A0A077ZP54_TRITR Loading...

Calcium:calmodulin dependent protein kinase

AlphaFold DB , UniProt , Accession A0A077ZP54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low42.8Very low243 Ų243147.1 Ų147.1100%1.19782%0.815SS**  0113.20-74.8168.271.200106.9
2A40.8Very low45Very low106 Ų106141.4 Ų141.488%0.87679%0.787SS**PPolyproline II helixtrans-76.8120.4176.900000108.6A4A2-A4 PolarHBondContact O-N 3.43Å
3E35.5Very low47Very low190 Ų190139.9 Ų139.989%0.88877%0.767SS**PPolyproline II helixtrans-63.8126.9168.9-81.7-176.1137.100108.9
4A37.4Very low49.2Very low82 Ų82130.7 Ų130.768%0.67872%0.717SS**PPolyproline II helixtrans-63.1143.8173.700000110.1A2 K6A2-A4 PolarHBondContact O-N 3.43Å; A4-K6 PolarHBondContact O-N 3.05Å; A4-K6 VanDerWaalsContact O-N 3.16Å
5P33.9Very low51.4Low123 Ų123128.8 Ų128.880%0.79970%0.704SS**PPolyproline II helixtrans-65120.2-179.326.1-30.3000108.9E7P5-E7 PolarHBondContact O-N 3.16Å
6K42.8Very low53.6Low200 Ų200127 Ų12787%0.8769%0.689SS**  trans-59.1113.5169.6-73.7-179.3178.6174.30107.4A4 N8A4-K6 PolarHBondContact O-N 3.05Å; A4-K6 VanDerWaalsContact O-N 3.16Å; K6-N8 PolarHBondContact O-N 3.26Å
7E39.1Very low56Low171 Ų171121.1 Ų121.180%0.79965%0.654SS**  trans-46.4129.8172.6-83.7-177143.600109.2P5 I9P5-E7 PolarHBondContact O-N 3.16Å; E7-I9 HydrophobicContact CB-CG1 4.48Å; E7-I9 PolarHBondContact O-N 3.45Å
8N45.1Very low58.2Low167 Ų167118 Ų11889%0.89364%0.637SS**  trans-75.673.7-176.4-148.810.1000108.5K6 P10K6-N8 PolarHBondContact O-N 3.26Å; N8-P10 WeakPolarHBondContact O-CD 3.46Å
9I47.2Very low60.1Low124 Ų124112.6 Ų112.664%0.63661%0.607SS**  trans-64.8123.4179.4-60.7170.4000107.1E7 V11E7-I9 HydrophobicContact CB-CG1 4.48Å; E7-I9 PolarHBondContact O-N 3.45Å; I9-V11 PolarHBondContact O-N 3.02Å
10P47Very low61.9Low110 Ų110108.9 Ų108.971%0.71460%0.597SS**  trans-54.4116.4-179.2-23.530.8000110.7N8 V12N8-P10 WeakPolarHBondContact O-CD 3.46Å; P10-V12 PolarHBondContact O-N 2.78Å; P10-V12 VanDerWaalsContact O-N 3.14Å
11V59.5Low63.5Low102 Ų102110 Ų11062%0.61860%0.598SS**  trans-74.2106.5177.8-179.60000108.3I9 K13 I18I9-V11 PolarHBondContact O-N 3.02Å; V11-K13 PolarHBondContact O-N 3.42Å; V11-I18 HydrophobicContact CG1-CB 4.42Å; V11-I18 HydrophobicContact CG1-CG1 4.37Å; V11-I18 HydrophobicContact CG1-CG2 3.56Å
12V68.6Low66Low79 Ų79101.6 Ų101.648%0.47956%0.56SS.*  trans-82.8113.1174.4-179.20000108.3P10 L19P10-V12 PolarHBondContact O-N 2.78Å; P10-V12 VanDerWaalsContact O-N 3.14Å; V12-L19 HydrophobicContact CB-CD1 4.19Å; V12-L19 HydrophobicContact CG1-CD1 4.06Å; V12-L19 WeakPolarHBondContact O-CB 3.35Å; V12-L19 PolarHBondContact O-N 2.87Å; V12-L19 VanDerWaalsContact O-N 3.13Å
13K71Confident68.4Low122 Ų122100 Ų10053%0.5354%0.537SS..EExtended strand (participates in β ladder)trans-89.4119.6175.2-177.8170.4173152.80110.3V11 I15 E37V11-K13 PolarHBondContact O-N 3.42Å; K13-I15 VanDerWaalsContact CE-O 3.23Å; K13-I15 WeakPolarHBondContact CE-O 3.14Å; K13-E37 WeakPolarHBondContact CD-OE1 3.1Å; K13-E37 VanDerWaalsContact CE-CD 3.43Å; K13-E37 WeakPolarHBondContact CE-OE1 3.48Å; K13-E37 WeakPolarHBondContact CE-OE2 3.39Å; K13-E37 IonicContact NZ-OE1 2.83Å; K13-E37 PolarHBondContact NZ-OE1 2.67Å; K13-E37 IonicContact NZ-OE2 3.67Å; K13-E37 PolarHBondContact NZ-OE2 3.2Å
14L78.5Confident71Confident11 Ų1192.4 Ų92.46%0.05851%0.509CS..EExtended strand (participates in β ladder)trans-10592.5173.6178.571.1000109.3H16 Y17 V45 I84 F91 I93L14-H16 PolarHBondContact O-N 3Å; L14-Y17 PolarHBondContact N-O 2.85Å; L14-Y17 PolarHBondContact O-N 3.44Å; L14-V45 HydrophobicContact CD2-CG1 4.39Å; L14-I84 HydrophobicContact CD1-CG2 4.12Å; L14-I84 HydrophobicContact CD2-CD1 3.92Å; L14-I84 HydrophobicContact CG-CD1 4.08Å; L14-F91 HydrophobicContact CD1-CD1 4.05Å; L14-F91 HydrophobicContact CD1-CD2 3.66Å; L14-F91 HydrophobicContact CD1-CE1 4.06Å; L14-F91 HydrophobicContact CD1-CE2 3.68Å; L14-F91 HydrophobicContact CD1-CG 3.86Å; L14-F91 HydrophobicContact CD1-CZ 3.89Å; L14-F91 HydrophobicContact CD2-CB 3.68Å; L14-F91 HydrophobicContact CD2-CD1 3.56Å; L14-F91 HydrophobicContact CD2-CD2 4.21Å; L14-F91 HydrophobicContact CD2-CE1 4.23Å; L14-F91 HydrophobicContact CD2-CG 3.55Å; L14-F91 HydrophobicContact CG-CD1 4.4Å; L14-F91 HydrophobicContact CG-CG 4.37Å; L14-I93 HydrophobicContact CD2-CD1 3.97Å
15I81.4Confident73.3Confident102 Ų10293.9 Ų93.952%0.52351%0.509SS..THydrogen-bonded Turntrans54.9-75.8-177.4-46.7-178.5000112.4K13 I84K13-I15 VanDerWaalsContact CE-O 3.23Å; K13-I15 WeakPolarHBondContact CE-O 3.14Å; I15-I84 HydrophobicContact CD1-CD1 4.18Å; I15-I84 HydrophobicContact CD1-CG1 4.43Å; I15-I84 HydrophobicContact CD1-CG2 3.69Å; I15-I84 HydrophobicContact CG1-CG2 4.49Å
16H87.6Confident75.3Confident100 Ų10089.3 Ų89.346%0.46349%0.485SS..THydrogen-bonded Turntrans-127.18.1-179.1-58.5-58.9000113.9L14 H36 E37L14-H16 PolarHBondContact O-N 3Å; H16-H36 CarbonylContact O-C 3.59Å; H16-H36 WeakPolarHBondContact O-CA 3.42Å; H16-H36 PolarHBondContact O-CD2 3.45Å; H16-E37 PolarHBondContact O-N 2.87Å
17Y93.8Very high76.7Confident26 Ų2684.7 Ų84.710%0.10247%0.473CS..EExtended strand (participates in β ladder)trans-116.5129.6179.4-66-89.4000111L14 V35 H36 V43 I93L14-Y17 PolarHBondContact N-O 2.85Å; L14-Y17 PolarHBondContact O-N 3.44Å; Y17-V35 CarbonylContact C-O 3.58Å; Y17-V35 WeakPolarHBondContact CA-O 3.38Å; Y17-H36 HydrophobicContact CD1-CB 4.01Å; Y17-H36 HydrophobicContact CE1-CB 3.67Å; Y17-H36 AromaticContact CE1-CD2 3.91Å; Y17-H36 AromaticContact CE2-CD2 3.97Å; Y17-H36 AromaticContact CZ-CD2 3.68Å; Y17-V43 HydrophobicContact CD1-CG2 3.45Å; Y17-V43 VanDerWaalsContact CD1-CG2 3.45Å; Y17-V43 HydrophobicContact CE1-CB 4.28Å; Y17-V43 HydrophobicContact CE1-CG1 3.82Å; Y17-V43 HydrophobicContact CE1-CG2 3.44Å; Y17-V43 VanDerWaalsContact CE1-CG2 3.44Å; Y17-V43 HydrophobicContact CG-CG2 4.45Å; Y17-I93 HydrophobicContact CE1-CG2 4.25Å; Y17-I93 HydrophobicContact CE2-CG2 4.43Å
18I95.2Very high78.3Confident66 Ų6677.7 Ų77.734%0.33844%0.44SS..EExtended strand (participates in β ladder)trans-86.3115.4167.8-71.1167.1000107.8V11 G34 V35 E37V11-I18 HydrophobicContact CG1-CB 4.42Å; V11-I18 HydrophobicContact CG1-CG1 4.37Å; V11-I18 HydrophobicContact CG1-CG2 3.56Å; I18-G34 CarbonylContact O-C 3.6Å; I18-G34 WeakPolarHBondContact O-CA 3.34Å; I18-V35 PolarHBondContact N-O 2.82Å; I18-V35 PolarHBondContact O-N 3.33Å; I18-E37 HydrophobicContact CD1-CG 3.79Å; I18-E37 HydrophobicContact CG1-CG 3.79Å
19L95.6Very high80.2Confident15 Ų1570.4 Ų70.48%0.07941%0.405CS..EExtended strand (participates in β ladder)trans-78.9131.7175.9-60.8-177.6000110.5V12 K32 V45 I47V12-L19 HydrophobicContact CB-CD1 4.19Å; V12-L19 HydrophobicContact CG1-CD1 4.06Å; V12-L19 WeakPolarHBondContact O-CB 3.35Å; V12-L19 PolarHBondContact O-N 2.87Å; V12-L19 VanDerWaalsContact O-N 3.13Å; L19-K32 HydrophobicContact CB-CD 4.44Å; L19-V45 HydrophobicContact CD2-CB 3.95Å; L19-V45 HydrophobicContact CD2-CG1 4.03Å; L19-V45 HydrophobicContact CD2-CG2 3.77Å; L19-I47 HydrophobicContact CD1-CD1 4.05Å
20G94.7Very high82.4Confident38 Ų3869.9 Ų69.939%0.39240%0.398SS..EExtended strand (participates in β ladder)trans-110.7-138.2178.400000112.9V33G20-V33 PolarHBondContact N-O 3.13Å
21E95Very high84.7Confident134 Ų13466.1 Ų66.163%0.62637%0.372SS*.EExtended strand (participates in β ladder)trans-64.2157.5-177.970-158.8164.900113.2K32 V33E21-K32 CarbonylContact O-C 3.56Å; E21-K32 VanDerWaalsContact O-CA 3.23Å; E21-K32 WeakPolarHBondContact O-CA 3.16Å; E21-K32 WeakPolarHBondContact O-CB 3.4Å; E21-V33 HydrophobicContact CG-CB 4.48Å; E21-V33 HydrophobicContact CG-CG2 3.9Å; E21-V33 PolarHBondContact O-N 3.38Å
22T95.5Very high86.4Confident65 Ų6563.7 Ų63.740%0.39935%0.354SS..EExtended strand (participates in β ladder)trans-84.1124.2176.1-56.80000108.9G24 V25 K30 V31T22-G24 WeakPolarHBondContact CG2-O 3Å; T22-V25 HydrophobicContact CG2-CG2 4.23Å; T22-K30 HydrophobicContact CG2-CB 4.4Å; T22-V31 CarbonylContact C-O 3.55Å; T22-V31 WeakPolarHBondContact CA-O 3.23Å; T22-V31 WeakPolarHBondContact CG2-O 3.37Å
23L93.1Very high87.8Confident74 Ų7460.4 Ų60.439%0.38733%0.333SS..EExtended strand (participates in β ladder)trans-83.6-33.5175.8-66.5175000111.9V31 V33 A44 Y96L23-V31 HydrophobicContact CB-CB 4.49Å; L23-V31 HydrophobicContact CB-CG1 4.29Å; L23-V31 HydrophobicContact CD1-CG1 4.27Å; L23-V31 PolarHBondContact N-O 2.7Å; L23-V33 HydrophobicContact CD1-CG2 3.81Å; L23-V33 HydrophobicContact CD2-CG2 3.45Å; L23-V33 VanDerWaalsContact CD2-CG2 3.45Å; L23-V33 HydrophobicContact CG-CG2 3.62Å; L23-A44 HydrophobicContact CD1-CB 4.22Å; L23-Y96 HydrophobicContact CD1-CD2 3.91Å; L23-Y96 HydrophobicContact CD1-CE2 3.9Å; L23-Y96 HydrophobicContact CD2-CE2 4.08Å
24G88.4Confident89Confident29 Ų2954.6 Ų54.630%0.29931%0.308SS..EExtended strand (participates in β ladder)trans-169.8162.1-177.700000112.8T22 V31T22-G24 WeakPolarHBondContact CG2-O 3Å; G24-V31 PolarHBondContact N-O 3.14Å; G24-V31 PolarHBondContact O-N 2.85Å
25V86.3Confident89.9Confident113 Ų11356 Ų5669%0.68532%0.317SS*.EExtended strand (participates in β ladder)trans-121.2110.1176.3-175.70000108T22 K30T22-V25 HydrophobicContact CG2-CG2 4.23Å; V25-K30 HydrophobicContact CG2-CG 4.38Å
26G75.4Confident90.4Very high28 Ų2852.8 Ų52.829%0.28930%0.3SS..EExtended strand (participates in β ladder)trans-95.3173.9174.800000112F28 G29G26-F28 PolarHBondContact O-N 2.75Å; G26-G29 CarbonylContact C-O 3.5Å; G26-G29 PolarHBondContact N-O 3.35Å; G26-G29 PolarHBondContact O-N 2.86Å; G26-G29 VanDerWaalsContact O-O 3.04Å
27T72.5Confident90.7Very high102 Ų10250.7 Ų50.763%0.62629%0.29SS*.THydrogen-bonded Turntrans-52.3-42.2179.4-510000112.6K52T27-K52 PolarHBondContact O-NZ 3.45Å
28F73.6Confident90.6Very high25 Ų2555 Ų5511%0.1132%0.319CS..THydrogen-bonded Turntrans-99.6-7.2-171.1-50.3-61.6000114.4G26 L48 V58G26-F28 PolarHBondContact O-N 2.75Å; F28-L48 HydrophobicContact CB-CD2 3.72Å; F28-V58 HydrophobicContact CD1-CG2 3.98Å; F28-V58 HydrophobicContact CE1-CB 4.26Å; F28-V58 HydrophobicContact CE1-CG1 4.01Å; F28-V58 HydrophobicContact CE1-CG2 4.05Å
29G83.7Confident90.5Very high14 Ų1456.1 Ų56.114%0.14433%0.329CS..EExtended strand (participates in β ladder)trans172.8-176.4-16900000114.5G26 I47G26-G29 CarbonylContact C-O 3.5Å; G26-G29 PolarHBondContact N-O 3.35Å; G26-G29 PolarHBondContact O-N 2.86Å; G26-G29 VanDerWaalsContact O-O 3.04Å; G29-I47 WeakPolarHBondContact CA-O 3.31Å
30K93.5Very high90.5Very high113 Ų11362.2 Ų62.249%0.49136%0.357SS..EExtended strand (participates in β ladder)trans-106.2146.1176.7-61.2-176.2-179.4-177.30109.2T22 V25 I47T22-K30 HydrophobicContact CG2-CB 4.4Å; V25-K30 HydrophobicContact CG2-CG 4.38Å; K30-I47 PolarHBondContact N-O 2.91Å; K30-I47 PolarHBondContact O-N 2.78Å
31V95.4Very high90.5Very high30 Ų3065.1 Ų65.118%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-104.6127.6168.3-173.80000107.5T22 L23 G24 A44 V45 K46 M94T22-V31 CarbonylContact C-O 3.55Å; T22-V31 WeakPolarHBondContact CA-O 3.23Å; T22-V31 WeakPolarHBondContact CG2-O 3.37Å; L23-V31 HydrophobicContact CB-CB 4.49Å; L23-V31 HydrophobicContact CB-CG1 4.29Å; L23-V31 HydrophobicContact CD1-CG1 4.27Å; L23-V31 PolarHBondContact N-O 2.7Å; G24-V31 PolarHBondContact N-O 3.14Å; G24-V31 PolarHBondContact O-N 2.85Å; V31-A44 HydrophobicContact CG1-CB 4.16Å; V31-V45 CarbonylContact C-O 3.6Å; V31-V45 WeakPolarHBondContact CA-O 3.46Å; V31-K46 HydrophobicContact CG2-CB 4.19Å; V31-K46 HydrophobicContact CG2-CG 4.09Å; V31-M94 HydrophobicContact CG1-CE 4.44Å
32K96.5Very high90.6Very high52 Ų5263.9 Ų63.923%0.22635%0.352CS..EExtended strand (participates in β ladder)trans-121154.8177.3-68-167166.3-158.70111.2L19 E21 V45 I47L19-K32 HydrophobicContact CB-CD 4.44Å; E21-K32 CarbonylContact O-C 3.56Å; E21-K32 VanDerWaalsContact O-CA 3.23Å; E21-K32 WeakPolarHBondContact O-CA 3.16Å; E21-K32 WeakPolarHBondContact O-CB 3.4Å; K32-V45 PolarHBondContact N-O 2.8Å; K32-V45 PolarHBondContact O-N 2.81Å; K32-I47 HydrophobicContact CD-CD1 3.92Å; K32-I47 HydrophobicContact CG-CD1 4.1Å
33V96.8Very high90.7Very high9 Ų960.8 Ų60.86%0.05533%0.333CS..EExtended strand (participates in β ladder)trans-65.7136.8161.4-178.30000108.2G20 E21 L23 V35 Y96G20-V33 PolarHBondContact N-O 3.13Å; E21-V33 HydrophobicContact CG-CB 4.48Å; E21-V33 HydrophobicContact CG-CG2 3.9Å; E21-V33 PolarHBondContact O-N 3.38Å; L23-V33 HydrophobicContact CD1-CG2 3.81Å; L23-V33 HydrophobicContact CD2-CG2 3.45Å; L23-V33 VanDerWaalsContact CD2-CG2 3.45Å; L23-V33 HydrophobicContact CG-CG2 3.62Å; V33-V35 HydrophobicContact CG1-CG2 4.47Å; V33-Y96 HydrophobicContact CG2-CE2 4.03Å
34G96.8Very high90.9Very high0 Ų057.7 Ų57.70%032%0.319CS..EExtended strand (participates in β ladder)trans-120.4145.8164.900000109.8I18 K42 V43I18-G34 CarbonylContact O-C 3.6Å; I18-G34 WeakPolarHBondContact O-CA 3.34Å; G34-K42 CarbonylContact O-C 3.57Å; G34-K42 WeakPolarHBondContact O-CA 3.45Å; G34-V43 PolarHBondContact N-O 2.9Å; G34-V43 WeakPolarHBondContact O-CG2 3.48Å; G34-V43 PolarHBondContact O-N 3.08Å
35V96.8Very high91.3Very high40 Ų4056.3 Ų56.324%0.24230%0.304CS..EExtended strand (participates in β ladder)trans-120.3122.4172.9-176.80000108.3Y17 I18 V33 E37 H40 K42Y17-V35 CarbonylContact C-O 3.58Å; Y17-V35 WeakPolarHBondContact CA-O 3.38Å; I18-V35 PolarHBondContact N-O 2.82Å; I18-V35 PolarHBondContact O-N 3.33Å; V33-V35 HydrophobicContact CG1-CG2 4.47Å; V35-E37 PolarHBondContact O-N 2.87Å; V35-H40 HydrophobicContact CG1-CB 4.48Å; V35-K42 HydrophobicContact CG2-CG 4.26Å
