A0A077Z0Y1_TRITR Loading...

glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z0Y1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 408 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M68Low81.8Confident57 Ų5767.5 Ų67.528%0.28134%0.344SS..  0-51.80-56.3-36.4-88.700113.4L4 A5 I55 V74 Y76M1-L4 HydrophobicContact CE-CD2 4.28Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 3.01Å; M1-A5 PolarHBondContact O-N 3Å; M1-I55 HydrophobicContact CB-CG2 4.16Å; M1-I55 HydrophobicContact CE-CB 4.34Å; M1-I55 HydrophobicContact CE-CD1 4.38Å; M1-I55 HydrophobicContact CE-CG1 4.29Å; M1-I55 HydrophobicContact CE-CG2 3.22Å; M1-I55 HydrophobicContact CG-CG2 4.1Å; M1-I55 HydrophobicContact SD-CG2 4.49Å; M1-V74 HydrophobicContact CE-CG1 3.89Å; M1-Y76 HydrophobicContact SD-CD2 4.23Å; M1-Y76 HydrophobicContact SD-CG 4.41Å
2Q77.5Confident82.3Confident161 Ų16166.9 Ų66.975%0.75237%0.368SS*.Hα-helixtrans-52.3-47-178.7-72.1174.7-19.300115.2L4 A5 K6Q2-L4 VanDerWaalsContact C-N 3.31Å; Q2-L4 PolarHBondContact O-N 2.91Å; Q2-A5 PolarHBondContact O-N 3.42Å; Q2-K6 PolarHBondContact O-N 3.1Å
3P78.5Confident82.5Confident68 Ų6864.9 Ų64.944%0.44235%0.354SS..Hα-helixtrans-61.9-39.1176.8-24.535.7000113.1K6 A7 V314P3-K6 PolarHBondContact O-N 3.06Å; P3-A7 PolarHBondContact O-N 2.97Å; P3-V314 HydrophobicContact CB-CG1 4.27Å; P3-V314 HydrophobicContact CB-CG2 3.9Å
4L74.9Confident82.5Confident20 Ų2067.1 Ų67.111%0.10536%0.363CS..Hα-helixtrans-65.9-46177.5178.259.6000111.8M1 Q2 K6 A7 L8 A317 T318 I321M1-L4 HydrophobicContact CE-CD2 4.28Å; M1-L4 WeakPolarHBondContact O-CB 3.34Å; M1-L4 PolarHBondContact O-N 3.01Å; Q2-L4 VanDerWaalsContact C-N 3.31Å; Q2-L4 PolarHBondContact O-N 2.91Å; L4-K6 VanDerWaalsContact C-N 3.27Å; L4-K6 PolarHBondContact O-N 3.03Å; L4-A7 PolarHBondContact O-N 3.47Å; L4-L8 HydrophobicContact CD1-CD1 3.91Å; L4-L8 HydrophobicContact CD1-CG 4.18Å; L4-L8 HydrophobicContact CG-CD1 3.84Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 WeakPolarHBondContact O-CD1 3.47Å; L4-L8 VanDerWaalsContact O-CG 3.29Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.23Å; L4-A317 HydrophobicContact CD1-CB 3.55Å; L4-A317 HydrophobicContact CD2-CB 4.07Å; L4-A317 HydrophobicContact CG-CB 4.44Å; L4-T318 WeakPolarHBondContact CD1-OG1 3.49Å; L4-I321 HydrophobicContact CD1-CD1 4.04Å; L4-I321 HydrophobicContact CD2-CD1 4.05Å; L4-I321 HydrophobicContact CG-CD1 4.35Å
5A78.9Confident82.3Confident2 Ų263.9 Ų63.92%0.01735%0.346CS..Hα-helixtrans-59-42176.600000111.3M1 Q2 L8 M9 V15 I17 I55M1-A5 PolarHBondContact O-N 3Å; Q2-A5 PolarHBondContact O-N 3.42Å; A5-L8 PolarHBondContact O-N 2.81Å; A5-M9 HydrophobicContact CB-CE 4.07Å; A5-M9 WeakPolarHBondContact O-CE 3.45Å; A5-M9 WeakPolarHBondContact O-CG 3.35Å; A5-M9 PolarHBondContact O-N 3.23Å; A5-V15 HydrophobicContact CB-CG1 4.2Å; A5-I17 HydrophobicContact CB-CD1 3.63Å; A5-I17 HydrophobicContact CB-CG1 4.05Å; A5-I55 HydrophobicContact CB-CD1 3.87Å
6K86.5Confident81.9Confident127 Ų12762.9 Ų62.955%0.55234%0.343SS*.Hα-helixtrans-60.4-50.3175.2-170.3-174.4-177.2-151.60111.9Q2 P3 L4 L8 M9 E10Q2-K6 PolarHBondContact O-N 3.1Å; P3-K6 PolarHBondContact O-N 3.06Å; L4-K6 VanDerWaalsContact C-N 3.27Å; L4-K6 PolarHBondContact O-N 3.03Å; K6-L8 VanDerWaalsContact C-N 3.26Å; K6-L8 PolarHBondContact O-N 3.48Å; K6-M9 PolarHBondContact O-N 3.38Å; K6-E10 WeakPolarHBondContact CE-OE1 3.34Å; K6-E10 IonicContact NZ-OE1 3.53Å; K6-E10 PolarHBondContact NZ-OE1 2.86Å; K6-E10 WeakPolarHBondContact O-CG 3.39Å; K6-E10 PolarHBondContact O-N 3.16Å
7A85.4Confident81.4Confident14 Ų1463.6 Ų63.612%0.11635%0.345CS..Hα-helixtrans-61.4-34.2179.900000113P3 L4 S11 V314 T318P3-A7 PolarHBondContact O-N 2.97Å; L4-A7 PolarHBondContact O-N 3.47Å; A7-S11 PolarHBondContact O-N 3.04Å; A7-S11 VanDerWaalsContact O-N 3.07Å; A7-S11 PolarHBondContact O-OG 3.07Å; A7-V314 HydrophobicContact CB-CG1 3.97Å; A7-T318 HydrophobicContact CB-CG2 4.11Å; A7-T318 WeakPolarHBondContact CB-OG1 3.06Å
8L80.7Confident80.7Confident0 Ų061.8 Ų61.80%034%0.335CS..Hα-helixtrans-74.1-38.9176-70.8164.4000112.8L4 A5 K6 E10 S11 G12 H13 V15 L53 I55 T318 I321L4-L8 HydrophobicContact CD1-CD1 3.91Å; L4-L8 HydrophobicContact CD1-CG 4.18Å; L4-L8 HydrophobicContact CG-CD1 3.84Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 WeakPolarHBondContact O-CD1 3.47Å; L4-L8 VanDerWaalsContact O-CG 3.29Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.23Å; A5-L8 PolarHBondContact O-N 2.81Å; K6-L8 VanDerWaalsContact C-N 3.26Å; K6-L8 PolarHBondContact O-N 3.48Å; L8-E10 VanDerWaalsContact C-N 3.33Å; L8-S11 WeakPolarHBondContact O-CB 3.42Å; L8-S11 PolarHBondContact O-N 3.27Å; L8-S11 VanDerWaalsContact O-N 3.14Å; L8-G12 PolarHBondContact O-N 2.87Å; L8-H13 PolarHBondContact O-CD2 3.01Å; L8-H13 PolarHBondContact O-N 3.23Å; L8-V15 HydrophobicContact CB-CG2 3.63Å; L8-L53 HydrophobicContact CD1-CD2 3.52Å; L8-I55 HydrophobicContact CD1-CD1 4.44Å; L8-T318 HydrophobicContact CD2-CG2 4.08Å; L8-T318 HydrophobicContact CG-CG2 4.46Å; L8-I321 HydrophobicContact CD1-CD1 3.77Å; L8-I321 HydrophobicContact CD1-CG2 4.34Å; L8-I321 HydrophobicContact CD2-CB 3.84Å; L8-I321 HydrophobicContact CD2-CD1 4.22Å; L8-I321 HydrophobicContact CD2-CG2 3.45Å; L8-I321 VanDerWaalsContact CD2-CG2 3.45Å
9M89.3Confident80Confident101 Ų10166.4 Ų66.450%0.49835%0.354SS..Hα-helixtrans-63.3-39.9171.4-75-176.5-91.600111.5A5 K6 S11 G12 V15A5-M9 HydrophobicContact CB-CE 4.07Å; A5-M9 WeakPolarHBondContact O-CE 3.45Å; A5-M9 WeakPolarHBondContact O-CG 3.35Å; A5-M9 PolarHBondContact O-N 3.23Å; K6-M9 PolarHBondContact O-N 3.38Å; M9-S11 PolarHBondContact O-N 3.36Å; M9-G12 PolarHBondContact O-N 3.19Å; M9-V15 HydrophobicContact CG-CB 3.95Å; M9-V15 HydrophobicContact CG-CG2 4Å
10E91.8Very high79Confident137 Ų13764.1 Ų64.164%0.6434%0.341SS*.Hα-helixtrans-64.4-26.3173.1-72.4171.2179.200112.5K6 L8 G12K6-E10 WeakPolarHBondContact CE-OE1 3.34Å; K6-E10 IonicContact NZ-OE1 3.53Å; K6-E10 PolarHBondContact NZ-OE1 2.86Å; K6-E10 WeakPolarHBondContact O-CG 3.39Å; K6-E10 PolarHBondContact O-N 3.16Å; L8-E10 VanDerWaalsContact C-N 3.33Å; E10-G12 PolarHBondContact O-N 3.29Å
11S88.5Confident77.9Confident55 Ų5563.7 Ų63.739%0.38535%0.348SS..THydrogen-bonded Turntrans-77.20.1171.4-58.50000113.6A7 L8 M9 N322A7-S11 PolarHBondContact O-N 3.04Å; A7-S11 VanDerWaalsContact O-N 3.07Å; A7-S11 PolarHBondContact O-OG 3.07Å; L8-S11 WeakPolarHBondContact O-CB 3.42Å; L8-S11 PolarHBondContact O-N 3.27Å; L8-S11 VanDerWaalsContact O-N 3.14Å; M9-S11 PolarHBondContact O-N 3.36Å; S11-N322 PolarHBondContact OG-ND2 3.01Å; S11-N322 VanDerWaalsContact OG-ND2 3.09Å
12G87.9Confident77.2Confident61 Ų6161.7 Ų61.763%0.62934%0.338SS*.THydrogen-bonded Turntrans91.710.7177.900000115.6L8 M9 E10L8-G12 PolarHBondContact O-N 2.87Å; M9-G12 PolarHBondContact O-N 3.19Å; E10-G12 PolarHBondContact O-N 3.29Å
13H84.8Confident75.9Confident41 Ų4162 Ų6219%0.1934%0.337CS..  trans-90.1142179.6-58.5-63.5000112.6L8 V15 D52 N322 L325L8-H13 PolarHBondContact O-CD2 3.01Å; L8-H13 PolarHBondContact O-N 3.23Å; H13-V15 HydrophobicContact CB-CG2 4.03Å; H13-V15 PolarHBondContact O-N 3.11Å; H13-D52 WeakPolarHBondContact CA-OD2 3.33Å; H13-D52 HydrophobicContact CB-CB 4.12Å; H13-N322 PolarHBondContact CD2-OD1 2.84Å; H13-N322 PolarHBondContact NE2-OD1 3.14Å; H13-L325 VanDerWaalsContact CE1-CD1 3.44Å; H13-L325 WeakPolarHBondContact CE1-CD1 3.3Å
14M82.9Confident74.4Confident96 Ų9664.7 Ų64.747%0.47334%0.343SS..  trans-77.4100166.4-66.2-173.4-63.600109.7P50 D52 L53M14-P50 HydrophobicContact CE-CB 4.1Å; M14-D52 PolarHBondContact N-OD2 3.37Å; M14-D52 PolarHBondContact O-N 3.32Å; M14-L53 PolarHBondContact O-N 2.83Å
15V79.4Confident73.2Confident18 Ų1869.5 Ų69.511%0.10937%0.365CS..EExtended strand (participates in β ladder)trans-105127.3-177.5-174.80000110.9A5 L8 M9 H13 L53 I55A5-V15 HydrophobicContact CB-CG1 4.2Å; L8-V15 HydrophobicContact CB-CG2 3.63Å; M9-V15 HydrophobicContact CG-CB 3.95Å; M9-V15 HydrophobicContact CG-CG2 4Å; H13-V15 HydrophobicContact CB-CG2 4.03Å; H13-V15 PolarHBondContact O-N 3.11Å; V15-L53 WeakPolarHBondContact CA-O 3.45Å; V15-I55 HydrophobicContact CG1-CD1 3.88Å; V15-I55 HydrophobicContact CG1-CG1 4.27Å
16T75.8Confident71.7Confident48 Ų4874.5 Ų74.529%0.29440%0.398SS..EExtended strand (participates in β ladder)trans-112.5134.6170.4-56.90000110.7L46 L53 V54 I55T16-L46 HydrophobicContact CG2-CD1 3.44Å; T16-L46 VanDerWaalsContact CG2-CD1 3.44Å; T16-L53 PolarHBondContact N-O 2.99Å; T16-L53 VanDerWaalsContact N-O 3.09Å; T16-V54 CarbonylContact O-C 3.54Å; T16-V54 WeakPolarHBondContact O-CA 3.33Å; T16-I55 PolarHBondContact O-N 3.44Å
17I72.5Confident70Confident75 Ų7570 Ų7039%0.38538%0.379SS..EExtended strand (participates in β ladder)trans-100.9120.5173.7-54.9175.9000108.7A5 I55A5-I17 HydrophobicContact CB-CD1 3.63Å; A5-I17 HydrophobicContact CB-CG1 4.05Å; I17-I55 CarbonylContact C-O 3.46Å; I17-I55 WeakPolarHBondContact CA-O 3.44Å; I17-I55 HydrophobicContact CG1-CB 4.39Å; I17-I55 HydrophobicContact CG2-CG2 4.42Å
18L69Low68.4Low31 Ų3176.5 Ų76.516%0.16241%0.407CS..EExtended strand (participates in β ladder)trans-106.6112.3171.2-72.8-177.1000109.4F43 L46 V54 I55 V56 D57L18-F43 HydrophobicContact CD1-CD1 3.83Å; L18-F43 HydrophobicContact CD1-CE1 3.67Å; L18-L46 HydrophobicContact CD1-CB 4.45Å; L18-L46 HydrophobicContact CD1-CD1 3.89Å; L18-L46 HydrophobicContact CD1-CD2 3.39Å; L18-L46 HydrophobicContact CD1-CG 4.09Å; L18-L46 HydrophobicContact CD2-CD1 4.09Å; L18-L46 HydrophobicContact CG-CD1 3.99Å; L18-L46 HydrophobicContact CG-CD2 4.33Å; L18-V54 HydrophobicContact CB-CG1 4.45Å; L18-V54 HydrophobicContact CD1-CG1 3.92Å; L18-V54 HydrophobicContact CG-CG1 4.1Å; L18-I55 PolarHBondContact N-O 2.9Å; L18-V56 WeakPolarHBondContact O-CA 3.33Å; L18-D57 PolarHBondContact O-N 2.86Å
19Q67.4Low67.2Low149 Ų14983.4 Ų83.470%0.69644%0.444SS*.EExtended strand (participates in β ladder)trans-98.7116.4174.3-168.3173.90.300109.8D57Q19-D57 HydrophobicContact CG-CB 4.4Å
20I60.7Low65.7Low20 Ų2082.3 Ų82.310%0.10345%0.451CS..EExtended strand (participates in β ladder)trans-110.895.6177.2-57.6172.7000106.9M39 F43 V56 D57 A61 M65I20-M39 HydrophobicContact CB-CE 4.26Å; I20-M39 HydrophobicContact CD1-CE 3.46Å; I20-M39 VanDerWaalsContact CD1-CE 3.46Å; I20-M39 HydrophobicContact CG1-CE 3.96Å; I20-M39 HydrophobicContact CG2-CE 3.33Å; I20-M39 HydrophobicContact CG2-SD 4.23Å; I20-F43 HydrophobicContact CD1-CE1 4.38Å; I20-F43 HydrophobicContact CD1-CE2 4.23Å; I20-F43 HydrophobicContact CD1-CZ 3.54Å; I20-V56 HydrophobicContact CD1-CG1 3.82Å; I20-V56 HydrophobicContact CG1-CG1 4.5Å; I20-D57 WeakPolarHBondContact CA-O 3.3Å; I20-D57 PolarHBondContact N-O 3.12Å; I20-A61 HydrophobicContact CG2-CB 3.81Å; I20-M65 HydrophobicContact CD1-CG 3.66Å; I20-M65 HydrophobicContact CD1-SD 4.23Å
