F171-R366 VanDerWaalsContact CD1-NH2 3.29Å
172I81.2Confident80.8Confident33 Ų3345.5 Ų45.517%0.16924%0.242CC..THydrogen-bonded Turntrans-93.50.2178.458.7168.6000113.1M121 P124 D169 P174 E175 Y176M121-I172 HydrophobicContact SD-CB 4.38Å; P124-I172 HydrophobicContact CG-CD1 3.9Å; D169-I172 HydrophobicContact CB-CD1 4Å; D169-I172 HydrophobicContact CB-CG1 3.6Å; I172-P174 VanDerWaalsContact C-N 3.33Å; I172-E175 WeakPolarHBondContact O-CB 3.2Å; I172-E175 PolarHBondContact O-N 2.86Å; I172-Y176 HydrophobicContact CB-CD1 4.47Å; I172-Y176 HydrophobicContact CD1-CD1 4.33Å; I172-Y176 HydrophobicContact CG1-CD1 4.05Å; I172-Y176 HydrophobicContact CG1-CE1 4.06Å; I172-Y176 WeakPolarHBondContact O-CD1 3.19Å; I172-Y176 PolarHBondContact O-N 3.05Å
173S82.2Confident79.1Confident2 Ų243.2 Ų43.21%0.01423%0.23CC..Hα-helixtrans-47.2-42.9175.377.20000114.9D169 E170 E175 G177 G178 G180D169-S173 WeakPolarHBondContact O-CB 3.11Å; D169-S173 PolarHBondContact O-N 2.75Å; E170-S173 WeakPolarHBondContact O-CB 3.33Å; E170-S173 PolarHBondContact O-OG 3.11Å; S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 3.36Å; S173-G177 CarbonylContact O-C 3.14Å; S173-G177 WeakPolarHBondContact O-CA 3.41Å; S173-G177 PolarHBondContact O-N 2.64Å; S173-G178 PolarHBondContact O-N 3.14Å; S173-G180 WeakPolarHBondContact OG-CA 3.46Å; S173-G180 PolarHBondContact OG-N 2.79Å
174P81.4Confident77.1Confident63 Ų6349.7 Ų49.741%0.40926%0.26SS..Hα-helixtrans-72.4-19.1177.831-36.3000113.3Y119 F171 I172Y119-P174 VanDerWaalsContact CE1-O 3.3Å; Y119-P174 WeakPolarHBondContact CE1-O 3.32Å; F171-P174 WeakPolarHBondContact O-CD 3.29Å; I172-P174 VanDerWaalsContact C-N 3.33Å
175E85.5Confident75.2Confident102 Ų10249.5 Ų49.548%0.47727%0.267SS..Hα-helixtrans-85-36.1-177.6-63.1-175.7175.600112.6Y119 M121 I172 S173Y119-E175 VanDerWaalsContact CD1-O 3.31Å; Y119-E175 WeakPolarHBondContact CD1-O 3.26Å; M121-E175 WeakPolarHBondContact CB-O 3.47Å; M121-E175 HydrophobicContact CE-CB 3.79Å; M121-E175 WeakPolarHBondContact CE-OE2 3.47Å; M121-E175 HydrophobicContact SD-CB 3.59Å; M121-E175 VanDerWaalsContact SD-CB 3.59Å; I172-E175 WeakPolarHBondContact O-CB 3.2Å; I172-E175 PolarHBondContact O-N 2.86Å; S173-E175 VanDerWaalsContact C-N 3.27Å; S173-E175 PolarHBondContact O-N 3.36Å
176Y89.6Confident72.9Confident2 Ų252.5 Ų52.51%0.00829%0.286CS..Hα-helixtrans-95.5-11.8174.475.6-99.5000114.2L14 E51 Y119 C123 P124 V130 Y163 I172 G178L14-Y176 HydrophobicContact CD2-CE2 4.38Å; E51-Y176 PolarHBondContact OE1-OH 3.43Å; E51-Y176 VanDerWaalsContact OE1-OH 3.11Å; Y119-Y176 WeakPolarHBondContact CB-O 3.45Å; C123-Y176 HydrophobicContact CB-CD2 4.28Å; P124-Y176 HydrophobicContact CG-CD1 4.08Å; P124-Y176 HydrophobicContact CG-CE1 3.79Å; V130-Y176 VanDerWaalsContact CB-O 3.31Å; V130-Y176 WeakPolarHBondContact CB-O 3.34Å; V130-Y176 HydrophobicContact CG2-CD2 4.43Å; V130-Y176 WeakPolarHBondContact CG2-O 3.49Å; Y163-Y176 PolarHBondContact OH-OH 3.11Å; I172-Y176 HydrophobicContact CB-CD1 4.47Å; I172-Y176 HydrophobicContact CD1-CD1 4.33Å; I172-Y176 HydrophobicContact CG1-CD1 4.05Å; I172-Y176 HydrophobicContact CG1-CE1 4.06Å; I172-Y176 WeakPolarHBondContact O-CD1 3.19Å; I172-Y176 PolarHBondContact O-N 3.05Å; Y176-G178 VanDerWaalsContact CE2-N 3.33Å
177G88.2Confident70.7Confident0 Ų048.4 Ų48.40%029%0.287CS..THydrogen-bonded Turntrans94.223.5179.200000115R85 S173R85-G177 VanDerWaalsContact CD-O 3.26Å; R85-G177 WeakPolarHBondContact CD-O 3.49Å; R85-G177 PolarHBondContact NH1-O 2.97Å; S173-G177 CarbonylContact O-C 3.14Å; S173-G177 WeakPolarHBondContact O-CA 3.41Å; S173-G177 PolarHBondContact O-N 2.64Å
178G88.5Confident68.4Low0 Ų055.7 Ų55.70%033%0.325CS..  trans-75.8170173.300000114.4E51 R85 S173 Y176 G180 N183E51-G178 WeakPolarHBondContact OE2-CA 3.46Å; R85-G178 PolarHBondContact NH1-O 3.08Å; S173-G178 PolarHBondContact O-N 3.14Å; Y176-G178 VanDerWaalsContact CE2-N 3.33Å; G178-G180 PolarHBondContact O-N 3.25Å; G178-N183 WeakPolarHBondContact O-CB 2.71Å; G178-N183 PolarHBondContact O-ND2 3.13Å
179W84.9Confident65.9Low30 Ų3062.1 Ų62.111%0.11436%0.358CS..  trans-92.355.8-180-70.796.7000112.9L14 P50 E51 D83 N183L14-W179 PolarHBondContact O-NE1 3.46Å; L14-W179 VanDerWaalsContact O-NE1 3.09Å; P50-W179 WeakPolarHBondContact CB-O 3.34Å; P50-W179 VanDerWaalsContact CG-O 3.29Å; P50-W179 WeakPolarHBondContact CG-O 3.35Å; E51-W179 HydrophobicContact CB-CB 4.09Å; E51-W179 PolarHBondContact OE2-N 2.65Å; D83-W179 HydrophobicContact CB-CH2 3.94Å; D83-W179 HydrophobicContact CB-CZ2 4.29Å; D83-W179 WeakPolarHBondContact OD2-CH2 3.23Å; W179-N183 WeakPolarHBondContact CZ3-O 3.1Å
180G71.4Confident63.8Low1 Ų169.3 Ų69.31%0.0140%0.396CS..  trans-81.1-178.3172.700000115.5E170 S173 G178 G182 N183E170-G180 WeakPolarHBondContact OE1-CA 3.49Å; S173-G180 WeakPolarHBondContact OG-CA 3.46Å; S173-G180 PolarHBondContact OG-N 2.79Å; G178-G180 PolarHBondContact O-N 3.25Å; G180-G182 PolarHBondContact O-N 2.85Å; G180-N183 PolarHBondContact O-N 2.95Å
181V61.5Low62Low117 Ų11770.8 Ų70.871%0.70941%0.41SS*.THydrogen-bonded Turntrans-55.1-23.1-175.6-1420000112.4E170E170-V181 HydrophobicContact CG-CG2 3.61Å; E170-V181 WeakPolarHBondContact OE1-CG2 3.32Å; E170-V181 PolarHBondContact OE1-N 3.16Å
182G54.2Low60Low64 Ų6475.8 Ų75.866%0.6642%0.424SS*.THydrogen-bonded Turntrans-100-6.4179.900000116.4G180G180-G182 PolarHBondContact O-N 2.85Å
183N54.5Low57.7Low24 Ų2478.5 Ų78.513%0.12845%0.446CS..  trans-118.821.2-170.8-154.422000113.4R85 G178 W179 G180 G185R85-N183 VanDerWaalsContact CZ-ND2 3.25Å; R85-N183 PolarHBondContact NH1-ND2 3.49Å; R85-N183 PolarHBondContact NH2-ND2 3.25Å; R85-N183 VanDerWaalsContact NH2-ND2 3.17Å; R85-N183 PolarHBondContact NH2-O 3.02Å; G178-N183 WeakPolarHBondContact O-CB 2.71Å; G178-N183 PolarHBondContact O-ND2 3.13Å; W179-N183 WeakPolarHBondContact CZ3-O 3.1Å; G180-N183 PolarHBondContact O-N 2.95Å; N183-G185 VanDerWaalsContact C-N 3.33Å; N183-G185 PolarHBondContact O-N 3.16Å
184Q50.1Low55.4Low145 Ų14589.7 Ų89.768%0.67849%0.488SS*.SBendtrans-75.484.5173.7-70.7-17545.400110.3
185G47Very low53.2Low33 Ų3393.3 Ų93.334%0.3450%0.504SS..SBendtrans67.9173168.600000114.9N183 G187N183-G185 VanDerWaalsContact C-N 3.33Å; N183-G185 PolarHBondContact O-N 3.16Å; G185-G187 PolarHBondContact O-N 2.82Å
186P38.9Very low50.7Low65 Ų6595.8 Ų95.842%0.42252%0.521SS..SBendtrans-76.354.1174.832.4-31.6000110.7D80D80-P186 HydrophobicContact CB-CG 4.31Å
187G35.8Very low48.1Very low52 Ų52100.9 Ų100.954%0.53655%0.551SS.*  trans-99.193.6172.300000110.4G185G185-G187 PolarHBondContact O-N 2.82Å
188L31.5Very low45.5Very low173 Ų173104.9 Ų104.991%0.90659%0.585SS**  trans45.580.5149.5-56.9172.2000116.7
189N28.8Very low42.8Very low146 Ų146112 Ų11278%0.78162%0.623SS**  trans-11095.4149.3-122.4-21.6000108.9V191N189-V191 PolarHBondContact O-N 3.48Å
190L33.9Very low40.3Very low178 Ų178115.8 Ų115.893%0.93265%0.649SS**  trans-64.976.6164.5-177.669.7000108.4
191V38.2Very low38.3Very low108 Ų108120.5 Ų120.566%0.65568%0.682SS**  trans-153.890.3149.867.40000108.1N189 S193N189-V191 PolarHBondContact O-N 3.48Å; V191-S193 PolarHBondContact O-N 3.49Å
192R32.1Very low36.8Very low253 Ų253125.7 Ų125.796%0.95569%0.691SS**  trans-5899.7161.8-76.8179172.5-172.5-1.3107.6
193S33Very low36Very low91 Ų91127.9 Ų127.964%0.63669%0.693SS**  trans-116.394.1160-1600000108.9V191 N195V191-S193 PolarHBondContact O-N 3.49Å; S193-N195 VanDerWaalsContact C-N 3.29Å; S193-N195 PolarHBondContact O-N 3.05Å; S193-N195 VanDerWaalsContact O-N 3.07Å
194R34.3Very low35Very low236 Ų236135.5 Ų135.589%0.89173%0.728SS**  trans-80.671.8-176.8-166.2-174.2-162.7175.73.7108.8