36H93.3Very high91.7Very high36 Ų3651.5 Ų51.517%0.16727%0.274CS..EExtended strand (participates in β ladder)trans-66125.5174.1-171.4-108.4000109.6H16 Y17 V38 T39 H40 H41H16-H36 CarbonylContact O-C 3.59Å; H16-H36 WeakPolarHBondContact O-CA 3.42Å; H16-H36 PolarHBondContact O-CD2 3.45Å; Y17-H36 HydrophobicContact CD1-CB 4.01Å; Y17-H36 HydrophobicContact CE1-CB 3.67Å; Y17-H36 AromaticContact CE1-CD2 3.91Å; Y17-H36 AromaticContact CE2-CD2 3.97Å; Y17-H36 AromaticContact CZ-CD2 3.68Å; H36-V38 VanDerWaalsContact C-N 3.34Å; H36-V38 PolarHBondContact O-N 2.84Å; H36-T39 WeakPolarHBondContact CB-OG1 3.23Å; H36-T39 PolarHBondContact ND1-N 3.46Å; H36-T39 PolarHBondContact ND1-OG1 2.79Å; H36-H40 WeakPolarHBondContact O-CA 3.31Å; H36-H40 PolarHBondContact O-N 2.78Å; H36-H41 HydrophobicContact CB-CB 4.35Å; H36-H41 PolarHBondContact N-O 2.79Å
37E92.3Very high92.6Very high56 Ų5651.7 Ų51.726%0.26227%0.268SS..THydrogen-bonded Turntrans-62.1-40-169-73.1-178.812800113.3K13 H16 I18 V35 H40K13-E37 WeakPolarHBondContact CD-OE1 3.1Å; K13-E37 VanDerWaalsContact CE-CD 3.43Å; K13-E37 WeakPolarHBondContact CE-OE1 3.48Å; K13-E37 WeakPolarHBondContact CE-OE2 3.39Å; K13-E37 IonicContact NZ-OE1 2.83Å; K13-E37 PolarHBondContact NZ-OE1 2.67Å; K13-E37 IonicContact NZ-OE2 3.67Å; K13-E37 PolarHBondContact NZ-OE2 3.2Å; H16-E37 PolarHBondContact O-N 2.87Å; I18-E37 HydrophobicContact CD1-CG 3.79Å; I18-E37 HydrophobicContact CG1-CG 3.79Å; V35-E37 PolarHBondContact O-N 2.87Å; E37-H40 PolarHBondContact O-CE1 3.09Å
38V91.6Very high93.7Very high116 Ų11646.8 Ų46.870%0.70324%0.238SC*.THydrogen-bonded Turntrans-84.3-41-173.5-179.30000111.8H36H36-V38 VanDerWaalsContact C-N 3.34Å; H36-V38 PolarHBondContact O-N 2.84Å
39T94.4Very high94.6Very high89 Ų8948.2 Ų48.255%0.54625%0.247SC..THydrogen-bonded Turntrans-99-6.9-173.162.20000112.9H36 H41H36-T39 WeakPolarHBondContact CB-OG1 3.23Å; H36-T39 PolarHBondContact ND1-N 3.46Å; H36-T39 PolarHBondContact ND1-OG1 2.79Å; T39-H41 PolarHBondContact O-N 3.1Å; T39-H41 WeakPolarHBondContact OG1-CB 3.45Å; T39-H41 PolarHBondContact OG1-N 3.41Å
40H94.2Very high95Very high143 Ų14351.3 Ų51.366%0.66226%0.255SS*.  trans53.718.1-170.8-59.4-59.9000114.5V35 H36 E37 K42V35-H40 HydrophobicContact CG1-CB 4.48Å; H36-H40 WeakPolarHBondContact O-CA 3.31Å; H36-H40 PolarHBondContact O-N 2.78Å; E37-H40 PolarHBondContact O-CE1 3.09Å; H40-K42 PolarHBondContact O-N 2.91Å
41H95Very high94.9Very high100 Ų10053.6 Ų53.646%0.46327%0.267SS..  trans-72.6128-179-170.269.3000110.5H36 T39H36-H41 HydrophobicContact CB-CB 4.35Å; H36-H41 PolarHBondContact N-O 2.79Å; T39-H41 PolarHBondContact O-N 3.1Å; T39-H41 WeakPolarHBondContact OG1-CB 3.45Å; T39-H41 PolarHBondContact OG1-N 3.41Å
42K97.2Very high94.7Very high107 Ų10755.6 Ų55.647%0.46527%0.273SS..EExtended strand (participates in β ladder)trans-79.8138.6177.1-72.4-173.3178.1-175.60111G34 V35 H40 Y96G34-K42 CarbonylContact O-C 3.57Å; G34-K42 WeakPolarHBondContact O-CA 3.45Å; V35-K42 HydrophobicContact CG2-CG 4.26Å; H40-K42 PolarHBondContact O-N 2.91Å; K42-Y96 HydrophobicContact CB-CD1 3.77Å; K42-Y96 HydrophobicContact CB-CE1 4.4Å; K42-Y96 HydrophobicContact CB-CG 4.13Å; K42-Y96 HydrophobicContact CD-CD1 4.13Å; K42-Y96 HydrophobicContact CD-CE1 3.9Å
43V97.5Very high94.5Very high0 Ų053.6 Ų53.60%027%0.265CS..EExtended strand (participates in β ladder)trans-135.8158.2176.2-640000110.1Y17 G34 V45 Y81 I93 M94Y17-V43 HydrophobicContact CD1-CG2 3.45Å; Y17-V43 VanDerWaalsContact CD1-CG2 3.45Å; Y17-V43 HydrophobicContact CE1-CB 4.28Å; Y17-V43 HydrophobicContact CE1-CG1 3.82Å; Y17-V43 HydrophobicContact CE1-CG2 3.44Å; Y17-V43 VanDerWaalsContact CE1-CG2 3.44Å; Y17-V43 HydrophobicContact CG-CG2 4.45Å; G34-V43 PolarHBondContact N-O 2.9Å; G34-V43 WeakPolarHBondContact O-CG2 3.48Å; G34-V43 PolarHBondContact O-N 3.08Å; V43-V45 HydrophobicContact CG2-CG2 3.9Å; V43-Y81 HydrophobicContact CG1-CD2 4.2Å; V43-Y81 HydrophobicContact CG1-CE2 4.22Å; V43-I93 HydrophobicContact CB-CG2 3.92Å; V43-I93 HydrophobicContact CG1-CG2 3.96Å; V43-I93 HydrophobicContact CG2-CG2 3.95Å; V43-M94 WeakPolarHBondContact CA-O 3.41Å; V43-M94 WeakPolarHBondContact CB-O 3.27Å
44A97.3Very high94.2Very high9 Ų960.9 Ų60.97%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-95.9131.5166.700000108.9L23 V31 M94L23-A44 HydrophobicContact CD1-CB 4.22Å; V31-A44 HydrophobicContact CG1-CB 4.16Å; A44-M94 HydrophobicContact CB-CB 4.37Å; A44-M94 HydrophobicContact CB-CE 4.25Å; A44-M94 PolarHBondContact N-O 3.33Å; A44-M94 PolarHBondContact O-N 2.84Å
45V96.6Very high94Very high0 Ų070 Ų700%033%0.33CS..EExtended strand (participates in β ladder)trans-116.8106.1-177.5-175.20000109.5L14 L19 V31 K32 V43 I47 F91 M92 I93L14-V45 HydrophobicContact CD2-CG1 4.39Å; L19-V45 HydrophobicContact CD2-CB 3.95Å; L19-V45 HydrophobicContact CD2-CG1 4.03Å; L19-V45 HydrophobicContact CD2-CG2 3.77Å; V31-V45 CarbonylContact C-O 3.6Å; V31-V45 WeakPolarHBondContact CA-O 3.46Å; K32-V45 PolarHBondContact N-O 2.8Å; K32-V45 PolarHBondContact O-N 2.81Å; V43-V45 HydrophobicContact CG2-CG2 3.9Å; V45-I47 HydrophobicContact CG1-CG1 4.01Å; V45-F91 HydrophobicContact CG1-CB 4.22Å; V45-F91 HydrophobicContact CG1-CD1 3.99Å; V45-M92 WeakPolarHBondContact CA-O 3.42Å; V45-I93 HydrophobicContact CB-CD1 4.38Å; V45-I93 HydrophobicContact CG1-CD1 3.89Å; V45-I93 HydrophobicContact CG2-CD1 3.8Å
46K95.3Very high93.6Very high13 Ų1372.1 Ų72.16%0.05734%0.339CS..EExtended strand (participates in β ladder)trans-83.7116.4171.6-169.9174.3-169.8173.70108.5V31 L48 E65 F91 M92 M94 D158V31-K46 HydrophobicContact CG2-CB 4.19Å; V31-K46 HydrophobicContact CG2-CG 4.09Å; K46-L48 HydrophobicContact CD-CD2 4.47Å; K46-L48 HydrophobicContact CG-CD2 4.06Å; K46-L48 HydrophobicContact CG-CG 4.36Å; K46-E65 IonicContact NZ-OE1 2.86Å; K46-E65 PolarHBondContact NZ-OE1 3.35Å; K46-E65 IonicContact NZ-OE2 3.68Å; K46-F91 WeakPolarHBondContact O-CA 3.14Å; K46-M92 HydrophobicContact CB-CB 4.19Å; K46-M92 HydrophobicContact CD-SD 4.16Å; K46-M92 PolarHBondContact N-O 3.34Å; K46-M92 PolarHBondContact O-N 2.93Å; K46-M94 HydrophobicContact CB-CE 3.66Å; K46-M94 HydrophobicContact CB-SD 4.37Å; K46-D158 IonicContact NZ-OD1 2.75Å; K46-D158 PolarHBondContact NZ-OD1 3.03Å
47I95.2Very high93.5Very high31 Ų3177 Ų7716%0.15937%0.367CS..EExtended strand (participates in β ladder)trans-103.5116.4-175.2-50.7172.2000108.6L19 G29 K30 K32 V45 F91L19-I47 HydrophobicContact CD1-CD1 4.05Å; G29-I47 WeakPolarHBondContact CA-O 3.31Å; K30-I47 PolarHBondContact N-O 2.91Å; K30-I47 PolarHBondContact O-N 2.78Å; K32-I47 HydrophobicContact CD-CD1 3.92Å; K32-I47 HydrophobicContact CG-CD1 4.1Å; V45-I47 HydrophobicContact CG1-CG1 4.01Å; I47-F91 HydrophobicContact CB-CD1 4.42Å; I47-F91 HydrophobicContact CB-CE1 4.46Å; I47-F91 HydrophobicContact CD1-CE1 4.43Å; I47-F91 HydrophobicContact CG1-CD1 3.93Å; I47-F91 HydrophobicContact CG1-CE1 4.08Å; I47-F91 HydrophobicContact CG2-CD1 4.11Å; I47-F91 HydrophobicContact CG2-CE1 3.74Å; I47-F91 HydrophobicContact CG2-CZ 4.39Å
48L94Very high93.3Very high0 Ų074.9 Ų74.90%036%0.358CS..EExtended strand (participates in β ladder)trans-118.5116.2-174.9-54.6170.6000109.9F28 K46 I53 I62 D89 I90 M92F28-L48 HydrophobicContact CB-CD2 3.72Å; K46-L48 HydrophobicContact CD-CD2 4.47Å; K46-L48 HydrophobicContact CG-CD2 4.06Å; K46-L48 HydrophobicContact CG-CG 4.36Å; L48-I53 HydrophobicContact CB-CD1 3.89Å; L48-I62 HydrophobicContact CD1-CD1 4.26Å; L48-I62 HydrophobicContact CD1-CG1 4.46Å; L48-I62 HydrophobicContact CD1-CG2 3.74Å; L48-D89 CarbonylContact O-C 3.45Å; L48-D89 WeakPolarHBondContact O-CA 3.41Å; L48-I90 HydrophobicContact CB-CB 4.3Å; L48-I90 PolarHBondContact N-O 3.23Å; L48-I90 PolarHBondContact O-N 3.05Å; L48-M92 HydrophobicContact CD1-CG 4.47Å; L48-M92 HydrophobicContact CD1-SD 3.75Å
49N93Very high93.3Very high55 Ų5573 Ų7329%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-81.8124.9-175.6179.7-92.2000112.6Q51 K52 I53 D89N49-Q51 VanDerWaalsContact C-N 3.34Å; N49-Q51 PolarHBondContact O-N 2.92Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.49Å; N49-Q51 PolarHBondContact OD1-N 2.84Å; N49-Q51 VanDerWaalsContact OD1-N 3.11Å; N49-K52 HydrophobicContact CB-CB 4.14Å; N49-K52 PolarHBondContact O-N 2.75Å; N49-K52 VanDerWaalsContact O-N 3.16Å; N49-K52 PolarHBondContact OD1-N 2.89Å; N49-I53 WeakPolarHBondContact O-CG1 3.45Å; N49-I53 PolarHBondContact O-N 3.36Å; N49-D89 VanDerWaalsContact CA-OD1 3.29Å; N49-D89 WeakPolarHBondContact CA-OD1 3.31Å; N49-D89 PolarHBondContact ND2-OD1 3.13Å
50R92.5Very high93.1Very high79 Ų7971.1 Ų71.130%0.29835%0.345SS..Hα-helixtrans-63.4-35.3-173.7-69.5175.3165.6-77.70.8113.9I53 K54 S85 T86 P87 S88 I90R50-I53 PolarHBondContact O-N 2.97Å; R50-K54 WeakPolarHBondContact O-CG 3.26Å; R50-K54 PolarHBondContact O-N 2.86Å; R50-S85 PolarHBondContact NH2-OG 3Å; R50-T86 WeakPolarHBondContact CD-O 3.38Å; R50-T86 PolarHBondContact NE-O 3.28Å; R50-P87 WeakPolarHBondContact CD-O 3.38Å; R50-S88 VanDerWaalsContact CB-O 3.23Å; R50-S88 WeakPolarHBondContact CB-O 3.34Å; R50-S88 WeakPolarHBondContact CG-O 3.37Å; R50-S88 PolarHBondContact N-O 3.48Å; R50-I90 HydrophobicContact CG-CG1 4.23Å
51Q92Very high92.8Very high160 Ų16068.6 Ų68.675%0.74833%0.332SS*.Hα-helixtrans-67.1-44.6176.2-67.6-175.1-13.200110.9N49 I53 K54 R55N49-Q51 VanDerWaalsContact C-N 3.34Å; N49-Q51 PolarHBondContact O-N 2.92Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.49Å; N49-Q51 PolarHBondContact OD1-N 2.84Å; N49-Q51 VanDerWaalsContact OD1-N 3.11Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.27Å; Q51-K54 PolarHBondContact O-N 2.8Å; Q51-R55 WeakPolarHBondContact O-CB 3.33Å; Q51-R55 PolarHBondContact O-N 3.14Å
52K91.1Very high92.7Very high72 Ų7264 Ų6431%0.31331%0.311SS..Hα-helixtrans-60.3-42.6175.9-167.2-178.7-175.9-170.30111.5T27 N49 R55 L56T27-K52 PolarHBondContact O-NZ 3.45Å; N49-K52 HydrophobicContact CB-CB 4.14Å; N49-K52 PolarHBondContact O-N 2.75Å; N49-K52 VanDerWaalsContact O-N 3.16Å; N49-K52 PolarHBondContact OD1-N 2.89Å; K52-R55 PolarHBondContact O-N 3.31Å; K52-L56 HydrophobicContact CG-CD1 4Å; K52-L56 WeakPolarHBondContact O-CB 3.39Å; K52-L56 WeakPolarHBondContact O-CG 3.45Å; K52-L56 PolarHBondContact O-N 3.45Å; K52-L56 VanDerWaalsContact O-N 3.1Å
53I91.7Very high92.4Very high10 Ų1067 Ų675%0.05132%0.319CS..Hα-helixtrans-61.1-49.3177.7-64.1168.1000111.4L48 N49 R50 Q51 L56 D57 V58 V59 I62 I90L48-I53 HydrophobicContact CB-CD1 3.89Å; N49-I53 WeakPolarHBondContact O-CG1 3.45Å; N49-I53 PolarHBondContact O-N 3.36Å; R50-I53 PolarHBondContact O-N 2.97Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.27Å; I53-L56 PolarHBondContact O-N 2.85Å; I53-D57 PolarHBondContact O-N 3.27Å; I53-V58 HydrophobicContact CB-CG2 4.48Å; I53-V58 HydrophobicContact CG2-CG2 4.12Å; I53-V58 PolarHBondContact O-N 2.51Å; I53-V59 HydrophobicContact CG2-CB 4.25Å; I53-V59 HydrophobicContact CG2-CG2 3.59Å; I53-I62 HydrophobicContact CB-CD1 4.23Å; I53-I62 HydrophobicContact CD1-CD1 3.48Å; I53-I62 VanDerWaalsContact CD1-CD1 3.48Å; I53-I62 HydrophobicContact CG1-CD1 3.38Å; I53-I62 HydrophobicContact CG2-CD1 3.85Å; I53-I90 HydrophobicContact CD1-CD1 4.17Å
54K91.1Very high92.1Very high163 Ų16369.5 Ų69.571%0.70933%0.328SS*.Hα-helixtrans-61.5-45.6178.8-78.6-177.4177.1-174.90111.3R50 Q51 L56 D57R50-K54 WeakPolarHBondContact O-CG 3.26Å; R50-K54 PolarHBondContact O-N 2.86Å; Q51-K54 PolarHBondContact O-N 2.8Å; K54-L56 VanDerWaalsContact C-N 3.29Å; K54-L56 PolarHBondContact O-N 3.31Å; K54-D57 PolarHBondContact O-N 3.5Å; K54-D57 VanDerWaalsContact O-N 3.17Å
55R91.8Very high91.9Very high192 Ų19269.2 Ų69.273%0.72533%0.326SS*.Hα-helixtrans-62-35.4-179-173.6-178.566-175.61.6113.1Q51 K52Q51-R55 WeakPolarHBondContact O-CB 3.33Å; Q51-R55 PolarHBondContact O-N 3.14Å; K52-R55 PolarHBondContact O-N 3.31Å
56L89Confident91.9Very high83 Ų8370.1 Ų70.144%0.43533%0.33SS..THydrogen-bonded Turntrans-89.3-1.5179.7-65.6175.5000113.5K52 I53 K54 V58K52-L56 HydrophobicContact CG-CD1 4Å; K52-L56 WeakPolarHBondContact O-CB 3.39Å; K52-L56 WeakPolarHBondContact O-CG 3.45Å; K52-L56 PolarHBondContact O-N 3.45Å; K52-L56 VanDerWaalsContact O-N 3.1Å; I53-L56 PolarHBondContact O-N 2.85Å; K54-L56 VanDerWaalsContact C-N 3.29Å; K54-L56 PolarHBondContact O-N 3.31Å; L56-V58 VanDerWaalsContact C-N 3.28Å; L56-V58 HydrophobicContact CB-CG1 4.09Å; L56-V58 HydrophobicContact CB-CG2 4.09Å; L56-V58 WeakPolarHBondContact O-CG1 3.42Å; L56-V58 PolarHBondContact O-N 3.34Å
57D90.3Very high91.8Very high140 Ų14073.8 Ų73.875%0.74935%0.348SS*.THydrogen-bonded Turntrans50.344.1-174.7-163.829.4000114.1I53 K54I53-D57 PolarHBondContact O-N 3.27Å; K54-D57 PolarHBondContact O-N 3.5Å; K54-D57 VanDerWaalsContact O-N 3.17Å
58V89.4Confident91.6Very high11 Ų1172.4 Ų72.47%0.06734%0.341CS..  trans-108.615.9-178.5-63.20000113.6F28 I53 L56 G60 K61 I62F28-V58 HydrophobicContact CD1-CG2 3.98Å; F28-V58 HydrophobicContact CE1-CB 4.26Å; F28-V58 HydrophobicContact CE1-CG1 4.01Å; F28-V58 HydrophobicContact CE1-CG2 4.05Å; I53-V58 HydrophobicContact CB-CG2 4.48Å; I53-V58 HydrophobicContact CG2-CG2 4.12Å; I53-V58 PolarHBondContact O-N 2.51Å; L56-V58 VanDerWaalsContact C-N 3.28Å; L56-V58 HydrophobicContact CB-CG1 4.09Å; L56-V58 HydrophobicContact CB-CG2 4.09Å; L56-V58 WeakPolarHBondContact O-CG1 3.42Å; L56-V58 PolarHBondContact O-N 3.34Å; V58-G60 VanDerWaalsContact C-N 3.28Å; V58-G60 PolarHBondContact O-N 3.3Å; V58-K61 HydrophobicContact CB-CB 4.45Å; V58-K61 HydrophobicContact CB-CD 4.42Å; V58-K61 HydrophobicContact CG1-CD 4.18Å; V58-K61 PolarHBondContact O-N 2.87Å; V58-K61 VanDerWaalsContact O-N 3.13Å; V58-I62 HydrophobicContact CG2-CD1 4.14Å; V58-I62 PolarHBondContact O-N 2.84Å; V58-I62 VanDerWaalsContact O-N 3.11Å