21A56.1Low64.3Low57 Ų5780.4 Ų80.447%0.47144%0.442SS..EExtended strand (participates in β ladder)trans-114.2108.3172.900000108.9K23A21-K23 PolarHBondContact O-N 3.48Å
22D53.1Low62.9Low15 Ų1578.5 Ų78.58%0.0843%0.429CS..  trans-80.3112.3163.5-71.9-41.9000108.1E24 R35 F60 P62D22-E24 PolarHBondContact O-N 2.75Å; D22-R35 IonicContact OD1-CZ 3.54Å; D22-R35 IonicContact OD1-NE 2.7Å; D22-R35 PolarHBondContact OD1-NE 3.26Å; D22-R35 VanDerWaalsContact OD1-NE 3.07Å; D22-R35 IonicContact OD1-NH2 2.72Å; D22-R35 PolarHBondContact OD1-NH2 3.06Å; D22-F60 PolarHBondContact N-O 3.32Å; D22-P62 HydrophobicContact CB-CG 4.4Å; D22-P62 WeakPolarHBondContact OD2-CD 3.24Å
23K50.2Low61.8Low168 Ų16880.4 Ų80.473%0.7343%0.428SS*.  trans-74.3-2.4179.3-68.3-176.1180177.30113A21 K168A21-K23 PolarHBondContact O-N 3.48Å; K23-K168 PolarHBondContact O-NZ 2.97Å
24E47.2Very low61Low123 Ų12385 Ų8558%0.57545%0.45SS*.SBendtrans-129.6111.5-168.6-66-174.8175.300110.3D22 L27D22-E24 PolarHBondContact O-N 2.75Å; E24-L27 HydrophobicContact CB-CD2 4.44Å
25H49.4Very low60.1Low121 Ų12185.2 Ų85.256%0.5645%0.445SS*.SBendtrans-99.8151.6168.2-94.5-68.8000109F60H25-F60 AromaticContact NE2-CD1 3.93Å
26P47.8Very low59.3Low108 Ų10885.5 Ų85.570%0.70145%0.446SS*.PPolyproline II helixcis-88.3134.9-39.431.4-22.8000110.1
27L49.3Very low58.9Low32 Ų3286.5 Ų86.517%0.16846%0.455CS..PPolyproline II helixtrans-78.5135.5174.7-65.7172.1000109.9E24 Q31E24-L27 HydrophobicContact CB-CD2 4.44Å; L27-Q31 VanDerWaalsContact CA-OE1 3.29Å; L27-Q31 HydrophobicContact CB-CB 3.99Å; L27-Q31 HydrophobicContact CD2-CB 3.93Å; L27-Q31 HydrophobicContact CD2-CG 4.37Å; L27-Q31 HydrophobicContact CG-CB 4.39Å
28H52.3Low58.7Low151 Ų15187.6 Ų87.670%0.69946%0.461SS*.PPolyproline II helixtrans-68.9153.9167.4-86.358.1000109.9A30 Q31 C32H28-A30 PolarHBondContact O-N 2.94Å; H28-Q31 VanDerWaalsContact N-OE1 3.14Å; H28-Q31 WeakPolarHBondContact O-CB 3.36Å; H28-Q31 PolarHBondContact O-N 2.72Å; H28-C32 PolarHBondContact O-N 2.79Å
29D55.9Low58.5Low144 Ų14487.1 Ų87.177%0.7746%0.458SS*.Hα-helixtrans-46.9-37.8-177.7-85.3-7.9000114.3Q31 C32 T33D29-Q31 PolarHBondContact O-N 3.37Å; D29-C32 WeakPolarHBondContact O-CB 3.43Å; D29-C32 PolarHBondContact O-N 3.25Å; D29-T33 PolarHBondContact O-N 3.29Å; D29-T33 PolarHBondContact O-OG1 2.72Å
30A58.4Low58.5Low78 Ų7885.1 Ų85.165%0.64544%0.444SS*.Hα-helixtrans-62.2-42.6177.900000112.6H28 C32 T33H28-A30 PolarHBondContact O-N 2.94Å; A30-C32 VanDerWaalsContact C-N 3.28Å; A30-C32 PolarHBondContact O-N 3.44Å; A30-T33 PolarHBondContact O-N 2.86Å
31Q62.5Low58.8Low97 Ų9787.2 Ų87.245%0.45347%0.465SS..Hα-helixtrans-68.1-31.2177-68.1171.7-33.700111.4L27 H28 D29 T33 R35L27-Q31 VanDerWaalsContact CA-OE1 3.29Å; L27-Q31 HydrophobicContact CB-CB 3.99Å; L27-Q31 HydrophobicContact CD2-CB 3.93Å; L27-Q31 HydrophobicContact CD2-CG 4.37Å; L27-Q31 HydrophobicContact CG-CB 4.39Å; H28-Q31 VanDerWaalsContact N-OE1 3.14Å; H28-Q31 WeakPolarHBondContact O-CB 3.36Å; H28-Q31 PolarHBondContact O-N 2.72Å; D29-Q31 PolarHBondContact O-N 3.37Å; Q31-T33 VanDerWaalsContact C-N 3.28Å; Q31-T33 PolarHBondContact O-N 3.25Å; Q31-R35 WeakPolarHBondContact O-CB 3.47Å; Q31-R35 PolarHBondContact O-N 3.1Å
32C58.6Low59.4Low16 Ų1687.1 Ų87.111%0.10846%0.464CS..Hα-helixtrans-62.7-35173.2-78.30000112.2H28 D29 A30 R35 L36 C63H28-C32 PolarHBondContact O-N 2.79Å; D29-C32 WeakPolarHBondContact O-CB 3.43Å; D29-C32 PolarHBondContact O-N 3.25Å; A30-C32 VanDerWaalsContact C-N 3.28Å; A30-C32 PolarHBondContact O-N 3.44Å; C32-R35 PolarHBondContact O-N 3.06Å; C32-L36 HydrophobicContact CB-CD1 4.15Å; C32-L36 VanDerWaalsContact O-CB 3.29Å; C32-L36 WeakPolarHBondContact O-CB 3.32Å; C32-L36 WeakPolarHBondContact O-CD1 3.43Å; C32-L36 PolarHBondContact O-N 2.94Å; C32-C63 WeakPolarHBondContact CA-SG 3.38Å; C32-C63 HydrophobicContact CB-CB 3.64Å; C32-C63 WeakPolarHBondContact CB-SG 3.44Å; C32-C63 WeakPolarHBondContact SG-CA 3.28Å; C32-C63 WeakPolarHBondContact SG-CB 3.4Å; C32-C63 CovalentContact SG-SG 2.05Å; C32-C63 PolarHBondContact SG-SG 3.21Å
33T65.2Low60.1Low100 Ų10086.8 Ų86.861%0.61346%0.462SS*.Hα-helixtrans-64-47-178.8-56.40000112.5D29 A30 Q31 L36 S37D29-T33 PolarHBondContact O-N 3.29Å; D29-T33 PolarHBondContact O-OG1 2.72Å; A30-T33 PolarHBondContact O-N 2.86Å; Q31-T33 VanDerWaalsContact C-N 3.28Å; Q31-T33 PolarHBondContact O-N 3.25Å; T33-L36 PolarHBondContact O-N 2.73Å; T33-S37 PolarHBondContact O-N 3.35Å; T33-S37 VanDerWaalsContact O-N 3.15Å
34E67Low60.9Low138 Ų13881.3 Ų81.365%0.64545%0.448SS*.Hα-helixtrans-65.6-39.6174.8-174.2-179.4-176.500111.4L36 S37 I38E34-L36 PolarHBondContact O-N 3.38Å; E34-S37 PolarHBondContact O-N 2.8Å; E34-S37 VanDerWaalsContact O-N 3.17Å; E34-S37 PolarHBondContact O-OG 3.41Å; E34-I38 PolarHBondContact O-N 2.9Å
35R64.8Low62.1Low101 Ų10180.7 Ų80.738%0.38145%0.449SS..Hα-helixtrans-65-42.3178.2-158.367.7167.6-174.22.5112.2D22 Q31 C32 S37 I38 M39D22-R35 IonicContact OD1-CZ 3.54Å; D22-R35 IonicContact OD1-NE 2.7Å; D22-R35 PolarHBondContact OD1-NE 3.26Å; D22-R35 VanDerWaalsContact OD1-NE 3.07Å; D22-R35 IonicContact OD1-NH2 2.72Å; D22-R35 PolarHBondContact OD1-NH2 3.06Å; Q31-R35 WeakPolarHBondContact O-CB 3.47Å; Q31-R35 PolarHBondContact O-N 3.1Å; C32-R35 PolarHBondContact O-N 3.06Å; R35-S37 VanDerWaalsContact C-N 3.26Å; R35-S37 PolarHBondContact O-N 2.89Å; R35-I38 PolarHBondContact O-N 3.16Å; R35-M39 WeakPolarHBondContact O-CG 3.37Å; R35-M39 PolarHBondContact O-N 3.21Å
36L63.2Low63Low23 Ų2375.3 Ų75.312%0.1242%0.424CS..Hα-helixtrans-56.2-42.8172.9-10081.7000110.5C32 T33 E34 I38 M39 Y40 C63 Y66C32-L36 HydrophobicContact CB-CD1 4.15Å; C32-L36 VanDerWaalsContact O-CB 3.29Å; C32-L36 WeakPolarHBondContact O-CB 3.32Å; C32-L36 WeakPolarHBondContact O-CD1 3.43Å; C32-L36 PolarHBondContact O-N 2.94Å; T33-L36 PolarHBondContact O-N 2.73Å; E34-L36 PolarHBondContact O-N 3.38Å; L36-I38 PolarHBondContact O-N 3.12Å; L36-M39 CarbonylContact O-C 3.59Å; L36-M39 PolarHBondContact O-N 2.89Å; L36-Y40 HydrophobicContact CB-CD2 4.25Å; L36-Y40 HydrophobicContact CB-CE2 4.32Å; L36-Y40 HydrophobicContact CD2-CE2 4.06Å; L36-Y40 WeakPolarHBondContact O-CB 3.43Å; L36-Y40 WeakPolarHBondContact O-CD2 3.31Å; L36-Y40 PolarHBondContact O-N 2.77Å; L36-C63 HydrophobicContact CD1-CB 3.67Å; L36-Y66 HydrophobicContact CD1-CD2 3.86Å; L36-Y66 HydrophobicContact CD1-CE2 4.11Å; L36-Y66 HydrophobicContact CD2-CD1 3.75Å; L36-Y66 HydrophobicContact CD2-CD2 3.17Å; L36-Y66 HydrophobicContact CD2-CE1 3.98Å; L36-Y66 HydrophobicContact CD2-CE2 3.44Å; L36-Y66 VanDerWaalsContact CD2-CE2 3.44Å; L36-Y66 HydrophobicContact CD2-CG 3.3Å; L36-Y66 HydrophobicContact CG-CD2 3.56Å; L36-Y66 HydrophobicContact CG-CE2 4.14Å; L36-Y66 HydrophobicContact CG-CG 3.9Å
37S66.6Low63.9Low69 Ų6973.5 Ų73.548%0.48341%0.411SS..Hα-helixtrans-64.2-39.6-177.479.40000112.3T33 E34 R35 Y40 A41T33-S37 PolarHBondContact O-N 3.35Å; T33-S37 VanDerWaalsContact O-N 3.15Å; E34-S37 PolarHBondContact O-N 2.8Å; E34-S37 VanDerWaalsContact O-N 3.17Å; E34-S37 PolarHBondContact O-OG 3.41Å; R35-S37 VanDerWaalsContact C-N 3.26Å; R35-S37 PolarHBondContact O-N 2.89Å; S37-Y40 WeakPolarHBondContact O-CB 3.49Å; S37-Y40 PolarHBondContact O-N 2.88Å; S37-A41 PolarHBondContact O-N 2.72Å; S37-A41 VanDerWaalsContact O-N 3.12Å
38I67.1Low65Low99 Ų9975.8 Ų75.851%0.50844%0.435SS..Hα-helixtrans-63.8-45.2173-62.3170.9000110.5E34 R35 L36 Y40 A41 A42E34-I38 PolarHBondContact O-N 2.9Å; R35-I38 PolarHBondContact O-N 3.16Å; L36-I38 PolarHBondContact O-N 3.12Å; I38-Y40 VanDerWaalsContact C-N 3.34Å; I38-Y40 PolarHBondContact O-N 2.7Å; I38-A41 PolarHBondContact O-N 3.38Å; I38-A42 PolarHBondContact O-N 3.41Å; I38-A42 VanDerWaalsContact O-N 3.16Å
39M66.3Low65.9Low20 Ų2071.5 Ų71.510%0.09942%0.419CS..Hα-helixtrans-63.7-41177.8-69.1179.370.800111.4I20 R35 L36 A41 A42 F43I20-M39 HydrophobicContact CB-CE 4.26Å; I20-M39 HydrophobicContact CD1-CE 3.46Å; I20-M39 VanDerWaalsContact CD1-CE 3.46Å; I20-M39 HydrophobicContact CG1-CE 3.96Å; I20-M39 HydrophobicContact CG2-CE 3.33Å; I20-M39 HydrophobicContact CG2-SD 4.23Å; R35-M39 WeakPolarHBondContact O-CG 3.37Å; R35-M39 PolarHBondContact O-N 3.21Å; L36-M39 CarbonylContact O-C 3.59Å; L36-M39 PolarHBondContact O-N 2.89Å; M39-A41 VanDerWaalsContact C-N 3.28Å; M39-A41 PolarHBondContact O-N 2.9Å; M39-A42 PolarHBondContact O-N 2.75Å; M39-A42 VanDerWaalsContact O-N 3.17Å; M39-F43 HydrophobicContact CB-CD2 4.19Å; M39-F43 HydrophobicContact CB-CE2 4.08Å; M39-F43 HydrophobicContact CE-CE2 3.99Å; M39-F43 HydrophobicContact CE-CZ 4.46Å; M39-F43 WeakPolarHBondContact O-CB 3.42Å; M39-F43 WeakPolarHBondContact O-CD2 3.39Å; M39-F43 WeakPolarHBondContact O-CG 3.42Å; M39-F43 PolarHBondContact O-N 2.95Å
40Y65.9Low66.8Low107 Ų10769.7 Ų69.742%0.4242%0.415SS..Hα-helixtrans-55.7-42.2174-92.7-67.8000111.5L36 S37 I38 F43 A44 Y66 V67L36-Y40 HydrophobicContact CB-CD2 4.25Å; L36-Y40 HydrophobicContact CB-CE2 4.32Å; L36-Y40 HydrophobicContact CD2-CE2 4.06Å; L36-Y40 WeakPolarHBondContact O-CB 3.43Å; L36-Y40 WeakPolarHBondContact O-CD2 3.31Å; L36-Y40 PolarHBondContact O-N 2.77Å; S37-Y40 WeakPolarHBondContact O-CB 3.49Å; S37-Y40 PolarHBondContact O-N 2.88Å; I38-Y40 VanDerWaalsContact C-N 3.34Å; I38-Y40 PolarHBondContact O-N 2.7Å; Y40-F43 PolarHBondContact O-N 2.71Å; Y40-A44 WeakPolarHBondContact O-CB 3.19Å; Y40-A44 PolarHBondContact O-N 2.92Å; Y40-Y66 WeakPolarHBondContact CE1-O 3.33Å; Y40-Y66 HydrophobicContact CE2-CD1 4.46Å; Y40-Y66 HydrophobicContact CE2-CG 4.47Å; Y40-Y66 WeakPolarHBondContact OH-CD1 3.36Å; Y40-V67 HydrophobicContact CD1-CG2 3.51Å; Y40-V67 HydrophobicContact CE1-CG2 3.73Å; Y40-V67 HydrophobicContact CG-CG2 4.47Å
41A68.7Low67.6Low65 Ų6567.5 Ų67.554%0.53739%0.39SS..Hα-helixtrans-65.2-44.1176.800000112.2S37 I38 M39 F43 A44 N45S37-A41 PolarHBondContact O-N 2.72Å; S37-A41 VanDerWaalsContact O-N 3.12Å; I38-A41 PolarHBondContact O-N 3.38Å; M39-A41 VanDerWaalsContact C-N 3.28Å; M39-A41 PolarHBondContact O-N 2.9Å; A41-F43 VanDerWaalsContact C-N 3.33Å; A41-F43 PolarHBondContact O-N 3.11Å; A41-A44 PolarHBondContact O-N 3.34Å; A41-N45 PolarHBondContact O-N 2.71Å