195N34.7Very low34.2Very low139 Ų139135.5 Ų135.574%0.74373%0.732SS**  trans-103.982.1170.5-75.3-2000109.7S193 V197S193-N195 VanDerWaalsContact C-N 3.29Å; S193-N195 PolarHBondContact O-N 3.05Å; S193-N195 VanDerWaalsContact O-N 3.07Å; N195-V197 PolarHBondContact O-N 3.01Å
196N33.4Very low33.4Very low155 Ų155141.9 Ų141.983%0.82976%0.759SS**  trans-76.393.8161.6-165.824.1000107.2
197V34.5Very low33.1Very low108 Ų108145.8 Ų145.866%0.65577%0.774SS**  trans-119.3100.1165.31630000107.3N195N195-V197 PolarHBondContact O-N 3.01Å
198A34.4Very low32.9Very low85 Ų85151.1 Ų151.170%0.70279%0.79SS**  trans-62.4138.6157.500000108.8
199N31.8Very low33.1Very low149 Ų149149.1 Ų149.180%0.79779%0.785SS**  trans62.388.1157.4-165.221.8000116.6
200T31.5Very low33.2Very low110 Ų110149 Ų14968%0.67579%0.789SS**  trans-134.9101.9150.539.30000110.5
201S30.7Very low33.3Very low99 Ų99144.2 Ų144.269%0.69278%0.783SS**  trans-39.3137.5153.4-165.20000111P203S201-P203 WeakPolarHBondContact O-CD 3.48Å
202Y30Very low33Very low227 Ų227146.4 Ų146.489%0.8979%0.789SS**  trans-33.6102.7-177.9-60.7-85.1000113.6H204Y202-H204 PolarHBondContact O-N 3.16Å
203P36.3Very low33Very low109 Ų109144.2 Ų144.271%0.70879%0.787SS**  trans-83.4119.8174.9-1.419.8000108.7S201S201-P203 WeakPolarHBondContact O-CD 3.48Å
204H34.2Very low32.8Very low185 Ų185143.5 Ų143.586%0.85679%0.794SS**  trans-47.4142.2162.5-12565.2000111Y202 N206Y202-H204 PolarHBondContact O-N 3.16Å; H204-N206 PolarHBondContact O-N 2.79Å
205N32.4Very low32.5Very low144 Ų144136.4 Ų136.477%0.7780%0.795SS**  trans-27.7123.4173.2-75.9-27.5000114.4
206N31.8Very low32.2Very low168 Ų168133.5 Ų133.590%0.89880%0.797SS**  trans-147.9110.4143.9-108.117.6000109.5H204H204-N206 PolarHBondContact O-N 2.79Å
207I32.4Very low32Very low147 Ų147130.5 Ų130.575%0.75479%0.794SS**  trans-88.3150.4169.1-85.3164.3000107.9
208L31.9Very low31.7Very low164 Ų164131.1 Ų131.186%0.85980%0.803SS**  trans97.1124.1177.5-56.3145.4000112.2
209T34.8Very low31.5Very low130 Ų130130.6 Ų130.680%0.79881%0.806SS**  cis-165.9132.822.9162.10000107.9
210T31.6Very low31.5Very low144 Ų144127.7 Ų127.788%0.88380%0.802SS**  trans-107.9124.5179.6-43.40000108.4
211G35.7Very low31.3Very low77 Ų77128.9 Ų128.979%0.79481%0.81SS**  trans-160.283175.400000111
212I31.6Very low31.2Very low154 Ų154127.6 Ų127.679%0.7981%0.812SS**  trans-97.9116.7161.7-72.3172.4000105.9
213F31.9Very low31.3Very low208 Ų208129 Ų12991%0.91282%0.815SS**  trans-169.5128.1143.1-103.7-74000108.3
214G28.4Very low30.9Very low76 Ų76132.2 Ų132.278%0.78483%0.827SS**  trans-87.9172-177.100000114.3
215G29.1Very low30.6Very low87 Ų87127 Ų12790%0.89782%0.823SS**  trans92.5115.5147.100000117
216G28.3Very low30.4Very low77 Ų77123.4 Ų123.479%0.79482%0.82SS**  trans115.294.6138.800000117.7
217A29.2Very low30.5Very low92 Ų92124.6 Ų124.676%0.7682%0.82SS**  trans64.2124.8134.800000121.6
218S28.5Very low30.5Very low122 Ų122124.1 Ų124.185%0.85383%0.825SS**  trans74.1122.1139.565.60000119.7
219G28.8Very low30.8Very low73 Ų73122.8 Ų122.875%0.75382%0.823SS**  10788.7127.600000116.4
220A31.7Very low31.1Very low88 Ų88121.4 Ų121.473%0.72782%0.819SS**  trans59.2119.1130.200000120.3
221T28.1Very low31.3Very low136 Ų136121.5 Ų121.583%0.83482%0.819SS**  trans67.595.6133.456.10000118.4
222G28.5Very low31.1Very low71 Ų71123.1 Ų123.173%0.73282%0.818SS**  72.8115.5115.100000117.8
223R32.6Very low31.2Very low256 Ų256124 Ų12497%0.96682%0.819SS**  -171131.7123.9-102.6161.5178.7-161.9-1111.6
224N26.5Very low31.4Very low178 Ų178119.1 Ų119.195%0.95282%0.817SS**  trans-66.6148.9170.2-118.6-13.2000111.2
225G30Very low31.4Very low75 Ų75122.7 Ų122.777%0.77382%0.818SS**  trans138.6102.4171.200000109.3
226G27.9Very low31.7Very low69 Ų69123.5 Ų123.571%0.71182%0.816SS**  cis93.187.44100000108.2
227Q34Very low31.7Very low192 Ų192123.9 Ų123.990%0.89782%0.82SS**  trans-178.292.4152.7-101.5164.777.700109.6
228T32Very low31.8Very low138 Ų138123 Ų12385%0.84782%0.819SS**  trans-87.8109.9165.354.10000107.7S230T228-S230 PolarHBondContact O-N 3.5Å
229T37.9Very low32Very low136 Ų136125.4 Ų125.483%0.83482%0.821SS**  trans-80.598.8170.331.40000109V231T229-V231 PolarHBondContact O-N 3.25Å
230S41.1Very low32.5Very low101 Ų101128 Ų12871%0.70683%0.825SS**  trans-68.8117.816851.60000109.6T228 S232T228-S230 PolarHBondContact O-N 3.5Å; S230-S232 PolarHBondContact O-N 3.45Å; S230-S232 VanDerWaalsContact O-N 3.13Å
231V36.2Very low32.8Very low146 Ų146131.4 Ų131.489%0.88583%0.826SS**  trans-71.499.8165.7-79.10000108.6T229 Q233T229-V231 PolarHBondContact O-N 3.25Å; V231-Q233 PolarHBondContact O-N 3.08Å
232S31Very low32.9Very low111 Ų111129 Ų12978%0.77682%0.819SS**  trans-67.1121.1177-69.60000111.3S230 A234S230-S232 PolarHBondContact O-N 3.45Å; S230-S232 VanDerWaalsContact O-N 3.13Å; S232-A234 PolarHBondContact O-N 3.47Å
233Q33.2Very low33Very low171 Ų171130 Ų13080%0.79982%0.815SS**  trans-68.3111168.9-134.2167.1-65.800109.2V231 L235V231-Q233 PolarHBondContact O-N 3.08Å; Q233-L235 PolarHBondContact O-N 1.97Å
234A36.4Very low33Very low106 Ų106122.6 Ų122.688%0.87681%0.809SS**  trans-89.494.6168.600000109.3S232S232-A234 PolarHBondContact O-N 3.47Å
235L29Very low33.4Very low152 Ų152119 Ų11980%0.79680%0.804SS**  trans-93.7102.2161.5-89.2149.6000107.8Q233Q233-L235 PolarHBondContact O-N 1.97Å
236A35.7Very low33.4Very low104 Ų104119.6 Ų119.686%0.8680%0.801SS**  trans-151.2116.5159.600000104.5
237G28.6Very low33.9Very low85 Ų85124.7 Ų124.788%0.87681%0.809SS**  cis129.893.736.800000104.1
238G30.5Very low33.9Very low72 Ų72123.4 Ų123.474%0.74281%0.807SS**  trans-163.158.9-173.200000111P240G238-P240 WeakPolarHBondContact O-CD 3.5Å
239L32.8Very low34Very low173 Ų173121.3 Ų121.391%0.90680%0.804SS**  trans-91.8112169.5-80.2140.8000108.2H241L239-H241 PolarHBondContact O-N 3.34Å
240P38.3Very low34.1Very low128 Ų128119.1 Ų119.183%0.83180%0.8SS**  trans-75.6117.8162.328-27.7000109G238 A242G238-P240 WeakPolarHBondContact O-CD 3.5Å; P240-A242 PolarHBondContact O-N 2.88Å
241H38.1Very low33.7Very low160 Ų160120.9 Ų120.974%0.74181%0.806SS**  trans-43.9118.5167.6157.875.6000112L239L239-H241 PolarHBondContact O-N 3.34Å
242A31.1Very low33.5Very low85 Ų85118 Ų11870%0.70281%0.806SS**  trans-74.2125.1153.100000108.4P240P240-A242 PolarHBondContact O-N 2.88Å
243S30.4Very low33.5Very low92 Ų92116.2 Ų116.264%0.64381%0.805SS**  trans176.9122.6131-76.10000111.9
244A32.9Very low33.6Very low101 Ų101117 Ų11784%0.83581%0.809SS**  trans4797.9137.300000119.2
245A34.3Very low33.3Very low103 Ų103118.1 Ų118.185%0.85181%0.805SS**  trans-129.184.2140.600000108
246A31.2Very low33.5Very low86 Ų86118.1 Ų118.171%0.71181%0.811SS**  trans-62.4162.5149.900000108.5
247M36.8Very low33.4Very low177 Ų177117.1 Ų117.187%0.87281%0.811SS**  trans105.989.6169.5-52.9-68.8-102.700115.3
248L34.9Very low33.7Very low165 Ų165116.7 Ų116.786%0.86481%0.807SS**  173.297.1124.3-120.269.3000106.7
249A33Very low34.5Very low94 Ų94119.2 Ų119.278%0.77781%0.81SS**  70.8132.180.300000114.1
250A40.4Very low34.8Very low90 Ų90118.3 Ų118.374%0.74481%0.807SS**  trans79.2134.8163.300000116.6
251T33.9Very low34.9Very low138 Ų138118.3 Ų118.385%0.84781%0.807SS**  cis-178.2146.3-3.320.70000106
252G30.3Very low34.6Very low86 Ų86113.7 Ų113.789%0.88780%0.802SS**  trans96.2134.116000000115.2
253G32Very low35.1Very low73 Ų73116.8 Ų116.875%0.75381%0.812SS**  cis-179.3160.71.800000111.1
254Q35.3Very low35.3Very low186 Ų186117.6 Ų117.687%0.86983%0.825SS**  trans51.5105.6155.5-65.1177.3-3.400117.9