59V91.1Very high91.6Very high76 Ų7672.9 Ų72.946%0.46134%0.343SS..Hα-helixtrans-55.1-45.5-179.9178.90000111I53 K61 I62 R63I53-V59 HydrophobicContact CG2-CB 4.25Å; I53-V59 HydrophobicContact CG2-CG2 3.59Å; V59-K61 PolarHBondContact O-N 3.3Å; V59-I62 PolarHBondContact O-N 3.11Å; V59-R63 WeakPolarHBondContact O-CB 3.46Å; V59-R63 PolarHBondContact O-N 2.83Å
60G90.2Very high91.6Very high50 Ų5078.2 Ų78.252%0.51536%0.359SS..Hα-helixtrans-62.3-40.7178.900000113V58 R63 R64V58-G60 VanDerWaalsContact C-N 3.28Å; V58-G60 PolarHBondContact O-N 3.3Å; G60-R63 PolarHBondContact O-N 2.94Å; G60-R64 WeakPolarHBondContact O-CB 3.46Å; G60-R64 PolarHBondContact O-N 3.09Å
61K88.3Confident91.4Very high89 Ų8979.7 Ų79.739%0.38737%0.372SS..Hα-helixtrans-63.3-45.4178.4-65.2-176.8-179.2175.50111.4V58 V59 R64 E65V58-K61 HydrophobicContact CB-CB 4.45Å; V58-K61 HydrophobicContact CB-CD 4.42Å; V58-K61 HydrophobicContact CG1-CD 4.18Å; V58-K61 PolarHBondContact O-N 2.87Å; V58-K61 VanDerWaalsContact O-N 3.13Å; V59-K61 PolarHBondContact O-N 3.3Å; K61-R64 PolarHBondContact O-N 2.94Å; K61-E65 PolarHBondContact O-N 2.92Å
62I92Very high91.6Very high4 Ų472.3 Ų72.32%0.02134%0.338CS..Hα-helixtrans-68.6-41179.5-69.3171.2000111.4L48 I53 V58 V59 R64 E65 I66L48-I62 HydrophobicContact CD1-CD1 4.26Å; L48-I62 HydrophobicContact CD1-CG1 4.46Å; L48-I62 HydrophobicContact CD1-CG2 3.74Å; I53-I62 HydrophobicContact CB-CD1 4.23Å; I53-I62 HydrophobicContact CD1-CD1 3.48Å; I53-I62 VanDerWaalsContact CD1-CD1 3.48Å; I53-I62 HydrophobicContact CG1-CD1 3.38Å; I53-I62 HydrophobicContact CG2-CD1 3.85Å; V58-I62 HydrophobicContact CG2-CD1 4.14Å; V58-I62 PolarHBondContact O-N 2.84Å; V58-I62 VanDerWaalsContact O-N 3.11Å; V59-I62 PolarHBondContact O-N 3.11Å; I62-R64 VanDerWaalsContact C-N 3.28Å; I62-R64 PolarHBondContact O-N 2.79Å; I62-E65 PolarHBondContact O-N 2.79Å; I62-I66 HydrophobicContact CG2-CD1 3.94Å; I62-I66 WeakPolarHBondContact O-CG1 3.29Å; I62-I66 PolarHBondContact O-N 3.18Å
63R92.2Very high91.9Very high170 Ų17072.8 Ų72.864%0.64235%0.349SS*.Hα-helixtrans-59.2-43.4175.2-175.4177.3178.71710.7110.9V59 G60 I66 Q67V59-R63 WeakPolarHBondContact O-CB 3.46Å; V59-R63 PolarHBondContact O-N 2.83Å; G60-R63 PolarHBondContact O-N 2.94Å; R63-I66 PolarHBondContact O-N 3.01Å; R63-Q67 WeakPolarHBondContact O-CB 3.27Å; R63-Q67 VanDerWaalsContact O-CG 3.31Å; R63-Q67 WeakPolarHBondContact O-CG 3.39Å; R63-Q67 PolarHBondContact O-N 3.49Å
64R91.3Very high92.2Very high52 Ų5273.7 Ų73.720%0.19635%0.353CS..Hα-helixtrans-65.1-45.3177-176.8171.564.9-135.8-4.4112.3G60 K61 I62 I66 Q67 N68 S162 N163G60-R64 WeakPolarHBondContact O-CB 3.46Å; G60-R64 PolarHBondContact O-N 3.09Å; K61-R64 PolarHBondContact O-N 2.94Å; I62-R64 VanDerWaalsContact C-N 3.28Å; I62-R64 PolarHBondContact O-N 2.79Å; R64-I66 VanDerWaalsContact C-N 3.31Å; R64-I66 PolarHBondContact O-N 3.21Å; R64-Q67 PolarHBondContact O-N 2.87Å; R64-Q67 VanDerWaalsContact O-N 3.15Å; R64-N68 WeakPolarHBondContact O-CB 3.38Å; R64-N68 VanDerWaalsContact O-CG 3.24Å; R64-N68 PolarHBondContact O-N 2.84Å; R64-N68 PolarHBondContact O-OD1 3.34Å; R64-S162 PolarHBondContact NE-O 3.47Å; R64-S162 PolarHBondContact NH2-O 2.9Å; R64-N163 WeakPolarHBondContact CD-OD1 3.32Å; R64-N163 PolarHBondContact NE-OD1 2.99Å; R64-N163 VanDerWaalsContact NE-OD1 3.16Å; R64-N163 PolarHBondContact NH1-OD1 3.21Å; R64-N163 VanDerWaalsContact NH1-OD1 3.09Å
65E93.1Very high92.6Very high3 Ų369.8 Ų69.81%0.01435%0.345CS..Hα-helixtrans-54.2-48.8174.9179.7-179-176.700111K46 K61 I62 Q67 N68 L69 M92 F159 G160K46-E65 IonicContact NZ-OE1 2.86Å; K46-E65 PolarHBondContact NZ-OE1 3.35Å; K46-E65 IonicContact NZ-OE2 3.68Å; K61-E65 PolarHBondContact O-N 2.92Å; I62-E65 PolarHBondContact O-N 2.79Å; E65-Q67 PolarHBondContact O-N 2.83Å; E65-N68 PolarHBondContact O-N 2.9Å; E65-L69 HydrophobicContact CG-CD1 3.93Å; E65-L69 WeakPolarHBondContact O-CB 2.96Å; E65-L69 WeakPolarHBondContact O-CG 3.21Å; E65-L69 PolarHBondContact O-N 3.46Å; E65-M92 HydrophobicContact CG-CE 4.28Å; E65-F159 HydrophobicContact CG-CB 4.1Å; E65-G160 WeakPolarHBondContact OE2-CA 3.14Å
66I94.7Very high92.9Very high19 Ų1962 Ų6210%0.09732%0.316CS..Hα-helixtrans-62.4-43177.4-68.9166.9000111.6I62 R63 R64 R70 L80 V83 I90 M92I62-I66 HydrophobicContact CG2-CD1 3.94Å; I62-I66 WeakPolarHBondContact O-CG1 3.29Å; I62-I66 PolarHBondContact O-N 3.18Å; R63-I66 PolarHBondContact O-N 3.01Å; R64-I66 VanDerWaalsContact C-N 3.31Å; R64-I66 PolarHBondContact O-N 3.21Å; I66-R70 HydrophobicContact CG2-CG 4.48Å; I66-R70 WeakPolarHBondContact O-CB 3.39Å; I66-R70 VanDerWaalsContact O-CG 3.26Å; I66-R70 WeakPolarHBondContact O-CG 3.32Å; I66-R70 PolarHBondContact O-N 3.3Å; I66-L80 HydrophobicContact CG2-CD2 4.43Å; I66-V83 HydrophobicContact CD1-CG1 4.27Å; I66-V83 HydrophobicContact CD1-CG2 4.47Å; I66-V83 HydrophobicContact CG1-CG2 4.37Å; I66-V83 HydrophobicContact CG2-CG2 3.86Å; I66-I90 HydrophobicContact CD1-CG2 4.36Å; I66-M92 HydrophobicContact CG1-CE 4.12Å; I66-M92 HydrophobicContact CG1-CG 4.33Å; I66-M92 HydrophobicContact CG1-SD 4.03Å
67Q93.4Very high93.3Very high91 Ų9158.2 Ų58.243%0.42530%0.296SS..Hα-helixtrans-63.1-47.4179.1-78.4174-38.700111.8R63 R64 E65 R70R63-Q67 WeakPolarHBondContact O-CB 3.27Å; R63-Q67 VanDerWaalsContact O-CG 3.31Å; R63-Q67 WeakPolarHBondContact O-CG 3.39Å; R63-Q67 PolarHBondContact O-N 3.49Å; R64-Q67 PolarHBondContact O-N 2.87Å; R64-Q67 VanDerWaalsContact O-N 3.15Å; E65-Q67 PolarHBondContact O-N 2.83Å; Q67-R70 PolarHBondContact O-N 3.19Å
68N91Very high93.7Very high2 Ų252 Ų521%0.01126%0.263CS..Hα-helixtrans-60.5-50.3178.3-68-7.7000110.7R64 E65 R70 L71 V136 S162 I164R64-N68 WeakPolarHBondContact O-CB 3.38Å; R64-N68 VanDerWaalsContact O-CG 3.24Å; R64-N68 PolarHBondContact O-N 2.84Å; R64-N68 PolarHBondContact O-OD1 3.34Å; E65-N68 PolarHBondContact O-N 2.9Å; N68-R70 VanDerWaalsContact C-N 3.29Å; N68-R70 PolarHBondContact O-N 3.05Å; N68-L71 WeakPolarHBondContact O-CB 3.24Å; N68-L71 PolarHBondContact O-N 3.26Å; N68-L71 VanDerWaalsContact O-N 3.12Å; N68-V136 HydrophobicContact CB-CG1 4.29Å; N68-V136 HydrophobicContact CB-CG2 4.19Å; N68-S162 PolarHBondContact ND2-OG 3.27Å; N68-I164 WeakPolarHBondContact OD1-CG1 3.38Å
69L94.3Very high94.1Very high9 Ų956.4 Ų56.45%0.04728%0.279CS..Hα-helixtrans-64-30.7-178.3-76.5172.9000113.6E65 L71 F72 L80 M92 F159E65-L69 HydrophobicContact CG-CD1 3.93Å; E65-L69 WeakPolarHBondContact O-CB 2.96Å; E65-L69 WeakPolarHBondContact O-CG 3.21Å; E65-L69 PolarHBondContact O-N 3.46Å; L69-L71 PolarHBondContact O-N 3.24Å; L69-F72 HydrophobicContact CD2-CD2 4.3Å; L69-F72 PolarHBondContact O-N 2.82Å; L69-L80 HydrophobicContact CB-CB 3.91Å; L69-L80 HydrophobicContact CB-CD2 3.78Å; L69-L80 HydrophobicContact CB-CG 4.49Å; L69-M92 HydrophobicContact CD1-CE 3.52Å; L69-F159 HydrophobicContact CD1-CB 4.49Å; L69-F159 HydrophobicContact CD2-CB 4.3Å; L69-F159 HydrophobicContact CD2-CD2 3.59Å; L69-F159 HydrophobicContact CD2-CE2 4.06Å; L69-F159 HydrophobicContact CD2-CG 3.97Å; L69-F159 HydrophobicContact CG-CB 4.25Å; L69-F159 HydrophobicContact CG-CD2 4.43Å; L69-F159 HydrophobicContact CG-CG 4.4Å
70R94Very high94.4Very high167 Ų16753.5 Ų53.563%0.6326%0.26SS*.Hα-helixtrans-64.1-26.6176.1-82177.3178.1-167.6-1.6113.1I66 Q67 N68 F72 L80I66-R70 HydrophobicContact CG2-CG 4.48Å; I66-R70 WeakPolarHBondContact O-CB 3.39Å; I66-R70 VanDerWaalsContact O-CG 3.26Å; I66-R70 WeakPolarHBondContact O-CG 3.32Å; I66-R70 PolarHBondContact O-N 3.3Å; Q67-R70 PolarHBondContact O-N 3.19Å; N68-R70 VanDerWaalsContact C-N 3.29Å; N68-R70 PolarHBondContact O-N 3.05Å; R70-F72 VanDerWaalsContact C-N 3.35Å; R70-L80 HydrophobicContact CG-CD2 3.96Å
71L88.2Confident94.6Very high110 Ų11055.8 Ų55.858%0.57625%0.254SS*.Hα-helixtrans-81.4-18.9-180-60.7173.3000112.2N68 L69N68-L71 WeakPolarHBondContact O-CB 3.24Å; N68-L71 PolarHBondContact O-N 3.26Å; N68-L71 VanDerWaalsContact O-N 3.12Å; L69-L71 PolarHBondContact O-N 3.24Å
72F96Very high94.9Very high5 Ų555.3 Ų55.32%0.02225%0.254CS..  trans-86.5124-169.4-63.9-19.8000113.4L69 R70 I77 R79 Y130 C131 H134 V136 F159L69-F72 HydrophobicContact CD2-CD2 4.3Å; L69-F72 PolarHBondContact O-N 2.82Å; R70-F72 VanDerWaalsContact C-N 3.35Å; F72-I77 HydrophobicContact CB-CG2 4.34Å; F72-I77 HydrophobicContact CD2-CD1 4.26Å; F72-I77 HydrophobicContact CD2-CG2 3.99Å; F72-I77 HydrophobicContact CG-CD1 4.37Å; F72-R79 PolarHBondContact O-NH1 2.9Å; F72-Y130 HydrophobicContact CB-CE1 4.3Å; F72-Y130 HydrophobicContact CD1-CD1 4.28Å; F72-Y130 AromaticContact CD1-CE1 3.77Å; F72-Y130 HydrophobicContact CD1-CE1 3.77Å; F72-Y130 HydrophobicContact CE1-CE1 4.49Å; F72-Y130 HydrophobicContact CG-CE1 4.29Å; F72-C131 HydrophobicContact CZ-CB 4.43Å; F72-H134 HydrophobicContact CE1-CB 3.85Å; F72-V136 HydrophobicContact CE1-CB 4.44Å; F72-V136 HydrophobicContact CE1-CG2 4.24Å; F72-V136 HydrophobicContact CE2-CG1 4.39Å; F72-V136 HydrophobicContact CZ-CB 3.73Å; F72-V136 HydrophobicContact CZ-CG1 3.84Å; F72-V136 HydrophobicContact CZ-CG2 3.81Å; F72-F159 HydrophobicContact CD2-CE1 4.22Å; F72-F159 HydrophobicContact CD2-CZ 4.23Å; F72-F159 AromaticContact CE2-CD1 3.92Å; F72-F159 HydrophobicContact CE2-CD1 3.92Å; F72-F159 AromaticContact CE2-CE1 3.43Å; F72-F159 HydrophobicContact CE2-CE1 3.43Å; F72-F159 VanDerWaalsContact CE2-CE1 3.43Å; F72-F159 AromaticContact CE2-CZ 3.88Å; F72-F159 HydrophobicContact CE2-CZ 3.88Å; F72-F159 HydrophobicContact CZ-CE1 4.31Å
73C96.9Very high95Very high82 Ų8257 Ų5755%0.55426%0.264SS*.  trans-132.785.8167.4-165.10000108.6R79 Y130C73-R79 VanDerWaalsContact CB-NH1 3.32Å; C73-R79 PolarHBondContact SG-NH1 3.43Å; C73-Y130 PolarHBondContact N-OH 2.83Å; C73-Y130 PolarHBondContact O-OH 3.33Å
74H98.5Very high95.1Very high29 Ų2949.9 Ų49.913%0.13424%0.238CC..  trans-140.2139.7-176.7-173.7-94.1000110.9H76 I77 S126 G127 Y130H74-H76 AromaticContact CE1-CD2 3.7Å; H74-H76 PolarHBondContact ND1-N 3.32Å; H74-H76 PolarHBondContact O-N 2.76Å; H74-I77 HydrophobicContact CB-CB 4.24Å; H74-I77 HydrophobicContact CB-CD1 3.84Å; H74-I77 HydrophobicContact CB-CG1 4.02Å; H74-I77 PolarHBondContact O-N 2.86Å; H74-S126 PolarHBondContact CE1-OG 3.35Å; H74-S126 PolarHBondContact NE2-O 2.69Å; H74-S126 PolarHBondContact NE2-OG 2.88Å; H74-G127 PolarHBondContact CE1-N 2.84Å; H74-Y130 HydrophobicContact CB-CD1 3.8Å; H74-Y130 HydrophobicContact CB-CD2 4.26Å; H74-Y130 HydrophobicContact CB-CE1 3.94Å; H74-Y130 HydrophobicContact CB-CE2 4.39Å; H74-Y130 HydrophobicContact CB-CG 3.95Å; H74-Y130 AromaticContact CD2-CD2 3.55Å; H74-Y130 AromaticContact CD2-CG 3.57Å; H74-Y130 AromaticContact CG-CG 3.86Å
75P98.3Very high95.2Very high82 Ų8251 Ų5153%0.53225%0.254SS..THydrogen-bonded Turntrans-59.7-29.1-177.921.9-34.7000114K155P75-K155 WeakPolarHBondContact O-CD 3.17Å; P75-K155 WeakPolarHBondContact O-CE 3.33Å; P75-K155 PolarHBondContact O-NZ 3.26Å
76H98.7Very high95.1Very high28 Ų2852.8 Ų52.813%0.1327%0.265CS..THydrogen-bonded Turntrans-104.421.3-178.3-55.5-59.7000114.5H74 Q123 V154 I156H74-H76 AromaticContact CE1-CD2 3.7Å; H74-H76 PolarHBondContact ND1-N 3.32Å; H74-H76 PolarHBondContact O-N 2.76Å; H76-Q123 WeakPolarHBondContact CB-O 3.48Å; H76-Q123 VanDerWaalsContact CE1-CD 3.47Å; H76-Q123 WeakPolarHBondContact CE1-CG 3.44Å; H76-V154 VanDerWaalsContact CA-O 3.32Å; H76-V154 WeakPolarHBondContact CA-O 3.34Å; H76-V154 WeakPolarHBondContact CB-O 3.43Å; H76-V154 PolarHBondContact ND1-O 3.23Å; H76-I156 WeakPolarHBondContact O-CG1 3.45Å; H76-I156 PolarHBondContact O-N 2.86Å
77I98.4Very high95.1Very high3 Ų358.3 Ų58.32%0.01530%0.302CS..BIsolated β-bridgetrans-127.7135.3173.2-58.8174.9000108F72 H74 R79 Y130 C131 F159F72-I77 HydrophobicContact CB-CG2 4.34Å; F72-I77 HydrophobicContact CD2-CD1 4.26Å; F72-I77 HydrophobicContact CD2-CG2 3.99Å; F72-I77 HydrophobicContact CG-CD1 4.37Å; H74-I77 HydrophobicContact CB-CB 4.24Å; H74-I77 HydrophobicContact CB-CD1 3.84Å; H74-I77 HydrophobicContact CB-CG1 4.02Å; H74-I77 PolarHBondContact O-N 2.86Å; I77-R79 PolarHBondContact O-N 2.8Å; I77-Y130 HydrophobicContact CD1-CD1 3.7Å; I77-Y130 HydrophobicContact CD1-CE1 4.41Å; I77-Y130 HydrophobicContact CD1-CG 4.48Å; I77-C131 VanDerWaalsContact CD1-SG 3.51Å; I77-F159 HydrophobicContact CG2-CE2 3.8Å; I77-F159 HydrophobicContact CG2-CZ 3.85Å
78I97.8Very high95Very high11 Ų1157 Ų576%0.05630%0.303CS..PPolyproline II helixtrans-59.7123.2174.5-70.7-64.8000109.7M94 E95 V97 L147 K155 I156 A157I78-M94 HydrophobicContact CG2-CB 3.96Å; I78-E95 HydrophobicContact CD1-CB 4.42Å; I78-E95 HydrophobicContact CG2-CB 4.27Å; I78-V97 HydrophobicContact CD1-CG1 3.82Å; I78-V97 HydrophobicContact CD1-CG2 4.01Å; I78-L147 HydrophobicContact CD1-CD1 4.26Å; I78-L147 HydrophobicContact CG1-CD1 4.36Å; I78-K155 HydrophobicContact CD1-CB 3.65Å; I78-K155 HydrophobicContact CD1-CD 4.3Å; I78-K155 HydrophobicContact CD1-CG 4.22Å; I78-K155 HydrophobicContact CG1-CB 4Å; I78-I156 PolarHBondContact N-O 3.43Å; I78-A157 HydrophobicContact CG1-CB 3.92Å