42A68.7Low68Low55 Ų5566 Ų6646%0.45539%0.385SS..Hα-helixtrans-61.7-41.2175.900000112I38 M39 L46I38-A42 PolarHBondContact O-N 3.41Å; I38-A42 VanDerWaalsContact O-N 3.16Å; M39-A42 PolarHBondContact O-N 2.75Å; M39-A42 VanDerWaalsContact O-N 3.17Å; A42-L46 PolarHBondContact O-N 3.5Å
43F66.7Low68.5Low7 Ų765.4 Ų65.43%0.03138%0.381CS..Hα-helixtrans-71.5-38.2175.9-74.6-61.6000113.3L18 I20 M39 Y40 A41 N45 L46 T47 M65 V67 L69L18-F43 HydrophobicContact CD1-CD1 3.83Å; L18-F43 HydrophobicContact CD1-CE1 3.67Å; I20-F43 HydrophobicContact CD1-CE1 4.38Å; I20-F43 HydrophobicContact CD1-CE2 4.23Å; I20-F43 HydrophobicContact CD1-CZ 3.54Å; M39-F43 HydrophobicContact CB-CD2 4.19Å; M39-F43 HydrophobicContact CB-CE2 4.08Å; M39-F43 HydrophobicContact CE-CE2 3.99Å; M39-F43 HydrophobicContact CE-CZ 4.46Å; M39-F43 WeakPolarHBondContact O-CB 3.42Å; M39-F43 WeakPolarHBondContact O-CD2 3.39Å; M39-F43 WeakPolarHBondContact O-CG 3.42Å; M39-F43 PolarHBondContact O-N 2.95Å; Y40-F43 PolarHBondContact O-N 2.71Å; A41-F43 VanDerWaalsContact C-N 3.33Å; A41-F43 PolarHBondContact O-N 3.11Å; F43-N45 VanDerWaalsContact C-N 3.28Å; F43-N45 PolarHBondContact O-N 3.26Å; F43-L46 CarbonylContact O-C 3.31Å; F43-L46 WeakPolarHBondContact O-CA 3.32Å; F43-L46 VanDerWaalsContact O-CB 3.31Å; F43-L46 WeakPolarHBondContact O-CB 3.43Å; F43-L46 PolarHBondContact O-N 2.91Å; F43-L46 VanDerWaalsContact O-N 3.13Å; F43-T47 WeakPolarHBondContact O-CG2 2.92Å; F43-T47 PolarHBondContact O-N 3.02Å; F43-T47 PolarHBondContact O-OG1 3Å; F43-M65 HydrophobicContact CZ-CG 4.21Å; F43-V67 HydrophobicContact CB-CB 3.81Å; F43-V67 HydrophobicContact CB-CG1 4.1Å; F43-V67 HydrophobicContact CB-CG2 3.3Å; F43-V67 HydrophobicContact CD1-CB 4.37Å; F43-V67 HydrophobicContact CD2-CB 4.06Å; F43-V67 HydrophobicContact CD2-CG2 3.71Å; F43-V67 HydrophobicContact CG-CB 3.87Å; F43-V67 HydrophobicContact CG-CG2 3.69Å; F43-L69 HydrophobicContact CD1-CD2 4.15Å
44A68.3Low68.5Low53 Ų5360.7 Ų60.744%0.43835%0.352SS..Hα-helixtrans-60.8-42.4175.600000110.3Y40 A41 T47 A48Y40-A44 WeakPolarHBondContact O-CB 3.19Å; Y40-A44 PolarHBondContact O-N 2.92Å; A41-A44 PolarHBondContact O-N 3.34Å; A44-T47 WeakPolarHBondContact CA-OG1 3.27Å; A44-T47 PolarHBondContact O-N 2.85Å; A44-T47 PolarHBondContact O-OG1 3.23Å; A44-A48 WeakPolarHBondContact O-CB 3.45Å; A44-A48 PolarHBondContact O-N 3Å
45N72.1Confident68.5Low111 Ų11154.1 Ų54.159%0.59432%0.321SS*.Hα-helixtrans-61.8-43.6172.9-168.327.9000111.6A41 F43 T47 A48 T49A41-N45 PolarHBondContact O-N 2.71Å; F43-N45 VanDerWaalsContact C-N 3.28Å; F43-N45 PolarHBondContact O-N 3.26Å; N45-T47 VanDerWaalsContact C-N 3.35Å; N45-T47 PolarHBondContact O-N 2.98Å; N45-A48 WeakPolarHBondContact O-CB 3.33Å; N45-A48 PolarHBondContact O-N 3.29Å; N45-A48 VanDerWaalsContact O-N 3.13Å; N45-T49 PolarHBondContact O-N 3.36Å; N45-T49 VanDerWaalsContact O-N 3.15Å; N45-T49 PolarHBondContact O-OG1 2.9Å
46L67Low68.5Low8 Ų849.3 Ų49.34%0.04230%0.303CS..Hα-helixtrans-59-44.5174.8-169.186.6000111.9T16 L18 A42 F43 A48 T49 W51 V54 L69T16-L46 HydrophobicContact CG2-CD1 3.44Å; T16-L46 VanDerWaalsContact CG2-CD1 3.44Å; L18-L46 HydrophobicContact CD1-CB 4.45Å; L18-L46 HydrophobicContact CD1-CD1 3.89Å; L18-L46 HydrophobicContact CD1-CD2 3.39Å; L18-L46 HydrophobicContact CD1-CG 4.09Å; L18-L46 HydrophobicContact CD2-CD1 4.09Å; L18-L46 HydrophobicContact CG-CD1 3.99Å; L18-L46 HydrophobicContact CG-CD2 4.33Å; A42-L46 PolarHBondContact O-N 3.5Å; F43-L46 CarbonylContact O-C 3.31Å; F43-L46 WeakPolarHBondContact O-CA 3.32Å; F43-L46 VanDerWaalsContact O-CB 3.31Å; F43-L46 WeakPolarHBondContact O-CB 3.43Å; F43-L46 PolarHBondContact O-N 2.91Å; F43-L46 VanDerWaalsContact O-N 3.13Å; L46-A48 PolarHBondContact O-N 3.43Å; L46-T49 PolarHBondContact O-N 3.15Å; L46-T49 PolarHBondContact O-OG1 3.07Å; L46-W51 PolarHBondContact O-NE1 3.24Å; L46-V54 HydrophobicContact CD1-CG2 4.12Å; L46-V54 HydrophobicContact CD2-CB 4.25Å; L46-V54 HydrophobicContact CD2-CG1 3.85Å; L46-V54 HydrophobicContact CD2-CG2 3.47Å; L46-V54 VanDerWaalsContact CD2-CG2 3.47Å; L46-V54 HydrophobicContact CG-CG2 4.08Å; L46-L69 HydrophobicContact CD2-CD1 4.31Å; L46-L69 HydrophobicContact CD2-CD2 3.62Å
47T66.5Low68.6Low70 Ų7049.7 Ų49.743%0.42931%0.305SS..Hα-helixtrans-70-21.7177.953.30000113.3F43 A44 N45 L69F43-T47 WeakPolarHBondContact O-CG2 2.92Å; F43-T47 PolarHBondContact O-N 3.02Å; F43-T47 PolarHBondContact O-OG1 3Å; A44-T47 WeakPolarHBondContact CA-OG1 3.27Å; A44-T47 PolarHBondContact O-N 2.85Å; A44-T47 PolarHBondContact O-OG1 3.23Å; N45-T47 VanDerWaalsContact C-N 3.35Å; N45-T47 PolarHBondContact O-N 2.98Å; T47-L69 HydrophobicContact CG2-CD2 4.08Å
48A72.4Confident68.2Low80 Ų8046.5 Ų46.566%0.66128%0.283SS*.Hα-helixtrans-78.9-25.8175.200000112.5A44 N45 L46A44-A48 WeakPolarHBondContact O-CB 3.45Å; A44-A48 PolarHBondContact O-N 3Å; N45-A48 WeakPolarHBondContact O-CB 3.33Å; N45-A48 PolarHBondContact O-N 3.29Å; N45-A48 VanDerWaalsContact O-N 3.13Å; L46-A48 PolarHBondContact O-N 3.43Å
49T71.1Confident67.6Low61 Ų6144 Ų4437%0.37427%0.27SS..SBendtrans-86.8138.4173.753.90000111.4N45 L46 W51N45-T49 PolarHBondContact O-N 3.36Å; N45-T49 VanDerWaalsContact O-N 3.15Å; N45-T49 PolarHBondContact O-OG1 2.9Å; L46-T49 PolarHBondContact O-N 3.15Å; L46-T49 PolarHBondContact O-OG1 3.07Å; T49-W51 PolarHBondContact O-N 3.11Å
50P76.5Confident67Low106 Ų10645.6 Ų45.669%0.68828%0.277SS*.  trans-70129.7171.529-32.7000110.1M14M14-P50 HydrophobicContact CE-CB 4.1Å
51W75.3Confident66.5Low32 Ų3240.7 Ų40.712%0.12126%0.258CS..  trans-142148.3173.947.3-95.2000109.8L46 T49 V54 L69 Q70 Y72L46-W51 PolarHBondContact O-NE1 3.24Å; T49-W51 PolarHBondContact O-N 3.11Å; W51-V54 HydrophobicContact CD2-CG2 3.37Å; W51-V54 HydrophobicContact CE3-CB 4.41Å; W51-V54 HydrophobicContact CE3-CG2 3.49Å; W51-V54 VanDerWaalsContact CE3-CG2 3.49Å; W51-V54 HydrophobicContact CG-CG2 3.84Å; W51-V54 HydrophobicContact CH2-CG2 4.03Å; W51-V54 HydrophobicContact CZ2-CG2 3.97Å; W51-V54 HydrophobicContact CZ3-CB 4.41Å; W51-V54 HydrophobicContact CZ3-CG2 3.8Å; W51-L69 HydrophobicContact CH2-CB 4Å; W51-L69 HydrophobicContact CZ2-CB 4.2Å; W51-L69 HydrophobicContact CZ2-CD2 4.21Å; W51-Q70 WeakPolarHBondContact CH2-O 3.44Å; W51-Q70 VanDerWaalsContact CZ2-O 3.31Å; W51-Q70 WeakPolarHBondContact CZ2-O 3.4Å; W51-Y72 WeakPolarHBondContact CZ3-O 3.43Å
52D70.4Confident65.6Low65 Ų6539.2 Ų39.235%0.34824%0.243SC..SBendtrans-86.6-36.9173.5-62.8-53.9000110.7H13 M14H13-D52 WeakPolarHBondContact CA-OD2 3.33Å; H13-D52 HydrophobicContact CB-CB 4.12Å; M14-D52 PolarHBondContact N-OD2 3.37Å; M14-D52 PolarHBondContact O-N 3.32Å
53L68.8Low64.9Low4 Ų437 Ų372%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-146.6138.2-176.8-170.480.4000112.2L8 M14 V15 T16 I55 Y72 V74 I321L8-L53 HydrophobicContact CD1-CD2 3.52Å; M14-L53 PolarHBondContact O-N 2.83Å; V15-L53 WeakPolarHBondContact CA-O 3.45Å; T16-L53 PolarHBondContact N-O 2.99Å; T16-L53 VanDerWaalsContact N-O 3.09Å; L53-I55 HydrophobicContact CD2-CG1 4.36Å; L53-Y72 WeakPolarHBondContact CA-O 3.31Å; L53-Y72 WeakPolarHBondContact CD1-O 3.33Å; L53-V74 HydrophobicContact CD1-CG2 4.24Å; L53-V74 HydrophobicContact CD2-CG2 4.24Å; L53-I321 HydrophobicContact CD1-CG2 4.29Å; L53-I321 HydrophobicContact CD2-CD1 4.46Å; L53-I321 HydrophobicContact CD2-CG2 3.9Å
54V66Low64Low0 Ų036.9 Ų36.90%023%0.225CC..EExtended strand (participates in β ladder)trans-112.3128169.4175.70000110T16 L18 L46 W51 V56 L69 Y72 F73 V74T16-V54 CarbonylContact O-C 3.54Å; T16-V54 WeakPolarHBondContact O-CA 3.33Å; L18-V54 HydrophobicContact CB-CG1 4.45Å; L18-V54 HydrophobicContact CD1-CG1 3.92Å; L18-V54 HydrophobicContact CG-CG1 4.1Å; L46-V54 HydrophobicContact CD1-CG2 4.12Å; L46-V54 HydrophobicContact CD2-CB 4.25Å; L46-V54 HydrophobicContact CD2-CG1 3.85Å; L46-V54 HydrophobicContact CD2-CG2 3.47Å; L46-V54 VanDerWaalsContact CD2-CG2 3.47Å; L46-V54 HydrophobicContact CG-CG2 4.08Å; W51-V54 HydrophobicContact CD2-CG2 3.37Å; W51-V54 HydrophobicContact CE3-CB 4.41Å; W51-V54 HydrophobicContact CE3-CG2 3.49Å; W51-V54 VanDerWaalsContact CE3-CG2 3.49Å; W51-V54 HydrophobicContact CG-CG2 3.84Å; W51-V54 HydrophobicContact CH2-CG2 4.03Å; W51-V54 HydrophobicContact CZ2-CG2 3.97Å; W51-V54 HydrophobicContact CZ3-CB 4.41Å; W51-V54 HydrophobicContact CZ3-CG2 3.8Å; V54-V56 HydrophobicContact CG1-CG2 3.61Å; V54-L69 HydrophobicContact CB-CD1 4.44Å; V54-L69 HydrophobicContact CG1-CD1 4.29Å; V54-Y72 PolarHBondContact N-O 3.44Å; V54-Y72 VanDerWaalsContact N-O 3.12Å; V54-F73 HydrophobicContact CB-CB 4.24Å; V54-F73 CarbonylContact O-C 3.33Å; V54-F73 WeakPolarHBondContact O-CA 3.47Å; V54-F73 VanDerWaalsContact O-CB 3.28Å; V54-F73 WeakPolarHBondContact O-CB 3.44Å; V54-V74 PolarHBondContact O-N 2.85Å
55I66.8Low63.2Low0 Ų035.2 Ų35.20%021%0.209CC..EExtended strand (participates in β ladder)trans-95.8116169.1-70.1171.2000107.6M1 A5 L8 V15 T16 I17 L18 L53 V74M1-I55 HydrophobicContact CB-CG2 4.16Å; M1-I55 HydrophobicContact CE-CB 4.34Å; M1-I55 HydrophobicContact CE-CD1 4.38Å; M1-I55 HydrophobicContact CE-CG1 4.29Å; M1-I55 HydrophobicContact CE-CG2 3.22Å; M1-I55 HydrophobicContact CG-CG2 4.1Å; M1-I55 HydrophobicContact SD-CG2 4.49Å; A5-I55 HydrophobicContact CB-CD1 3.87Å; L8-I55 HydrophobicContact CD1-CD1 4.44Å; V15-I55 HydrophobicContact CG1-CD1 3.88Å; V15-I55 HydrophobicContact CG1-CG1 4.27Å; T16-I55 PolarHBondContact O-N 3.44Å; I17-I55 CarbonylContact C-O 3.46Å; I17-I55 WeakPolarHBondContact CA-O 3.44Å; I17-I55 HydrophobicContact CG1-CB 4.39Å; I17-I55 HydrophobicContact CG2-CG2 4.42Å; L18-I55 PolarHBondContact N-O 2.9Å; L53-I55 HydrophobicContact CD2-CG1 4.36Å; I55-V74 HydrophobicContact CG1-CB 4.31Å
56V64Low61.8Low0 Ų032.4 Ų32.40%019%0.19CC..EExtended strand (participates in β ladder)trans-106.2119.5178.6-166.40000109.5L18 I20 V54 M65 L69 F73 V74 Y76L18-V56 WeakPolarHBondContact O-CA 3.33Å; I20-V56 HydrophobicContact CD1-CG1 3.82Å; I20-V56 HydrophobicContact CG1-CG1 4.5Å; V54-V56 HydrophobicContact CG1-CG2 3.61Å; V56-M65 HydrophobicContact CB-CE 4.35Å; V56-M65 HydrophobicContact CB-SD 4.22Å; V56-M65 HydrophobicContact CG1-CE 3.96Å; V56-M65 HydrophobicContact CG1-CG 4.46Å; V56-M65 HydrophobicContact CG1-SD 3.35Å; V56-M65 WeakPolarHBondContact CG1-SD 3.5Å; V56-M65 HydrophobicContact CG2-CE 4.41Å; V56-L69 HydrophobicContact CG2-CD1 4.32Å; V56-F73 HydrophobicContact CG2-CB 4.4Å; V56-V74 PolarHBondContact N-O 3.42Å; V56-Y76 PolarHBondContact O-N 3.46Å