255T30.4Very low35.5Very low130 Ų130116 Ų11680%0.79882%0.817SS**  56.297.960.479.50000116.3
256T33.2Very low35.4Very low152 Ų152118.9 Ų118.993%0.93382%0.819SS**  trans-153.3133.1144.249.40000109.4
257G32.2Very low35.3Very low83 Ų83119.9 Ų119.986%0.85683%0.827SS**  trans134.183.6159.800000118.7
258G36.9Very low35Very low77 Ų77116.2 Ų116.279%0.79483%0.825SS**  86.4153.5127.300000120.9
259P46.7Very low34.9Very low124 Ų124113.5 Ų113.581%0.80583%0.826SS**  trans-116.4150.5-143.936.5-21.9000116.6
260N37.9Very low34.8Very low155 Ų155113.3 Ų113.383%0.82983%0.825SS**  trans36.4137.6146.5-84.61.7000121.2
261P42.2Very low34.3Very low128 Ų128115.5 Ų115.583%0.83183%0.829SS**  -145.9141.770.135.3-15.6000117.7
262G31.2Very low34.3Very low62 Ų62113.5 Ų113.564%0.63983%0.827SS**  trans49.8116131.900000121.1
263T41.2Very low34.4Very low150 Ų150114.5 Ų114.592%0.9283%0.826SS**  -171.1129.3105.525.80000109
264A34.8Very low34.5Very low110 Ų110115.2 Ų115.291%0.90983%0.825SS**  trans-78.4144.9174.600000110
265G36.4Very low34.5Very low66 Ų66114.9 Ų114.968%0.6883%0.826SS**  trans169.786.6173.200000112.4
266D32.6Very low34.7Very low164 Ų164115.7 Ų115.788%0.87783%0.83SS**  trans6979.5147.6-48.7-24000119
267A28.4Very low35Very low107 Ų107113.2 Ų113.288%0.88483%0.825SS**  trans-77.8121.7146.400000109.4
268A30.6Very low35.2Very low101 Ų101114.6 Ų114.684%0.83583%0.829SS**  trans161.993.2138.500000111.3
269A33.4Very low34.8Very low107 Ų107113.7 Ų113.788%0.88482%0.819SS**  trans-172.155.6140.700000108.6
270A30.3Very low34.2Very low90 Ų90116.1 Ų116.174%0.74482%0.824SS**  trans-76.8135.8161.100000108.2
271T30.8Very low34Very low137 Ų137117.2 Ų117.284%0.8483%0.827SS**  trans98.2127.8149.4-27.10000117.3
272A33Very low33.5Very low96 Ų96123 Ų12379%0.79383%0.832SS**  trans88.471.2155.600000118.7
273A33.4Very low33.4Very low106 Ų106123.1 Ų123.188%0.87683%0.832SS**  trans-141.142.9137.700000110.4
274A33.6Very low33Very low88 Ų88122.6 Ų122.673%0.72782%0.823SS**  trans-84.4124.4155.100000106.1
275M34.7Very low33.5Very low180 Ų180123.5 Ų123.589%0.88782%0.82SS**SBendtrans117.3132.3171.3-58.8-105.2-173.800113.3
276V35.3Very low33.5Very low146 Ų146127.2 Ų127.289%0.88582%0.824SS**  trans88.261.3169.1-153.10000116.8
277A38.9Very low34Very low100 Ų100131.1 Ų131.183%0.82683%0.827SS**  trans-142.946.6140.800000110.5G279A277-G279 PolarHBondContact O-N 3.22Å
278A36.8Very low34.4Very low113 Ų113134.1 Ų134.193%0.93482%0.824SS**  trans-74.884.3160.400000107.4
279G28.3Very low34.7Very low57 Ų57133.5 Ų133.559%0.58882%0.82SS**  trans-165.192.9-176.900000112.7A277A277-G279 PolarHBondContact O-N 3.22Å
280L34.2Very low35.1Very low175 Ų175137.5 Ų137.592%0.91682%0.822SS**  trans58.879.5145.2-62.1148.4000117.3
281M33.9Very low35.8Very low179 Ų179138.5 Ų138.588%0.88282%0.824SS**  trans-132.982.8154.4-105.3-83.1-167.700109.3
282R31.6Very low36.6Very low250 Ų250139.6 Ų139.694%0.94382%0.823SS**  trans-89106.1174.7-155.3-179.9101110.22107.2
283G30.3Very low37.7Very low63 Ų63142.7 Ų142.765%0.64983%0.825SS**  trans107.790.4161.500000115.9
284L32.5Very low39.2Very low139 Ų139141.9 Ų141.973%0.72881%0.81SS**  trans-149.3124.8136.4-84.4117.8000107.1N286L284-N286 PolarHBondContact O-N 2.8Å
285P44.5Very low41.2Very low129 Ų129142.5 Ų142.584%0.83881%0.806SS**  trans-80.769.8177.834.4-31.7000108.9R287P285-R287 PolarHBondContact O-N 3.03Å
286N36.8Very low43.5Very low144 Ų144138.6 Ų138.677%0.7779%0.793SS**  trans-81.578.8173.2-11646.6000109.3L284 M288L284-N286 PolarHBondContact O-N 2.8Å; N286-M288 PolarHBondContact O-N 3.18Å; N286-M288 VanDerWaalsContact O-N 3.13Å
287R43Very low46Very low246 Ų246134.6 Ų134.693%0.92877%0.769SS**  trans-82.338.1177.1-139.3-176.4-174-166.90.7112.3P285P285-R287 PolarHBondContact O-N 3.03Å
288M36.7Very low48.4Very low170 Ų170133.6 Ų133.684%0.83776%0.755SS**  trans-15685.3-178.5-158.8146.3-128.200111.3N286N286-M288 PolarHBondContact O-N 3.18Å; N286-M288 VanDerWaalsContact O-N 3.13Å
289A36.8Very low51Low89 Ų89130.6 Ų130.674%0.73673%0.725SS**  trans17552.9152.400000111.5
290M42.5Very low54Low190 Ų190134 Ų13494%0.93673%0.726SS**  trans-136.968.5168-68.3-63.8-96.900109.2
291S43.8Very low56.6Low111 Ų111127.8 Ų127.878%0.77670%0.695SS**  trans-13216.2171-169.80000113.3
292I47.8Very low59.1Low161 Ų161122.8 Ų122.883%0.82668%0.678SS**SBendtrans-111.1-11.5-178.5-71.2175.3000114
293L56.5Low61.6Low160 Ų160111.7 Ų111.784%0.83864%0.638SS**  trans-147.970.3176.3-68.6168.4000111.1P295L293-P295 VanDerWaalsContact O-CD 3.29Å; L293-P295 WeakPolarHBondContact O-CD 3.44Å
294T64.2Low64.2Low90 Ų90111.1 Ų111.155%0.55262%0.624SS**  trans-72.6114.8160.746.40000107.4T296 T349T294-T296 PolarHBondContact O-N 2.6Å; T294-T349 WeakPolarHBondContact OG1-CG2 3.43Å
295P76.8Confident66.5Low100 Ų100106.6 Ų106.665%0.64960%0.601SS**  trans-60.313117924.7-32.8000109.4L293L293-P295 VanDerWaalsContact O-CD 3.29Å; L293-P295 WeakPolarHBondContact O-CD 3.44Å
296T82.4Confident68.1Low99 Ų99108.2 Ų108.261%0.60759%0.594SS**  trans-73.8125.7170.1530000108.5T294 G348T294-T296 PolarHBondContact O-N 2.6Å; T296-G348 CarbonylContact C-O 3.56Å; T296-G348 VanDerWaalsContact CA-O 3.24Å; T296-G348 WeakPolarHBondContact CA-O 3.41Å
297T87.5Confident70.2Confident62 Ų62104.5 Ų104.538%0.3857%0.573SS.*EExtended strand (participates in β ladder)trans-105.2164173.873.30000109.1T347 G348 I353T297-T347 WeakPolarHBondContact O-CA 3.39Å; T297-G348 PolarHBondContact N-O 3.33Å; T297-G348 PolarHBondContact O-N 3.13Å; T297-I353 WeakPolarHBondContact O-CD1 3.37Å; T297-I353 WeakPolarHBondContact OG1-CD1 3.24Å
298S89.6Confident72.1Confident78 Ų7893 Ų9355%0.54553%0.53SS..EExtended strand (participates in β ladder)trans-123.5130.6175.9630000110.3I346S298-I346 CarbonylContact C-O 3.52Å; S298-I346 VanDerWaalsContact CA-O 3.24Å; S298-I346 WeakPolarHBondContact CA-O 3.16Å
299T91.8Very high74.1Confident50 Ų5086.6 Ų86.631%0.30751%0.508SS..EExtended strand (participates in β ladder)trans-120.2142.6175.5-56.20000110I346 Q357T299-I346 PolarHBondContact N-O 2.88Å; T299-I346 PolarHBondContact O-N 2.91Å; T299-Q357 VanDerWaalsContact CG2-NE2 3.33Å
300Q89.8Confident76.1Confident128 Ų12882.6 Ų82.660%0.59848%0.475SS*.EExtended strand (participates in β ladder)trans-109.9138.5177.7-64.3-177.218.600110.3I343 I344 T345Q300-I343 HydrophobicContact CB-CG2 3.84Å; Q300-I343 HydrophobicContact CG-CG2 4.16Å; Q300-I344 CarbonylContact C-O 3.55Å; Q300-I344 WeakPolarHBondContact CA-O 3.31Å; Q300-T345 HydrophobicContact CG-CG2 4.23Å
301V89.6Confident78Confident45 Ų4573.6 Ų73.627%0.27343%0.431SS..EExtended strand (participates in β ladder)trans-127125.6179-174.90000108.5V303 I344 I346 Q357V301-V303 HydrophobicContact CG1-CG2 4.05Å; V301-I344 PolarHBondContact N-O 2.89Å; V301-I344 PolarHBondContact O-N 2.96Å; V301-I346 HydrophobicContact CG2-CD1 4.09Å; V301-Q357 HydrophobicContact CG2-CG 4.39Å
302S85.5Confident79.7Confident74 Ų7470.5 Ų70.552%0.51740%0.404SS..EExtended strand (participates in β ladder)trans-81.9127.4172.5-164.90000109.8D341S302-D341 VanDerWaalsContact OG-CB 3.28Å; S302-D341 WeakPolarHBondContact OG-CB 3.3Å; S302-D341 PolarHBondContact OG-OD2 2.67Å; S302-D341 VanDerWaalsContact OG-OD2 3.11Å
303V86Confident80.9Confident17 Ų1763.7 Ų63.710%0.10337%0.374CS..EExtended strand (participates in β ladder)trans-134.7128.5178-178.30000109.7V301 M307 I311 R342 I344V301-V303 HydrophobicContact CG1-CG2 4.05Å; V303-M307 HydrophobicContact CG1-CB 3.57Å; V303-I311 HydrophobicContact CB-CD1 4.36Å; V303-I311 HydrophobicContact CG1-CD1 3.69Å; V303-I311 HydrophobicContact CG2-CD1 4Å; V303-R342 PolarHBondContact N-O 3.24Å; V303-R342 PolarHBondContact O-N 2.98Å; V303-I344 HydrophobicContact CB-CD1 4.32Å; V303-I344 HydrophobicContact CG2-CD1 3.75Å; V303-I344 HydrophobicContact CG2-CG1 4.3Å