79R97.7Very high95.2Very high102 Ų10258.3 Ų58.339%0.38531%0.31SS..PPolyproline II helixtrans-78.7133.1-178.8-169.3158.9178.477.4-7.6111.5F72 C73 I77 Y81 M94 E95F72-R79 PolarHBondContact O-NH1 2.9Å; C73-R79 VanDerWaalsContact CB-NH1 3.32Å; C73-R79 PolarHBondContact SG-NH1 3.43Å; I77-R79 PolarHBondContact O-N 2.8Å; R79-Y81 HydrophobicContact CB-CD1 4.44Å; R79-Y81 HydrophobicContact CB-CE1 3.99Å; R79-Y81 HydrophobicContact CG-CD1 3.95Å; R79-Y81 HydrophobicContact CG-CE1 3.83Å; R79-M94 CarbonylContact O-C 3.59Å; R79-M94 VanDerWaalsContact O-CA 3.24Å; R79-M94 WeakPolarHBondContact O-CA 3.34Å; R79-E95 HydrophobicContact CB-CB 4.22Å; R79-E95 PolarHBondContact N-OE2 3.43Å; R79-E95 PolarHBondContact O-N 3.05Å
80L97Very high95.2Very high15 Ų1559 Ų598%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-87116164.9177.766.4000108.9I66 L69 R70 V83 M92 M94I66-L80 HydrophobicContact CG2-CD2 4.43Å; L69-L80 HydrophobicContact CB-CB 3.91Å; L69-L80 HydrophobicContact CB-CD2 3.78Å; L69-L80 HydrophobicContact CB-CG 4.49Å; R70-L80 HydrophobicContact CG-CD2 3.96Å; L80-V83 HydrophobicContact CD1-CG2 4.13Å; L80-V83 HydrophobicContact CD2-CG2 3.99Å; L80-V83 HydrophobicContact CG-CG2 4.44Å; L80-M92 HydrophobicContact CD1-CB 3.85Å; L80-M92 HydrophobicContact CD1-CE 4.26Å; L80-M92 HydrophobicContact CD1-CG 4.46Å; L80-M94 HydrophobicContact CD1-CG 4Å
81Y95Very high95.2Very high98 Ų9851.8 Ų51.838%0.38429%0.287SS..EExtended strand (participates in β ladder)trans-83.7-48.1178.9-60.2-44.8000112V43 R79 I93 E95V43-Y81 HydrophobicContact CG1-CD2 4.2Å; V43-Y81 HydrophobicContact CG1-CE2 4.22Å; R79-Y81 HydrophobicContact CB-CD1 4.44Å; R79-Y81 HydrophobicContact CB-CE1 3.99Å; R79-Y81 HydrophobicContact CG-CD1 3.95Å; R79-Y81 HydrophobicContact CG-CE1 3.83Å; Y81-I93 HydrophobicContact CD2-CG2 4.42Å; Y81-I93 PolarHBondContact N-O 3.12Å; Y81-E95 HydrophobicContact CE2-CB 4.28Å
82Q93.9Very high95.6Very high80 Ų8046.5 Ų46.537%0.37426%0.259SS..EExtended strand (participates in β ladder)trans-158.4164.1-179.662.1176.74.900111.7I93Q82-I93 HydrophobicContact CG-CB 3.57Å; Q82-I93 HydrophobicContact CG-CG1 3.53Å; Q82-I93 HydrophobicContact CG-CG2 4.21Å; Q82-I93 PolarHBondContact N-O 3.17Å; Q82-I93 PolarHBondContact O-N 2.86Å
83V95.2Very high95.6Very high40 Ų4046.3 Ų46.324%0.24226%0.258CS..EExtended strand (participates in β ladder)trans-122.1122.1171.8-179.90000108.3I66 L80 I90 F91 M92I66-V83 HydrophobicContact CD1-CG1 4.27Å; I66-V83 HydrophobicContact CD1-CG2 4.47Å; I66-V83 HydrophobicContact CG1-CG2 4.37Å; I66-V83 HydrophobicContact CG2-CG2 3.86Å; L80-V83 HydrophobicContact CD1-CG2 4.13Å; L80-V83 HydrophobicContact CD2-CG2 3.99Å; L80-V83 HydrophobicContact CG-CG2 4.44Å; V83-I90 HydrophobicContact CG1-CG2 3.72Å; V83-F91 CarbonylContact C-O 3.55Å; V83-F91 WeakPolarHBondContact CA-O 3.42Å; V83-M92 HydrophobicContact CG2-CG 4.37Å
84I94.4Very high95.6Very high20 Ų2043.4 Ų43.410%0.10324%0.237CC..EExtended strand (participates in β ladder)trans-103.3136.5174.1-59.8165.8000107.8L14 I15 F91 I93L14-I84 HydrophobicContact CD1-CG2 4.12Å; L14-I84 HydrophobicContact CD2-CD1 3.92Å; L14-I84 HydrophobicContact CG-CD1 4.08Å; I15-I84 HydrophobicContact CD1-CD1 4.18Å; I15-I84 HydrophobicContact CD1-CG1 4.43Å; I15-I84 HydrophobicContact CD1-CG2 3.69Å; I15-I84 HydrophobicContact CG1-CG2 4.49Å; I84-F91 HydrophobicContact CB-CB 4.21Å; I84-F91 PolarHBondContact N-O 3.48Å; I84-F91 PolarHBondContact O-N 2.78Å; I84-I93 HydrophobicContact CD1-CD1 4.23Å; I84-I93 HydrophobicContact CD1-CG1 4.07Å; I84-I93 HydrophobicContact CG1-CG1 4.48Å
85S92Very high95.6Very high75 Ų7543.9 Ų43.952%0.52424%0.239SC..EExtended strand (participates in β ladder)trans-124.3128-177.8163.60000110R50R50-S85 PolarHBondContact NH2-OG 3Å
86T92.6Very high95.5Very high41 Ų4142.7 Ų42.725%0.25222%0.224SC..  trans-115171.517069.90000109.8R50 S88 D89 F91R50-T86 WeakPolarHBondContact CD-O 3.38Å; R50-T86 PolarHBondContact NE-O 3.28Å; T86-S88 PolarHBondContact O-N 3.18Å; T86-S88 PolarHBondContact OG1-N 2.82Å; T86-S88 PolarHBondContact OG1-OG 3.4Å; T86-D89 PolarHBondContact N-O 2.91Å; T86-D89 PolarHBondContact OG1-N 3.39Å; T86-D89 PolarHBondContact OG1-O 3.03Å; T86-F91 HydrophobicContact CG2-CD2 4.36Å; T86-F91 HydrophobicContact CG2-CE2 3.76Å
87P93.4Very high95.5Very high134 Ų13442.2 Ų42.287%0.8722%0.224SC*.SBendtrans-60-28.5173.9-27.136.7000114.1R50R50-P87 WeakPolarHBondContact CD-O 3.38Å
88S92.5Very high95.3Very high63 Ų6345.5 Ų45.544%0.44125%0.247SC..SBendtrans-95-37.3-177.158.80000113.5R50 T86R50-S88 VanDerWaalsContact CB-O 3.23Å; R50-S88 WeakPolarHBondContact CB-O 3.34Å; R50-S88 WeakPolarHBondContact CG-O 3.37Å; R50-S88 PolarHBondContact N-O 3.48Å; T86-S88 PolarHBondContact O-N 3.18Å; T86-S88 PolarHBondContact OG1-N 2.82Å; T86-S88 PolarHBondContact OG1-OG 3.4Å
89D93.8Very high95.2Very high31 Ų3146.6 Ų46.617%0.16626%0.261CS..EExtended strand (participates in β ladder)trans-142.2161.3-166-55.7-74.8000112.5L48 N49 T86 F91L48-D89 CarbonylContact O-C 3.45Å; L48-D89 WeakPolarHBondContact O-CA 3.41Å; N49-D89 VanDerWaalsContact CA-OD1 3.29Å; N49-D89 WeakPolarHBondContact CA-OD1 3.31Å; N49-D89 PolarHBondContact ND2-OD1 3.13Å; T86-D89 PolarHBondContact N-O 2.91Å; T86-D89 PolarHBondContact OG1-N 3.39Å; T86-D89 PolarHBondContact OG1-O 3.03Å; D89-F91 HydrophobicContact CB-CD2 4.41Å; D89-F91 HydrophobicContact CB-CE2 3.65Å; D89-F91 HydrophobicContact CB-CZ 3.74Å
90I94.2Very high95.2Very high22 Ų2243.3 Ų43.311%0.11326%0.259CS..EExtended strand (participates in β ladder)trans-117.2132169.4-59.6171000107.1L48 R50 I53 I66 V83L48-I90 HydrophobicContact CB-CB 4.3Å; L48-I90 PolarHBondContact N-O 3.23Å; L48-I90 PolarHBondContact O-N 3.05Å; R50-I90 HydrophobicContact CG-CG1 4.23Å; I53-I90 HydrophobicContact CD1-CD1 4.17Å; I66-I90 HydrophobicContact CD1-CG2 4.36Å; V83-I90 HydrophobicContact CG1-CG2 3.72Å
91F95.5Very high95.2Very high16 Ų1645.8 Ų45.87%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-117.3118.5-179.6-56.6-95.9000109.1L14 V45 K46 I47 V83 I84 T86 D89 I93L14-F91 HydrophobicContact CD1-CD1 4.05Å; L14-F91 HydrophobicContact CD1-CD2 3.66Å; L14-F91 HydrophobicContact CD1-CE1 4.06Å; L14-F91 HydrophobicContact CD1-CE2 3.68Å; L14-F91 HydrophobicContact CD1-CG 3.86Å; L14-F91 HydrophobicContact CD1-CZ 3.89Å; L14-F91 HydrophobicContact CD2-CB 3.68Å; L14-F91 HydrophobicContact CD2-CD1 3.56Å; L14-F91 HydrophobicContact CD2-CD2 4.21Å; L14-F91 HydrophobicContact CD2-CE1 4.23Å; L14-F91 HydrophobicContact CD2-CG 3.55Å; L14-F91 HydrophobicContact CG-CD1 4.4Å; L14-F91 HydrophobicContact CG-CG 4.37Å; V45-F91 HydrophobicContact CG1-CB 4.22Å; V45-F91 HydrophobicContact CG1-CD1 3.99Å; K46-F91 WeakPolarHBondContact O-CA 3.14Å; I47-F91 HydrophobicContact CB-CD1 4.42Å; I47-F91 HydrophobicContact CB-CE1 4.46Å; I47-F91 HydrophobicContact CD1-CE1 4.43Å; I47-F91 HydrophobicContact CG1-CD1 3.93Å; I47-F91 HydrophobicContact CG1-CE1 4.08Å; I47-F91 HydrophobicContact CG2-CD1 4.11Å; I47-F91 HydrophobicContact CG2-CE1 3.74Å; I47-F91 HydrophobicContact CG2-CZ 4.39Å; V83-F91 CarbonylContact C-O 3.55Å; V83-F91 WeakPolarHBondContact CA-O 3.42Å; I84-F91 HydrophobicContact CB-CB 4.21Å; I84-F91 PolarHBondContact N-O 3.48Å; I84-F91 PolarHBondContact O-N 2.78Å; T86-F91 HydrophobicContact CG2-CD2 4.36Å; T86-F91 HydrophobicContact CG2-CE2 3.76Å; D89-F91 HydrophobicContact CB-CD2 4.41Å; D89-F91 HydrophobicContact CB-CE2 3.65Å; D89-F91 HydrophobicContact CB-CZ 3.74Å; F91-I93 HydrophobicContact CB-CD1 4.47Å
92M95.8Very high95.3Very high0 Ų041.5 Ų41.50%025%0.254CS..EExtended strand (participates in β ladder)trans-97.5116.6171.9-59.9166.761.800108.3V45 K46 L48 E65 I66 L69 L80 V83 M94V45-M92 WeakPolarHBondContact CA-O 3.42Å; K46-M92 HydrophobicContact CB-CB 4.19Å; K46-M92 HydrophobicContact CD-SD 4.16Å; K46-M92 PolarHBondContact N-O 3.34Å; K46-M92 PolarHBondContact O-N 2.93Å; L48-M92 HydrophobicContact CD1-CG 4.47Å; L48-M92 HydrophobicContact CD1-SD 3.75Å; E65-M92 HydrophobicContact CG-CE 4.28Å; I66-M92 HydrophobicContact CG1-CE 4.12Å; I66-M92 HydrophobicContact CG1-CG 4.33Å; I66-M92 HydrophobicContact CG1-SD 4.03Å; L69-M92 HydrophobicContact CD1-CE 3.52Å; L80-M92 HydrophobicContact CD1-CB 3.85Å; L80-M92 HydrophobicContact CD1-CE 4.26Å; L80-M92 HydrophobicContact CD1-CG 4.46Å; V83-M92 HydrophobicContact CG2-CG 4.37Å; M92-M94 HydrophobicContact CB-CG 4.27Å; M92-M94 HydrophobicContact CB-SD 4.37Å; M92-M94 HydrophobicContact CE-SD 4.39Å
93I96Very high95.4Very high0 Ų041.5 Ų41.50%025%0.253CS..EExtended strand (participates in β ladder)trans-93.1113.5179-49.8-56.5000107.8L14 Y17 V43 V45 Y81 Q82 I84 F91L14-I93 HydrophobicContact CD2-CD1 3.97Å; Y17-I93 HydrophobicContact CE1-CG2 4.25Å; Y17-I93 HydrophobicContact CE2-CG2 4.43Å; V43-I93 HydrophobicContact CB-CG2 3.92Å; V43-I93 HydrophobicContact CG1-CG2 3.96Å; V43-I93 HydrophobicContact CG2-CG2 3.95Å; V45-I93 HydrophobicContact CB-CD1 4.38Å; V45-I93 HydrophobicContact CG1-CD1 3.89Å; V45-I93 HydrophobicContact CG2-CD1 3.8Å; Y81-I93 HydrophobicContact CD2-CG2 4.42Å; Y81-I93 PolarHBondContact N-O 3.12Å; Q82-I93 HydrophobicContact CG-CB 3.57Å; Q82-I93 HydrophobicContact CG-CG1 3.53Å; Q82-I93 HydrophobicContact CG-CG2 4.21Å; Q82-I93 PolarHBondContact N-O 3.17Å; Q82-I93 PolarHBondContact O-N 2.86Å; I84-I93 HydrophobicContact CD1-CD1 4.23Å; I84-I93 HydrophobicContact CD1-CG1 4.07Å; I84-I93 HydrophobicContact CG1-CG1 4.48Å; F91-I93 HydrophobicContact CB-CD1 4.47Å
94M97.2Very high95.5Very high21 Ų2144 Ų4410%0.10327%0.265CS..EExtended strand (participates in β ladder)trans-124.5161.9-169-55.5177.7-56.300111V31 V43 A44 K46 I78 R79 L80 M92 Y96V31-M94 HydrophobicContact CG1-CE 4.44Å; V43-M94 WeakPolarHBondContact CA-O 3.41Å; V43-M94 WeakPolarHBondContact CB-O 3.27Å; A44-M94 HydrophobicContact CB-CB 4.37Å; A44-M94 HydrophobicContact CB-CE 4.25Å; A44-M94 PolarHBondContact N-O 3.33Å; A44-M94 PolarHBondContact O-N 2.84Å; K46-M94 HydrophobicContact CB-CE 3.66Å; K46-M94 HydrophobicContact CB-SD 4.37Å; I78-M94 HydrophobicContact CG2-CB 3.96Å; R79-M94 CarbonylContact O-C 3.59Å; R79-M94 VanDerWaalsContact O-CA 3.24Å; R79-M94 WeakPolarHBondContact O-CA 3.34Å; L80-M94 HydrophobicContact CD1-CG 4Å; M92-M94 HydrophobicContact CB-CG 4.27Å; M92-M94 HydrophobicContact CB-SD 4.37Å; M92-M94 HydrophobicContact CE-SD 4.39Å; M94-Y96 PolarHBondContact O-N 3.3Å
95E97.5Very high95.7Very high40 Ų4044.4 Ų44.419%0.18727%0.265CS..EExtended strand (participates in β ladder)trans-52.5129.3169.5-177.3175.6-158.600110.6I78 R79 Y81 V97 K155I78-E95 HydrophobicContact CD1-CB 4.42Å; I78-E95 HydrophobicContact CG2-CB 4.27Å; R79-E95 HydrophobicContact CB-CB 4.22Å; R79-E95 PolarHBondContact N-OE2 3.43Å; R79-E95 PolarHBondContact O-N 3.05Å; Y81-E95 HydrophobicContact CE2-CB 4.28Å; E95-V97 HydrophobicContact CG-CG1 4.18Å; E95-K155 VanDerWaalsContact OE1-CE 3.31Å; E95-K155 WeakPolarHBondContact OE1-CE 3.47Å; E95-K155 IonicContact OE1-NZ 2.7Å; E95-K155 PolarHBondContact OE1-NZ 3.46Å; E95-K155 IonicContact OE2-NZ 3.87Å; E95-K155 PolarHBondContact OE2-NZ 3.06Å
96Y98Very high95.9Very high56 Ų5643.7 Ų43.722%0.2226%0.255CS..  trans-92.5134.4170.3173.8-102.5000109.8L23 V33 K42 M94L23-Y96 HydrophobicContact CD1-CD2 3.91Å; L23-Y96 HydrophobicContact CD1-CE2 3.9Å; L23-Y96 HydrophobicContact CD2-CE2 4.08Å; V33-Y96 HydrophobicContact CG2-CE2 4.03Å; K42-Y96 HydrophobicContact CB-CD1 3.77Å; K42-Y96 HydrophobicContact CB-CE1 4.4Å; K42-Y96 HydrophobicContact CB-CG 4.13Å; K42-Y96 HydrophobicContact CD-CD1 4.13Å; K42-Y96 HydrophobicContact CD-CE1 3.9Å; M94-Y96 PolarHBondContact O-N 3.3Å
97V97.1Very high96.1Very high19 Ų1946.3 Ų46.312%0.11527%0.27CS..  trans-127.5137.3174.2-62.40000109.2I78 E95 L147 L148 D149 K155I78-V97 HydrophobicContact CD1-CG1 3.82Å; I78-V97 HydrophobicContact CD1-CG2 4.01Å; E95-V97 HydrophobicContact CG-CG1 4.18Å; V97-L147 HydrophobicContact CG2-CB 3.46Å; V97-L147 VanDerWaalsContact CG2-CB 3.46Å; V97-L147 HydrophobicContact CG2-CD1 3.68Å; V97-L147 HydrophobicContact CG2-CG 4.21Å; V97-L148 WeakPolarHBondContact CB-O 3.48Å; V97-D149 HydrophobicContact CB-CB 4.42Å; V97-D149 HydrophobicContact CG1-CB 4.24Å; V97-K155 HydrophobicContact CG1-CG 4.12Å
98S95.7Very high96.3Very high71 Ų7149 Ų4950%0.49727%0.269SS..SBendtrans-97.6-9.6-166.758.40000114.7G100S98-G100 VanDerWaalsContact C-N 3.28Å; S98-G100 PolarHBondContact O-N 3.5Å
99G95.8Very high96.5Very high34 Ų3452.7 Ų52.735%0.35127%0.273SS..SBendtrans-79.6-7.1-176.400000114.3L148G99-L148 WeakPolarHBondContact CA-O 3.27Å; G99-L148 PolarHBondContact N-O 3.47Å
100G96Very high96.6Very high34 Ų3453 Ų5335%0.35128%0.283SS..  trans73-158.1-179.300000112.7S98 L147 L148S98-G100 VanDerWaalsContact C-N 3.28Å; S98-G100 PolarHBondContact O-N 3.5Å; G100-L147 CarbonylContact O-C 3.56Å; G100-L147 VanDerWaalsContact O-CA 3.26Å; G100-L147 WeakPolarHBondContact O-CA 3.26Å; G100-L148 PolarHBondContact O-N 2.89Å
101E97Very high96.6Very high66 Ų6663.7 Ų63.731%0.30832%0.322SS..BIsolated β-bridgetrans-81141.7-178.6-61178.3-167.300111.4F103 D104 Y105 L147E101-F103 HydrophobicContact CB-CB 4.32Å; E101-F103 PolarHBondContact O-N 3.31Å; E101-D104 PolarHBondContact O-N 3.4Å; E101-Y105 PolarHBondContact O-N 2.87Å; E101-L147 HydrophobicContact CG-CD2 3.89Å