57D65Low60.8Low31 Ų3133.6 Ų33.617%0.16620%0.197CC..EExtended strand (participates in β ladder)trans-102.3102.9172.2-174.7-5.5000108.4L18 Q19 I20L18-D57 PolarHBondContact O-N 2.86Å; Q19-D57 HydrophobicContact CG-CB 4.4Å; I20-D57 WeakPolarHBondContact CA-O 3.3Å; I20-D57 PolarHBondContact N-O 3.12Å
58S57.8Low59.7Low2 Ų233.1 Ų33.11%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-121.421.6-170.270.60000112.9F60 A61 M65 D75 Y76 S77S58-F60 PolarHBondContact O-N 3.06Å; S58-A61 PolarHBondContact O-N 3.03Å; S58-A61 VanDerWaalsContact O-N 3.16Å; S58-M65 WeakPolarHBondContact CB-SD 3.44Å; S58-D75 PolarHBondContact OG-OD1 3.46Å; S58-Y76 PolarHBondContact N-O 2.6Å; S58-S77 WeakPolarHBondContact OG-CB 3.26Å; S58-S77 PolarHBondContact OG-OG 3.13Å
59I56.1Low58.5Low47 Ų4729.5 Ų29.524%0.24117%0.17CC..EExtended strand (participates in β ladder)trans-55.1-17.9-165.4-160.1163.4000114.8Y76 T78I59-Y76 HydrophobicContact CD1-CD1 4.39Å; I59-Y76 HydrophobicContact CD1-CE1 3.86Å; I59-T78 HydrophobicContact CD1-CG2 4.36Å; I59-T78 HydrophobicContact CG1-CG2 4.22Å
60F53.9Low57.5Low54 Ų5435.1 Ų35.124%0.23719%0.192CC..EExtended strand (participates in β ladder)trans-143.760.6171.6-62-68.3000112.8D22 H25 S58 P62 A166 F253D22-F60 PolarHBondContact N-O 3.32Å; H25-F60 AromaticContact NE2-CD1 3.93Å; S58-F60 PolarHBondContact O-N 3.06Å; F60-P62 WeakPolarHBondContact O-CD 3.25Å; F60-A166 HydrophobicContact CD2-CB 4.02Å; F60-A166 HydrophobicContact CE2-CB 3.76Å; F60-A166 HydrophobicContact CZ-CB 4.1Å; F60-F253 AromaticContact CE1-CE2 3.89Å; F60-F253 HydrophobicContact CE1-CE2 3.89Å; F60-F253 AromaticContact CE1-CZ 3.55Å; F60-F253 HydrophobicContact CE1-CZ 3.55Å; F60-F253 HydrophobicContact CZ-CE2 4.44Å; F60-F253 AromaticContact CZ-CZ 3.97Å; F60-F253 HydrophobicContact CZ-CZ 3.97Å
61A55.2Low56.3Low3 Ų331.1 Ų31.13%0.02517%0.171CC..  trans-103.283172.700000111.1I20 S58 C63 G64I20-A61 HydrophobicContact CG2-CB 3.81Å; S58-A61 PolarHBondContact O-N 3.03Å; S58-A61 VanDerWaalsContact O-N 3.16Å; A61-C63 PolarHBondContact O-N 2.77Å; A61-G64 WeakPolarHBondContact O-CA 3.1Å; A61-G64 PolarHBondContact O-N 3.21Å
62P49.1Very low55.4Low34 Ų3431.4 Ų31.422%0.22117%0.172CC..THydrogen-bonded Turntrans-61.1-25.3-178.226-35.9000113.4D22 F60 G64 M81D22-P62 HydrophobicContact CB-CG 4.4Å; D22-P62 WeakPolarHBondContact OD2-CD 3.24Å; F60-P62 WeakPolarHBondContact O-CD 3.25Å; P62-G64 PolarHBondContact O-N 3.25Å; P62-M81 WeakPolarHBondContact O-CE 3.42Å
63C53.6Low54.6Low8 Ų828.4 Ų28.45%0.05416%0.156CC..THydrogen-bonded Turntrans-80.9-4.9176-57.10000113C32 L36 A61C32-C63 WeakPolarHBondContact CA-SG 3.38Å; C32-C63 HydrophobicContact CB-CB 3.64Å; C32-C63 WeakPolarHBondContact CB-SG 3.44Å; C32-C63 WeakPolarHBondContact SG-CA 3.28Å; C32-C63 WeakPolarHBondContact SG-CB 3.4Å; C32-C63 CovalentContact SG-SG 2.05Å; C32-C63 PolarHBondContact SG-SG 3.21Å; L36-C63 HydrophobicContact CD1-CB 3.67Å; A61-C63 PolarHBondContact O-N 2.77Å
64G49.1Very low54Low5 Ų528.6 Ų28.65%0.05216%0.157CC..  trans75.7166.9-174.600000113.4A61 P62A61-G64 WeakPolarHBondContact O-CA 3.1Å; A61-G64 PolarHBondContact O-N 3.21Å; P62-G64 PolarHBondContact O-N 3.25Å
65M49.8Very low53.5Low19 Ų1929.2 Ų29.29%0.09416%0.16CC..  trans-85.4114.9165.4-79.4164.331.500109.1I20 F43 V56 S58 Y82I20-M65 HydrophobicContact CD1-CG 3.66Å; I20-M65 HydrophobicContact CD1-SD 4.23Å; F43-M65 HydrophobicContact CZ-CG 4.21Å; V56-M65 HydrophobicContact CB-CE 4.35Å; V56-M65 HydrophobicContact CB-SD 4.22Å; V56-M65 HydrophobicContact CG1-CE 3.96Å; V56-M65 HydrophobicContact CG1-CG 4.46Å; V56-M65 HydrophobicContact CG1-SD 3.35Å; V56-M65 WeakPolarHBondContact CG1-SD 3.5Å; V56-M65 HydrophobicContact CG2-CE 4.41Å; S58-M65 WeakPolarHBondContact CB-SD 3.44Å; M65-Y82 HydrophobicContact CB-CD2 4.43Å; M65-Y82 HydrophobicContact CE-CD2 4.15Å; M65-Y82 HydrophobicContact CE-CE2 4.02Å
66Y42.9Very low52.8Low51 Ų5131.8 Ų31.820%0.217%0.17CC..  trans-107.287.2173.9-94.1-92.6000109.8L36 Y40 K89L36-Y66 HydrophobicContact CD1-CD2 3.86Å; L36-Y66 HydrophobicContact CD1-CE2 4.11Å; L36-Y66 HydrophobicContact CD2-CD1 3.75Å; L36-Y66 HydrophobicContact CD2-CD2 3.17Å; L36-Y66 HydrophobicContact CD2-CE1 3.98Å; L36-Y66 HydrophobicContact CD2-CE2 3.44Å; L36-Y66 VanDerWaalsContact CD2-CE2 3.44Å; L36-Y66 HydrophobicContact CD2-CG 3.3Å; L36-Y66 HydrophobicContact CG-CD2 3.56Å; L36-Y66 HydrophobicContact CG-CE2 4.14Å; L36-Y66 HydrophobicContact CG-CG 3.9Å; Y40-Y66 WeakPolarHBondContact CE1-O 3.33Å; Y40-Y66 HydrophobicContact CE2-CD1 4.46Å; Y40-Y66 HydrophobicContact CE2-CG 4.47Å; Y40-Y66 WeakPolarHBondContact OH-CD1 3.36Å; Y66-K89 HydrophobicContact CE1-CD 3.96Å; Y66-K89 VanDerWaalsContact CE1-NZ 3.27Å; Y66-K89 WeakPolarHBondContact OH-CE 3.27Å; Y66-K89 PolarHBondContact OH-NZ 3.09Å
67V46.1Very low52Low33 Ų3332.4 Ų32.420%0.218%0.175CC..  trans-169.6139.1153.9167.10000108.2Y40 F43 L69Y40-V67 HydrophobicContact CD1-CG2 3.51Å; Y40-V67 HydrophobicContact CE1-CG2 3.73Å; Y40-V67 HydrophobicContact CG-CG2 4.47Å; F43-V67 HydrophobicContact CB-CB 3.81Å; F43-V67 HydrophobicContact CB-CG1 4.1Å; F43-V67 HydrophobicContact CB-CG2 3.3Å; F43-V67 HydrophobicContact CD1-CB 4.37Å; F43-V67 HydrophobicContact CD2-CB 4.06Å; F43-V67 HydrophobicContact CD2-CG2 3.71Å; F43-V67 HydrophobicContact CG-CB 3.87Å; F43-V67 HydrophobicContact CG-CG2 3.69Å; V67-L69 HydrophobicContact CG1-CD2 4.2Å; V67-L69 PolarHBondContact O-N 2.79Å
68A43Very low50.9Low60 Ų6032.3 Ų32.350%0.49618%0.175SC..  trans-76.9102.2165.500000108.8Q70 I91A68-Q70 PolarHBondContact O-N 2.82Å; A68-I91 HydrophobicContact CB-CG2 4.07Å
69L48.1Very low49.9Very low4 Ų434.4 Ų34.42%0.02119%0.188CC..  trans-74.4125.8173.2-67178.3000109.2F43 L46 T47 W51 V54 V56 V67 G71 F73F43-L69 HydrophobicContact CD1-CD2 4.15Å; L46-L69 HydrophobicContact CD2-CD1 4.31Å; L46-L69 HydrophobicContact CD2-CD2 3.62Å; T47-L69 HydrophobicContact CG2-CD2 4.08Å; W51-L69 HydrophobicContact CH2-CB 4Å; W51-L69 HydrophobicContact CZ2-CB 4.2Å; W51-L69 HydrophobicContact CZ2-CD2 4.21Å; V54-L69 HydrophobicContact CB-CD1 4.44Å; V54-L69 HydrophobicContact CG1-CD1 4.29Å; V56-L69 HydrophobicContact CG2-CD1 4.32Å; V67-L69 HydrophobicContact CG1-CD2 4.2Å; V67-L69 PolarHBondContact O-N 2.79Å; L69-G71 PolarHBondContact O-N 2.98Å; L69-F73 HydrophobicContact CB-CD1 4.33Å; L69-F73 HydrophobicContact CD1-CB 4.16Å; L69-F73 HydrophobicContact CD1-CD1 4.35Å; L69-F73 HydrophobicContact CD1-CG 4.27Å
70Q49.2Very low49Very low179 Ų17935.8 Ų35.884%0.83620%0.195SC*.SBendtrans-81101.6167.7-70.4-171.9-11.800108.6W51 A68W51-Q70 WeakPolarHBondContact CH2-O 3.44Å; W51-Q70 VanDerWaalsContact CZ2-O 3.31Å; W51-Q70 WeakPolarHBondContact CZ2-O 3.4Å; A68-Q70 PolarHBondContact O-N 2.82Å
71G52.8Low48Very low23 Ų2337.2 Ų37.224%0.23720%0.204CC..SBendtrans140.5-169.9177.200000113.2L69 P94L69-G71 PolarHBondContact O-N 2.98Å; G71-P94 WeakPolarHBondContact O-CG 3.11Å
72Y56Low47.2Very low37 Ų3738.6 Ų38.615%0.14521%0.208CC..EExtended strand (participates in β ladder)trans-86.5131.4177-65.9-84000110.2W51 L53 V54 L325 K328W51-Y72 WeakPolarHBondContact CZ3-O 3.43Å; L53-Y72 WeakPolarHBondContact CA-O 3.31Å; L53-Y72 WeakPolarHBondContact CD1-O 3.33Å; V54-Y72 PolarHBondContact N-O 3.44Å; V54-Y72 VanDerWaalsContact N-O 3.12Å; Y72-L325 HydrophobicContact CD2-CD2 3.38Å; Y72-L325 HydrophobicContact CE2-CD2 4Å; Y72-L325 HydrophobicContact CG-CD2 3.85Å; Y72-K328 HydrophobicContact CE2-CD 4.05Å; Y72-K328 HydrophobicContact CE2-CG 3.96Å; Y72-K328 WeakPolarHBondContact OH-CA 3.06Å; Y72-K328 WeakPolarHBondContact OH-CB 3.43Å; Y72-K328 VanDerWaalsContact OH-CG 3.3Å; Y72-K328 WeakPolarHBondContact OH-CG 3.08Å; Y72-K328 PolarHBondContact OH-O 3.26Å
73F53.1Low46.7Very low3 Ų339.8 Ų39.81%0.01321%0.209CC..EExtended strand (participates in β ladder)trans-129.4151.1168.364.3-83.4000111.1V54 V56 L69 D75 Y82 S96V54-F73 HydrophobicContact CB-CB 4.24Å; V54-F73 CarbonylContact O-C 3.33Å; V54-F73 WeakPolarHBondContact O-CA 3.47Å; V54-F73 VanDerWaalsContact O-CB 3.28Å; V54-F73 WeakPolarHBondContact O-CB 3.44Å; V56-F73 HydrophobicContact CG2-CB 4.4Å; L69-F73 HydrophobicContact CB-CD1 4.33Å; L69-F73 HydrophobicContact CD1-CB 4.16Å; L69-F73 HydrophobicContact CD1-CD1 4.35Å; L69-F73 HydrophobicContact CD1-CG 4.27Å; F73-D75 HydrophobicContact CD2-CB 3.94Å; F73-D75 HydrophobicContact CE2-CB 3.86Å; F73-Y82 WeakPolarHBondContact CZ-OH 3.3Å; F73-S96 WeakPolarHBondContact O-CA 3.36Å; F73-S96 WeakPolarHBondContact O-CB 3.47Å
74V56.6Low45.8Very low7 Ų746 Ų464%0.04224%0.235CC..EExtended strand (participates in β ladder)trans-105.7104.8170.1-178.30000106.5M1 L53 V54 I55 V56 I321M1-V74 HydrophobicContact CE-CG1 3.89Å; L53-V74 HydrophobicContact CD1-CG2 4.24Å; L53-V74 HydrophobicContact CD2-CG2 4.24Å; V54-V74 PolarHBondContact O-N 2.85Å; I55-V74 HydrophobicContact CG1-CB 4.31Å; V56-V74 PolarHBondContact N-O 3.42Å; V74-I321 HydrophobicContact CG2-CD1 4.05Å
75D54.9Low45.2Very low13 Ų1347.1 Ų47.17%0.0724%0.242CC..EExtended strand (participates in β ladder)trans-88.2113176-175.919000110S58 F73 S77 P99S58-D75 PolarHBondContact OG-OD1 3.46Å; F73-D75 HydrophobicContact CD2-CB 3.94Å; F73-D75 HydrophobicContact CE2-CB 3.86Å; D75-S77 VanDerWaalsContact C-N 3.32Å; D75-S77 PolarHBondContact O-N 3.48Å; D75-S77 WeakPolarHBondContact OD1-CB 3.44Å; D75-S77 PolarHBondContact OD1-N 2.9Å; D75-P99 WeakPolarHBondContact O-CD 3.41Å
76Y52.2Low44.8Very low54 Ų5446.9 Ų46.921%0.21224%0.243CC..EExtended strand (participates in β ladder)trans-92.568.8171-167.2-104.3000108.5M1 V56 S58 I59M1-Y76 HydrophobicContact SD-CD2 4.23Å; M1-Y76 HydrophobicContact SD-CG 4.41Å; V56-Y76 PolarHBondContact O-N 3.46Å; S58-Y76 PolarHBondContact N-O 2.6Å; I59-Y76 HydrophobicContact CD1-CD1 4.39Å; I59-Y76 HydrophobicContact CD1-CE1 3.86Å
77S47.5Very low44.7Very low13 Ų1348 Ų489%0.09126%0.255CS..  trans-112.2140.4173.1-1520000111.6S58 D75 T79S58-S77 WeakPolarHBondContact OG-CB 3.26Å; S58-S77 PolarHBondContact OG-OG 3.13Å; D75-S77 VanDerWaalsContact C-N 3.32Å; D75-S77 PolarHBondContact O-N 3.48Å; D75-S77 WeakPolarHBondContact OD1-CB 3.44Å; D75-S77 PolarHBondContact OD1-N 2.9Å; S77-T79 PolarHBondContact OG-N 3.48Å; S77-T79 PolarHBondContact OG-OG1 3.18Å
78T42.9Very low44.3Very low30 Ų3050.4 Ų50.418%0.18428%0.278CS..  trans-95.1-2.7162.154.30000112I59 F111I59-T78 HydrophobicContact CD1-CG2 4.36Å; I59-T78 HydrophobicContact CG1-CG2 4.22Å; T78-F111 HydrophobicContact CG2-CD1 4.23Å; T78-F111 HydrophobicContact CG2-CE1 4.35Å