304S84.4Confident81.5Confident52 Ų5264.2 Ų64.236%0.36437%0.365SS..EExtended strand (participates in β ladder)trans-59.6147.5178.2-50.90000113.5K306 M307 I308 D341S304-K306 PolarHBondContact O-N 3.4Å; S304-K306 VanDerWaalsContact O-N 3.09Å; S304-M307 CarbonylContact O-C 3.58Å; S304-M307 WeakPolarHBondContact O-CA 3.47Å; S304-M307 PolarHBondContact O-N 3.3Å; S304-I308 PolarHBondContact O-N 3.25Å; S304-D341 WeakPolarHBondContact CA-OD1 3.32Å; S304-D341 VanDerWaalsContact CB-OD1 3.3Å; S304-D341 WeakPolarHBondContact CB-OD1 3.32Å; S304-D341 PolarHBondContact N-OD1 2.79Å; S304-D341 PolarHBondContact OG-OD1 3.09Å
305N81.3Confident81.6Confident44 Ų4464.4 Ų64.424%0.23537%0.37CS..Hα-helixtrans-58.8-23.5-179.1-83.3-44.1000114.1I308 Q335 V339 E340 R342N305-I308 VanDerWaalsContact O-CG2 3.3Å; N305-I308 WeakPolarHBondContact O-CG2 2.96Å; N305-Q335 PolarHBondContact ND2-NE2 3.15Å; N305-V339 PolarHBondContact ND2-O 3.26Å; N305-E340 VanDerWaalsContact CB-O 3.23Å; N305-E340 WeakPolarHBondContact CB-O 3.36Å; N305-E340 PolarHBondContact N-O 2.97Å; N305-E340 VanDerWaalsContact ND2-C 3.3Å; N305-E340 PolarHBondContact ND2-O 3.44Å; N305-R342 WeakPolarHBondContact OD1-CD 3.42Å; N305-R342 WeakPolarHBondContact OD1-CG 3.39Å
306K78Confident81.4Confident162 Ų16260.5 Ų60.570%0.70435%0.348SS*.Hα-helixtrans-71.6-41.9171.9-63.2-179.8-177.5174.60111S304 I371S304-K306 PolarHBondContact O-N 3.4Å; S304-K306 VanDerWaalsContact O-N 3.09Å; K306-I371 WeakPolarHBondContact O-CD1 2.84Å
307M81Confident81.1Confident66 Ų6656.5 Ų56.533%0.32532%0.324SS..Hα-helixtrans-79-29.1-178.9-62-57.2-175.500113.1V303 S304 G309 A310 I311 V364V303-M307 HydrophobicContact CG1-CB 3.57Å; S304-M307 CarbonylContact O-C 3.58Å; S304-M307 WeakPolarHBondContact O-CA 3.47Å; S304-M307 PolarHBondContact O-N 3.3Å; M307-G309 PolarHBondContact O-N 3.12Å; M307-A310 WeakPolarHBondContact O-CA 3.45Å; M307-A310 WeakPolarHBondContact O-CB 3.37Å; M307-A310 PolarHBondContact O-N 2.62Å; M307-A310 VanDerWaalsContact O-N 3.1Å; M307-I311 WeakPolarHBondContact O-CG1 3.43Å; M307-I311 PolarHBondContact O-N 2.97Å; M307-V364 HydrophobicContact CB-CG1 4.27Å; M307-V364 HydrophobicContact CB-CG2 4.4Å; M307-V364 HydrophobicContact CE-CG1 4.5Å; M307-V364 HydrophobicContact CG-CG1 4.08Å; M307-V364 HydrophobicContact SD-CG1 3.8Å
308I82.9Confident80.6Confident4 Ų455.7 Ų55.72%0.02131%0.314CS..Hα-helixtrans-62.6-33.9178.1-161.170.4000111.5S304 N305 A310 I311 M312 I332 I344S304-I308 PolarHBondContact O-N 3.25Å; N305-I308 VanDerWaalsContact O-CG2 3.3Å; N305-I308 WeakPolarHBondContact O-CG2 2.96Å; I308-A310 VanDerWaalsContact C-N 3.34Å; I308-I311 PolarHBondContact O-N 3.35Å; I308-M312 HydrophobicContact CB-CE 4.15Å; I308-M312 HydrophobicContact CG1-CE 3.55Å; I308-M312 HydrophobicContact CG1-CG 4.23Å; I308-M312 HydrophobicContact CG1-SD 4.23Å; I308-M312 HydrophobicContact CG2-CE 3.71Å; I308-M312 WeakPolarHBondContact O-CB 3.21Å; I308-M312 WeakPolarHBondContact O-CG 3.37Å; I308-M312 PolarHBondContact O-N 3.19Å; I308-I332 HydrophobicContact CD1-CG2 4.12Å; I308-I332 HydrophobicContact CG1-CG2 4.37Å; I308-I344 HydrophobicContact CD1-CD1 3.52Å; I308-I344 HydrophobicContact CD1-CG1 3.74Å
309G78.3Confident80.5Confident36 Ų3652.2 Ų52.237%0.37129%0.289SS..Hα-helixtrans-62.4-42.817400000111.7M307 G313M307-G309 PolarHBondContact O-N 3.12Å; G309-G313 PolarHBondContact O-N 3.01Å
310A77.9Confident80Confident6 Ų653.6 Ų53.65%0.0530%0.295CS..Hα-helixtrans-64.6-36.2173.300000112.4M307 I308 R318 I371M307-A310 WeakPolarHBondContact O-CA 3.45Å; M307-A310 WeakPolarHBondContact O-CB 3.37Å; M307-A310 PolarHBondContact O-N 2.62Å; M307-A310 VanDerWaalsContact O-N 3.1Å; I308-A310 VanDerWaalsContact C-N 3.34Å; A310-R318 WeakPolarHBondContact O-CD 3.23Å; A310-R318 PolarHBondContact O-NH1 3.28Å; A310-I371 HydrophobicContact CB-CD1 4.29Å
311I82.7Confident79.6Confident0 Ų051.9 Ų51.90%029%0.287CS..Hα-helixtrans-72.7-47.5176.2-66.2178.7000112.1V303 M307 I308 G313 R318 I319 I344 L360 C363 V364V303-I311 HydrophobicContact CB-CD1 4.36Å; V303-I311 HydrophobicContact CG1-CD1 3.69Å; V303-I311 HydrophobicContact CG2-CD1 4Å; M307-I311 WeakPolarHBondContact O-CG1 3.43Å; M307-I311 PolarHBondContact O-N 2.97Å; I308-I311 PolarHBondContact O-N 3.35Å; I311-G313 VanDerWaalsContact C-N 3.29Å; I311-G313 PolarHBondContact O-N 2.9Å; I311-R318 WeakPolarHBondContact O-CB 3.22Å; I311-R318 WeakPolarHBondContact O-CG 3.29Å; I311-I319 HydrophobicContact CG2-CD1 4.22Å; I311-I319 PolarHBondContact O-N 3.46Å; I311-I344 HydrophobicContact CD1-CD1 3.88Å; I311-I344 HydrophobicContact CG2-CD1 4.41Å; I311-L360 HydrophobicContact CD1-CD2 4.34Å; I311-L360 HydrophobicContact CG2-CD2 3.34Å; I311-C363 HydrophobicContact CG1-CB 4.4Å; I311-V364 HydrophobicContact CD1-CG2 3.41Å; I311-V364 VanDerWaalsContact CD1-CG2 3.41Å; I311-V364 HydrophobicContact CG1-CG2 3.45Å; I311-V364 VanDerWaalsContact CG1-CG2 3.45Å
312M80.2Confident79.4Confident46 Ų4649.9 Ų49.923%0.22728%0.275CS..Hα-helixtrans-64.8-37.4-178.4-72.1-171.8-7600111I308 G316 C317 R318 I319 I332I308-M312 HydrophobicContact CB-CE 4.15Å; I308-M312 HydrophobicContact CG1-CE 3.55Å; I308-M312 HydrophobicContact CG1-CG 4.23Å; I308-M312 HydrophobicContact CG1-SD 4.23Å; I308-M312 HydrophobicContact CG2-CE 3.71Å; I308-M312 WeakPolarHBondContact O-CB 3.21Å; I308-M312 WeakPolarHBondContact O-CG 3.37Å; I308-M312 PolarHBondContact O-N 3.19Å; M312-G316 CarbonylContact O-C 3.56Å; M312-G316 WeakPolarHBondContact O-CA 3.46Å; M312-C317 PolarHBondContact O-N 2.84Å; M312-R318 PolarHBondContact O-N 3.31Å; M312-R318 VanDerWaalsContact O-N 3.09Å; M312-I319 HydrophobicContact CB-CG2 4.33Å; M312-I319 HydrophobicContact CG-CG2 4.29Å; M312-I319 PolarHBondContact O-N 3.07Å; M312-I332 HydrophobicContact CG-CD1 3.52Å; M312-I332 HydrophobicContact SD-CD1 3.62Å
313G71.5Confident79.5Confident19 Ų1950.5 Ų50.520%0.19627%0.266CS..  trans69.4173.1-17300000112.4G309 I311 S315 G316G309-G313 PolarHBondContact O-N 3.01Å; I311-G313 VanDerWaalsContact C-N 3.29Å; I311-G313 PolarHBondContact O-N 2.9Å; G313-S315 PolarHBondContact O-N 3.45Å; G313-G316 PolarHBondContact O-N 2.94Å
314R70.8Confident79.3Confident170 Ų17056.8 Ų56.864%0.64229%0.294SS*.G310 helixtrans-59.1130.8173-72.6-169.2-77.2-1182.1108.9R166 A168 G316 C317R166-R314 PolarHBondContact O-NE 3.49Å; R166-R314 PolarHBondContact O-NH2 3.24Å; A168-R314 PolarHBondContact O-NH2 3.44Å; R314-G316 PolarHBondContact O-N 3.11Å; R314-C317 PolarHBondContact O-N 3.26Å
315S66.4Low79.4Confident95 Ų9558.4 Ų58.466%0.66430%0.295SS*.G310 helixtrans62.611.9-177.3720000117.2G313 C317G313-S315 PolarHBondContact O-N 3.45Å; S315-C317 PolarHBondContact O-N 3.36Å
316G72.6Confident79.7Confident18 Ų1856.4 Ų56.419%0.18629%0.285CS..G310 helixtrans74.312-175.300000113.4M312 G313 R314 R318 I319 N320M312-G316 CarbonylContact O-C 3.56Å; M312-G316 WeakPolarHBondContact O-CA 3.46Å; G313-G316 PolarHBondContact O-N 2.94Å; R314-G316 PolarHBondContact O-N 3.11Å; G316-R318 PolarHBondContact O-N 2.9Å; G316-I319 WeakPolarHBondContact O-CG2 3.46Å; G316-N320 WeakPolarHBondContact O-CB 3.3Å; G316-N320 PolarHBondContact O-N 3Å; G316-N320 PolarHBondContact O-ND2 2.83Å