102L97.5Very high96.7Very high8 Ų864 Ų644%0.04233%0.325CS..Hα-helixtrans-62.5-28.1171.6178.661.1000110.9Y105 I106 F120 I124 P143 L146 L148L102-Y105 HydrophobicContact CD1-CD1 4.32Å; L102-Y105 WeakPolarHBondContact O-CB 3.19Å; L102-Y105 PolarHBondContact O-N 2.87Å; L102-I106 HydrophobicContact CD1-CD1 4.28Å; L102-I106 HydrophobicContact CD1-CG1 4.28Å; L102-I106 HydrophobicContact CG-CD1 3.94Å; L102-I106 HydrophobicContact CG-CG1 4.4Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.7Å; L102-F120 HydrophobicContact CD1-CD2 3.67Å; L102-F120 HydrophobicContact CD1-CE2 3.7Å; L102-F120 HydrophobicContact CD1-CG 4.39Å; L102-F120 HydrophobicContact CD1-CZ 4.47Å; L102-I124 HydrophobicContact CD2-CD1 4.29Å; L102-P143 PolarHBondContact N-O 2.89Å; L102-L146 HydrophobicContact CB-CB 3.93Å; L102-L146 WeakPolarHBondContact CB-O 3.18Å; L102-L146 HydrophobicContact CD2-CB 4.06Å; L102-L146 HydrophobicContact CD2-CD1 3.83Å; L102-L146 PolarHBondContact N-O 2.94Å; L102-L148 HydrophobicContact CD1-CD1 4.22Å; L102-L148 HydrophobicContact CD1-CD2 4.33Å
103F97.1Very high96.7Very high80 Ų8070.9 Ų70.935%0.35136%0.357SS..Hα-helixtrans-54.6-56172.3-175.9-97000111.9E101 Y105 I106 V107 P143 E144E101-F103 HydrophobicContact CB-CB 4.32Å; E101-F103 PolarHBondContact O-N 3.31Å; F103-Y105 PolarHBondContact O-N 2.83Å; F103-I106 PolarHBondContact O-N 3.35Å; F103-I106 VanDerWaalsContact O-N 3.12Å; F103-V107 HydrophobicContact CD1-CG2 4.01Å; F103-V107 HydrophobicContact CE1-CG2 3.61Å; F103-V107 HydrophobicContact CE2-CG2 4.34Å; F103-V107 HydrophobicContact CZ-CG2 3.79Å; F103-V107 WeakPolarHBondContact O-CG2 3.42Å; F103-V107 PolarHBondContact O-N 2.96Å; F103-P143 HydrophobicContact CB-CB 3.81Å; F103-P143 HydrophobicContact CD2-CB 4.14Å; F103-P143 HydrophobicContact CG-CB 4.5Å; F103-P143 PolarHBondContact N-O 3.18Å; F103-E144 HydrophobicContact CB-CG 4.06Å; F103-E144 HydrophobicContact CD2-CG 4.27Å; F103-E144 HydrophobicContact CG-CG 4.1Å
104D96.8Very high96.8Very high94 Ų9477.7 Ų77.750%0.50339%0.389SS..Hα-helixtrans-61.1-37180-69.8-31.3000111.8E101 I106 V107 K108E101-D104 PolarHBondContact O-N 3.4Å; D104-I106 PolarHBondContact O-N 3.46Å; D104-V107 PolarHBondContact O-N 3.16Å; D104-K108 WeakPolarHBondContact O-CB 3.42Å; D104-K108 PolarHBondContact O-N 3.3Å
105Y97.5Very high96.9Very high28 Ų2882.6 Ų82.611%0.1141%0.411CS..Hα-helixtrans-59.1-46.7175.2-171.7-85.8000112E101 L102 F103 R109 L112 E116 F120 L148E101-Y105 PolarHBondContact O-N 2.87Å; L102-Y105 HydrophobicContact CD1-CD1 4.32Å; L102-Y105 WeakPolarHBondContact O-CB 3.19Å; L102-Y105 PolarHBondContact O-N 2.87Å; F103-Y105 PolarHBondContact O-N 2.83Å; Y105-R109 PolarHBondContact O-N 3.11Å; Y105-R109 PolarHBondContact OH-NH1 3.08Å; Y105-R109 PolarHBondContact OH-NH2 2.93Å; Y105-L112 HydrophobicContact CD1-CD1 4.49Å; Y105-L112 HydrophobicContact CD1-CD2 4.04Å; Y105-L112 HydrophobicContact CE1-CD1 4.43Å; Y105-L112 HydrophobicContact CE1-CD2 3.82Å; Y105-E116 WeakPolarHBondContact CE1-OE1 3.16Å; Y105-E116 PolarHBondContact OH-OE1 3.26Å; Y105-F120 AromaticContact CD1-CE2 3.95Å; Y105-F120 HydrophobicContact CD1-CE2 3.95Å; Y105-F120 HydrophobicContact CD1-CZ 4.36Å; Y105-F120 AromaticContact CE1-CE2 3.57Å; Y105-F120 HydrophobicContact CE1-CE2 3.57Å; Y105-F120 AromaticContact CE1-CZ 3.76Å; Y105-F120 HydrophobicContact CE1-CZ 3.76Å; Y105-F120 AromaticContact CZ-CZ 3.9Å; Y105-L148 HydrophobicContact CD2-CD1 3.52Å; Y105-L148 HydrophobicContact CE2-CD1 4.12Å; Y105-L148 HydrophobicContact CG-CD1 3.74Å
106I97.2Very high96.9Very high60 Ų6082.2 Ų82.231%0.30841%0.409SS..Hα-helixtrans-67.1-47.6177.9-66.8165.2000110.1L102 F103 D104 K108 R109 G110 L112L102-I106 HydrophobicContact CD1-CD1 4.28Å; L102-I106 HydrophobicContact CD1-CG1 4.28Å; L102-I106 HydrophobicContact CG-CD1 3.94Å; L102-I106 HydrophobicContact CG-CG1 4.4Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.7Å; F103-I106 PolarHBondContact O-N 3.35Å; F103-I106 VanDerWaalsContact O-N 3.12Å; D104-I106 PolarHBondContact O-N 3.46Å; I106-K108 VanDerWaalsContact C-N 3.27Å; I106-K108 PolarHBondContact O-N 3.02Å; I106-R109 PolarHBondContact O-N 3.29Å; I106-R109 VanDerWaalsContact O-N 3.14Å; I106-G110 WeakPolarHBondContact O-CA 3.46Å; I106-G110 PolarHBondContact O-N 3.48Å; I106-G110 VanDerWaalsContact O-O 3.09Å; I106-L112 HydrophobicContact CG1-CD1 4Å; I106-L112 HydrophobicContact CG1-CG 4.29Å
107V97Very high96.9Very high95 Ų9581.4 Ų81.458%0.57642%0.415SS*.Hα-helixtrans-56.2-43.2179.9169.50000111.3F103 D104 R109F103-V107 HydrophobicContact CD1-CG2 4.01Å; F103-V107 HydrophobicContact CE1-CG2 3.61Å; F103-V107 HydrophobicContact CE2-CG2 4.34Å; F103-V107 HydrophobicContact CZ-CG2 3.79Å; F103-V107 WeakPolarHBondContact O-CG2 3.42Å; F103-V107 PolarHBondContact O-N 2.96Å; D104-V107 PolarHBondContact O-N 3.16Å; V107-R109 PolarHBondContact O-N 3.39Å
108K96.9Very high96.9Very high191 Ų19186 Ų8683%0.8343%0.43SS*.Hα-helixtrans-67.6-32.4-179.3-174.9174.4179.9177.60113.7D104 I106D104-K108 WeakPolarHBondContact O-CB 3.42Å; D104-K108 PolarHBondContact O-N 3.3Å; I106-K108 VanDerWaalsContact C-N 3.27Å; I106-K108 PolarHBondContact O-N 3.02Å
109R96.3Very high97.1Very high140 Ų14086.6 Ų86.653%0.52843%0.425SS..Hα-helixtrans-101.1-11.7-175.4-67.7-174.4175.4-156.44113.7Y105 I106 V107 L112 E116Y105-R109 PolarHBondContact O-N 3.11Å; Y105-R109 PolarHBondContact OH-NH1 3.08Å; Y105-R109 PolarHBondContact OH-NH2 2.93Å; I106-R109 PolarHBondContact O-N 3.29Å; I106-R109 VanDerWaalsContact O-N 3.14Å; V107-R109 PolarHBondContact O-N 3.39Å; R109-L112 HydrophobicContact CB-CD2 4.08Å; R109-E116 IonicContact CZ-OE1 2.7Å; R109-E116 IonicContact NH1-OE1 2.75Å; R109-E116 PolarHBondContact NH1-OE1 3.4Å; R109-E116 IonicContact NH1-OE2 2.68Å
110G95.8Very high97.2Very high38 Ų3885.4 Ų85.439%0.39241%0.41SS..  trans66.3-142.9-166.100000111.2I106 L112I106-G110 WeakPolarHBondContact O-CA 3.46Å; I106-G110 PolarHBondContact O-N 3.48Å; I106-G110 VanDerWaalsContact O-O 3.09Å; G110-L112 PolarHBondContact O-N 2.87Å
111R95.5Very high97.3Very high246 Ų24689.9 Ų89.993%0.92842%0.42SS*.SBendtrans-66.3121.6-179.3-175.5175.9178.2176.20.1110.4
112L96.3Very high97.4Very high24 Ų2492.2 Ų92.213%0.12643%0.431CS..PPolyproline II helixtrans-67.5147.3173.3-56.1-176.5000110.9Y105 I106 R109 G110 A117 F120Y105-L112 HydrophobicContact CD1-CD1 4.49Å; Y105-L112 HydrophobicContact CD1-CD2 4.04Å; Y105-L112 HydrophobicContact CE1-CD1 4.43Å; Y105-L112 HydrophobicContact CE1-CD2 3.82Å; I106-L112 HydrophobicContact CG1-CD1 4Å; I106-L112 HydrophobicContact CG1-CG 4.29Å; R109-L112 HydrophobicContact CB-CD2 4.08Å; G110-L112 PolarHBondContact O-N 2.87Å; L112-A117 HydrophobicContact CB-CB 4.21Å; L112-F120 HydrophobicContact CD1-CD2 3.68Å; L112-F120 HydrophobicContact CD1-CE2 3.66Å
113Q97.5Very high97.5Very high144 Ų14492.5 Ų92.567%0.67343%0.432SS*.PPolyproline II helixtrans-65.9150.2170.6-64.6-170.419.600110.1H115 E116 A117Q113-H115 VanDerWaalsContact C-N 3.26Å; Q113-H115 PolarHBondContact O-N 3.37Å; Q113-E116 PolarHBondContact O-N 3.49Å; Q113-A117 PolarHBondContact O-N 3.34Å
114E98.2Very high97.5Very high143 Ų14390 Ų9067%0.66842%0.422SS*.Hα-helixtrans-56.7-39.2-174.1-167.3-171.1155.400112.8E116 A117 R118E114-E116 VanDerWaalsContact C-N 3.32Å; E114-E116 PolarHBondContact O-N 2.93Å; E114-A117 PolarHBondContact O-N 2.82Å; E114-R118 VanDerWaalsContact CD-NH2 3.26Å; E114-R118 WeakPolarHBondContact O-CB 3.37Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-R118 IonicContact OE1-CZ 3.64Å; E114-R118 IonicContact OE1-NH2 3.77Å; E114-R118 PolarHBondContact OE1-NH2 3.17Å
115H98Very high97.6Very high124 Ų12489.3 Ų89.357%0.57442%0.417SS*.Hα-helixtrans-61.5-41.6179.4103.6-88.4000111.9Q113 H119Q113-H115 VanDerWaalsContact C-N 3.26Å; Q113-H115 PolarHBondContact O-N 3.37Å; H115-H119 PolarHBondContact O-N 3.43Å
116E97.3Very high97.7Very high31 Ų3190.3 Ų90.315%0.14543%0.428CS..Hα-helixtrans-74.5-45.4-178.4-177.4176.6-148.600110.2Y105 R109 Q113 E114 R118 H119 F120Y105-E116 WeakPolarHBondContact CE1-OE1 3.16Å; Y105-E116 PolarHBondContact OH-OE1 3.26Å; R109-E116 IonicContact CZ-OE1 2.7Å; R109-E116 IonicContact NH1-OE1 2.75Å; R109-E116 PolarHBondContact NH1-OE1 3.4Å; R109-E116 IonicContact NH1-OE2 2.68Å; Q113-E116 PolarHBondContact O-N 3.49Å; E114-E116 VanDerWaalsContact C-N 3.32Å; E114-E116 PolarHBondContact O-N 2.93Å; E116-R118 VanDerWaalsContact C-N 3.3Å; E116-R118 PolarHBondContact O-N 3.3Å; E116-H119 WeakPolarHBondContact O-CB 3.23Å; E116-H119 PolarHBondContact O-N 3.37Å; E116-H119 VanDerWaalsContact O-N 3.13Å; E116-F120 HydrophobicContact CG-CE2 3.98Å; E116-F120 HydrophobicContact CG-CZ 4.13Å; E116-F120 PolarHBondContact O-N 3.29Å
117A98.1Very high97.8Very high40 Ų4087.4 Ų87.433%0.33141%0.413SS..Hα-helixtrans-58.1-43.3174.500000111.5L112 Q113 E114 H119 F120 F121L112-A117 HydrophobicContact CB-CB 4.21Å; Q113-A117 PolarHBondContact O-N 3.34Å; E114-A117 PolarHBondContact O-N 2.82Å; A117-H119 VanDerWaalsContact C-N 3.34Å; A117-H119 PolarHBondContact O-N 2.68Å; A117-F120 PolarHBondContact O-N 3.27Å; A117-F121 VanDerWaalsContact O-CB 3.27Å; A117-F121 WeakPolarHBondContact O-CB 3.38Å; A117-F121 PolarHBondContact O-N 3.12Å
118R98.5Very high97.8Very high114 Ų11483.9 Ų83.943%0.4339%0.392SS..Hα-helixtrans-62-42.7175.7-173.1-172.2-55.3121.1-2111.3E114 E116 F121 Q122E114-R118 VanDerWaalsContact CD-NH2 3.26Å; E114-R118 WeakPolarHBondContact O-CB 3.37Å; E114-R118 PolarHBondContact O-N 2.88Å; E114-R118 IonicContact OE1-CZ 3.64Å; E114-R118 IonicContact OE1-NH2 3.77Å; E114-R118 PolarHBondContact OE1-NH2 3.17Å; E116-R118 VanDerWaalsContact C-N 3.3Å; E116-R118 PolarHBondContact O-N 3.3Å; R118-F121 PolarHBondContact O-N 3.38Å; R118-Q122 HydrophobicContact CG-CG 4.43Å; R118-Q122 WeakPolarHBondContact O-CB 3.37Å; R118-Q122 VanDerWaalsContact O-CG 3.27Å; R118-Q122 WeakPolarHBondContact O-CG 3.37Å; R118-Q122 PolarHBondContact O-N 3.06Å
119H98.1Very high97.9Very high85 Ų8577.9 Ų77.939%0.39437%0.369SS..Hα-helixtrans-60.4-49.7178.6-174.465.5000111.6H115 E116 A117 F121 Q122 Q123H115-H119 PolarHBondContact O-N 3.43Å; E116-H119 WeakPolarHBondContact O-CB 3.23Å; E116-H119 PolarHBondContact O-N 3.37Å; E116-H119 VanDerWaalsContact O-N 3.13Å; A117-H119 VanDerWaalsContact C-N 3.34Å; A117-H119 PolarHBondContact O-N 2.68Å; H119-F121 PolarHBondContact O-N 3.09Å; H119-Q122 PolarHBondContact O-N 3.4Å; H119-Q123 PolarHBondContact CE1-NE2 2.87Å; H119-Q123 PolarHBondContact NE2-NE2 2.88Å; H119-Q123 VanDerWaalsContact NE2-NE2 3.11Å; H119-Q123 WeakPolarHBondContact O-CG 3.38Å; H119-Q123 PolarHBondContact O-N 3.4Å
120F98.5Very high98Very high8 Ų873.5 Ų73.54%0.03535%0.353CS..Hα-helixtrans-61.3-44.3174.7-65.4-23.4000112L102 Y105 L112 E116 A117 Q122 Q123 I124 L148 N152 V154L102-F120 HydrophobicContact CD1-CD2 3.67Å; L102-F120 HydrophobicContact CD1-CE2 3.7Å; L102-F120 HydrophobicContact CD1-CG 4.39Å; L102-F120 HydrophobicContact CD1-CZ 4.47Å; Y105-F120 AromaticContact CD1-CE2 3.95Å; Y105-F120 HydrophobicContact CD1-CE2 3.95Å; Y105-F120 HydrophobicContact CD1-CZ 4.36Å; Y105-F120 AromaticContact CE1-CE2 3.57Å; Y105-F120 HydrophobicContact CE1-CE2 3.57Å; Y105-F120 AromaticContact CE1-CZ 3.76Å; Y105-F120 HydrophobicContact CE1-CZ 3.76Å; Y105-F120 AromaticContact CZ-CZ 3.9Å; L112-F120 HydrophobicContact CD1-CD2 3.68Å; L112-F120 HydrophobicContact CD1-CE2 3.66Å; E116-F120 HydrophobicContact CG-CE2 3.98Å; E116-F120 HydrophobicContact CG-CZ 4.13Å; E116-F120 PolarHBondContact O-N 3.29Å; A117-F120 PolarHBondContact O-N 3.27Å; F120-Q122 VanDerWaalsContact C-N 3.35Å; F120-Q122 PolarHBondContact O-N 3.39Å; F120-Q123 PolarHBondContact O-N 2.79Å; F120-I124 VanDerWaalsContact O-CG1 3.26Å; F120-I124 WeakPolarHBondContact O-CG1 3.45Å; F120-I124 PolarHBondContact O-N 3.35Å; F120-L148 HydrophobicContact CE1-CD2 4.28Å; F120-L148 HydrophobicContact CZ-CD2 4.5Å; F120-N152 HydrophobicContact CE1-CB 4.16Å; F120-N152 VanDerWaalsContact CE1-O 3.27Å; F120-N152 WeakPolarHBondContact CE1-O 3.4Å; F120-N152 HydrophobicContact CZ-CB 4.42Å; F120-V154 HydrophobicContact CB-CG2 3.94Å; F120-V154 HydrophobicContact CD1-CG2 3.84Å; F120-V154 HydrophobicContact CG-CG2 4.07Å
121F98.7Very high98.1Very high128 Ų12871.8 Ų71.856%0.56134%0.335SS*.Hα-helixtrans-62-41-179.1-167.4-101.6000112.5A117 R118 H119 Q123 I124 I125A117-F121 VanDerWaalsContact O-CB 3.27Å; A117-F121 WeakPolarHBondContact O-CB 3.38Å; A117-F121 PolarHBondContact O-N 3.12Å; R118-F121 PolarHBondContact O-N 3.38Å; H119-F121 PolarHBondContact O-N 3.09Å; F121-Q123 VanDerWaalsContact C-N 3.31Å; F121-Q123 PolarHBondContact O-N 3.15Å; F121-I124 PolarHBondContact O-N 3.33Å; F121-I125 HydrophobicContact CD1-CG1 3.84Å; F121-I125 HydrophobicContact CE1-CD1 3.96Å; F121-I125 HydrophobicContact CE1-CG1 3.49Å; F121-I125 VanDerWaalsContact CE1-CG1 3.49Å; F121-I125 HydrophobicContact CE2-CD1 4.29Å; F121-I125 HydrophobicContact CE2-CG1 4.34Å; F121-I125 HydrophobicContact CG-CG1 4.41Å; F121-I125 HydrophobicContact CZ-CD1 3.74Å; F121-I125 HydrophobicContact CZ-CG1 3.77Å; F121-I125 WeakPolarHBondContact O-CB 3.28Å; F121-I125 VanDerWaalsContact O-CG1 3.31Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 3.43Å