79T36.7Very low44.1Very low45 Ų4553.3 Ų53.328%0.27628%0.28SS..  trans-90.7125.1-170.660.20000112.7S77 M81 Y82S77-T79 PolarHBondContact OG-N 3.48Å; S77-T79 PolarHBondContact OG-OG1 3.18Å; T79-M81 PolarHBondContact O-N 3.07Å; T79-Y82 PolarHBondContact O-N 3.3Å
80I35.5Very low43.8Very low77 Ų7764 Ų6440%0.39532%0.32SS..THydrogen-bonded Turntrans-54.5-19.2168.3-67.9166.8000111.9Y82 Y83 K84 A104I80-Y82 VanDerWaalsContact C-N 3.33Å; I80-Y82 PolarHBondContact O-N 3.22Å; I80-Y83 PolarHBondContact O-N 3.48Å; I80-K84 HydrophobicContact CG2-CD 4.17Å; I80-K84 HydrophobicContact CG2-CG 4.08Å; I80-K84 PolarHBondContact O-N 3.38Å; I80-K84 VanDerWaalsContact O-N 3.11Å; I80-A104 HydrophobicContact CG2-CB 4.47Å
81M32.9Very low43.4Very low84 Ų8457.9 Ų57.941%0.41429%0.292SS..Hα-helixtrans-62.2-33.3-177.1-84.1-165.288.200114P62 T79 Y83 S85P62-M81 WeakPolarHBondContact O-CE 3.42Å; T79-M81 PolarHBondContact O-N 3.07Å; M81-Y83 PolarHBondContact O-N 2.96Å; M81-S85 VanDerWaalsContact O-CB 3.23Å; M81-S85 WeakPolarHBondContact O-CB 3.42Å; M81-S85 PolarHBondContact O-N 3.15Å; M81-S85 PolarHBondContact O-OG 3.32Å
82Y38.3Very low42.8Very low32 Ų3263.1 Ų63.113%0.12532%0.32CS..Hα-helixtrans-60.6-47.4174.5-179.5-99.5000110.8M65 F73 T79 I80 S85 A86 S93M65-Y82 HydrophobicContact CB-CD2 4.43Å; M65-Y82 HydrophobicContact CE-CD2 4.15Å; M65-Y82 HydrophobicContact CE-CE2 4.02Å; F73-Y82 WeakPolarHBondContact CZ-OH 3.3Å; T79-Y82 PolarHBondContact O-N 3.3Å; I80-Y82 VanDerWaalsContact C-N 3.33Å; I80-Y82 PolarHBondContact O-N 3.22Å; Y82-S85 PolarHBondContact O-N 3.02Å; Y82-A86 HydrophobicContact CE1-CB 4.24Å; Y82-A86 WeakPolarHBondContact O-CB 3.42Å; Y82-A86 PolarHBondContact O-N 2.99Å; Y82-S93 VanDerWaalsContact OH-CB 3.23Å; Y82-S93 WeakPolarHBondContact OH-CB 3.41Å; Y82-S93 PolarHBondContact OH-OG 3.45Å; Y82-S93 VanDerWaalsContact OH-OG 3.05Å
83Y39.1Very low41.8Very low58 Ų5862.3 Ų62.323%0.22732%0.32CS..Hα-helixtrans-63.5-51.5-179.8-176.9-80.5000112.2I80 M81 S85 A86 V87 A104I80-Y83 PolarHBondContact O-N 3.48Å; M81-Y83 PolarHBondContact O-N 2.96Å; Y83-S85 PolarHBondContact O-N 3.29Å; Y83-A86 PolarHBondContact O-N 3.18Å; Y83-V87 HydrophobicContact CD1-CB 4.43Å; Y83-V87 HydrophobicContact CD1-CG2 3.8Å; Y83-V87 HydrophobicContact CD2-CG2 4.24Å; Y83-V87 HydrophobicContact CE1-CB 4.19Å; Y83-V87 HydrophobicContact CE1-CG2 3.47Å; Y83-V87 VanDerWaalsContact CE1-CG2 3.47Å; Y83-V87 HydrophobicContact CE2-CG2 3.91Å; Y83-V87 HydrophobicContact CG-CG2 4.22Å; Y83-V87 WeakPolarHBondContact O-CB 3.31Å; Y83-V87 WeakPolarHBondContact O-CG2 3.46Å; Y83-V87 PolarHBondContact O-N 3.13Å; Y83-A104 HydrophobicContact CD1-CB 2.97Å; Y83-A104 HydrophobicContact CD2-CB 4.15Å; Y83-A104 HydrophobicContact CE1-CB 3.24Å; Y83-A104 HydrophobicContact CE2-CB 4.38Å; Y83-A104 HydrophobicContact CG-CB 3.45Å; Y83-A104 VanDerWaalsContact CG-CB 3.45Å
84K36.3Very low40.9Very low140 Ų14064.5 Ų64.561%0.60933%0.334SS*.Hα-helixtrans-58.3-39.5-178.4-78.5-172.2176.2-176.40111I80 A88I80-K84 HydrophobicContact CG2-CD 4.17Å; I80-K84 HydrophobicContact CG2-CG 4.08Å; I80-K84 PolarHBondContact O-N 3.38Å; I80-K84 VanDerWaalsContact O-N 3.11Å; K84-A88 WeakPolarHBondContact O-CB 3.5Å; K84-A88 PolarHBondContact O-N 3.29Å
85S36.1Very low39.8Very low27 Ų2764.9 Ų64.919%0.18934%0.336CS..Hα-helixtrans-72-45.6179.4-50.80000112.2M81 Y82 Y83 A88 K89M81-S85 VanDerWaalsContact O-CB 3.23Å; M81-S85 WeakPolarHBondContact O-CB 3.42Å; M81-S85 PolarHBondContact O-N 3.15Å; M81-S85 PolarHBondContact O-OG 3.32Å; Y82-S85 PolarHBondContact O-N 3.02Å; Y83-S85 PolarHBondContact O-N 3.29Å; S85-A88 PolarHBondContact O-N 2.84Å; S85-K89 WeakPolarHBondContact O-CB 3.44Å; S85-K89 PolarHBondContact O-N 3.47Å
86A41.2Very low38.9Very low14 Ų1464.8 Ų64.812%0.11634%0.336CS..Hα-helixtrans-63.9-4318000000111.9Y82 Y83 R90 I91Y82-A86 HydrophobicContact CE1-CB 4.24Å; Y82-A86 WeakPolarHBondContact O-CB 3.42Å; Y82-A86 PolarHBondContact O-N 2.99Å; Y83-A86 PolarHBondContact O-N 3.18Å; A86-R90 PolarHBondContact O-N 2.85Å; A86-I91 HydrophobicContact CB-CB 4.44Å; A86-I91 PolarHBondContact O-N 3.45Å
87V41.3Very low38.1Very low75 Ų7563.7 Ų63.746%0.45533%0.333SS..Hα-helixtrans-69.4-47175.9174.10000111.4Y83 K89 R90Y83-V87 HydrophobicContact CD1-CB 4.43Å; Y83-V87 HydrophobicContact CD1-CG2 3.8Å; Y83-V87 HydrophobicContact CD2-CG2 4.24Å; Y83-V87 HydrophobicContact CE1-CB 4.19Å; Y83-V87 HydrophobicContact CE1-CG2 3.47Å; Y83-V87 VanDerWaalsContact CE1-CG2 3.47Å; Y83-V87 HydrophobicContact CE2-CG2 3.91Å; Y83-V87 HydrophobicContact CG-CG2 4.22Å; Y83-V87 WeakPolarHBondContact O-CB 3.31Å; Y83-V87 WeakPolarHBondContact O-CG2 3.46Å; Y83-V87 PolarHBondContact O-N 3.13Å; V87-K89 PolarHBondContact O-N 3.3Å; V87-R90 PolarHBondContact O-N 3.04Å
88A37Very low37.8Very low83 Ų8365.5 Ų65.569%0.68634%0.338SS*.Hα-helixtrans-60-32.4179.600000112.7K84 S85K84-A88 WeakPolarHBondContact O-CB 3.5Å; K84-A88 PolarHBondContact O-N 3.29Å; S85-A88 PolarHBondContact O-N 2.84Å
89K38.4Very low37.5Very low122 Ų12265.6 Ų65.653%0.5334%0.339SS..THydrogen-bonded Turntrans-1048.8-179-64.8-164.5169.6-172.30114.8Y66 S85 V87 I91Y66-K89 HydrophobicContact CE1-CD 3.96Å; Y66-K89 VanDerWaalsContact CE1-NZ 3.27Å; Y66-K89 WeakPolarHBondContact OH-CE 3.27Å; Y66-K89 PolarHBondContact OH-NZ 3.09Å; S85-K89 WeakPolarHBondContact O-CB 3.44Å; S85-K89 PolarHBondContact O-N 3.47Å; V87-K89 PolarHBondContact O-N 3.3Å; K89-I91 HydrophobicContact CB-CD1 4.27Å; K89-I91 HydrophobicContact CB-CG1 4.05Å; K89-I91 PolarHBondContact O-N 3.37Å
90R43Very low37.2Very low228 Ų22864.3 Ų64.386%0.8634%0.335SS*.THydrogen-bonded Turntrans52.437.8179.9-56.9-179.1-180178.60.1113.4A86 V87 T92A86-R90 PolarHBondContact O-N 2.85Å; V87-R90 PolarHBondContact O-N 3.04Å; R90-T92 PolarHBondContact O-N 2.9Å; R90-T92 VanDerWaalsContact O-N 3.12Å
91I40.1Very low36.9Very low50 Ų5063.3 Ų63.326%0.25633%0.333SS..  trans-73.8107.5179.4-59.9176.3000108.1A68 A86 K89 S93A68-I91 HydrophobicContact CB-CG2 4.07Å; A86-I91 HydrophobicContact CB-CB 4.44Å; A86-I91 PolarHBondContact O-N 3.45Å; K89-I91 HydrophobicContact CB-CD1 4.27Å; K89-I91 HydrophobicContact CB-CG1 4.05Å; K89-I91 PolarHBondContact O-N 3.37Å; I91-S93 PolarHBondContact O-N 3.01Å
92T38.9Very low36.6Very low134 Ų13462.1 Ų62.182%0.82233%0.326SS*.  trans-76.263.5170.653.90000109.8R90R90-T92 PolarHBondContact O-N 2.9Å; R90-T92 VanDerWaalsContact O-N 3.12Å
93S36.4Very low36Very low20 Ų2062.6 Ų62.614%0.1433%0.332CS..  trans-65.1132.8166.1-87.20000107.9Y82 I91 L95Y82-S93 VanDerWaalsContact OH-CB 3.23Å; Y82-S93 WeakPolarHBondContact OH-CB 3.41Å; Y82-S93 PolarHBondContact OH-OG 3.45Å; Y82-S93 VanDerWaalsContact OH-OG 3.05Å; I91-S93 PolarHBondContact O-N 3.01Å; S93-L95 PolarHBondContact O-N 3.37Å
94P33.2Very low35.4Very low49 Ų4961.8 Ų61.832%0.31834%0.338SS..  trans-49.4141.5169.8-24.133.9000109.3G71 S96G71-P94 WeakPolarHBondContact O-CG 3.11Å; P94-S96 PolarHBondContact O-N 3.1Å
95L34.2Very low34.8Very low15 Ų1558.4 Ų58.48%0.07934%0.343CS..  trans-54.9101.7-179.5-96.591.2000109.5S93 E127 V331 R336S93-L95 PolarHBondContact O-N 3.37Å; L95-E127 HydrophobicContact CD2-CG 3.83Å; L95-E127 WeakPolarHBondContact CD2-OE1 3.39Å; L95-V331 HydrophobicContact CB-CB 4.44Å; L95-V331 HydrophobicContact CB-CG1 3.23Å; L95-V331 HydrophobicContact CD2-CG1 3.59Å; L95-V331 HydrophobicContact CG-CG1 3.94Å; L95-R336 HydrophobicContact CD1-CB 4.24Å; L95-R336 HydrophobicContact CD1-CG 3.87Å; L95-R336 HydrophobicContact CD2-CB 3.89Å; L95-R336 HydrophobicContact CD2-CG 3.97Å
96S36.8Very low34.3Very low10 Ų1064 Ų647%0.0736%0.364CS..  trans-65149.6172.650.70000109.2F73 P94 R98F73-S96 WeakPolarHBondContact O-CA 3.36Å; F73-S96 WeakPolarHBondContact O-CB 3.47Å; P94-S96 PolarHBondContact O-N 3.1Å; S96-R98 PolarHBondContact O-N 3.12Å; S96-R98 WeakPolarHBondContact OG-CG 3.42Å
97I35.4Very low33.5Very low31 Ų3170.1 Ų70.116%0.15939%0.391CS..  trans-65.894.5158.2-57.9-175.1000105.7P99 I321 L324I97-P99 VanDerWaalsContact O-CD 3.25Å; I97-P99 WeakPolarHBondContact O-CD 3.14Å; I97-I321 HydrophobicContact CD1-CB 4.19Å; I97-I321 HydrophobicContact CD1-CD1 4.45Å; I97-I321 HydrophobicContact CD1-CG1 3.31Å; I97-L324 HydrophobicContact CD1-CD1 3.53Å; I97-L324 HydrophobicContact CD1-CG 4.36Å; I97-L324 HydrophobicContact CG1-CD1 3.32Å
98R40.4Very low33Very low52 Ų5269.1 Ų69.120%0.19639%0.387CS..  trans-77.8113.5173.3-63.7179.2-175.1148.8-3.5105.8S96 G100 E127 E340S96-R98 PolarHBondContact O-N 3.12Å; S96-R98 WeakPolarHBondContact OG-CG 3.42Å; R98-G100 PolarHBondContact O-N 3.15Å; R98-E127 IonicContact NH1-OE1 2.63Å; R98-E340 IonicContact CZ-OE1 3.88Å; R98-E340 IonicContact NH1-OE1 3.79Å; R98-E340 PolarHBondContact NH1-OE1 3.35Å; R98-E340 IonicContact NH2-OE1 3.85Å
99P36Very low32.6Very low31 Ų3172.1 Ų72.120%0.20138%0.384CS..SBendtrans-64.890.1169.1-10.727.3000107.2D75 I97 T101D75-P99 WeakPolarHBondContact O-CD 3.41Å; I97-P99 VanDerWaalsContact O-CD 3.25Å; I97-P99 WeakPolarHBondContact O-CD 3.14Å; P99-T101 PolarHBondContact O-N 2.98Å
100G30.3Very low32.7Very low19 Ų1969.8 Ų69.820%0.19637%0.372CS..SBendtrans59.936.9166.400000117.8R98 Q102R98-G100 PolarHBondContact O-N 3.15Å; G100-Q102 PolarHBondContact O-N 3.23Å
101T30.2Very low32.8Very low56 Ų5660.1 Ų60.134%0.34434%0.336SS..  trans-9884.1168.562.70000109.8P99 T103P99-T101 PolarHBondContact O-N 2.98Å; T101-T103 PolarHBondContact O-N 2.64Å; T101-T103 VanDerWaalsContact O-N 3.08Å
102Q26.3Very low33Very low58 Ų5857.7 Ų57.727%0.27132%0.324SS..  trans-61.6114.1167.8-69.1-173.312.900108.4G100 P123G100-Q102 PolarHBondContact O-N 3.23Å; Q102-P123 PolarHBondContact NE2-O 3.42Å
103T26.6Very low33.9Very low42 Ų4252.3 Ų52.326%0.25829%0.29SS..  trans35.9112.9142.251.40000116.1T101 G105 F106T101-T103 PolarHBondContact O-N 2.64Å; T101-T103 VanDerWaalsContact O-N 3.08Å; T103-G105 PolarHBondContact O-N 2.81Å; T103-F106 PolarHBondContact O-N 2.78Å
104A26.4Very low34.9Very low41 Ų4151.5 Ų51.534%0.33928%0.284SS..THydrogen-bonded Turntrans-7023.5-175.500000117.3I80 Y83I80-A104 HydrophobicContact CG2-CB 4.47Å; Y83-A104 HydrophobicContact CD1-CB 2.97Å; Y83-A104 HydrophobicContact CD2-CB 4.15Å; Y83-A104 HydrophobicContact CE1-CB 3.24Å; Y83-A104 HydrophobicContact CE2-CB 4.38Å; Y83-A104 HydrophobicContact CG-CB 3.45Å; Y83-A104 VanDerWaalsContact CG-CB 3.45Å