317C74.4Confident80.2Confident14 Ų1454 Ų5410%0.09528%0.28CS..Hα-helixtrans-60.5-45.7-178.8162.30000112C125 M312 R314 S315 I319 N320 Q321C125-C317 VanDerWaalsContact CA-SG 3.53Å; C125-C317 HydrophobicContact CB-CB 3.73Å; C125-C317 WeakPolarHBondContact CB-SG 3.47Å; C125-C317 WeakPolarHBondContact SG-CB 3.42Å; C125-C317 CovalentContact SG-SG 1.97Å; C125-C317 PolarHBondContact SG-SG 2.92Å; M312-C317 PolarHBondContact O-N 2.84Å; R314-C317 PolarHBondContact O-N 3.26Å; S315-C317 PolarHBondContact O-N 3.36Å; C317-I319 PolarHBondContact O-N 3.47Å; C317-N320 CarbonylContact O-C 3.49Å; C317-N320 WeakPolarHBondContact O-CA 3.39Å; C317-N320 WeakPolarHBondContact O-CB 3.34Å; C317-N320 PolarHBondContact O-N 3.44Å; C317-N320 VanDerWaalsContact O-N 3.08Å; C317-Q321 PolarHBondContact O-N 3.3Å
318R78.6Confident80.6Confident46 Ų4651.1 Ų51.117%0.17427%0.266CS..Hα-helixtrans-67.7-39.9-173.2-173.5177-64.3150.4-1111A310 I311 M312 G316 N320 Q321 V322 C363 Y367A310-R318 WeakPolarHBondContact O-CD 3.23Å; A310-R318 PolarHBondContact O-NH1 3.28Å; I311-R318 WeakPolarHBondContact O-CB 3.22Å; I311-R318 WeakPolarHBondContact O-CG 3.29Å; M312-R318 PolarHBondContact O-N 3.31Å; M312-R318 VanDerWaalsContact O-N 3.09Å; G316-R318 PolarHBondContact O-N 2.9Å; R318-N320 VanDerWaalsContact C-N 3.31Å; R318-N320 PolarHBondContact O-N 3.21Å; R318-Q321 WeakPolarHBondContact O-CB 3.49Å; R318-Q321 PolarHBondContact O-N 2.79Å; R318-V322 VanDerWaalsContact O-CG2 3.3Å; R318-V322 WeakPolarHBondContact O-CG2 3.45Å; R318-V322 PolarHBondContact O-N 2.85Å; R318-C363 VanDerWaalsContact CD-SG 3.56Å; R318-C363 HydrophobicContact CG-CB 4.47Å; R318-Y367 VanDerWaalsContact NE-CE2 3.28Å; R318-Y367 VanDerWaalsContact NH2-CE2 3.26Å; R318-Y367 PolarHBondContact NH2-OH 3.38Å
319I85.7Confident80.9Confident5 Ų554.5 Ų54.53%0.02629%0.285CS..Hα-helixtrans-64.5-37.4171.5-175.867.9000111.9I311 M312 G316 C317 Q321 V322 R323 I330 I332 L360I311-I319 HydrophobicContact CG2-CD1 4.22Å; I311-I319 PolarHBondContact O-N 3.46Å; M312-I319 HydrophobicContact CB-CG2 4.33Å; M312-I319 HydrophobicContact CG-CG2 4.29Å; M312-I319 PolarHBondContact O-N 3.07Å; G316-I319 WeakPolarHBondContact O-CG2 3.46Å; C317-I319 PolarHBondContact O-N 3.47Å; I319-Q321 VanDerWaalsContact C-N 3.33Å; I319-Q321 PolarHBondContact O-N 2.72Å; I319-V322 PolarHBondContact O-N 3.02Å; I319-R323 WeakPolarHBondContact O-CB 3.07Å; I319-R323 VanDerWaalsContact O-CG 3.24Å; I319-R323 WeakPolarHBondContact O-CG 3.38Å; I319-R323 PolarHBondContact O-N 3.46Å; I319-I330 HydrophobicContact CD1-CB 4.34Å; I319-I330 HydrophobicContact CD1-CD1 4.39Å; I319-I330 HydrophobicContact CD1-CG2 3.78Å; I319-I332 HydrophobicContact CD1-CD1 4.45Å; I319-I332 HydrophobicContact CG1-CD1 4.05Å; I319-L360 HydrophobicContact CD1-CD2 4.1Å
320N83.1Confident81.6Confident79 Ų7952.8 Ų52.842%0.42227%0.267SS..Hα-helixtrans-66.1-36.1175.6-69.7-19.7000112.2G316 C317 R318 R323 H324G316-N320 WeakPolarHBondContact O-CB 3.3Å; G316-N320 PolarHBondContact O-N 3Å; G316-N320 PolarHBondContact O-ND2 2.83Å; C317-N320 CarbonylContact O-C 3.49Å; C317-N320 WeakPolarHBondContact O-CA 3.39Å; C317-N320 WeakPolarHBondContact O-CB 3.34Å; C317-N320 PolarHBondContact O-N 3.44Å; C317-N320 VanDerWaalsContact O-N 3.08Å; R318-N320 VanDerWaalsContact C-N 3.31Å; R318-N320 PolarHBondContact O-N 3.21Å; N320-R323 WeakPolarHBondContact O-CB 3.45Å; N320-R323 PolarHBondContact O-N 3.41Å; N320-R323 PolarHBondContact OD1-NH1 3.45Å; N320-H324 WeakPolarHBondContact O-CB 3.48Å; N320-H324 PolarHBondContact O-N 3.32Å
321Q80.8Confident82.1Confident92 Ų9258.4 Ų58.443%0.4329%0.29SS..Hα-helixtrans-64.3-47.7171.8-179.9176.53.300110.8C317 R318 I319 R323 H324 E325C317-Q321 PolarHBondContact O-N 3.3Å; R318-Q321 WeakPolarHBondContact O-CB 3.49Å; R318-Q321 PolarHBondContact O-N 2.79Å; I319-Q321 VanDerWaalsContact C-N 3.33Å; I319-Q321 PolarHBondContact O-N 2.72Å; Q321-R323 VanDerWaalsContact C-N 3.29Å; Q321-R323 PolarHBondContact O-N 2.99Å; Q321-H324 PolarHBondContact O-N 2.87Å; Q321-E325 HydrophobicContact CG-CG 4.22Å; Q321-E325 VanDerWaalsContact CG-OE1 3.32Å; Q321-E325 WeakPolarHBondContact CG-OE1 3.48Å; Q321-E325 PolarHBondContact NE2-OE1 3.21Å; Q321-E325 PolarHBondContact O-N 3.33Å
322V85.4Confident82.3Confident3 Ų360.3 Ų60.32%0.01830%0.3CS..Hα-helixtrans-60.5-39.5177.2177.50000111.2R318 I319 H324 S326 I330 L359 L360R318-V322 VanDerWaalsContact O-CG2 3.3Å; R318-V322 WeakPolarHBondContact O-CG2 3.45Å; R318-V322 PolarHBondContact O-N 2.85Å; I319-V322 PolarHBondContact O-N 3.02Å; V322-H324 VanDerWaalsContact C-N 3.34Å; V322-H324 PolarHBondContact O-N 3.45Å; V322-S326 VanDerWaalsContact O-CB 3.23Å; V322-S326 WeakPolarHBondContact O-CB 3.06Å; V322-S326 PolarHBondContact O-N 3.33Å; V322-S326 PolarHBondContact O-OG 3.09Å; V322-I330 HydrophobicContact CB-CD1 4.38Å; V322-I330 HydrophobicContact CG1-CD1 3.64Å; V322-L359 HydrophobicContact CG1-CB 3.81Å; V322-L359 HydrophobicContact CG1-CD1 4.34Å; V322-L359 HydrophobicContact CG2-CB 4.18Å; V322-L360 HydrophobicContact CG1-CD2 4.02Å; V322-L360 HydrophobicContact CG1-CG 4.06Å
323R87.1Confident82.5Confident87 Ų8760.3 Ų60.333%0.32830%0.304SS..Hα-helixtrans-60-42.9172.7-73.9166.8175.9172.8-5.1112I319 N320 Q321 N327 I330I319-R323 WeakPolarHBondContact O-CB 3.07Å; I319-R323 VanDerWaalsContact O-CG 3.24Å; I319-R323 WeakPolarHBondContact O-CG 3.38Å; I319-R323 PolarHBondContact O-N 3.46Å; N320-R323 WeakPolarHBondContact O-CB 3.45Å; N320-R323 PolarHBondContact O-N 3.41Å; N320-R323 PolarHBondContact OD1-NH1 3.45Å; Q321-R323 VanDerWaalsContact C-N 3.29Å; Q321-R323 PolarHBondContact O-N 2.99Å; R323-N327 WeakPolarHBondContact O-CA 3.42Å; R323-N327 PolarHBondContact O-N 3.04Å; R323-N327 VanDerWaalsContact O-N 3.16Å; R323-I330 HydrophobicContact CG-CB 3.73Å; R323-I330 HydrophobicContact CG-CD1 3.93Å; R323-I330 HydrophobicContact CG-CG1 3.92Å; R323-I330 PolarHBondContact NE-O 2.96Å; R323-I330 PolarHBondContact NH2-O 2.99Å
324H83.2Confident82.9Confident149 Ų14968.5 Ų68.569%0.6934%0.335SS*.Hα-helixtrans-72.1-44.6-179.2-169.157.3000112.6N320 Q321 V322 N327N320-H324 WeakPolarHBondContact O-CB 3.48Å; N320-H324 PolarHBondContact O-N 3.32Å; Q321-H324 PolarHBondContact O-N 2.87Å; V322-H324 VanDerWaalsContact C-N 3.34Å; V322-H324 PolarHBondContact O-N 3.45Å; H324-N327 PolarHBondContact O-N 3.42Å
325E85.8Confident83.2Confident86 Ų8666.1 Ų66.140%0.40233%0.331SS..Hα-helixtrans-70.3-39-179-72.8179.3-174.700112.6Q321 N327 N355 L359Q321-E325 HydrophobicContact CG-CG 4.22Å; Q321-E325 VanDerWaalsContact CG-OE1 3.32Å; Q321-E325 WeakPolarHBondContact CG-OE1 3.48Å; Q321-E325 PolarHBondContact NE2-OE1 3.21Å; Q321-E325 PolarHBondContact O-N 3.33Å; E325-N327 VanDerWaalsContact C-N 3.34Å; E325-N355 PolarHBondContact O-ND2 3.2Å; E325-L359 HydrophobicContact CB-CD1 3.64Å; E325-L359 WeakPolarHBondContact OE2-CD2 3.24Å
326S86.9Confident83.7Confident1 Ų167.7 Ų67.71%0.00733%0.327CS..Hα-helixtrans-78.3-18.6177.563.90000113.7V322 A328 Q352V322-S326 VanDerWaalsContact O-CB 3.23Å; V322-S326 WeakPolarHBondContact O-CB 3.06Å; V322-S326 PolarHBondContact O-N 3.33Å; V322-S326 PolarHBondContact O-OG 3.09Å; S326-A328 PolarHBondContact O-N 2.8Å; S326-A328 VanDerWaalsContact O-N 3.12Å; S326-A328 WeakPolarHBondContact OG-CB 3.12Å; S326-A328 PolarHBondContact OG-N 2.97Å; S326-Q352 WeakPolarHBondContact O-CB 3.45Å; S326-Q352 WeakPolarHBondContact O-CG 3.39Å
327N88.1Confident83.8Confident112 Ų11273.2 Ų73.260%0.59936%0.36SS*.  trans5322.3-167.7-62-82.1000113.5R323 H324 E325 Q352R323-N327 WeakPolarHBondContact O-CA 3.42Å; R323-N327 PolarHBondContact O-N 3.04Å; R323-N327 VanDerWaalsContact O-N 3.16Å; H324-N327 PolarHBondContact O-N 3.42Å; E325-N327 VanDerWaalsContact C-N 3.34Å; N327-Q352 HydrophobicContact CB-CG 4.41Å; N327-Q352 PolarHBondContact O-NE2 3.29Å