122Q98.8Very high98.1Very high116 Ų11663.9 Ų63.954%0.54231%0.308SS..Hα-helixtrans-59.1-42.8175.1-76171.8-28.900112R118 H119 F120 I125 S126R118-Q122 HydrophobicContact CG-CG 4.43Å; R118-Q122 WeakPolarHBondContact O-CB 3.37Å; R118-Q122 VanDerWaalsContact O-CG 3.27Å; R118-Q122 WeakPolarHBondContact O-CG 3.37Å; R118-Q122 PolarHBondContact O-N 3.06Å; H119-Q122 PolarHBondContact O-N 3.4Å; F120-Q122 VanDerWaalsContact C-N 3.35Å; F120-Q122 PolarHBondContact O-N 3.39Å; Q122-I125 PolarHBondContact O-N 3.35Å; Q122-S126 WeakPolarHBondContact O-CB 3.26Å; Q122-S126 PolarHBondContact O-N 3.26Å
123Q98.8Very high98.1Very high14 Ų1471.4 Ų71.47%0.06534%0.335CS..Hα-helixtrans-67.4-41.4178-66-178-12.900112.2H76 H119 F120 F121 S126 G127 N153 V154H76-Q123 WeakPolarHBondContact CB-O 3.48Å; H76-Q123 VanDerWaalsContact CE1-CD 3.47Å; H76-Q123 WeakPolarHBondContact CE1-CG 3.44Å; H119-Q123 PolarHBondContact CE1-NE2 2.87Å; H119-Q123 PolarHBondContact NE2-NE2 2.88Å; H119-Q123 VanDerWaalsContact NE2-NE2 3.11Å; H119-Q123 WeakPolarHBondContact O-CG 3.38Å; H119-Q123 PolarHBondContact O-N 3.4Å; F120-Q123 PolarHBondContact O-N 2.79Å; F121-Q123 VanDerWaalsContact C-N 3.31Å; F121-Q123 PolarHBondContact O-N 3.15Å; Q123-S126 PolarHBondContact O-N 3.16Å; Q123-G127 PolarHBondContact O-N 2.98Å; Q123-G127 VanDerWaalsContact O-N 3.08Å; Q123-N153 PolarHBondContact NE2-OD1 2.91Å; Q123-N153 VanDerWaalsContact NE2-OD1 3.09Å; Q123-V154 HydrophobicContact CB-CB 4.09Å; Q123-V154 HydrophobicContact CB-CG2 4.45Å
124I98.8Very high98Very high26 Ų2668.1 Ų68.113%0.13332%0.319CS..Hα-helixtrans-58.7-53.2174-66161.1000109.6L102 F120 F121 S126 G127 V128 L146 V154L102-I124 HydrophobicContact CD2-CD1 4.29Å; F120-I124 VanDerWaalsContact O-CG1 3.26Å; F120-I124 WeakPolarHBondContact O-CG1 3.45Å; F120-I124 PolarHBondContact O-N 3.35Å; F121-I124 PolarHBondContact O-N 3.33Å; I124-S126 VanDerWaalsContact C-N 3.3Å; I124-S126 PolarHBondContact O-N 2.94Å; I124-G127 PolarHBondContact O-N 3.48Å; I124-V128 HydrophobicContact CG2-CG2 4.23Å; I124-V128 WeakPolarHBondContact O-CG2 3.33Å; I124-V128 PolarHBondContact O-N 3.27Å; I124-L146 HydrophobicContact CD1-CD1 3.56Å; I124-L146 HydrophobicContact CG1-CD1 3.94Å; I124-L146 HydrophobicContact CG1-CD2 4.17Å; I124-V154 HydrophobicContact CG1-CB 4.37Å; I124-V154 HydrophobicContact CG1-CG1 3.7Å; I124-V154 HydrophobicContact CG1-CG2 4.4Å
125I98.6Very high97.9Very high81 Ų8164.5 Ų64.542%0.41530%0.303SS..Hα-helixtrans-61.6-39-178.8-66.7-58.9000111.4F121 Q122 G127 V128 D129F121-I125 HydrophobicContact CD1-CG1 3.84Å; F121-I125 HydrophobicContact CE1-CD1 3.96Å; F121-I125 HydrophobicContact CE1-CG1 3.49Å; F121-I125 VanDerWaalsContact CE1-CG1 3.49Å; F121-I125 HydrophobicContact CE2-CD1 4.29Å; F121-I125 HydrophobicContact CE2-CG1 4.34Å; F121-I125 HydrophobicContact CG-CG1 4.41Å; F121-I125 HydrophobicContact CZ-CD1 3.74Å; F121-I125 HydrophobicContact CZ-CG1 3.77Å; F121-I125 WeakPolarHBondContact O-CB 3.28Å; F121-I125 VanDerWaalsContact O-CG1 3.31Å; F121-I125 WeakPolarHBondContact O-CG1 3.47Å; F121-I125 PolarHBondContact O-N 3.43Å; Q122-I125 PolarHBondContact O-N 3.35Å; I125-G127 VanDerWaalsContact C-N 3.32Å; I125-G127 PolarHBondContact O-N 3.1Å; I125-V128 PolarHBondContact O-N 3.06Å; I125-D129 VanDerWaalsContact O-CB 3.28Å; I125-D129 WeakPolarHBondContact O-CB 3.45Å; I125-D129 PolarHBondContact O-N 3.46Å
126S98.7Very high97.8Very high48 Ų4858.7 Ų58.734%0.33628%0.277SS..Hα-helixtrans-57.9-43.8173.4-174.50000112H74 Q122 Q123 I124 Y130H74-S126 PolarHBondContact CE1-OG 3.35Å; H74-S126 PolarHBondContact NE2-O 2.69Å; H74-S126 PolarHBondContact NE2-OG 2.88Å; Q122-S126 WeakPolarHBondContact O-CB 3.26Å; Q122-S126 PolarHBondContact O-N 3.26Å; Q123-S126 PolarHBondContact O-N 3.16Å; I124-S126 VanDerWaalsContact C-N 3.3Å; I124-S126 PolarHBondContact O-N 2.94Å; S126-Y130 WeakPolarHBondContact O-CB 3.37Å; S126-Y130 PolarHBondContact O-N 3.35Å; S126-Y130 VanDerWaalsContact O-N 3.16Å
127G98.5Very high97.7Very high0 Ų058.8 Ų58.80%028%0.279CS..Hα-helixtrans-68.3-39.717700000113.2H74 Q123 I124 I125 Y130 C131H74-G127 PolarHBondContact CE1-N 2.84Å; Q123-G127 PolarHBondContact O-N 2.98Å; Q123-G127 VanDerWaalsContact O-N 3.08Å; I124-G127 PolarHBondContact O-N 3.48Å; I125-G127 VanDerWaalsContact C-N 3.32Å; I125-G127 PolarHBondContact O-N 3.1Å; G127-Y130 PolarHBondContact O-N 3.41Å; G127-C131 PolarHBondContact O-N 3.4Å; G127-C131 PolarHBondContact O-SG 2.91Å
128V98.4Very high97.5Very high20 Ų2057.2 Ų57.212%0.12127%0.265CS..Hα-helixtrans-68-45.5178.8173.80000111.5I124 I125 Y130 C131 H132 L141 I156I124-V128 HydrophobicContact CG2-CG2 4.23Å; I124-V128 WeakPolarHBondContact O-CG2 3.33Å; I124-V128 PolarHBondContact O-N 3.27Å; I125-V128 PolarHBondContact O-N 3.06Å; V128-Y130 VanDerWaalsContact C-N 3.3Å; V128-Y130 PolarHBondContact O-N 3.01Å; V128-C131 WeakPolarHBondContact O-CB 3.34Å; V128-C131 PolarHBondContact O-N 3.07Å; V128-C131 VanDerWaalsContact O-N 3.1Å; V128-H132 VanDerWaalsContact CG1-CE1 3.47Å; V128-H132 WeakPolarHBondContact CG1-CE1 3.37Å; V128-H132 PolarHBondContact O-N 2.99Å; V128-L141 HydrophobicContact CG1-CD1 4.43Å; V128-L141 HydrophobicContact CG2-CD1 3.51Å; V128-L141 HydrophobicContact CG2-CD2 4.28Å; V128-I156 HydrophobicContact CG2-CD1 3.92Å
129D98.5Very high97.3Very high65 Ų6554.3 Ų54.335%0.34825%0.254SS..Hα-helixtrans-57-45.2174.8173.949.6000110.8I125 C131 H132 R133I125-D129 VanDerWaalsContact O-CB 3.28Å; I125-D129 WeakPolarHBondContact O-CB 3.45Å; I125-D129 PolarHBondContact O-N 3.46Å; D129-C131 VanDerWaalsContact C-N 3.34Å; D129-C131 PolarHBondContact O-N 3.38Å; D129-H132 PolarHBondContact O-N 3.38Å; D129-R133 VanDerWaalsContact CG-NE 3.34Å; D129-R133 WeakPolarHBondContact O-CG 3.43Å; D129-R133 PolarHBondContact O-N 3.17Å; D129-R133 IonicContact OD1-CZ 3.75Å; D129-R133 IonicContact OD1-NE 3.06Å; D129-R133 PolarHBondContact OD1-NE 2.91Å; D129-R133 IonicContact OD1-NH2 3.6Å; D129-R133 IonicContact OD2-CZ 3.01Å; D129-R133 IonicContact OD2-NE 2.99Å; D129-R133 PolarHBondContact OD2-NE 2.7Å; D129-R133 IonicContact OD2-NH1 4Å; D129-R133 IonicContact OD2-NH2 2.69Å; D129-R133 PolarHBondContact OD2-NH2 3.11Å
130Y98.3Very high97.1Very high48 Ų4851 Ų5119%0.18824%0.239CC..Hα-helixtrans-59.1-42.7174.8-174.1-89000112.7F72 C73 H74 I77 S126 G127 V128 R133 H134F72-Y130 HydrophobicContact CB-CE1 4.3Å; F72-Y130 HydrophobicContact CD1-CD1 4.28Å; F72-Y130 AromaticContact CD1-CE1 3.77Å; F72-Y130 HydrophobicContact CD1-CE1 3.77Å; F72-Y130 HydrophobicContact CE1-CE1 4.49Å; F72-Y130 HydrophobicContact CG-CE1 4.29Å; C73-Y130 PolarHBondContact N-OH 2.83Å; C73-Y130 PolarHBondContact O-OH 3.33Å; H74-Y130 HydrophobicContact CB-CD1 3.8Å; H74-Y130 HydrophobicContact CB-CD2 4.26Å; H74-Y130 HydrophobicContact CB-CE1 3.94Å; H74-Y130 HydrophobicContact CB-CE2 4.39Å; H74-Y130 HydrophobicContact CB-CG 3.95Å; H74-Y130 AromaticContact CD2-CD2 3.55Å; H74-Y130 AromaticContact CD2-CG 3.57Å; H74-Y130 AromaticContact CG-CG 3.86Å; I77-Y130 HydrophobicContact CD1-CD1 3.7Å; I77-Y130 HydrophobicContact CD1-CE1 4.41Å; I77-Y130 HydrophobicContact CD1-CG 4.48Å; S126-Y130 WeakPolarHBondContact O-CB 3.37Å; S126-Y130 PolarHBondContact O-N 3.35Å; S126-Y130 VanDerWaalsContact O-N 3.16Å; G127-Y130 PolarHBondContact O-N 3.41Å; V128-Y130 VanDerWaalsContact C-N 3.3Å; V128-Y130 PolarHBondContact O-N 3.01Å; Y130-R133 PolarHBondContact O-N 2.99Å; Y130-H134 AromaticContact CD1-ND1 3.81Å; Y130-H134 AromaticContact CD2-CE1 3.95Å; Y130-H134 AromaticContact CE1-CE1 3.53Å; Y130-H134 AromaticContact CE1-ND1 3.64Å; Y130-H134 AromaticContact CE2-CE1 3.45Å; Y130-H134 VanDerWaalsContact CE2-CE1 3.45Å; Y130-H134 WeakPolarHBondContact CE2-CE1 3.37Å; Y130-H134 AromaticContact CZ-CE1 3.21Å; Y130-H134 AromaticContact CZ-ND1 3.83Å; Y130-H134 AromaticContact CZ-NE2 3.86Å; Y130-H134 PolarHBondContact O-N 2.69Å; Y130-H134 PolarHBondContact O-ND1 3.16Å
131C97.7Very high97Very high2 Ų253.5 Ų53.51%0.01425%0.252CS..Hα-helixtrans-60.3-48.2175.3-650000111.3F72 I77 G127 V128 D129 R133 H134 M135 V136F72-C131 HydrophobicContact CZ-CB 4.43Å; I77-C131 VanDerWaalsContact CD1-SG 3.51Å; G127-C131 PolarHBondContact O-N 3.4Å; G127-C131 PolarHBondContact O-SG 2.91Å; V128-C131 WeakPolarHBondContact O-CB 3.34Å; V128-C131 PolarHBondContact O-N 3.07Å; V128-C131 VanDerWaalsContact O-N 3.1Å; D129-C131 VanDerWaalsContact C-N 3.34Å; D129-C131 PolarHBondContact O-N 3.38Å; C131-R133 VanDerWaalsContact C-N 3.35Å; C131-R133 PolarHBondContact O-N 3.1Å; C131-H134 CarbonylContact O-C 3.52Å; C131-H134 WeakPolarHBondContact O-CA 3.5Å; C131-H134 PolarHBondContact O-N 3.46Å; C131-M135 PolarHBondContact O-N 3.41Å; C131-V136 CarbonylContact C-O 3.52Å; C131-V136 WeakPolarHBondContact CB-O 3.38Å; C131-V136 PolarHBondContact O-N 3.18Å; C131-V136 VanDerWaalsContact O-O 3.14Å
132H96.7Very high96.9Very high80 Ų8049.2 Ų49.237%0.3723%0.234SC..Hα-helixtrans-64.7-37.5-177.8-67.5178.3000112.3V128 D129 H134 M135 V136 M165V128-H132 VanDerWaalsContact CG1-CE1 3.47Å; V128-H132 WeakPolarHBondContact CG1-CE1 3.37Å; V128-H132 PolarHBondContact O-N 2.99Å; D129-H132 PolarHBondContact O-N 3.38Å; H132-H134 PolarHBondContact O-N 3.44Å; H132-M135 WeakPolarHBondContact O-CA 3.34Å; H132-M135 PolarHBondContact O-N 3Å; H132-V136 PolarHBondContact CD2-O 3.46Å; H132-M165 HydrophobicContact CB-CE 4.24Å
133R95.8Very high96.8Very high182 Ų18244.9 Ų44.969%0.68722%0.215SC*.Hα-helixtrans-63-24.2172.7-70.8177.6-168.8-165.84.5113.7D129 Y130 C131 M135D129-R133 VanDerWaalsContact CG-NE 3.34Å; D129-R133 WeakPolarHBondContact O-CG 3.43Å; D129-R133 PolarHBondContact O-N 3.17Å; D129-R133 IonicContact OD1-CZ 3.75Å; D129-R133 IonicContact OD1-NE 3.06Å; D129-R133 PolarHBondContact OD1-NE 2.91Å; D129-R133 IonicContact OD1-NH2 3.6Å; D129-R133 IonicContact OD2-CZ 3.01Å; D129-R133 IonicContact OD2-NE 2.99Å; D129-R133 PolarHBondContact OD2-NE 2.7Å; D129-R133 IonicContact OD2-NH1 4Å; D129-R133 IonicContact OD2-NH2 2.69Å; D129-R133 PolarHBondContact OD2-NH2 3.11Å; Y130-R133 PolarHBondContact O-N 2.99Å; C131-R133 VanDerWaalsContact C-N 3.35Å; C131-R133 PolarHBondContact O-N 3.1Å; R133-M135 VanDerWaalsContact C-N 3.28Å
134H95.7Very high96.6Very high75 Ų7546.9 Ų46.935%0.34723%0.225SC..THydrogen-bonded Turntrans-93.815.8172.3-68.979.7000112.3F72 Y130 C131 H132 V136F72-H134 HydrophobicContact CE1-CB 3.85Å; Y130-H134 AromaticContact CD1-ND1 3.81Å; Y130-H134 AromaticContact CD2-CE1 3.95Å; Y130-H134 AromaticContact CE1-CE1 3.53Å; Y130-H134 AromaticContact CE1-ND1 3.64Å; Y130-H134 AromaticContact CE2-CE1 3.45Å; Y130-H134 VanDerWaalsContact CE2-CE1 3.45Å; Y130-H134 WeakPolarHBondContact CE2-CE1 3.37Å; Y130-H134 AromaticContact CZ-CE1 3.21Å; Y130-H134 AromaticContact CZ-ND1 3.83Å; Y130-H134 AromaticContact CZ-NE2 3.86Å; Y130-H134 PolarHBondContact O-N 2.69Å; Y130-H134 PolarHBondContact O-ND1 3.16Å; C131-H134 CarbonylContact O-C 3.52Å; C131-H134 WeakPolarHBondContact O-CA 3.5Å; C131-H134 PolarHBondContact O-N 3.46Å; H132-H134 PolarHBondContact O-N 3.44Å; H134-V136 PolarHBondContact O-N 2.9Å
135M95.2Very high96.5Very high68 Ų6846.4 Ų46.434%0.33522%0.223SC..THydrogen-bonded Turntrans57.928.2-178.1-55.8-57.1-75.900113.4C131 H132 R133 I164 M165 D167C131-M135 PolarHBondContact O-N 3.41Å; H132-M135 WeakPolarHBondContact O-CA 3.34Å; H132-M135 PolarHBondContact O-N 3Å; R133-M135 VanDerWaalsContact C-N 3.28Å; M135-I164 HydrophobicContact CB-CG2 4.48Å; M135-I164 CarbonylContact O-C 3.46Å; M135-I164 VanDerWaalsContact O-CA 3.27Å; M135-I164 WeakPolarHBondContact O-CA 2.98Å; M135-M165 HydrophobicContact CB-CB 4.44Å; M135-M165 HydrophobicContact CE-CB 3.99Å; M135-M165 WeakPolarHBondContact CE-O 3.31Å; M135-M165 PolarHBondContact O-N 3.48Å; M135-D167 VanDerWaalsContact CE-OD1 3.31Å; M135-D167 WeakPolarHBondContact CE-OD1 3.49Å
136V95.6Very high96.4Very high2 Ų243.1 Ų43.11%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-111.8126.5177.4176.40000109.7N68 F72 C131 H132 H134 F159 N163N68-V136 HydrophobicContact CB-CG1 4.29Å; N68-V136 HydrophobicContact CB-CG2 4.19Å; F72-V136 HydrophobicContact CE1-CB 4.44Å; F72-V136 HydrophobicContact CE1-CG2 4.24Å; F72-V136 HydrophobicContact CE2-CG1 4.39Å; F72-V136 HydrophobicContact CZ-CB 3.73Å; F72-V136 HydrophobicContact CZ-CG1 3.84Å; F72-V136 HydrophobicContact CZ-CG2 3.81Å; C131-V136 CarbonylContact C-O 3.52Å; C131-V136 WeakPolarHBondContact CB-O 3.38Å; C131-V136 PolarHBondContact O-N 3.18Å; C131-V136 VanDerWaalsContact O-O 3.14Å; H132-V136 PolarHBondContact CD2-O 3.46Å; H134-V136 PolarHBondContact O-N 2.9Å; V136-F159 HydrophobicContact CG1-CD1 4.47Å; V136-N163 WeakPolarHBondContact CA-O 3.36Å
137V95.3Very high96.4Very high32 Ų3242.7 Ų42.719%0.19420%0.2CC..EExtended strand (participates in β ladder)trans-102.1134.2169.859.50000110.1R139 S162 N163 M165 M171V137-R139 HydrophobicContact CB-CG 4.25Å; V137-R139 HydrophobicContact CG1-CG 3.75Å; V137-R139 HydrophobicContact CG2-CG 3.7Å; V137-S162 CarbonylContact O-C 3.18Å; V137-S162 WeakPolarHBondContact O-CA 3.38Å; V137-S162 WeakPolarHBondContact O-CB 3.49Å; V137-N163 HydrophobicContact CG1-CB 4.5Å; V137-N163 PolarHBondContact N-O 3.33Å; V137-N163 PolarHBondContact O-N 2.87Å; V137-M165 HydrophobicContact CB-CG 4.18Å; V137-M165 HydrophobicContact CB-SD 4.12Å; V137-M165 HydrophobicContact CG1-CG 4.02Å; V137-M171 HydrophobicContact CG1-CE 3.75Å; V137-M171 HydrophobicContact CG1-SD 3.65Å