105G23.8Very low36.3Very low70 Ų7050.6 Ų50.672%0.72228%0.277SS*.THydrogen-bonded Turntrans-94.1-1915800000113.2T103T103-G105 PolarHBondContact O-N 2.81Å
106F23.6Very low37.6Very low145 Ų14554.1 Ų54.164%0.63630%0.304SS*.SBendtrans-10990.3173.5-90.2-94.1000108.8T103 S108T103-F106 PolarHBondContact O-N 2.78Å; F106-S108 PolarHBondContact O-N 2.94Å
107E24.5Very low38.7Very low142 Ų14258.8 Ų58.866%0.66434%0.336SS*.  trans-26.7106.9158.1-67.3-171.115200111.8K109E107-K109 WeakPolarHBondContact O-CB 3.32Å; E107-K109 WeakPolarHBondContact O-CG 3.12Å; E107-K109 PolarHBondContact O-N 2.94Å
108S31.3Very low40.2Very low54 Ų5458.3 Ų58.338%0.37833%0.334SS..SBend51.211.1123.962.60000119.2F106 R110 F111F106-S108 PolarHBondContact O-N 2.94Å; S108-R110 PolarHBondContact O-N 3.4Å; S108-F111 WeakPolarHBondContact O-CD2 3.37Å; S108-F111 VanDerWaalsContact O-CE2 3.23Å; S108-F111 WeakPolarHBondContact O-CE2 3.41Å
109K28.8Very low41.5Very low146 Ų14656.8 Ų56.864%0.63533%0.329SS*.  trans-83.6-8.8-164-90.3-170.4178.8-178.60115.2E107 F258E107-K109 WeakPolarHBondContact O-CB 3.32Å; E107-K109 WeakPolarHBondContact O-CG 3.12Å; E107-K109 PolarHBondContact O-N 2.94Å; K109-F258 WeakPolarHBondContact O-CD2 3.42Å; K109-F258 WeakPolarHBondContact O-CE2 3.36Å; K109-F258 WeakPolarHBondContact O-CG 3.39Å
110R40.4Very low42.9Very low73 Ų7358.3 Ų58.328%0.27533%0.333SS..  trans-143.826.8-151.4-75162170.8175.30116.8S108 L112 Q122 F258S108-R110 PolarHBondContact O-N 3.4Å; R110-L112 PolarHBondContact O-N 2.95Å; R110-Q122 VanDerWaalsContact CB-OE1 3.23Å; R110-Q122 VanDerWaalsContact NH1-CB 3.33Å; R110-F258 HydrophobicContact CB-CZ 4.43Å; R110-F258 HydrophobicContact CG-CE2 4.24Å; R110-F258 HydrophobicContact CG-CZ 4.07Å
111F44.7Very low44.7Very low24 Ų2462 Ų6211%0.10536%0.362CS..  trans-72.35.7-176-51.6-98.2000115.5T78 S108 H113 Y234 E255T78-F111 HydrophobicContact CG2-CD1 4.23Å; T78-F111 HydrophobicContact CG2-CE1 4.35Å; S108-F111 WeakPolarHBondContact O-CD2 3.37Å; S108-F111 VanDerWaalsContact O-CE2 3.23Å; S108-F111 WeakPolarHBondContact O-CE2 3.41Å; F111-H113 PolarHBondContact O-N 2.69Å; F111-H113 VanDerWaalsContact O-N 3.16Å; F111-Y234 VanDerWaalsContact O-CD2 3.3Å; F111-Y234 WeakPolarHBondContact O-CD2 3.26Å; F111-E255 HydrophobicContact CB-CB 3.43Å; F111-E255 VanDerWaalsContact CB-CB 3.43Å; F111-E255 HydrophobicContact CB-CG 3.88Å; F111-E255 HydrophobicContact CD2-CB 3.3Å; F111-E255 HydrophobicContact CD2-CG 4.44Å; F111-E255 HydrophobicContact CE2-CB 4.21Å; F111-E255 HydrophobicContact CG-CB 3.61Å; F111-E255 HydrophobicContact CG-CG 4.35Å
112L45.4Very low46.1Very low0 Ų061.7 Ų61.70%036%0.357CS..  trans-78.8100.2164.5-155.168.9000108.6R110 L114 N119 Y234 F237 F258 N259 V262R110-L112 PolarHBondContact O-N 2.95Å; L112-L114 VanDerWaalsContact C-N 3.26Å; L112-L114 HydrophobicContact CD2-CD1 3.38Å; L112-L114 HydrophobicContact CD2-CD2 4.25Å; L112-L114 HydrophobicContact CD2-CG 3.52Å; L112-L114 HydrophobicContact CG-CD1 4.23Å; L112-L114 HydrophobicContact CG-CG 3.84Å; L112-L114 PolarHBondContact O-N 3.49Å; L112-N119 PolarHBondContact O-ND2 3.35Å; L112-Y234 HydrophobicContact CD1-CD2 3.8Å; L112-Y234 HydrophobicContact CD1-CE2 4.28Å; L112-F237 HydrophobicContact CD1-CB 4.44Å; L112-F237 HydrophobicContact CD1-CD1 3.12Å; L112-F237 HydrophobicContact CD1-CE1 3.34Å; L112-F237 HydrophobicContact CD1-CG 3.89Å; L112-F237 HydrophobicContact CD1-CZ 4.29Å; L112-F237 HydrophobicContact CD2-CD1 4.18Å; L112-F237 HydrophobicContact CD2-CE1 3.47Å; L112-F237 VanDerWaalsContact CD2-CE1 3.47Å; L112-F237 HydrophobicContact CD2-CZ 3.87Å; L112-F237 HydrophobicContact CG-CD1 4.15Å; L112-F237 HydrophobicContact CG-CE1 3.89Å; L112-F258 HydrophobicContact CB-CD1 3.75Å; L112-F258 HydrophobicContact CB-CE1 3.52Å; L112-N259 VanDerWaalsContact CB-OD1 3.26Å; L112-N259 WeakPolarHBondContact CB-OD1 3.29Å; L112-N259 HydrophobicContact CD1-CB 4.09Å; L112-N259 VanDerWaalsContact CD1-CG 3.48Å; L112-N259 WeakPolarHBondContact CD1-OD1 3.48Å; L112-V262 HydrophobicContact CD2-CB 3.66Å; L112-V262 HydrophobicContact CD2-CG1 3.53Å; L112-V262 HydrophobicContact CD2-CG2 3.58Å
113H57.7Low47.7Very low21 Ų2163.2 Ų63.210%0.09737%0.371CS..  trans-76.389.6164.9-55160.5000106.7F111 V130 V131 Y234F111-H113 PolarHBondContact O-N 2.69Å; F111-H113 VanDerWaalsContact O-N 3.16Å; H113-V130 HydrophobicContact CB-CG1 3.75Å; H113-V131 PolarHBondContact ND1-O 3.36Å; H113-Y234 HydrophobicContact CB-CE2 3.84Å; H113-Y234 WeakPolarHBondContact O-CE2 3.48Å; H113-Y234 PolarHBondContact O-OH 2.91Å
114L58Low49.3Very low3 Ų365.1 Ų65.12%0.01638%0.383CS..  trans-96.6163.8156.7-71.4173.4000107.6L112 S116 L118 N119 F237 L241 V262 F302 V306L112-L114 VanDerWaalsContact C-N 3.26Å; L112-L114 HydrophobicContact CD2-CD1 3.38Å; L112-L114 HydrophobicContact CD2-CD2 4.25Å; L112-L114 HydrophobicContact CD2-CG 3.52Å; L112-L114 HydrophobicContact CG-CD1 4.23Å; L112-L114 HydrophobicContact CG-CG 3.84Å; L112-L114 PolarHBondContact O-N 3.49Å; L114-S116 PolarHBondContact O-N 3.46Å; L114-L118 HydrophobicContact CB-CB 4.36Å; L114-L118 HydrophobicContact CD1-CB 4.47Å; L114-N119 HydrophobicContact CB-CB 4.13Å; L114-F237 HydrophobicContact CD2-CE1 4.25Å; L114-L241 HydrophobicContact CD2-CD1 3.97Å; L114-V262 HydrophobicContact CD1-CG1 3.82Å; L114-F302 HydrophobicContact CD1-CE1 4.4Å; L114-F302 HydrophobicContact CD1-CZ 3.65Å; L114-F302 HydrophobicContact CD2-CE1 4.47Å; L114-F302 HydrophobicContact CD2-CZ 4.19Å; L114-V306 HydrophobicContact CD2-CG1 3.96Å; L114-V306 HydrophobicContact CD2-CG2 3.79Å
115P61.8Low51Low29 Ų2964.2 Ų64.219%0.18837%0.374CS..  trans-44.8134.1159.9-27.335.3000109.8S117 L118 N119P115-S117 PolarHBondContact O-N 3.38Å; P115-L118 HydrophobicContact CB-CD1 4.39Å; P115-L118 HydrophobicContact CG-CD1 4.25Å; P115-L118 PolarHBondContact O-N 3.22Å; P115-N119 PolarHBondContact O-N 2.79Å
116S60.9Low52.9Low90 Ų9067.7 Ų67.763%0.62938%0.376SS*.THydrogen-bonded Turntrans-54.2-28.9-172.9-55.90000113.1L114 L118L114-S116 PolarHBondContact O-N 3.46Å; S116-L118 VanDerWaalsContact C-N 3.3Å; S116-L118 PolarHBondContact O-N 3.19Å
117S60.8Low54.6Low107 Ų10762.2 Ų62.275%0.74835%0.353SS*.THydrogen-bonded Turntrans-69.9-20.317654.50000114.6P115P115-S117 PolarHBondContact O-N 3.38Å
118L67.5Low56.3Low22 Ų2256.8 Ų56.812%0.11533%0.329CS..THydrogen-bonded Turntrans-107.9-14.4-176-65.3178.2000113.3L114 P115 S116 K266 F302 Q305 V306L114-L118 HydrophobicContact CB-CB 4.36Å; L114-L118 HydrophobicContact CD1-CB 4.47Å; P115-L118 HydrophobicContact CB-CD1 4.39Å; P115-L118 HydrophobicContact CG-CD1 4.25Å; P115-L118 PolarHBondContact O-N 3.22Å; S116-L118 VanDerWaalsContact C-N 3.3Å; S116-L118 PolarHBondContact O-N 3.19Å; L118-K266 VanDerWaalsContact O-CE 3.25Å; L118-K266 WeakPolarHBondContact O-CE 3.25Å; L118-K266 PolarHBondContact O-NZ 2.96Å; L118-F302 HydrophobicContact CB-CE2 4.09Å; L118-F302 HydrophobicContact CD1-CE2 4.26Å; L118-F302 HydrophobicContact CD2-CE2 4.3Å; L118-F302 HydrophobicContact CG-CE2 4.46Å; L118-Q305 HydrophobicContact CD1-CB 3.93Å; L118-Q305 HydrophobicContact CD2-CB 4.34Å; L118-V306 HydrophobicContact CD1-CB 4.17Å; L118-V306 HydrophobicContact CD1-CG2 3.49Å; L118-V306 VanDerWaalsContact CD1-CG2 3.49Å
119N65.7Low57.8Low19 Ų1955.1 Ų55.110%0.10232%0.316CS..SBendtrans-79.9171.9176-150.1-7.7000112.2L112 L114 P115L112-N119 PolarHBondContact O-ND2 3.35Å; L114-N119 HydrophobicContact CB-CB 4.13Å; P115-N119 PolarHBondContact O-N 2.79Å
120F67.3Low59.6Low63 Ų6350.2 Ų50.228%0.27630%0.298SS..PPolyproline II helixtrans-64.1141.1165-69.7-73.6000110.3Q122 F258 A261 V262 Q265F120-Q122 PolarHBondContact O-N 2.93Å; F120-F258 HydrophobicContact CB-CE2 4.35Å; F120-F258 HydrophobicContact CB-CZ 4.29Å; F120-F258 HydrophobicContact CD2-CD2 4.24Å; F120-F258 HydrophobicContact CD2-CE1 4.47Å; F120-F258 AromaticContact CD2-CE2 3.35Å; F120-F258 HydrophobicContact CD2-CE2 3.35Å; F120-F258 AromaticContact CD2-CZ 3.52Å; F120-F258 HydrophobicContact CD2-CZ 3.52Å; F120-F258 HydrophobicContact CE2-CD2 4.45Å; F120-F258 AromaticContact CE2-CE2 3.97Å; F120-F258 HydrophobicContact CE2-CE2 3.97Å; F120-F258 HydrophobicContact CE2-CZ 4.35Å; F120-F258 HydrophobicContact CG-CE2 4.22Å; F120-F258 HydrophobicContact CG-CZ 4.37Å; F120-A261 HydrophobicContact CE2-CB 4.36Å; F120-A261 HydrophobicContact CZ-CB 4.47Å; F120-V262 HydrophobicContact CD2-CG2 3.6Å; F120-V262 HydrophobicContact CE2-CB 4.24Å; F120-V262 HydrophobicContact CE2-CG2 3.3Å; F120-V262 HydrophobicContact CZ-CG2 4.33Å; F120-Q265 HydrophobicContact CE1-CG 4.3Å; F120-Q265 HydrophobicContact CZ-CB 4.19Å; F120-Q265 HydrophobicContact CZ-CG 4.44Å; F120-Q265 VanDerWaalsContact CZ-OE1 3.28Å
121A66.5Low60.9Low98 Ų9848.3 Ų48.381%0.8129%0.294SS*.PPolyproline II helixtrans-57.7127.817800000110.8
122Q61.1Low62.2Low48 Ų4847.7 Ų47.722%0.22429%0.293CS..  trans-148.1140.7-176.760-17131.700111.5R110 F120 T124R110-Q122 VanDerWaalsContact CB-OE1 3.23Å; R110-Q122 VanDerWaalsContact NH1-CB 3.33Å; F120-Q122 PolarHBondContact O-N 2.93Å; Q122-T124 HydrophobicContact CG-CG2 4.08Å; Q122-T124 PolarHBondContact O-N 2.73Å
123P59Low63.6Low90 Ų9049.6 Ų49.658%0.58430%0.301SS*.  trans-58.4136.816525.1-35.7000109.7Q102Q102-P123 PolarHBondContact NE2-O 3.42Å
124T60Low64.4Low82 Ų8250.2 Ų50.250%0.50331%0.307SS..  trans-131.7158.9172.660.60000108.9Q122Q122-T124 HydrophobicContact CG-CG2 4.08Å; Q122-T124 PolarHBondContact O-N 2.73Å
125S61.8Low65.6Low22 Ų2252.2 Ų52.215%0.15432%0.321CS..  trans-117.6161.9173.867.90000110.7E127 V128 Q337S125-E127 PolarHBondContact O-N 2.87Å; S125-V128 PolarHBondContact O-N 3.25Å; S125-V128 VanDerWaalsContact O-N 3.14Å; S125-Q337 PolarHBondContact OG-NE2 3.37Å
126N65Low66.2Low143 Ų14354.9 Ų54.977%0.76533%0.331SS*.THydrogen-bonded Turntrans-67.4-14.7177.8-63.9-16.3000113V128 L335N126-V128 VanDerWaalsContact C-N 3.27Å; N126-L335 HydrophobicContact CB-CD2 4.21Å
127E58.5Low66.6Low30 Ų3059.2 Ų59.214%0.1434%0.339CS..THydrogen-bonded Turntrans-69.3-28.1173.7-154.8-174.5133.100112.5L95 R98 S125 L335 Q337L95-E127 HydrophobicContact CD2-CG 3.83Å; L95-E127 WeakPolarHBondContact CD2-OE1 3.39Å; R98-E127 IonicContact NH1-OE1 2.63Å; S125-E127 PolarHBondContact O-N 2.87Å; E127-L335 HydrophobicContact CB-CB 4.49Å; E127-L335 VanDerWaalsContact CB-O 3.27Å; E127-L335 WeakPolarHBondContact CB-O 3.38Å; E127-L335 HydrophobicContact CG-CB 4.27Å; E127-L335 WeakPolarHBondContact CG-O 3.48Å; E127-Q337 PolarHBondContact OE2-N 3.08Å