328A89.3Confident84Confident6 Ų676.6 Ų76.65%0.0540%0.398CS..  trans-97.9147.3177.400000111.2S326 I330 I346 Q352 A356S326-A328 PolarHBondContact O-N 2.8Å; S326-A328 VanDerWaalsContact O-N 3.12Å; S326-A328 WeakPolarHBondContact OG-CB 3.12Å; S326-A328 PolarHBondContact OG-N 2.97Å; A328-I330 HydrophobicContact CB-CG1 4.28Å; A328-I330 PolarHBondContact O-N 3.44Å; A328-I346 HydrophobicContact CB-CG2 3.83Å; A328-Q352 HydrophobicContact CB-CB 4.17Å; A328-A356 HydrophobicContact CB-CB 4.08Å
329D90.9Very high84Confident75 Ų7577.4 Ų77.440%0.40141%0.408SS..EExtended strand (participates in β ladder)trans-77.4108.6168.3-17847.4000109.1K331 I346 T347D329-K331 WeakPolarHBondContact OD2-CE 3.03Å; D329-K331 IonicContact OD2-NZ 3.75Å; D329-K331 PolarHBondContact OD2-NZ 3.43Å; D329-K331 VanDerWaalsContact OD2-NZ 3.13Å; D329-I346 CarbonylContact O-C 3.59Å; D329-I346 WeakPolarHBondContact O-CA 3.24Å; D329-T347 PolarHBondContact N-O 3.45Å; D329-T347 PolarHBondContact O-N 3.27Å
330I91.4Very high83.8Confident0 Ų084.6 Ų84.60%044%0.441CS..EExtended strand (participates in β ladder)trans-109.4112.8-178.2-49.9176.4000109.5I319 V322 R323 A328 I344 T345 I346 A356I319-I330 HydrophobicContact CD1-CB 4.34Å; I319-I330 HydrophobicContact CD1-CD1 4.39Å; I319-I330 HydrophobicContact CD1-CG2 3.78Å; V322-I330 HydrophobicContact CB-CD1 4.38Å; V322-I330 HydrophobicContact CG1-CD1 3.64Å; R323-I330 HydrophobicContact CG-CB 3.73Å; R323-I330 HydrophobicContact CG-CD1 3.93Å; R323-I330 HydrophobicContact CG-CG1 3.92Å; R323-I330 PolarHBondContact NE-O 2.96Å; R323-I330 PolarHBondContact NH2-O 2.99Å; A328-I330 HydrophobicContact CB-CG1 4.28Å; A328-I330 PolarHBondContact O-N 3.44Å; I330-I344 HydrophobicContact CG2-CG2 3.34Å; I330-T345 CarbonylContact C-O 3.59Å; I330-T345 WeakPolarHBondContact CA-O 3.32Å; I330-I346 HydrophobicContact CG1-CG2 4.34Å; I330-I346 HydrophobicContact CG2-CG1 4.34Å; I330-A356 HydrophobicContact CD1-CB 4.11Å
331K89.4Confident83.8Confident124 Ų12483.7 Ų83.754%0.53944%0.436SS..EExtended strand (participates in β ladder)trans-108.1134.3176.9-72.2174.8179152.50110.5D329 I344 T345D329-K331 WeakPolarHBondContact OD2-CE 3.03Å; D329-K331 IonicContact OD2-NZ 3.75Å; D329-K331 PolarHBondContact OD2-NZ 3.43Å; D329-K331 VanDerWaalsContact OD2-NZ 3.13Å; K331-I344 CarbonylContact O-C 3.48Å; K331-T345 PolarHBondContact N-O 3.37Å; K331-T345 PolarHBondContact O-N 2.82Å
332I87.8Confident84.2Confident40 Ų4081.5 Ų81.521%0.20542%0.424CS..EExtended strand (participates in β ladder)trans-103.4120.9176.7-52.6175.7000107.4I308 M312 I319 R342I308-I332 HydrophobicContact CD1-CG2 4.12Å; I308-I332 HydrophobicContact CG1-CG2 4.37Å; M312-I332 HydrophobicContact CG-CD1 3.52Å; M312-I332 HydrophobicContact SD-CD1 3.62Å; I319-I332 HydrophobicContact CD1-CD1 4.45Å; I319-I332 HydrophobicContact CG1-CD1 4.05Å; I332-R342 VanDerWaalsContact CG2-NH2 3.3Å
333S83.6Confident84.3Confident46 Ų4684.5 Ų84.532%0.32244%0.439SS..PPolyproline II helixtrans-63.3154.5177.7-620000111.4R342 I343S333-R342 PolarHBondContact O-NE 3.43Å; S333-R342 VanDerWaalsContact O-NE 3.15Å; S333-R342 PolarHBondContact O-NH2 3.43Å; S333-I343 WeakPolarHBondContact CB-O 3.38Å; S333-I343 PolarHBondContact N-O 2.87Å; S333-I343 PolarHBondContact OG-O 3.34Å
334K80.5Confident84.5Confident191 Ų19180.3 Ų80.383%0.8342%0.423SS*.PPolyproline II helixtrans-61.9147.5169.7-67.4-177.1-179.2178.70108.8E336K334-E336 PolarHBondContact O-N 3.45Å
335Q76.9Confident84.9Confident119 Ų11974.6 Ų74.656%0.55640%0.399SS*.PPolyproline II helixtrans-68.3122.6174.5-175.3175.8-1.500108.5N305 R342N305-Q335 PolarHBondContact ND2-NE2 3.15Å; Q335-R342 HydrophobicContact CB-CG 4.35Å; Q335-R342 HydrophobicContact CG-CG 4.49Å
336E77.2Confident85.2Confident128 Ų12870.5 Ų70.560%0.59838%0.38SS*.PPolyproline II helixtrans-80.9139.5174.8-72.3-173170.400110.2K334 G338 V339K334-E336 PolarHBondContact O-N 3.45Å; E336-G338 PolarHBondContact O-N 3.17Å; E336-V339 HydrophobicContact CB-CB 4.18Å; E336-V339 HydrophobicContact CB-CG2 3.84Å; E336-V339 PolarHBondContact O-N 2.92Å; E336-V339 VanDerWaalsContact O-N 3.16Å
337P74.3Confident85.5Confident135 Ų13572.5 Ų72.588%0.87739%0.392SS*.THydrogen-bonded Turntrans-60.1121.6178.6-16.728.2000110.5
338G77.4Confident85.7Confident85 Ų8567.3 Ų67.388%0.87637%0.365SS*.THydrogen-bonded Turntrans89.4-7.3179.100000115.5E336E336-G338 PolarHBondContact O-N 3.17Å
339V80.3Confident85.8Confident63 Ų6368.1 Ų68.138%0.38237%0.369SS..  trans-96.4116.3174.9-169.40000109.2N305 E336 D341N305-V339 PolarHBondContact ND2-O 3.26Å; E336-V339 HydrophobicContact CB-CB 4.18Å; E336-V339 HydrophobicContact CB-CG2 3.84Å; E336-V339 PolarHBondContact O-N 2.92Å; E336-V339 VanDerWaalsContact O-N 3.16Å; V339-D341 HydrophobicContact CG1-CB 4.34Å; V339-D341 VanDerWaalsContact CG1-O 3.28Å; V339-D341 WeakPolarHBondContact CG1-O 3.43Å; V339-D341 PolarHBondContact O-N 3.33Å
340E79.9Confident85.8Confident156 Ų15668.4 Ų68.473%0.72938%0.375SS*.SBendtrans-72.8-17176.8-71.1-164.3168.800113.1N305N305-E340 VanDerWaalsContact CB-O 3.23Å; N305-E340 WeakPolarHBondContact CB-O 3.36Å; N305-E340 PolarHBondContact N-O 2.97Å; N305-E340 VanDerWaalsContact ND2-C 3.3Å; N305-E340 PolarHBondContact ND2-O 3.44Å
341D84.8Confident85.8Confident59 Ų5975.7 Ų75.732%0.31641%0.409SS..EExtended strand (participates in β ladder)trans-99.9146.7177.8-71.8-6000111.8S302 S304 V339S302-D341 VanDerWaalsContact OG-CB 3.28Å; S302-D341 WeakPolarHBondContact OG-CB 3.3Å; S302-D341 PolarHBondContact OG-OD2 2.67Å; S302-D341 VanDerWaalsContact OG-OD2 3.11Å; S304-D341 WeakPolarHBondContact CA-OD1 3.32Å; S304-D341 VanDerWaalsContact CB-OD1 3.3Å; S304-D341 WeakPolarHBondContact CB-OD1 3.32Å; S304-D341 PolarHBondContact N-OD1 2.79Å; S304-D341 PolarHBondContact OG-OD1 3.09Å; V339-D341 HydrophobicContact CG1-CB 4.34Å; V339-D341 VanDerWaalsContact CG1-O 3.28Å; V339-D341 WeakPolarHBondContact CG1-O 3.43Å; V339-D341 PolarHBondContact O-N 3.33Å
342R87.3Confident86Confident46 Ų4672.5 Ų72.517%0.17440%0.396CS..EExtended strand (participates in β ladder)trans-115.2139.6171.5-74.8178.372.4-174.64.1109.8V303 N305 I332 S333 Q335V303-R342 PolarHBondContact N-O 3.24Å; V303-R342 PolarHBondContact O-N 2.98Å; N305-R342 WeakPolarHBondContact OD1-CD 3.42Å; N305-R342 WeakPolarHBondContact OD1-CG 3.39Å; I332-R342 VanDerWaalsContact CG2-NH2 3.3Å; S333-R342 PolarHBondContact O-NE 3.43Å; S333-R342 VanDerWaalsContact O-NE 3.15Å; S333-R342 PolarHBondContact O-NH2 3.43Å; Q335-R342 HydrophobicContact CB-CG 4.35Å; Q335-R342 HydrophobicContact CG-CG 4.49Å
343I87.9Confident86.2Confident66 Ų6671 Ų7134%0.33839%0.388SS..EExtended strand (participates in β ladder)trans-87.8127178.5-57.3173.7000109.1Q300 S333Q300-I343 HydrophobicContact CB-CG2 3.84Å; Q300-I343 HydrophobicContact CG-CG2 4.16Å; S333-I343 WeakPolarHBondContact CB-O 3.38Å; S333-I343 PolarHBondContact N-O 2.87Å; S333-I343 PolarHBondContact OG-O 3.34Å
344I90.8Very high86.6Confident0 Ų075.4 Ų75.40%040%0.404CS..EExtended strand (participates in β ladder)trans-101119.6168.3-54.7178.6000107.4Q300 V301 V303 I308 I311 I330 K331 I346 L360Q300-I344 CarbonylContact C-O 3.55Å; Q300-I344 WeakPolarHBondContact CA-O 3.31Å; V301-I344 PolarHBondContact N-O 2.89Å; V301-I344 PolarHBondContact O-N 2.96Å; V303-I344 HydrophobicContact CB-CD1 4.32Å; V303-I344 HydrophobicContact CG2-CD1 3.75Å; V303-I344 HydrophobicContact CG2-CG1 4.3Å; I308-I344 HydrophobicContact CD1-CD1 3.52Å; I308-I344 HydrophobicContact CD1-CG1 3.74Å; I311-I344 HydrophobicContact CD1-CD1 3.88Å; I311-I344 HydrophobicContact CG2-CD1 4.41Å; I330-I344 HydrophobicContact CG2-CG2 3.34Å; K331-I344 CarbonylContact O-C 3.48Å; I344-I346 HydrophobicContact CG2-CG1 4.19Å; I344-L360 HydrophobicContact CD1-CD2 4.38Å; I344-L360 HydrophobicContact CG2-CD1 4.3Å