138H95.4Very high96.4Very high7 Ų742.7 Ų42.73%0.03220%0.2CC..  trans-72.9-46.3-176.8-171.6-88.3000113.3D140 L141 A157 D158 F159 L161 S162H138-D140 PolarHBondContact CE1-O 3.41Å; H138-D140 VanDerWaalsContact CE1-O 3.27Å; H138-D140 PolarHBondContact ND1-N 3.15Å; H138-D140 PolarHBondContact ND1-O 2.95Å; H138-D140 PolarHBondContact O-N 3.45Å; H138-L141 HydrophobicContact CB-CD1 4.31Å; H138-L141 HydrophobicContact CB-CD2 4.25Å; H138-L141 HydrophobicContact CB-CG 3.92Å; H138-L141 PolarHBondContact ND1-N 3.47Å; H138-A157 PolarHBondContact NE2-O 2.91Å; H138-D158 PolarHBondContact CE1-O 2.95Å; H138-D158 PolarHBondContact NE2-O 2.94Å; H138-D158 VanDerWaalsContact NE2-O 3.15Å; H138-F159 AromaticContact CD2-CD1 3.68Å; H138-F159 AromaticContact CD2-CE1 3.57Å; H138-F159 AromaticContact CD2-CE2 3.94Å; H138-F159 AromaticContact CD2-CG 3.92Å; H138-F159 AromaticContact CD2-CZ 3.72Å; H138-L161 CarbonylContact O-C 3.43Å; H138-S162 WeakPolarHBondContact O-CA 3.4Å; H138-S162 PolarHBondContact O-N 2.97Å
139R94.3Very high96.4Very high53 Ų5343.3 Ų43.320%0.220%0.202CC..SBendtrans65.9-1.5178.5-52.4-166.9-621634.5118.2V137 L161 C175V137-R139 HydrophobicContact CB-CG 4.25Å; V137-R139 HydrophobicContact CG1-CG 3.75Å; V137-R139 HydrophobicContact CG2-CG 3.7Å; R139-L161 PolarHBondContact NE-O 3.16Å; R139-L161 PolarHBondContact NH2-O 3.33Å; R139-C175 PolarHBondContact NH1-SG 3.47Å
140D93.8Very high96.3Very high15 Ų1544.2 Ų44.28%0.0822%0.219CC..  trans-140.349.4170.5-162.339.1000111.7H138 K142 N145 L161 G176 S177H138-D140 PolarHBondContact CE1-O 3.41Å; H138-D140 VanDerWaalsContact CE1-O 3.27Å; H138-D140 PolarHBondContact ND1-N 3.15Å; H138-D140 PolarHBondContact ND1-O 2.95Å; H138-D140 PolarHBondContact O-N 3.45Å; D140-K142 PolarHBondContact O-N 2.8Å; D140-K142 WeakPolarHBondContact OD2-CE 3.28Å; D140-K142 IonicContact OD2-NZ 2.84Å; D140-N145 PolarHBondContact O-ND2 3.49Å; D140-N145 PolarHBondContact OD2-ND2 3.31Å; D140-L161 HydrophobicContact CB-CB 4.31Å; D140-L161 HydrophobicContact CB-CD1 3.85Å; D140-G176 WeakPolarHBondContact OD1-CA 3.46Å; D140-S177 PolarHBondContact OD1-N 3.17Å; D140-S177 PolarHBondContact OD1-OG 3.09Å
141L96.5Very high96.2Very high61 Ų6152 Ų5232%0.31925%0.248SC..  trans-75.1119.2175.4-74.6167.7000109.7V128 H138 I156V128-L141 HydrophobicContact CG1-CD1 4.43Å; V128-L141 HydrophobicContact CG2-CD1 3.51Å; V128-L141 HydrophobicContact CG2-CD2 4.28Å; H138-L141 HydrophobicContact CB-CD1 4.31Å; H138-L141 HydrophobicContact CB-CD2 4.25Å; H138-L141 HydrophobicContact CB-CG 3.92Å; H138-L141 PolarHBondContact ND1-N 3.47Å; L141-I156 HydrophobicContact CD2-CD1 4.43Å; L141-I156 HydrophobicContact CD2-CG2 3.91Å
142K95.8Very high96.2Very high38 Ų3854.8 Ų54.817%0.16526%0.263CS..SBendtrans-159.1158.6179.259.6-178.8174.5175.20109.6D140 E144 N145 L146 S177 Y180D140-K142 PolarHBondContact O-N 2.8Å; D140-K142 WeakPolarHBondContact OD2-CE 3.28Å; D140-K142 IonicContact OD2-NZ 2.84Å; K142-E144 WeakPolarHBondContact CB-OE2 3.37Å; K142-E144 HydrophobicContact CD-CB 4.35Å; K142-E144 WeakPolarHBondContact CD-OE2 3.31Å; K142-E144 HydrophobicContact CG-CB 4.29Å; K142-E144 WeakPolarHBondContact CG-OE2 3.46Å; K142-E144 PolarHBondContact O-N 3.18Å; K142-E144 VanDerWaalsContact O-N 3.09Å; K142-N145 VanDerWaalsContact CE-ND2 3.34Å; K142-N145 WeakPolarHBondContact CE-ND2 3.49Å; K142-N145 HydrophobicContact CG-CB 4.13Å; K142-N145 PolarHBondContact O-N 3.17Å; K142-L146 WeakPolarHBondContact O-CG 3.23Å; K142-L146 PolarHBondContact O-N 2.82Å; K142-S177 WeakPolarHBondContact CD-OG 3.45Å; K142-S177 WeakPolarHBondContact CE-OG 3.35Å; K142-S177 PolarHBondContact NZ-OG 2.91Å; K142-Y180 HydrophobicContact CB-CD1 4.22Å; K142-Y180 HydrophobicContact CB-CD2 3.55Å; K142-Y180 HydrophobicContact CB-CE1 4.28Å; K142-Y180 HydrophobicContact CB-CE2 3.59Å; K142-Y180 HydrophobicContact CB-CG 3.87Å; K142-Y180 HydrophobicContact CD-CD2 4.33Å; K142-Y180 HydrophobicContact CD-CE2 4.36Å
143P96.4Very high96.3Very high25 Ų2553 Ų5316%0.16226%0.256CS..G310 helixtrans-53.7-28.6-178.6-27.336.7000115.3L102 F103 N145 L146 Y180L102-P143 PolarHBondContact N-O 2.89Å; F103-P143 HydrophobicContact CB-CB 3.81Å; F103-P143 HydrophobicContact CD2-CB 4.14Å; F103-P143 HydrophobicContact CG-CB 4.5Å; F103-P143 PolarHBondContact N-O 3.18Å; P143-N145 VanDerWaalsContact C-N 3.34Å; P143-L146 PolarHBondContact O-N 3.02Å; P143-L146 VanDerWaalsContact O-O 3.12Å; P143-Y180 VanDerWaalsContact CD-CZ 3.46Å; P143-Y180 VanDerWaalsContact CD-OH 3.28Å; P143-Y180 WeakPolarHBondContact CD-OH 3.37Å; P143-Y180 HydrophobicContact CG-CE1 4.36Å
144E94.6Very high96.4Very high57 Ų5744.4 Ų44.427%0.26622%0.223SC..G310 helixtrans-70.8-28.7176.6-54.895.1124.300112.5F103 K142 L146F103-E144 HydrophobicContact CB-CG 4.06Å; F103-E144 HydrophobicContact CD2-CG 4.27Å; F103-E144 HydrophobicContact CG-CG 4.1Å; K142-E144 WeakPolarHBondContact CB-OE2 3.37Å; K142-E144 HydrophobicContact CD-CB 4.35Å; K142-E144 WeakPolarHBondContact CD-OE2 3.31Å; K142-E144 HydrophobicContact CG-CB 4.29Å; K142-E144 WeakPolarHBondContact CG-OE2 3.46Å; K142-E144 PolarHBondContact O-N 3.18Å; K142-E144 VanDerWaalsContact O-N 3.09Å; E144-L146 VanDerWaalsContact C-N 3.33Å
145N96Very high96.5Very high16 Ų1641.6 Ų41.69%0.08621%0.21CC..G310 helixtrans-94.39.7176.4-71.5-16.5000112.4D140 K142 P143 A157D140-N145 PolarHBondContact O-ND2 3.49Å; D140-N145 PolarHBondContact OD2-ND2 3.31Å; K142-N145 VanDerWaalsContact CE-ND2 3.34Å; K142-N145 WeakPolarHBondContact CE-ND2 3.49Å; K142-N145 HydrophobicContact CG-CB 4.13Å; K142-N145 PolarHBondContact O-N 3.17Å; P143-N145 VanDerWaalsContact C-N 3.34Å; N145-A157 PolarHBondContact O-N 3.21Å
146L98Very high96.7Very high11 Ų1138.4 Ų38.46%0.05820%0.195CC..EExtended strand (participates in β ladder)trans-113113.8174.8-63.8174000107.7L102 I124 K142 P143 E144 V154 I156L102-L146 HydrophobicContact CB-CB 3.93Å; L102-L146 WeakPolarHBondContact CB-O 3.18Å; L102-L146 HydrophobicContact CD2-CB 4.06Å; L102-L146 HydrophobicContact CD2-CD1 3.83Å; L102-L146 PolarHBondContact N-O 2.94Å; I124-L146 HydrophobicContact CD1-CD1 3.56Å; I124-L146 HydrophobicContact CG1-CD1 3.94Å; I124-L146 HydrophobicContact CG1-CD2 4.17Å; K142-L146 WeakPolarHBondContact O-CG 3.23Å; K142-L146 PolarHBondContact O-N 2.82Å; P143-L146 PolarHBondContact O-N 3.02Å; P143-L146 VanDerWaalsContact O-O 3.12Å; E144-L146 VanDerWaalsContact C-N 3.33Å; L146-V154 HydrophobicContact CB-CG1 4.19Å; L146-V154 HydrophobicContact CD2-CG1 3.95Å; L146-I156 HydrophobicContact CD2-CB 4.4Å; L146-I156 HydrophobicContact CD2-CG1 3.76Å
147L98.1Very high96.7Very high40 Ų4039 Ų3921%0.20920%0.2CC..EExtended strand (participates in β ladder)trans-100.9157.2-179.7-55.5-179.9000111I78 V97 G100 E101 V154 K155 A157I78-L147 HydrophobicContact CD1-CD1 4.26Å; I78-L147 HydrophobicContact CG1-CD1 4.36Å; V97-L147 HydrophobicContact CG2-CB 3.46Å; V97-L147 VanDerWaalsContact CG2-CB 3.46Å; V97-L147 HydrophobicContact CG2-CD1 3.68Å; V97-L147 HydrophobicContact CG2-CG 4.21Å; G100-L147 CarbonylContact O-C 3.56Å; G100-L147 VanDerWaalsContact O-CA 3.26Å; G100-L147 WeakPolarHBondContact O-CA 3.26Å; E101-L147 HydrophobicContact CG-CD2 3.89Å; L147-V154 CarbonylContact O-C 3.55Å; L147-V154 WeakPolarHBondContact O-CA 3.47Å; L147-K155 HydrophobicContact CB-CB 4.48Å; L147-K155 PolarHBondContact N-O 3.31Å; L147-K155 PolarHBondContact O-N 3.13Å; L147-A157 HydrophobicContact CD1-CB 3.83Å; L147-A157 HydrophobicContact CG-CB 3.94Å
148L98.4Very high96.5Very high0 Ų040.1 Ų40.10%021%0.205CC..EExtended strand (participates in β ladder)trans-110.7137.5175.6-63.9176.8000110.7V97 G99 G100 L102 Y105 F120 N153 V154V97-L148 WeakPolarHBondContact CB-O 3.48Å; G99-L148 WeakPolarHBondContact CA-O 3.27Å; G99-L148 PolarHBondContact N-O 3.47Å; G100-L148 PolarHBondContact O-N 2.89Å; L102-L148 HydrophobicContact CD1-CD1 4.22Å; L102-L148 HydrophobicContact CD1-CD2 4.33Å; Y105-L148 HydrophobicContact CD2-CD1 3.52Å; Y105-L148 HydrophobicContact CE2-CD1 4.12Å; Y105-L148 HydrophobicContact CG-CD1 3.74Å; F120-L148 HydrophobicContact CE1-CD2 4.28Å; F120-L148 HydrophobicContact CZ-CD2 4.5Å; L148-N153 WeakPolarHBondContact CA-O 3.41Å; L148-V154 HydrophobicContact CD2-CG2 3.91Å
149D97.6Very high96.4Very high33 Ų3339.9 Ų39.918%0.17620%0.203CC..  trans-80.8-178.5167.277.97.6000112.1V97 R151 N152 N153V97-D149 HydrophobicContact CB-CB 4.42Å; V97-D149 HydrophobicContact CG1-CB 4.24Å; D149-R151 PolarHBondContact O-N 3.42Å; D149-R151 VanDerWaalsContact O-N 3.08Å; D149-R151 VanDerWaalsContact OD1-C 3.29Å; D149-R151 VanDerWaalsContact OD1-CA 3.31Å; D149-R151 WeakPolarHBondContact OD1-CA 3.49Å; D149-R151 PolarHBondContact OD1-N 3.36Å; D149-N152 PolarHBondContact O-N 2.74Å; D149-N152 VanDerWaalsContact O-N 3.1Å; D149-N152 PolarHBondContact OD1-N 3.03Å; D149-N152 VanDerWaalsContact OD1-N 3.09Å; D149-N153 PolarHBondContact N-O 3.17Å; D149-N153 PolarHBondContact OD1-N 3.3Å; D149-N153 PolarHBondContact OD1-ND2 3.36Å; D149-N153 WeakPolarHBondContact OD2-CB 3.42Å; D149-N153 PolarHBondContact OD2-ND2 3.29Å
150A96.6Very high96.2Very high84 Ų8437.5 Ų37.569%0.69420%0.195SC*.THydrogen-bonded Turntrans-63.6-12.618000000114.5
151R97Very high96Very high211 Ų21138.9 Ų38.980%0.79620%0.202SC*.THydrogen-bonded Turntrans-111.413.4179.3-54.3-179.2-164.9-174.84.4111.7D149 N153D149-R151 PolarHBondContact O-N 3.42Å; D149-R151 VanDerWaalsContact O-N 3.08Å; D149-R151 VanDerWaalsContact OD1-C 3.29Å; D149-R151 VanDerWaalsContact OD1-CA 3.31Å; D149-R151 WeakPolarHBondContact OD1-CA 3.49Å; D149-R151 PolarHBondContact OD1-N 3.36Å; R151-N153 VanDerWaalsContact C-N 3.28Å; R151-N153 PolarHBondContact O-N 2.77Å
152N96.7Very high95.8Very high61 Ų6136 Ų3633%0.32619%0.187SC..  trans59.330.8-174.5-59.7-30.8000114.3F120 D149F120-N152 HydrophobicContact CE1-CB 4.16Å; F120-N152 VanDerWaalsContact CE1-O 3.27Å; F120-N152 WeakPolarHBondContact CE1-O 3.4Å; F120-N152 HydrophobicContact CZ-CB 4.42Å; D149-N152 PolarHBondContact O-N 2.74Å; D149-N152 VanDerWaalsContact O-N 3.1Å; D149-N152 PolarHBondContact OD1-N 3.03Å; D149-N152 VanDerWaalsContact OD1-N 3.09Å
153N98.5Very high95.6Very high43 Ų4335.9 Ų35.923%0.2319%0.188CC..  trans-81.5136.4166-54.5-63.7000110.1Q123 L148 D149 R151Q123-N153 PolarHBondContact NE2-OD1 2.91Å; Q123-N153 VanDerWaalsContact NE2-OD1 3.09Å; L148-N153 WeakPolarHBondContact CA-O 3.41Å; D149-N153 PolarHBondContact N-O 3.17Å; D149-N153 PolarHBondContact OD1-N 3.3Å; D149-N153 PolarHBondContact OD1-ND2 3.36Å; D149-N153 WeakPolarHBondContact OD2-CB 3.42Å; D149-N153 PolarHBondContact OD2-ND2 3.29Å; R151-N153 VanDerWaalsContact C-N 3.28Å; R151-N153 PolarHBondContact O-N 2.77Å
154V98.7Very high95.3Very high0 Ų038.3 Ų38.30%020%0.2CC..EExtended strand (participates in β ladder)trans-72.9139.4177.7-179.40000111H76 F120 Q123 I124 L146 L147 L148H76-V154 VanDerWaalsContact CA-O 3.32Å; H76-V154 WeakPolarHBondContact CA-O 3.34Å; H76-V154 WeakPolarHBondContact CB-O 3.43Å; H76-V154 PolarHBondContact ND1-O 3.23Å; F120-V154 HydrophobicContact CB-CG2 3.94Å; F120-V154 HydrophobicContact CD1-CG2 3.84Å; F120-V154 HydrophobicContact CG-CG2 4.07Å; Q123-V154 HydrophobicContact CB-CB 4.09Å; Q123-V154 HydrophobicContact CB-CG2 4.45Å; I124-V154 HydrophobicContact CG1-CB 4.37Å; I124-V154 HydrophobicContact CG1-CG1 3.7Å; I124-V154 HydrophobicContact CG1-CG2 4.4Å; L146-V154 HydrophobicContact CB-CG1 4.19Å; L146-V154 HydrophobicContact CD2-CG1 3.95Å; L147-V154 CarbonylContact O-C 3.55Å; L147-V154 WeakPolarHBondContact O-CA 3.47Å; L148-V154 HydrophobicContact CD2-CG2 3.91Å
155K98.6Very high95.2Very high17 Ų1738.5 Ų38.57%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-132.8114.7175.6-68.9-88.2-169.81720109.5P75 I78 E95 V97 L147 A157P75-K155 WeakPolarHBondContact O-CD 3.17Å; P75-K155 WeakPolarHBondContact O-CE 3.33Å; P75-K155 PolarHBondContact O-NZ 3.26Å; I78-K155 HydrophobicContact CD1-CB 3.65Å; I78-K155 HydrophobicContact CD1-CD 4.3Å; I78-K155 HydrophobicContact CD1-CG 4.22Å; I78-K155 HydrophobicContact CG1-CB 4Å; E95-K155 VanDerWaalsContact OE1-CE 3.31Å; E95-K155 WeakPolarHBondContact OE1-CE 3.47Å; E95-K155 IonicContact OE1-NZ 2.7Å; E95-K155 PolarHBondContact OE1-NZ 3.46Å; E95-K155 IonicContact OE2-NZ 3.87Å; E95-K155 PolarHBondContact OE2-NZ 3.06Å; V97-K155 HydrophobicContact CG1-CG 4.12Å; L147-K155 HydrophobicContact CB-CB 4.48Å; L147-K155 PolarHBondContact N-O 3.31Å; L147-K155 PolarHBondContact O-N 3.13Å; K155-A157 PolarHBondContact O-N 2.93Å
156I98.4Very high94.9Very high1 Ų141.1 Ų41.11%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-69.1129.1175.4-57.5169.9000109.1H76 I78 V128 L141 L146 F159H76-I156 WeakPolarHBondContact O-CG1 3.45Å; H76-I156 PolarHBondContact O-N 2.86Å; I78-I156 PolarHBondContact N-O 3.43Å; V128-I156 HydrophobicContact CG2-CD1 3.92Å; L141-I156 HydrophobicContact CD2-CD1 4.43Å; L141-I156 HydrophobicContact CD2-CG2 3.91Å; L146-I156 HydrophobicContact CD2-CB 4.4Å; L146-I156 HydrophobicContact CD2-CG1 3.76Å; I156-F159 HydrophobicContact CG2-CE2 3.91Å; I156-F159 HydrophobicContact CG2-CZ 3.92Å
157A95.6Very high94.3Very high14 Ų1447.2 Ų47.212%0.11625%0.25CS..  trans-124.8171.6-179.200000111.6I78 H138 N145 L147 K155I78-A157 HydrophobicContact CG1-CB 3.92Å; H138-A157 PolarHBondContact NE2-O 2.91Å; N145-A157 PolarHBondContact O-N 3.21Å; L147-A157 HydrophobicContact CD1-CB 3.83Å; L147-A157 HydrophobicContact CG-CB 3.94Å; K155-A157 PolarHBondContact O-N 2.93Å