128V59.2Low66.7Low28 Ų2863.7 Ų63.717%0.1735%0.345CS..  trans-98.1106.8-173.9-178.70000109.4S125 N126 V130S125-V128 PolarHBondContact O-N 3.25Å; S125-V128 VanDerWaalsContact O-N 3.14Å; N126-V128 VanDerWaalsContact C-N 3.27Å; V128-V130 HydrophobicContact CG1-CG2 4.19Å
129I63.8Low66.5Low20 Ų2070 Ų7010%0.10338%0.378CS..  trans-92.3110.3170.3-62.1153.6000107.4V131 W320I129-V131 HydrophobicContact CG2-CG2 3.99Å; I129-V131 PolarHBondContact O-N 2.93Å; I129-W320 HydrophobicContact CD1-CB 3.91Å; I129-W320 HydrophobicContact CD1-CD2 3.44Å; I129-W320 VanDerWaalsContact CD1-CD2 3.44Å; I129-W320 HydrophobicContact CD1-CE3 3.42Å; I129-W320 VanDerWaalsContact CD1-CE3 3.42Å; I129-W320 HydrophobicContact CD1-CG 3.68Å; I129-W320 HydrophobicContact CD1-CZ3 4.09Å; I129-W320 HydrophobicContact CG1-CD2 4.01Å; I129-W320 HydrophobicContact CG1-CE3 4.27Å; I129-W320 HydrophobicContact CG1-CG 4.27Å; I129-W320 HydrophobicContact CG2-CB 4.33Å; I129-W320 VanDerWaalsContact CG2-CD1 3.42Å; I129-W320 HydrophobicContact CG2-CD2 4.21Å; I129-W320 HydrophobicContact CG2-CG 3.75Å
130V66.6Low66.6Low43 Ų4370.8 Ų70.826%0.26139%0.385SS..  trans-79.2110.9178.1-177.60000108.4H113 V128H113-V130 HydrophobicContact CB-CG1 3.75Å; V128-V130 HydrophobicContact CG1-CG2 4.19Å
131V68.2Low67.2Low32 Ų3273.7 Ų73.719%0.19441%0.408CS..  trans-112135.8171.1-175.90000109.5H113 I129 P313 L316 A317H113-V131 PolarHBondContact ND1-O 3.36Å; I129-V131 HydrophobicContact CG2-CG2 3.99Å; I129-V131 PolarHBondContact O-N 2.93Å; V131-P313 HydrophobicContact CG1-CB 4.05Å; V131-P313 WeakPolarHBondContact CG1-O 3.45Å; V131-L316 HydrophobicContact CG2-CD2 4.42Å; V131-L316 HydrophobicContact CG2-CG 4.43Å; V131-A317 HydrophobicContact CB-CB 4.37Å; V131-A317 HydrophobicContact CG1-CB 3.82Å; V131-A317 HydrophobicContact CG2-CB 4Å
132D71.8Confident68.3Low12 Ų1270.1 Ų70.16%0.06438%0.376CS..PPolyproline II helixtrans-93.8161.4-173.2-144.4-16.2000112.5Y234 R238 Q309 P313D132-Y234 WeakPolarHBondContact CA-OH 3.29Å; D132-Y234 PolarHBondContact OD1-OH 2.94Å; D132-R238 VanDerWaalsContact CB-NH2 3.28Å; D132-R238 VanDerWaalsContact OD1-CD 3.24Å; D132-R238 WeakPolarHBondContact OD1-CD 3.48Å; D132-R238 IonicContact OD1-CZ 3.84Å; D132-R238 IonicContact OD1-NE 3.46Å; D132-R238 PolarHBondContact OD1-NE 2.82Å; D132-R238 IonicContact OD1-NH1 3.71Å; D132-R238 PolarHBondContact OD1-NH1 3.16Å; D132-R238 VanDerWaalsContact OD1-NH1 3.15Å; D132-R238 IonicContact OD1-NH2 2.84Å; D132-R238 PolarHBondContact OD1-NH2 3.24Å; D132-R238 VanDerWaalsContact OD1-NH2 3.07Å; D132-R238 IonicContact OD2-CZ 3.07Å; D132-R238 IonicContact OD2-NE 3.8Å; D132-R238 IonicContact OD2-NH1 3.51Å; D132-R238 PolarHBondContact OD2-NH1 3.21Å; D132-R238 IonicContact OD2-NH2 3.47Å; D132-R238 PolarHBondContact OD2-NH2 3.02Å; D132-Q309 PolarHBondContact OD2-NE2 3.38Å; D132-P313 HydrophobicContact CB-CB 4.25Å; D132-P313 HydrophobicContact CB-CG 4.11Å; D132-P313 WeakPolarHBondContact O-CB 3.5Å
133H74.2Confident69.7Low39 Ų3970.4 Ų70.418%0.18138%0.382CS..PPolyproline II helixtrans-78.5119.1178.9-176.974.9000110.4Y234 R238H133-Y234 HydrophobicContact CB-CE1 3.96Å; H133-Y234 PolarHBondContact N-OH 3.42Å; H133-R238 HydrophobicContact CB-CB 4Å; H133-R238 HydrophobicContact CB-CG 3.86Å; H133-R238 PolarHBondContact O-NE 2.88Å; H133-R238 PolarHBondContact O-NH2 2.79Å
134P74.9Confident71.3Confident34 Ų3470.5 Ų70.522%0.22137%0.374CS..PPolyproline II helixtrans-61143.2-175.126.6-35.7000112.2V314P134-V314 HydrophobicContact CB-CG2 3.85Å; P134-V314 HydrophobicContact CG-CG2 3.75Å
135C82.9Confident72.9Confident46 Ų4669.3 Ų69.331%0.31137%0.365SS..PPolyproline II helixtrans-71.8144.8170.8-67.10000110.7C242 N307C135-C242 WeakPolarHBondContact CA-SG 3.28Å; C135-C242 HydrophobicContact CB-CB 3.62Å; C135-C242 WeakPolarHBondContact CB-SG 2.95Å; C135-C242 WeakPolarHBondContact SG-CB 3.28Å; C135-C242 CovalentContact SG-SG 2.03Å; C135-C242 PolarHBondContact SG-SG 3.34Å; C135-N307 PolarHBondContact SG-OD1 3.05Å
136Q74.8Confident74.4Confident85 Ų8569.2 Ų69.240%0.39736%0.361SS..PPolyproline II helixtrans-64.6137.8175.3-168.2175.715.700110.7S217 D218Q136-S217 PolarHBondContact OE1-O 3.07Å; Q136-D218 PolarHBondContact NE2-OD1 2.64Å
137K69.1Low75.8Confident181 Ų18166.8 Ų66.879%0.78734%0.341SS*.PPolyproline II helixtrans-69.6140.7172.4-65.4-173.5179.7-176.80109.7N139K137-N139 PolarHBondContact O-N 2.88Å
138K63.3Low77.5Confident201 Ų20172.6 Ų72.687%0.87436%0.362SS*.THydrogen-bonded Turntrans-55.7-11.4-172.6-163.1173.2179.3-179.30116.2S140K138-S140 VanDerWaalsContact C-N 3.32Å; K138-S140 PolarHBondContact O-N 3.36Å
139N63.6Low79.2Confident153 Ų15372.1 Ų72.182%0.81836%0.358SS*.THydrogen-bonded Turntrans-88.617-173.5-65.9-5.8000114.4K137 T141K137-N139 PolarHBondContact O-N 2.88Å; N139-T141 PolarHBondContact O-N 2.61Å
140S67.5Low80.8Confident36 Ų3671.2 Ų71.225%0.25235%0.353SS..  trans-74.4125.6178.158.60000112K138 D218K138-S140 VanDerWaalsContact C-N 3.32Å; K138-S140 PolarHBondContact O-N 3.36Å; S140-D218 WeakPolarHBondContact CB-OD1 3.19Å; S140-D218 PolarHBondContact OG-OD1 3.14Å
141T80Confident82.1Confident124 Ų12472.6 Ų72.676%0.76136%0.357SS*.  trans-90.2113.9178.438.90000110.9N139N139-T141 PolarHBondContact O-N 2.61Å
142L88.2Confident83.4Confident24 Ų2475.4 Ų75.413%0.12637%0.368CS..  trans-66.1132.6173.2-174.171.4000109.8Y146 R147 I150 P215 D218 I219L142-Y146 HydrophobicContact CD1-CG 4.48Å; L142-R147 HydrophobicContact CD2-CB 4.06Å; L142-I150 HydrophobicContact CD2-CD1 3.8Å; L142-P215 HydrophobicContact CD1-CG 4.2Å; L142-D218 HydrophobicContact CD1-CB 3.88Å; L142-I219 HydrophobicContact CD1-CG1 3.76Å
143P91.3Very high84.3Confident54 Ų5486.6 Ų86.635%0.35141%0.409SS..  trans-59.4144.6177.4-22.232.1000112.2N145 Y146 R147 P215P143-N145 WeakPolarHBondContact CB-OD1 3.43Å; P143-N145 PolarHBondContact O-N 2.92Å; P143-N145 VanDerWaalsContact O-N 3.11Å; P143-Y146 HydrophobicContact CB-CD2 4.08Å; P143-Y146 HydrophobicContact CG-CD2 4.15Å; P143-Y146 PolarHBondContact O-N 3.2Å; P143-R147 PolarHBondContact O-N 3.07Å; P143-P215 HydrophobicContact CG-CG 4.41Å
144E92.2Very high85.1Confident92 Ų9290.3 Ų90.343%0.4343%0.43SS..Hα-helixtrans-58.7-32.1-168.1-177.256.7-155.100114.1R147 R148E144-R147 IonicContact OE1-CZ 2.75Å; E144-R147 IonicContact OE1-NE 2.72Å; E144-R147 IonicContact OE1-NH2 3.52Å; E144-R147 PolarHBondContact OE1-NH2 2.87Å; E144-R147 IonicContact OE2-CZ 3.72Å; E144-R147 VanDerWaalsContact OE2-CZ 3.3Å; E144-R147 IonicContact OE2-NE 2.94Å; E144-R147 PolarHBondContact OE2-NE 3.29Å; E144-R147 IonicContact OE2-NH2 3.3Å; E144-R147 PolarHBondContact OE2-NH2 3.42Å; E144-R148 WeakPolarHBondContact O-CB 3.42Å; E144-R148 WeakPolarHBondContact O-CG 3.32Å; E144-R148 PolarHBondContact O-N 2.93Å; E144-R148 WeakPolarHBondContact OE1-CG 3.39Å
145N93.2Very high86.1Confident57 Ų5789.3 Ų89.331%0.30542%0.424SS..Hα-helixtrans-65.2-43.6175.664.7-54.8000112.1P143 F149 W209P143-N145 WeakPolarHBondContact CB-OD1 3.43Å; P143-N145 PolarHBondContact O-N 2.92Å; P143-N145 VanDerWaalsContact O-N 3.11Å; N145-F149 PolarHBondContact O-N 2.94Å; N145-W209 HydrophobicContact CB-CH2 3.99Å
146Y94.1Very high86.8Confident20 Ų2093.6 Ų93.68%0.07844%0.437CS..Hα-helixtrans-69.4-41175.7-71.7-76.7000111L142 P143 R148 F149 I150 I193 S211 W213 V214 P215 I219L142-Y146 HydrophobicContact CD1-CG 4.48Å; P143-Y146 HydrophobicContact CB-CD2 4.08Å; P143-Y146 HydrophobicContact CG-CD2 4.15Å; P143-Y146 PolarHBondContact O-N 3.2Å; Y146-R148 PolarHBondContact O-N 3.43Å; Y146-F149 PolarHBondContact O-N 3.4Å; Y146-I150 WeakPolarHBondContact O-CB 3.14Å; Y146-I150 WeakPolarHBondContact O-CG1 3.45Å; Y146-I150 PolarHBondContact O-N 3.39Å; Y146-I193 HydrophobicContact CD1-CD1 4.04Å; Y146-I193 HydrophobicContact CE1-CG2 4.4Å; Y146-S211 PolarHBondContact OH-OG 3.42Å; Y146-W213 PolarHBondContact OH-O 2.93Å; Y146-V214 HydrophobicContact CE1-CG1 4.47Å; Y146-P215 HydrophobicContact CD2-CG 3.84Å; Y146-P215 VanDerWaalsContact CE2-CD 3.45Å; Y146-P215 HydrophobicContact CE2-CG 3.8Å; Y146-P215 HydrophobicContact CG-CG 4.33Å; Y146-P215 VanDerWaalsContact CZ-CD 3.47Å; Y146-I219 HydrophobicContact CD1-CD1 4.08Å; Y146-I219 HydrophobicContact CE1-CD1 4.21Å
147R94Very high87.9Confident91 Ų9189.6 Ų89.634%0.34342%0.419SS..Hα-helixtrans-57.8-50.1176.9-168.7-17870.791.5-6111.6L142 P143 E144 F149 I150 E151L142-R147 HydrophobicContact CD2-CB 4.06Å; P143-R147 PolarHBondContact O-N 3.07Å; E144-R147 IonicContact OE1-CZ 2.75Å; E144-R147 IonicContact OE1-NE 2.72Å; E144-R147 IonicContact OE1-NH2 3.52Å; E144-R147 PolarHBondContact OE1-NH2 2.87Å; E144-R147 IonicContact OE2-CZ 3.72Å; E144-R147 VanDerWaalsContact OE2-CZ 3.3Å; E144-R147 IonicContact OE2-NE 2.94Å; E144-R147 PolarHBondContact OE2-NE 3.29Å; E144-R147 IonicContact OE2-NH2 3.3Å; E144-R147 PolarHBondContact OE2-NH2 3.42Å; R147-F149 VanDerWaalsContact C-N 3.26Å; R147-F149 PolarHBondContact O-N 2.91Å; R147-I150 PolarHBondContact O-N 3.4Å; R147-E151 VanDerWaalsContact CG-CD 3.4Å; R147-E151 HydrophobicContact CG-CG 4.07Å; R147-E151 WeakPolarHBondContact CG-OE2 3.39Å; R147-E151 IonicContact CZ-OE2 3.89Å; R147-E151 IonicContact NH1-OE2 2.76Å; R147-E151 PolarHBondContact NH1-OE2 3.33Å; R147-E151 VanDerWaalsContact O-CB 3.28Å; R147-E151 WeakPolarHBondContact O-CB 3.42Å; R147-E151 WeakPolarHBondContact O-CG 3.27Å; R147-E151 PolarHBondContact O-N 3.5Å
148R94.9Very high89.3Confident152 Ų15281 Ų8157%0.57438%0.381SS*.Hα-helixtrans-59.5-33.6177-75.4-174.3-66.6155.2-3.8113.6E144 Y146 Q152E144-R148 WeakPolarHBondContact O-CB 3.42Å; E144-R148 WeakPolarHBondContact O-CG 3.32Å; E144-R148 PolarHBondContact O-N 2.93Å; E144-R148 WeakPolarHBondContact OE1-CG 3.39Å; Y146-R148 PolarHBondContact O-N 3.43Å; R148-Q152 PolarHBondContact O-NE2 3.23Å