345T92Very high87.1Confident29 Ų2969.5 Ų69.518%0.17838%0.381CS..EExtended strand (participates in β ladder)trans-98121.3174.1-55.70000109.1Q300 I330 K331Q300-T345 HydrophobicContact CG-CG2 4.23Å; I330-T345 CarbonylContact C-O 3.59Å; I330-T345 WeakPolarHBondContact CA-O 3.32Å; K331-T345 PolarHBondContact N-O 3.37Å; K331-T345 PolarHBondContact O-N 2.82Å
346I93.2Very high87.8Confident0 Ų063.8 Ų63.80%036%0.355CS..EExtended strand (participates in β ladder)trans-111.1122.4-179.9-52.1168.8000107.4S298 T299 V301 A328 D329 I330 I344 I353 A356 Q357 L360S298-I346 CarbonylContact C-O 3.52Å; S298-I346 VanDerWaalsContact CA-O 3.24Å; S298-I346 WeakPolarHBondContact CA-O 3.16Å; T299-I346 PolarHBondContact N-O 2.88Å; T299-I346 PolarHBondContact O-N 2.91Å; V301-I346 HydrophobicContact CG2-CD1 4.09Å; A328-I346 HydrophobicContact CB-CG2 3.83Å; D329-I346 CarbonylContact O-C 3.59Å; D329-I346 WeakPolarHBondContact O-CA 3.24Å; I330-I346 HydrophobicContact CG1-CG2 4.34Å; I330-I346 HydrophobicContact CG2-CG1 4.34Å; I344-I346 HydrophobicContact CG2-CG1 4.19Å; I346-I353 HydrophobicContact CG2-CB 4.37Å; I346-I353 HydrophobicContact CG2-CG1 4.08Å; I346-I353 HydrophobicContact CG2-CG2 4.31Å; I346-A356 HydrophobicContact CD1-CB 4.25Å; I346-A356 HydrophobicContact CG2-CB 3.7Å; I346-Q357 HydrophobicContact CD1-CG 3.76Å; I346-L360 HydrophobicContact CD1-CD1 3.54Å; I346-L360 HydrophobicContact CG1-CD1 4.23Å
347T92.1Very high88.4Confident43 Ų4360.6 Ų60.626%0.26434%0.34SS..EExtended strand (participates in β ladder)trans-121.7129.9179.4-48.90000109.8T297 D329T297-T347 WeakPolarHBondContact O-CA 3.39Å; D329-T347 PolarHBondContact N-O 3.45Å; D329-T347 PolarHBondContact O-N 3.27Å
348G93.1Very high89.2Confident3 Ų359.8 Ų59.83%0.03132%0.323CS..EExtended strand (participates in β ladder)trans170.2-168.9-177.400000112.3T296 T297 Q352T296-G348 CarbonylContact C-O 3.56Å; T296-G348 VanDerWaalsContact CA-O 3.24Å; T296-G348 WeakPolarHBondContact CA-O 3.41Å; T297-G348 PolarHBondContact N-O 3.33Å; T297-G348 PolarHBondContact O-N 3.13Å; G348-Q352 VanDerWaalsContact CA-OE1 3.29Å
349T91.9Very high89.7Confident23 Ų2356.9 Ų56.914%0.14129%0.287CS..  trans-68.2156.3169.5700000110.3T294 E351 Q352 I353T294-T349 WeakPolarHBondContact OG1-CG2 3.43Å; T349-E351 PolarHBondContact O-N 2.81Å; T349-E351 VanDerWaalsContact O-N 3.11Å; T349-Q352 WeakPolarHBondContact O-CB 3.5Å; T349-Q352 PolarHBondContact O-N 3.1Å; T349-Q352 WeakPolarHBondContact OG1-CG 3.24Å; T349-Q352 PolarHBondContact OG1-N 2.79Å; T349-I353 WeakPolarHBondContact O-CG1 3.34Å; T349-I353 PolarHBondContact O-N 2.79Å
350P91.1Very high90.1Very high80 Ų8054.3 Ų54.352%0.51927%0.271SS..Hα-helixtrans-52.3-36177.9-28.335.5000113.6Q354P350-Q354 WeakPolarHBondContact O-CB 3.41Å; P350-Q354 PolarHBondContact O-N 2.81Å
351E91.2Very high90.4Very high154 Ų15453.2 Ų53.272%0.7227%0.266SS*.Hα-helixtrans-68.1-45.1175.4-173177-171.500112.3T349 I353 Q354 N355T349-E351 PolarHBondContact O-N 2.81Å; T349-E351 VanDerWaalsContact O-N 3.11Å; E351-I353 VanDerWaalsContact C-N 3.33Å; E351-I353 PolarHBondContact O-N 2.81Å; E351-Q354 PolarHBondContact O-N 3.24Å; E351-N355 WeakPolarHBondContact O-CB 3.41Å; E351-N355 PolarHBondContact O-N 2.93Å
352Q92.5Very high90.3Very high57 Ų5755.1 Ų55.127%0.26627%0.274SS..Hα-helixtrans-61.6-41.3175.3-70.9170.2-13.800111.6S326 N327 A328 G348 T349 N355 A356S326-Q352 WeakPolarHBondContact O-CB 3.45Å; S326-Q352 WeakPolarHBondContact O-CG 3.39Å; N327-Q352 HydrophobicContact CB-CG 4.41Å; N327-Q352 PolarHBondContact O-NE2 3.29Å; A328-Q352 HydrophobicContact CB-CB 4.17Å; G348-Q352 VanDerWaalsContact CA-OE1 3.29Å; T349-Q352 WeakPolarHBondContact O-CB 3.5Å; T349-Q352 PolarHBondContact O-N 3.1Å; T349-Q352 WeakPolarHBondContact OG1-CG 3.24Å; T349-Q352 PolarHBondContact OG1-N 2.79Å; Q352-N355 PolarHBondContact O-N 3.32Å; Q352-A356 VanDerWaalsContact O-CB 3.3Å; Q352-A356 WeakPolarHBondContact O-CB 3.32Å; Q352-A356 PolarHBondContact O-N 3.21Å
353I92.4Very high90Very high7 Ų753.7 Ų53.74%0.03627%0.271CS..Hα-helixtrans-65.3-46.7177.7-64.6168.6000110.6T297 I346 T349 E351 N355 A356 Q357T297-I353 WeakPolarHBondContact O-CD1 3.37Å; T297-I353 WeakPolarHBondContact OG1-CD1 3.24Å; I346-I353 HydrophobicContact CG2-CB 4.37Å; I346-I353 HydrophobicContact CG2-CG1 4.08Å; I346-I353 HydrophobicContact CG2-CG2 4.31Å; T349-I353 WeakPolarHBondContact O-CG1 3.34Å; T349-I353 PolarHBondContact O-N 2.79Å; E351-I353 VanDerWaalsContact C-N 3.33Å; E351-I353 PolarHBondContact O-N 2.81Å; I353-N355 VanDerWaalsContact C-N 3.31Å; I353-N355 PolarHBondContact O-N 2.77Å; I353-A356 PolarHBondContact O-N 2.87Å; I353-Q357 HydrophobicContact CG2-CG 4.28Å; I353-Q357 WeakPolarHBondContact O-CB 3.46Å; I353-Q357 VanDerWaalsContact O-CG 3.31Å; I353-Q357 WeakPolarHBondContact O-CG 3.11Å; I353-Q357 PolarHBondContact O-N 2.92Å
354Q91.3Very high89.8Confident140 Ų14052.3 Ų52.365%0.65427%0.266SS*.Hα-helixtrans-60.8-43.4178.7-172.8177.815.200111P350 E351 Q357 F358P350-Q354 WeakPolarHBondContact O-CB 3.41Å; P350-Q354 PolarHBondContact O-N 2.81Å; E351-Q354 PolarHBondContact O-N 3.24Å; Q354-Q357 PolarHBondContact O-N 2.84Å; Q354-F358 WeakPolarHBondContact O-CB 3.49Å; Q354-F358 PolarHBondContact O-N 3.35Å
355N92.2Very high89.2Confident66 Ų6660.9 Ų60.935%0.35330%0.303SS..Hα-helixtrans-63.4-45.8175.6-167.919.1000111.6E325 E351 Q352 I353 Q357 F358 L359E325-N355 PolarHBondContact O-ND2 3.2Å; E351-N355 WeakPolarHBondContact O-CB 3.41Å; E351-N355 PolarHBondContact O-N 2.93Å; Q352-N355 PolarHBondContact O-N 3.32Å; I353-N355 VanDerWaalsContact C-N 3.31Å; I353-N355 PolarHBondContact O-N 2.77Å; N355-Q357 PolarHBondContact O-N 3.47Å; N355-F358 PolarHBondContact O-N 3.4Å; N355-L359 WeakPolarHBondContact O-CB 3.33Å; N355-L359 WeakPolarHBondContact O-CG 3.37Å; N355-L359 PolarHBondContact O-N 3.27Å
356A90.9Very high88.4Confident0 Ų065.2 Ų65.20%032%0.316CS..Hα-helixtrans-58.7-46.8175.200000112A328 I330 I346 Q352 I353 F358 L359 L360A328-A356 HydrophobicContact CB-CB 4.08Å; I330-A356 HydrophobicContact CD1-CB 4.11Å; I346-A356 HydrophobicContact CD1-CB 4.25Å; I346-A356 HydrophobicContact CG2-CB 3.7Å; Q352-A356 VanDerWaalsContact O-CB 3.3Å; Q352-A356 WeakPolarHBondContact O-CB 3.32Å; Q352-A356 PolarHBondContact O-N 3.21Å; I353-A356 PolarHBondContact O-N 2.87Å; A356-F358 VanDerWaalsContact C-N 3.33Å; A356-F358 PolarHBondContact O-N 3.15Å; A356-L359 PolarHBondContact O-N 2.9Å; A356-L360 WeakPolarHBondContact O-CB 3.3Å; A356-L360 WeakPolarHBondContact O-CG 3.2Å; A356-L360 PolarHBondContact O-N 2.86Å
357Q90.8Very high87.3Confident61 Ų6166.7 Ų66.729%0.28532%0.322SS..Hα-helixtrans-60-44177.6-76179.9-2300111.7T299 V301 I346 I353 Q354 N355 L360 Q361T299-Q357 VanDerWaalsContact CG2-NE2 3.33Å; V301-Q357 HydrophobicContact CG2-CG 4.39Å; I346-Q357 HydrophobicContact CD1-CG 3.76Å; I353-Q357 HydrophobicContact CG2-CG 4.28Å; I353-Q357 WeakPolarHBondContact O-CB 3.46Å; I353-Q357 VanDerWaalsContact O-CG 3.31Å; I353-Q357 WeakPolarHBondContact O-CG 3.11Å; I353-Q357 PolarHBondContact O-N 2.92Å; Q354-Q357 PolarHBondContact O-N 2.84Å; N355-Q357 PolarHBondContact O-N 3.47Å; Q357-L360 PolarHBondContact O-N 3.09Å; Q357-Q361 WeakPolarHBondContact O-CB 2.94Å; Q357-Q361 VanDerWaalsContact O-CG 3.32Å; Q357-Q361 WeakPolarHBondContact O-CG 3.37Å; Q357-Q361 PolarHBondContact O-N 3.39Å