158D91.8Very high93.7Very high56 Ų5649 Ų4930%0.29928%0.278SS..  trans5575.1175.8-157.911.8000117.4K46 H138 G160K46-D158 IonicContact NZ-OD1 2.75Å; K46-D158 PolarHBondContact NZ-OD1 3.03Å; H138-D158 PolarHBondContact CE1-O 2.95Å; H138-D158 PolarHBondContact NE2-O 2.94Å; H138-D158 VanDerWaalsContact NE2-O 3.15Å; D158-G160 PolarHBondContact O-N 2.93Å; D158-G160 VanDerWaalsContact O-N 3.16Å; D158-G160 PolarHBondContact OD1-N 3.34Å
159F93.6Very high93.2Very high2 Ų255.4 Ų55.41%0.00931%0.308CS..G310 helixtrans-81.718.6175-74.8-103.9000113.4E65 L69 F72 I77 V136 H138 I156 L161 S162E65-F159 HydrophobicContact CG-CB 4.1Å; L69-F159 HydrophobicContact CD1-CB 4.49Å; L69-F159 HydrophobicContact CD2-CB 4.3Å; L69-F159 HydrophobicContact CD2-CD2 3.59Å; L69-F159 HydrophobicContact CD2-CE2 4.06Å; L69-F159 HydrophobicContact CD2-CG 3.97Å; L69-F159 HydrophobicContact CG-CB 4.25Å; L69-F159 HydrophobicContact CG-CD2 4.43Å; L69-F159 HydrophobicContact CG-CG 4.4Å; F72-F159 HydrophobicContact CD2-CE1 4.22Å; F72-F159 HydrophobicContact CD2-CZ 4.23Å; F72-F159 AromaticContact CE2-CD1 3.92Å; F72-F159 HydrophobicContact CE2-CD1 3.92Å; F72-F159 AromaticContact CE2-CE1 3.43Å; F72-F159 HydrophobicContact CE2-CE1 3.43Å; F72-F159 VanDerWaalsContact CE2-CE1 3.43Å; F72-F159 AromaticContact CE2-CZ 3.88Å; F72-F159 HydrophobicContact CE2-CZ 3.88Å; F72-F159 HydrophobicContact CZ-CE1 4.31Å; I77-F159 HydrophobicContact CG2-CE2 3.8Å; I77-F159 HydrophobicContact CG2-CZ 3.85Å; V136-F159 HydrophobicContact CG1-CD1 4.47Å; H138-F159 AromaticContact CD2-CD1 3.68Å; H138-F159 AromaticContact CD2-CE1 3.57Å; H138-F159 AromaticContact CD2-CE2 3.94Å; H138-F159 AromaticContact CD2-CG 3.92Å; H138-F159 AromaticContact CD2-CZ 3.72Å; I156-F159 HydrophobicContact CG2-CE2 3.91Å; I156-F159 HydrophobicContact CG2-CZ 3.92Å; F159-L161 PolarHBondContact O-N 3.03Å; F159-S162 VanDerWaalsContact O-CB 3.23Å; F159-S162 WeakPolarHBondContact O-CB 3.46Å; F159-S162 PolarHBondContact O-N 3.43Å; F159-S162 PolarHBondContact O-OG 3.06Å
160G89.6Confident92.6Very high3 Ų362.5 Ų62.53%0.03134%0.338CS..G310 helixtrans-63-22.6-176.600000114.5E65 D158E65-G160 WeakPolarHBondContact OE2-CA 3.14Å; D158-G160 PolarHBondContact O-N 2.93Å; D158-G160 VanDerWaalsContact O-N 3.16Å; D158-G160 PolarHBondContact OD1-N 3.34Å
161L88.9Confident92.1Very high43 Ų4361.9 Ų61.923%0.22532%0.321CS..G310 helixtrans-1022172.4-64.9-178.4000113.3H138 R139 D140 F159 C175H138-L161 CarbonylContact O-C 3.43Å; R139-L161 PolarHBondContact NE-O 3.16Å; R139-L161 PolarHBondContact NH2-O 3.33Å; D140-L161 HydrophobicContact CB-CB 4.31Å; D140-L161 HydrophobicContact CB-CD1 3.85Å; F159-L161 PolarHBondContact O-N 3.03Å; L161-C175 HydrophobicContact CD1-CB 4.38Å; L161-C175 HydrophobicContact CD2-CB 4.43Å
162S92.2Very high91.3Very high1 Ų160.8 Ų60.81%0.00732%0.317CS..  trans-64.7157.3-179.271.30000113.1R64 N68 V137 H138 F159R64-S162 PolarHBondContact NE-O 3.47Å; R64-S162 PolarHBondContact NH2-O 2.9Å; N68-S162 PolarHBondContact ND2-OG 3.27Å; V137-S162 CarbonylContact O-C 3.18Å; V137-S162 WeakPolarHBondContact O-CA 3.38Å; V137-S162 WeakPolarHBondContact O-CB 3.49Å; H138-S162 WeakPolarHBondContact O-CA 3.4Å; H138-S162 PolarHBondContact O-N 2.97Å; F159-S162 VanDerWaalsContact O-CB 3.23Å; F159-S162 WeakPolarHBondContact O-CB 3.46Å; F159-S162 PolarHBondContact O-N 3.43Å; F159-S162 PolarHBondContact O-OG 3.06Å
163N91.6Very high90.5Very high35 Ų3562.3 Ų62.319%0.18733%0.329CS..EExtended strand (participates in β ladder)trans-150.4158.9175.8-159.513.5000111.8R64 V136 V137 M171R64-N163 WeakPolarHBondContact CD-OD1 3.32Å; R64-N163 PolarHBondContact NE-OD1 2.99Å; R64-N163 VanDerWaalsContact NE-OD1 3.16Å; R64-N163 PolarHBondContact NH1-OD1 3.21Å; R64-N163 VanDerWaalsContact NH1-OD1 3.09Å; V136-N163 WeakPolarHBondContact CA-O 3.36Å; V137-N163 HydrophobicContact CG1-CB 4.5Å; V137-N163 PolarHBondContact N-O 3.33Å; V137-N163 PolarHBondContact O-N 2.87Å; N163-M171 HydrophobicContact CB-CE 3.42Å; N163-M171 VanDerWaalsContact CB-CE 3.42Å; N163-M171 HydrophobicContact CB-SD 3.89Å; N163-M171 VanDerWaalsContact CG-CE 3.47Å; N163-M171 WeakPolarHBondContact ND2-CE 3.31Å
164I91.7Very high89.6Confident77 Ų7763.6 Ų63.640%0.39534%0.342SS..EExtended strand (participates in β ladder)trans-86.6130.1177.3-61.2174.5000108.1N68 M135 M171N68-I164 WeakPolarHBondContact OD1-CG1 3.38Å; M135-I164 HydrophobicContact CB-CG2 4.48Å; M135-I164 CarbonylContact O-C 3.46Å; M135-I164 VanDerWaalsContact O-CA 3.27Å; M135-I164 WeakPolarHBondContact O-CA 2.98Å; I164-M171 WeakPolarHBondContact O-CE 3.45Å
165M90.9Very high88.9Confident60 Ų6065 Ų6530%0.29635%0.351SS..  trans-79.8123.3170.4-60.2-176.6-65.900107.9H132 M135 V137 M171H132-M165 HydrophobicContact CB-CE 4.24Å; M135-M165 HydrophobicContact CB-CB 4.44Å; M135-M165 HydrophobicContact CE-CB 3.99Å; M135-M165 WeakPolarHBondContact CE-O 3.31Å; M135-M165 PolarHBondContact O-N 3.48Å; V137-M165 HydrophobicContact CB-CG 4.18Å; V137-M165 HydrophobicContact CB-SD 4.12Å; V137-M165 HydrophobicContact CG1-CG 4.02Å; M165-M171 HydrophobicContact CG-CE 4.34Å
166T89.8Confident88.2Confident71 Ų7165.5 Ų65.544%0.43636%0.361SS..  trans-106.6133.2172.6-40.50000107.8G168 E169T166-G168 PolarHBondContact O-N 2.72Å; T166-E169 WeakPolarHBondContact CB-OE2 3.27Å; T166-E169 HydrophobicContact CG2-CG 4.32Å; T166-E169 PolarHBondContact O-N 3.13Å; T166-E169 PolarHBondContact OG1-OE2 3.3Å
167D85.9Confident87.7Confident140 Ų14066.7 Ų66.775%0.74937%0.369SS*.THydrogen-bonded Turntrans-58.7128.5178.1-66.5-26.5000110.7M135 E169M135-D167 VanDerWaalsContact CE-OD1 3.31Å; M135-D167 WeakPolarHBondContact CE-OD1 3.49Å; D167-E169 VanDerWaalsContact C-N 3.32Å; D167-E169 PolarHBondContact O-N 3.24Å
168G86.1Confident87.4Confident77 Ų7770.9 Ų70.979%0.79440%0.396SS*.THydrogen-bonded Turntrans83.9-6.7-176.600000115.5T166T166-G168 PolarHBondContact O-N 2.72Å
169E87.3Confident87.4Confident135 Ų13575.6 Ų75.663%0.63142%0.421SS*.PPolyproline II helixtrans-102.6128.3175.5-64-171.2149.700112.2T166 D167T166-E169 WeakPolarHBondContact CB-OE2 3.27Å; T166-E169 HydrophobicContact CG2-CG 4.32Å; T166-E169 PolarHBondContact O-N 3.13Å; T166-E169 PolarHBondContact OG1-OE2 3.3Å; D167-E169 VanDerWaalsContact C-N 3.32Å; D167-E169 PolarHBondContact O-N 3.24Å
170F85.8Confident87.4Confident181 Ų18180.6 Ų80.679%0.79444%0.44SS*.PPolyproline II helixtrans-94.2135.3174-66.9-84.4000111.4
171M84.4Confident87.5Confident71 Ų7181.7 Ų81.735%0.3545%0.449SS..PPolyproline II helixtrans-82.4123.5172.7-65.1-162.2176.700111V137 N163 I164 M165V137-M171 HydrophobicContact CG1-CE 3.75Å; V137-M171 HydrophobicContact CG1-SD 3.65Å; N163-M171 HydrophobicContact CB-CE 3.42Å; N163-M171 VanDerWaalsContact CB-CE 3.42Å; N163-M171 HydrophobicContact CB-SD 3.89Å; N163-M171 VanDerWaalsContact CG-CE 3.47Å; N163-M171 WeakPolarHBondContact ND2-CE 3.31Å; I164-M171 WeakPolarHBondContact O-CE 3.45Å; M165-M171 HydrophobicContact CG-CE 4.34Å
172R81.2Confident87.6Confident188 Ų18881.4 Ų81.471%0.70945%0.453SS*.  trans-111-9.2179.5-59.9-173.6-176.4-171.2-0.3114.7S174R172-S174 PolarHBondContact O-N 3.13Å; R172-S174 VanDerWaalsContact O-N 3.09Å
173T81Confident87.5Confident93 Ų9386.2 Ų86.257%0.57148%0.484SS*.  trans-70.9109.8-176.9-47.50000110.1C175T173-C175 PolarHBondContact O-N 2.98Å
174S79.3Confident87.3Confident71 Ų7190.3 Ų90.350%0.49750%0.502SS..  trans-62.2114.4168.2-56.80000109.8R172 V185R172-S174 PolarHBondContact O-N 3.13Å; R172-S174 VanDerWaalsContact O-N 3.09Å; S174-V185 WeakPolarHBondContact CB-O 3.19Å; S174-V185 PolarHBondContact OG-O 3.27Å
175C83.6Confident87.1Confident28 Ų2888.9 Ų88.919%0.18950%0.497CS..  trans-151.5166.2175.664.50000110R139 L161 T173R139-C175 PolarHBondContact NH1-SG 3.47Å; L161-C175 HydrophobicContact CD1-CB 4.38Å; L161-C175 HydrophobicContact CD2-CB 4.43Å; T173-C175 PolarHBondContact O-N 2.98Å
176G83.5Confident86.7Confident29 Ų2991.4 Ų91.430%0.29951%0.511SS..SBendtrans101.3171.7-177.300000111.8D140D140-G176 WeakPolarHBondContact OD1-CA 3.46Å
177S88.2Confident86.3Confident25 Ų2591.2 Ų91.218%0.17551%0.512CS..  trans-77.4128.2-176.8-56.60000110.4D140 K142 N179 Y180 A181D140-S177 PolarHBondContact OD1-N 3.17Å; D140-S177 PolarHBondContact OD1-OG 3.09Å; K142-S177 WeakPolarHBondContact CD-OG 3.45Å; K142-S177 WeakPolarHBondContact CE-OG 3.35Å; K142-S177 PolarHBondContact NZ-OG 2.91Å; S177-N179 VanDerWaalsContact C-N 3.31Å; S177-N179 PolarHBondContact O-N 3.2Å; S177-N179 VanDerWaalsContact O-N 3.13Å; S177-Y180 PolarHBondContact O-N 2.95Å; S177-A181 PolarHBondContact O-N 2.79Å; S177-A181 VanDerWaalsContact O-N 3.13Å
178P88.8Confident85.5Confident103 Ų10386.7 Ų86.767%0.66950%0.499SS*.G310 helixtrans-53.6-40.1-168.8-29.834.4000115.4Y180 A181P178-Y180 PolarHBondContact O-N 3.23Å; P178-A181 PolarHBondContact O-N 3.31Å
179N92.7Very high84.1Confident155 Ų15593.1 Ų93.183%0.82951%0.505SS*.G310 helixtrans-69.1-17.1-177.9-63.5-24.2000113.9S177S177-N179 VanDerWaalsContact C-N 3.31Å; S177-N179 PolarHBondContact O-N 3.2Å; S177-N179 VanDerWaalsContact O-N 3.13Å
180Y93.5Very high84Confident107 Ų10791.1 Ų91.142%0.4250%0.498SS..G310 helixtrans-114.2-0-179-56.3-79.8000112K142 P143 S177 P178K142-Y180 HydrophobicContact CB-CD1 4.22Å; K142-Y180 HydrophobicContact CB-CD2 3.55Å; K142-Y180 HydrophobicContact CB-CE1 4.28Å; K142-Y180 HydrophobicContact CB-CE2 3.59Å; K142-Y180 HydrophobicContact CB-CG 3.87Å; K142-Y180 HydrophobicContact CD-CD2 4.33Å; K142-Y180 HydrophobicContact CD-CE2 4.36Å; P143-Y180 VanDerWaalsContact CD-CZ 3.46Å; P143-Y180 VanDerWaalsContact CD-OH 3.28Å; P143-Y180 WeakPolarHBondContact CD-OH 3.37Å; P143-Y180 HydrophobicContact CG-CE1 4.36Å; S177-Y180 PolarHBondContact O-N 2.95Å; P178-Y180 PolarHBondContact O-N 3.23Å
181A90.8Very high83.9Confident26 Ų2686.3 Ų86.322%0.21548%0.483CS..  trans-77.8135.4179.900000110.4S177 P178 V185 I186S177-A181 PolarHBondContact O-N 2.79Å; S177-A181 VanDerWaalsContact O-N 3.13Å; P178-A181 PolarHBondContact O-N 3.31Å; A181-V185 HydrophobicContact CB-CB 4.45Å; A181-V185 HydrophobicContact CB-CG1 4.4Å; A181-I186 HydrophobicContact CB-CD1 4.06Å; A181-I186 HydrophobicContact CB-CG1 3.74Å
182A90.9Very high83.8Confident37 Ų3787.2 Ų87.231%0.30649%0.49SS..  trans-68.6152.7175.400000111E184 V185 I186A182-E184 VanDerWaalsContact C-N 3.27Å; A182-E184 VanDerWaalsContact CB-CD 3.44Å; A182-E184 HydrophobicContact CB-CG 4.42Å; A182-E184 VanDerWaalsContact CB-OE1 3.32Å; A182-E184 WeakPolarHBondContact CB-OE1 3.35Å; A182-E184 WeakPolarHBondContact CB-OE2 3.32Å; A182-E184 PolarHBondContact O-N 3.09Å; A182-V185 HydrophobicContact CB-CG2 4.29Å; A182-V185 WeakPolarHBondContact O-CB 3.46Å; A182-V185 PolarHBondContact O-N 3.49Å; A182-I186 PolarHBondContact O-N 3.1Å
183P90.1Very high84Confident101 Ų10181.2 Ų81.266%0.65648%0.477SS*.Hα-helixtrans-54.2-38.7-176.6-2735.2000114.4V185 I186 S187P183-V185 VanDerWaalsContact C-N 3.29Å; P183-V185 PolarHBondContact O-N 2.88Å; P183-I186 PolarHBondContact O-N 3.15Å; P183-S187 WeakPolarHBondContact O-CB 3.47Å; P183-S187 PolarHBondContact O-N 3.41Å; P183-S187 PolarHBondContact O-OG 3.44Å; P183-S187 VanDerWaalsContact O-OG 3.1Å
184E88.5Confident84.2Confident121 Ų12180.5 Ų80.557%0.56547%0.472SS*.Hα-helixtrans-62.1-35.4176.563.7-84.2-16100112.2A182 S187 G188A182-E184 VanDerWaalsContact C-N 3.27Å; A182-E184 VanDerWaalsContact CB-CD 3.44Å; A182-E184 HydrophobicContact CB-CG 4.42Å; A182-E184 VanDerWaalsContact CB-OE1 3.32Å; A182-E184 WeakPolarHBondContact CB-OE1 3.35Å; A182-E184 WeakPolarHBondContact CB-OE2 3.32Å; A182-E184 PolarHBondContact O-N 3.09Å; E184-S187 WeakPolarHBondContact CA-OG 3.37Å; E184-S187 PolarHBondContact O-OG 3.23Å; E184-G188 PolarHBondContact O-N 3Å
185V86.7Confident84.5Confident47 Ų4781.1 Ų81.129%0.28547%0.47SS..Hα-helixtrans-70.9-39.9177.7-178.40000111.2S174 A181 A182 P183S174-V185 WeakPolarHBondContact CB-O 3.19Å; S174-V185 PolarHBondContact OG-O 3.27Å; A181-V185 HydrophobicContact CB-CB 4.45Å; A181-V185 HydrophobicContact CB-CG1 4.4Å; A182-V185 HydrophobicContact CB-CG2 4.29Å; A182-V185 WeakPolarHBondContact O-CB 3.46Å; A182-V185 PolarHBondContact O-N 3.49Å; P183-V185 VanDerWaalsContact C-N 3.29Å; P183-V185 PolarHBondContact O-N 2.88Å
186I83.1Confident84.6Confident114 Ų11484.9 Ų84.959%0.58549%0.49SS*.Hα-helixtrans-72.9-37.4179.8-58.1172.4000110.6A181 A182 P183 G188A181-I186 HydrophobicContact CB-CD1 4.06Å; A181-I186 HydrophobicContact CB-CG1 3.74Å; A182-I186 PolarHBondContact O-N 3.1Å; P183-I186 PolarHBondContact O-N 3.15Å; I186-G188 VanDerWaalsContact C-N 3.29Å; I186-G188 PolarHBondContact O-N 2.9Å
187S81.7Confident84.7Confident66 Ų6689.2 Ų89.246%0.46251%0.505SS..Hα-helixtrans-74.8-16179.967.40000114.2P183 E184 K189P183-S187 WeakPolarHBondContact O-CB 3.47Å; P183-S187 PolarHBondContact O-N 3.41Å; P183-S187 PolarHBondContact O-OG 3.44Å; P183-S187 VanDerWaalsContact O-OG 3.1Å; E184-S187 WeakPolarHBondContact CA-OG 3.37Å; E184-S187 PolarHBondContact O-OG 3.23Å; S187-K189 PolarHBondContact O-N 3.25Å
188G68.9Low84.4Confident46 Ų4694.6 Ų94.647%0.47453%0.532SS..THydrogen-bonded Turntrans63.722.9177.200000114.1E184 I186E184-G188 PolarHBondContact O-N 3Å; I186-G188 VanDerWaalsContact C-N 3.29Å; I186-G188 PolarHBondContact O-N 2.9Å
189K56.7Low84Confident212 Ų21293.8 Ų93.892%0.92252%0.52SS*.  trans-87.40-179.2-72.6-173.7176.9-178.80112.3S187S187-K189 PolarHBondContact O-N 3.25Å

Retrieved 189 of 189 residues in 40.6 ms (Link to these results)

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