358F90.8Very high86.1Confident117 Ų11765.1 Ų65.151%0.51331%0.314SS..Hα-helixtrans-61.2-49.2176.5179.3-104.6000111.6Q354 N355 A356 L360 Q361 M362Q354-F358 WeakPolarHBondContact O-CB 3.49Å; Q354-F358 PolarHBondContact O-N 3.35Å; N355-F358 PolarHBondContact O-N 3.4Å; A356-F358 VanDerWaalsContact C-N 3.33Å; A356-F358 PolarHBondContact O-N 3.15Å; F358-L360 PolarHBondContact O-N 2.88Å; F358-Q361 PolarHBondContact O-N 3.39Å; F358-M362 HydrophobicContact CD1-CG 4.37Å; F358-M362 HydrophobicContact CD1-SD 4.27Å; F358-M362 HydrophobicContact CE1-CG 4Å; F358-M362 HydrophobicContact CE1-SD 3.45Å; F358-M362 WeakPolarHBondContact CE1-SD 3.17Å; F358-M362 HydrophobicContact CE2-CG 4.37Å; F358-M362 HydrophobicContact CZ-CG 4Å; F358-M362 HydrophobicContact CZ-SD 3.6Å; F358-M362 WeakPolarHBondContact O-CG 3.28Å; F358-M362 PolarHBondContact O-N 2.84Å
359L88.2Confident84.5Confident25 Ų2572.3 Ų72.313%0.13135%0.352CS..Hα-helixtrans-62-40.2177.9-71173.1000112.5V322 E325 N355 A356 M362 C363V322-L359 HydrophobicContact CG1-CB 3.81Å; V322-L359 HydrophobicContact CG1-CD1 4.34Å; V322-L359 HydrophobicContact CG2-CB 4.18Å; E325-L359 HydrophobicContact CB-CD1 3.64Å; E325-L359 WeakPolarHBondContact OE2-CD2 3.24Å; N355-L359 WeakPolarHBondContact O-CB 3.33Å; N355-L359 WeakPolarHBondContact O-CG 3.37Å; N355-L359 PolarHBondContact O-N 3.27Å; A356-L359 PolarHBondContact O-N 2.9Å; L359-M362 PolarHBondContact O-N 3.31Å; L359-C363 PolarHBondContact O-N 2.79Å; L359-C363 PolarHBondContact O-SG 2.79Å
360L87.7Confident82.6Confident8 Ų878 Ų784%0.04238%0.377CS..Hα-helixtrans-62-46.7174.7-71.1171.2000111.2I311 I319 V322 I344 I346 A356 Q357 F358 M362 C363 V364I311-L360 HydrophobicContact CD1-CD2 4.34Å; I311-L360 HydrophobicContact CG2-CD2 3.34Å; I319-L360 HydrophobicContact CD1-CD2 4.1Å; V322-L360 HydrophobicContact CG1-CD2 4.02Å; V322-L360 HydrophobicContact CG1-CG 4.06Å; I344-L360 HydrophobicContact CD1-CD2 4.38Å; I344-L360 HydrophobicContact CG2-CD1 4.3Å; I346-L360 HydrophobicContact CD1-CD1 3.54Å; I346-L360 HydrophobicContact CG1-CD1 4.23Å; A356-L360 WeakPolarHBondContact O-CB 3.3Å; A356-L360 WeakPolarHBondContact O-CG 3.2Å; A356-L360 PolarHBondContact O-N 2.86Å; Q357-L360 PolarHBondContact O-N 3.09Å; F358-L360 PolarHBondContact O-N 2.88Å; L360-M362 VanDerWaalsContact C-N 3.32Å; L360-M362 PolarHBondContact O-N 3.48Å; L360-C363 WeakPolarHBondContact O-CB 3.23Å; L360-C363 PolarHBondContact O-N 3.44Å; L360-C363 VanDerWaalsContact O-N 3.17Å; L360-V364 WeakPolarHBondContact O-CG2 3.45Å; L360-V364 PolarHBondContact O-N 3.42Å
361Q86.4Confident80.2Confident134 Ų13481.7 Ų81.763%0.62639%0.391SS*.Hα-helixtrans-61.7-39.7176.1-73.6176.60.500111.9Q357 F358 C363 V364 K365Q357-Q361 WeakPolarHBondContact O-CB 2.94Å; Q357-Q361 VanDerWaalsContact O-CG 3.32Å; Q357-Q361 WeakPolarHBondContact O-CG 3.37Å; Q357-Q361 PolarHBondContact O-N 3.39Å; F358-Q361 PolarHBondContact O-N 3.39Å; Q361-C363 VanDerWaalsContact C-N 3.35Å; Q361-V364 PolarHBondContact O-N 3.46Å; Q361-K365 WeakPolarHBondContact O-CB 3.28Å; Q361-K365 PolarHBondContact O-N 3.13Å
362M83.7Confident79.6Confident99 Ų9978.1 Ų78.149%0.48837%0.374SS..Hα-helixtrans-62.3-41.4173.8-71.8-1537700112F358 L359 L360 K365 R366F358-M362 HydrophobicContact CD1-CG 4.37Å; F358-M362 HydrophobicContact CD1-SD 4.27Å; F358-M362 HydrophobicContact CE1-CG 4Å; F358-M362 HydrophobicContact CE1-SD 3.45Å; F358-M362 WeakPolarHBondContact CE1-SD 3.17Å; F358-M362 HydrophobicContact CE2-CG 4.37Å; F358-M362 HydrophobicContact CZ-CG 4Å; F358-M362 HydrophobicContact CZ-SD 3.6Å; F358-M362 WeakPolarHBondContact O-CG 3.28Å; F358-M362 PolarHBondContact O-N 2.84Å; L359-M362 PolarHBondContact O-N 3.31Å; L360-M362 VanDerWaalsContact C-N 3.32Å; L360-M362 PolarHBondContact O-N 3.48Å; M362-K365 PolarHBondContact O-N 3.33Å; M362-R366 VanDerWaalsContact O-CB 3.24Å; M362-R366 WeakPolarHBondContact O-CB 3.17Å; M362-R366 PolarHBondContact O-N 3.07Å
363C80.4Confident79Confident16 Ų1679.2 Ų79.211%0.10838%0.38CS..Hα-helixtrans-62.5-44176.1-67.90000111.6I311 R318 L359 L360 Q361 Y367I311-C363 HydrophobicContact CG1-CB 4.4Å; R318-C363 VanDerWaalsContact CD-SG 3.56Å; R318-C363 HydrophobicContact CG-CB 4.47Å; L359-C363 PolarHBondContact O-N 2.79Å; L359-C363 PolarHBondContact O-SG 2.79Å; L360-C363 WeakPolarHBondContact O-CB 3.23Å; L360-C363 PolarHBondContact O-N 3.44Å; L360-C363 VanDerWaalsContact O-N 3.17Å; Q361-C363 VanDerWaalsContact C-N 3.35Å; C363-Y367 WeakPolarHBondContact O-CB 3.3Å; C363-Y367 WeakPolarHBondContact O-CD2 3.11Å; C363-Y367 PolarHBondContact O-N 2.82Å; C363-Y367 VanDerWaalsContact O-N 3.09Å
364V82.8Confident78.2Confident37 Ų3783.2 Ų83.222%0.22440%0.399CS..Hα-helixtrans-61.7-47.7175.2175.90000110.8M307 I311 L360 Q361 R366 G368M307-V364 HydrophobicContact CB-CG1 4.27Å; M307-V364 HydrophobicContact CB-CG2 4.4Å; M307-V364 HydrophobicContact CE-CG1 4.5Å; M307-V364 HydrophobicContact CG-CG1 4.08Å; M307-V364 HydrophobicContact SD-CG1 3.8Å; I311-V364 HydrophobicContact CD1-CG2 3.41Å; I311-V364 VanDerWaalsContact CD1-CG2 3.41Å; I311-V364 HydrophobicContact CG1-CG2 3.45Å; I311-V364 VanDerWaalsContact CG1-CG2 3.45Å; L360-V364 WeakPolarHBondContact O-CG2 3.45Å; L360-V364 PolarHBondContact O-N 3.42Å; Q361-V364 PolarHBondContact O-N 3.46Å; V364-R366 PolarHBondContact O-N 3.11Å; V364-G368 WeakPolarHBondContact O-CA 3.38Å; V364-G368 PolarHBondContact O-N 3.19Å
365K78.9Confident77.5Confident179 Ų17979.8 Ų79.878%0.77838%0.384SS*.Hα-helixtrans-66.8-37.3-177.3-170.4176-178.8178.20112.9Q361 M362Q361-K365 WeakPolarHBondContact O-CB 3.28Å; Q361-K365 PolarHBondContact O-N 3.13Å; M362-K365 PolarHBondContact O-N 3.33Å
366R74.8Confident76.5Confident120 Ų12080.7 Ų80.745%0.45339%0.386SS..Hα-helixtrans-79.6-31.6-176.1-174.8171.3-179.9150.50113.2F171 M362 V364F171-R366 VanDerWaalsContact CD1-NH2 3.29Å; M362-R366 VanDerWaalsContact O-CB 3.24Å; M362-R366 WeakPolarHBondContact O-CB 3.17Å; M362-R366 PolarHBondContact O-N 3.07Å; V364-R366 PolarHBondContact O-N 3.11Å
367Y71.2Confident75.6Confident31 Ų3186.1 Ų86.112%0.12241%0.412CS..Hα-helixtrans-122.1-3.2-170.9-58.8-78.9000113.6D169 R318 C363 D369 Q370D169-Y367 PolarHBondContact OD2-OH 3.33Å; R318-Y367 VanDerWaalsContact NE-CE2 3.28Å; R318-Y367 VanDerWaalsContact NH2-CE2 3.26Å; R318-Y367 PolarHBondContact NH2-OH 3.38Å; C363-Y367 WeakPolarHBondContact O-CB 3.3Å; C363-Y367 WeakPolarHBondContact O-CD2 3.11Å; C363-Y367 PolarHBondContact O-N 2.82Å; C363-Y367 VanDerWaalsContact O-N 3.09Å; Y367-D369 VanDerWaalsContact C-N 3.29Å; Y367-Q370 PolarHBondContact O-N 2.74Å
368G65.6Low74.5Confident11 Ų1187.9 Ų87.911%0.11342%0.421CS..G310 helixtrans-66-31174.500000112.9V364 Q370V364-G368 WeakPolarHBondContact O-CA 3.38Å; V364-G368 PolarHBondContact O-N 3.19Å; G368-Q370 VanDerWaalsContact C-N 3.29Å; G368-Q370 PolarHBondContact O-N 3.16Å
369D60.3Low73.2Confident153 Ų15385.6 Ų85.682%0.81841%0.414SS*.G310 helixtrans-81.1-5.3177.4-64.2-24.4000113.5Y367Y367-D369 VanDerWaalsContact C-N 3.29Å
370Q50.6Low72Confident144 Ų14490.7 Ų90.767%0.67344%0.437SS*.G310 helixtrans-92.45.1-178.2-72.1-171.7-10.700114.1Y367 G368Y367-Q370 PolarHBondContact O-N 2.74Å; G368-Q370 VanDerWaalsContact C-N 3.29Å; G368-Q370 PolarHBondContact O-N 3.16Å
371I41.6Very low70.6Confident156 Ų15698.2 Ų98.280%0.847%0.473SS*.  trans-117.20175.8-54.5172.3000107.9K306 A310K306-I371 WeakPolarHBondContact O-CD1 2.84Å; A310-I371 HydrophobicContact CB-CD1 4.29Å

Retrieved 371 of 371 residues in 63.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).