149F95.3Very high91Very high19 Ų1971.4 Ų71.48%0.08334%0.34CS..Hα-helixtrans-73.3-47.1176.5-178.6-109000112.2N145 Y146 R147 Q152 R191 I193 H207 W209N145-F149 PolarHBondContact O-N 2.94Å; Y146-F149 PolarHBondContact O-N 3.4Å; R147-F149 VanDerWaalsContact C-N 3.26Å; R147-F149 PolarHBondContact O-N 2.91Å; F149-Q152 WeakPolarHBondContact O-CG 3.27Å; F149-R191 HydrophobicContact CD1-CB 4.2Å; F149-R191 HydrophobicContact CE1-CB 3.67Å; F149-R191 HydrophobicContact CE1-CG 4.37Å; F149-R191 HydrophobicContact CZ-CB 3.98Å; F149-R191 HydrophobicContact CZ-CG 4.45Å; F149-R191 WeakPolarHBondContact O-CG 3.38Å; F149-I193 HydrophobicContact CD1-CD1 4.22Å; F149-I193 HydrophobicContact CD1-CG1 3.87Å; F149-I193 HydrophobicContact CE1-CD1 4.47Å; F149-I193 HydrophobicContact CE1-CG1 3.65Å; F149-H207 WeakPolarHBondContact CZ-O 3.34Å; F149-W209 HydrophobicContact CB-CE3 3.62Å; F149-W209 HydrophobicContact CB-CZ3 3.7Å; F149-W209 HydrophobicContact CD1-CB 4.13Å; F149-W209 HydrophobicContact CD1-CE3 4.02Å; F149-W209 AromaticContact CD2-CE3 3.53Å; F149-W209 HydrophobicContact CD2-CE3 3.53Å; F149-W209 HydrophobicContact CD2-CZ3 4.18Å; F149-W209 HydrophobicContact CE1-CB 3.61Å; F149-W209 HydrophobicContact CE2-CB 4.03Å; F149-W209 HydrophobicContact CE2-CE3 4.1Å; F149-W209 HydrophobicContact CG-CD2 4.4Å; F149-W209 AromaticContact CG-CE3 3.45Å; F149-W209 HydrophobicContact CG-CE3 3.45Å; F149-W209 VanDerWaalsContact CG-CE3 3.45Å; F149-W209 HydrophobicContact CG-CZ3 4.06Å; F149-W209 HydrophobicContact CZ-CB 3.54Å
150I96.2Very high92.6Very high0 Ų064.1 Ų64.10%030%0.301CS..Hα-helixtrans-68.5-38.3-177.9-70.4-177.4000111.8L142 Y146 R147 Q152 T158 I193 I219 H222 K224L142-I150 HydrophobicContact CD2-CD1 3.8Å; Y146-I150 WeakPolarHBondContact O-CB 3.14Å; Y146-I150 WeakPolarHBondContact O-CG1 3.45Å; Y146-I150 PolarHBondContact O-N 3.39Å; R147-I150 PolarHBondContact O-N 3.4Å; I150-Q152 VanDerWaalsContact C-N 3.31Å; I150-Q152 PolarHBondContact O-N 3.45Å; I150-T158 HydrophobicContact CD1-CG2 4.24Å; I150-T158 HydrophobicContact CG1-CG2 4.02Å; I150-T158 WeakPolarHBondContact CG2-OG1 3.22Å; I150-I193 HydrophobicContact CD1-CD1 3.84Å; I150-I193 HydrophobicContact CG1-CD1 3.94Å; I150-I219 HydrophobicContact CD1-CG1 4.29Å; I150-I219 HydrophobicContact CD1-CG2 4.06Å; I150-H222 VanDerWaalsContact CG2-CE1 3.4Å; I150-H222 WeakPolarHBondContact CG2-CE1 3.35Å; I150-H222 VanDerWaalsContact CG2-ND1 3.33Å; I150-H222 WeakPolarHBondContact CG2-ND1 3.49Å; I150-K224 HydrophobicContact CG2-CB 3.87Å; I150-K224 HydrophobicContact CG2-CD 4.42Å; I150-K224 WeakPolarHBondContact O-CD 3.39Å
151E95.1Very high94Very high73 Ų7362.4 Ų62.434%0.34129%0.289SS..THydrogen-bonded Turntrans-84.12.8-170.9-69.5-175.216300115R147 R153 H222 K224R147-E151 VanDerWaalsContact CG-CD 3.4Å; R147-E151 HydrophobicContact CG-CG 4.07Å; R147-E151 WeakPolarHBondContact CG-OE2 3.39Å; R147-E151 IonicContact CZ-OE2 3.89Å; R147-E151 IonicContact NH1-OE2 2.76Å; R147-E151 PolarHBondContact NH1-OE2 3.33Å; R147-E151 VanDerWaalsContact O-CB 3.28Å; R147-E151 WeakPolarHBondContact O-CB 3.42Å; R147-E151 WeakPolarHBondContact O-CG 3.27Å; R147-E151 PolarHBondContact O-N 3.5Å; E151-R153 PolarHBondContact O-N 3.12Å; E151-H222 IonicContact OE1-NE2 2.8Å; E151-K224 PolarHBondContact O-NZ 3.07Å
152Q94.2Very high94.7Very high91 Ų9156.5 Ų56.543%0.42525%0.253SS..  trans-46.4130.7175.8-69.1-64.1-35.400112.1R148 F149 I150 N154 S155 K224R148-Q152 PolarHBondContact O-NE2 3.23Å; F149-Q152 WeakPolarHBondContact O-CG 3.27Å; I150-Q152 VanDerWaalsContact C-N 3.31Å; I150-Q152 PolarHBondContact O-N 3.45Å; Q152-N154 VanDerWaalsContact C-N 3.33Å; Q152-N154 PolarHBondContact O-N 3.21Å; Q152-S155 WeakPolarHBondContact O-CB 3.38Å; Q152-S155 PolarHBondContact O-N 3.02Å; Q152-K224 PolarHBondContact O-NZ 3.47Å
153R91.4Very high94.7Very high246 Ų24655.7 Ų55.793%0.92825%0.248SC*.THydrogen-bonded Turntrans-66.4-32.7-169.7-73.3-172.5177.4-158.10.3113.5E151 S155E151-R153 PolarHBondContact O-N 3.12Å; R153-S155 VanDerWaalsContact C-N 3.28Å; R153-S155 PolarHBondContact O-N 3.24Å
154N92Very high94.1Very high117 Ų11753.5 Ų53.563%0.62624%0.235SC*.THydrogen-bonded Turntrans-81.6-3.2-179.961.9-14.2000113.8Q152Q152-N154 VanDerWaalsContact C-N 3.33Å; Q152-N154 PolarHBondContact O-N 3.21Å
155S95.7Very high93Very high13 Ų1356.1 Ų56.19%0.09125%0.247CC..  trans-86133.2-179.61790000112.1Q152 R153 G157Q152-S155 WeakPolarHBondContact O-CB 3.38Å; Q152-S155 PolarHBondContact O-N 3.02Å; R153-S155 VanDerWaalsContact C-N 3.28Å; R153-S155 PolarHBondContact O-N 3.24Å; S155-G157 VanDerWaalsContact C-N 3.26Å; S155-G157 PolarHBondContact OG-N 3.37Å; S155-G157 VanDerWaalsContact OG-N 3.11Å; S155-G157 PolarHBondContact OG-O 3.2Å
156K96.6Very high91.7Very high136 Ų13655.4 Ų55.459%0.59125%0.249SC*.SBendtrans-74.3-16.1170.5-66.9-175.7-173.4165.20113.4D189 Y190K156-D189 HydrophobicContact CD-CB 4.02Å; K156-D189 WeakPolarHBondContact CD-OD2 3.32Å; K156-D189 WeakPolarHBondContact CE-OD2 3.17Å; K156-D189 HydrophobicContact CG-CB 4.34Å; K156-D189 PolarHBondContact N-O 3.43Å; K156-D189 IonicContact NZ-OD2 3.07Å; K156-D189 PolarHBondContact NZ-OD2 2.98Å; K156-Y190 HydrophobicContact CB-CD1 4.06Å; K156-Y190 HydrophobicContact CB-CE1 3.65Å; K156-Y190 HydrophobicContact CD-CE2 4.49Å
157G97.7Very high90.6Very high1 Ų156.3 Ų56.31%0.0125%0.253CS..  trans157.6178.1-178.400000112.6S155 Y190 R191 K224S155-G157 VanDerWaalsContact C-N 3.26Å; S155-G157 PolarHBondContact OG-N 3.37Å; S155-G157 VanDerWaalsContact OG-N 3.11Å; S155-G157 PolarHBondContact OG-O 3.2Å; G157-Y190 WeakPolarHBondContact O-CA 3.39Å; G157-R191 PolarHBondContact O-N 3.17Å; G157-K224 CarbonylContact C-O 3.38Å; G157-K224 WeakPolarHBondContact CA-O 2.9Å
158T98.4Very high89.7Confident0 Ų056.8 Ų56.80%026%0.258CS..EExtended strand (participates in β ladder)trans-111.3133.5179.7-59.30000110.6I150 R191 I193 K224 T225 V226I150-T158 HydrophobicContact CD1-CG2 4.24Å; I150-T158 HydrophobicContact CG1-CG2 4.02Å; I150-T158 WeakPolarHBondContact CG2-OG1 3.22Å; T158-R191 CarbonylContact C-O 3.31Å; T158-R191 VanDerWaalsContact CA-O 3.27Å; T158-R191 WeakPolarHBondContact CA-O 3.4Å; T158-I193 HydrophobicContact CG2-CD1 3.99Å; T158-I193 HydrophobicContact CG2-CG1 4.16Å; T158-K224 PolarHBondContact N-O 2.92Å; T158-T225 CarbonylContact O-C 3.58Å; T158-T225 WeakPolarHBondContact O-CA 3.26Å; T158-V226 WeakPolarHBondContact O-CG2 3.28Å; T158-V226 PolarHBondContact O-N 2.98Å
159I98.7Very high88.7Confident0 Ų050.4 Ų50.40%024%0.238CC..EExtended strand (participates in β ladder)trans-104.2117.8170.7-56.7168.5000106.1V161 L187 Y190 R191 I192 I193 A227 V229 L286 L290I159-V161 HydrophobicContact CG2-CG2 4.22Å; I159-L187 HydrophobicContact CD1-CD1 3.94Å; I159-Y190 HydrophobicContact CD1-CD1 4.46Å; I159-Y190 HydrophobicContact CD1-CD2 4.42Å; I159-Y190 HydrophobicContact CD1-CG 3.97Å; I159-Y190 HydrophobicContact CG1-CD1 4.45Å; I159-Y190 HydrophobicContact CG1-CG 4.39Å; I159-R191 PolarHBondContact N-O 3.44Å; I159-I192 HydrophobicContact CB-CG1 4.27Å; I159-I192 HydrophobicContact CD1-CD1 4.49Å; I159-I192 HydrophobicContact CD1-CG1 4.22Å; I159-I192 WeakPolarHBondContact O-CA 3.36Å; I159-I193 PolarHBondContact O-N 3.21Å; I159-A227 WeakPolarHBondContact CA-O 3.38Å; I159-A227 HydrophobicContact CG1-CB 4.3Å; I159-A227 HydrophobicContact CG2-CB 4.28Å; I159-V229 HydrophobicContact CG2-CG2 4.19Å; I159-L286 HydrophobicContact CD1-CD2 4.32Å; I159-L286 HydrophobicContact CG2-CD2 3.77Å; I159-L290 HydrophobicContact CD1-CD1 3.94Å; I159-L290 HydrophobicContact CG1-CD2 4.37Å
160L98.3Very high87.9Confident0 Ų056 Ų560%027%0.269CS..EExtended strand (participates in β ladder)trans-90.9132170.9-179.660.2000108.9A162 I193 V214 Q216 I219 L220 A227 F228 V229L160-A162 HydrophobicContact CG-CB 4.38Å; L160-I193 HydrophobicContact CD1-CB 3.99Å; L160-I193 HydrophobicContact CD1-CG2 3.95Å; L160-V214 HydrophobicContact CD1-CG2 3.95Å; L160-Q216 HydrophobicContact CD2-CB 4.42Å; L160-Q216 HydrophobicContact CD2-CG 3.89Å; L160-I219 HydrophobicContact CB-CG2 4.21Å; L160-I219 HydrophobicContact CD1-CD1 4.27Å; L160-I219 HydrophobicContact CD1-CG2 4.19Å; L160-I219 HydrophobicContact CD2-CB 4.29Å; L160-I219 HydrophobicContact CD2-CG2 4.03Å; L160-I219 HydrophobicContact CG-CG2 4.37Å; L160-L220 HydrophobicContact CD2-CD1 4.37Å; L160-L220 HydrophobicContact CD2-CD2 3.88Å; L160-L220 HydrophobicContact CD2-CG 3.75Å; L160-A227 PolarHBondContact N-O 3.25Å; L160-F228 HydrophobicContact CB-CD2 4.03Å; L160-F228 HydrophobicContact CD2-CD2 4.06Å; L160-F228 HydrophobicContact CD2-CE2 3.92Å; L160-F228 HydrophobicContact CG-CD2 3.96Å; L160-F228 HydrophobicContact CG-CE2 3.99Å; L160-F228 CarbonylContact O-C 3.6Å; L160-F228 WeakPolarHBondContact O-CA 3.34Å; L160-F228 WeakPolarHBondContact O-CD2 3.33Å; L160-V229 PolarHBondContact O-N 3.27Å
161V96.8Very high87.1Confident0 Ų059.1 Ų59.10%029%0.29CS..EExtended strand (participates in β ladder)trans-119.7110172.3-176.60000106.8I159 F163 F184 I192 I193 W194 Q195 V229I159-V161 HydrophobicContact CG2-CG2 4.22Å; V161-F163 HydrophobicContact CG1-CD2 4.29Å; V161-F163 HydrophobicContact CG1-CE2 3.55Å; V161-F163 HydrophobicContact CG1-CZ 4.25Å; V161-F184 HydrophobicContact CB-CZ 4.35Å; V161-F184 HydrophobicContact CG1-CE2 4.4Å; V161-F184 HydrophobicContact CG1-CZ 3.98Å; V161-F184 HydrophobicContact CG2-CE1 4.07Å; V161-F184 HydrophobicContact CG2-CE2 4.13Å; V161-F184 HydrophobicContact CG2-CZ 3.61Å; V161-I192 HydrophobicContact CG2-CG2 4Å; V161-I193 PolarHBondContact N-O 3.06Å; V161-W194 HydrophobicContact CB-CB 4.47Å; V161-W194 HydrophobicContact CB-CG 4.37Å; V161-W194 VanDerWaalsContact CG1-CD1 3.43Å; V161-W194 HydrophobicContact CG1-CG 4.39Å; V161-Q195 PolarHBondContact O-N 3.41Å; V161-Q195 VanDerWaalsContact O-O 3.13Å; V161-V229 WeakPolarHBondContact CA-O 3.01Å; V161-V229 HydrophobicContact CB-CB 4.17Å; V161-V229 HydrophobicContact CG1-CB 3.97Å; V161-V229 HydrophobicContact CG1-CG1 4.11Å; V161-V229 HydrophobicContact CG2-CB 3.96Å; V161-V229 HydrophobicContact CG2-CG2 3.85Å
162A94.1Very high86.7Confident0 Ų057 Ų570%028%0.281CS..EExtended strand (participates in β ladder)trans-144.4121.1-179.400000112.6L160 Q195 F228 V229L160-A162 HydrophobicContact CG-CB 4.38Å; A162-Q195 WeakPolarHBondContact CA-O 3.49Å; A162-Q195 HydrophobicContact CB-CB 4.41Å; A162-F228 HydrophobicContact CB-CE2 3.93Å; A162-F228 HydrophobicContact CB-CZ 4.49Å; A162-V229 PolarHBondContact N-O 2.96Å
163F89Confident86.5Confident7 Ų756.8 Ų56.83%0.03129%0.287CS..  trans-99.87.9-179.9-63.7-85.4000113.9V161 F167 M180 Q195 V229 H231 M250 I252V161-F163 HydrophobicContact CG1-CD2 4.29Å; V161-F163 HydrophobicContact CG1-CE2 3.55Å; V161-F163 HydrophobicContact CG1-CZ 4.25Å; F163-F167 HydrophobicContact CB-CB 4.41Å; F163-F167 HydrophobicContact CB-CD2 4.42Å; F163-F167 WeakPolarHBondContact O-CD2 3.43Å; F163-M180 HydrophobicContact CE2-CE 4.36Å; F163-M180 HydrophobicContact CE2-SD 3.74Å; F163-M180 HydrophobicContact CZ-SD 3.81Å; F163-Q195 PolarHBondContact N-O 3.49Å; F163-V229 HydrophobicContact CZ-CG1 4.05Å; F163-H231 VanDerWaalsContact C-ND1 3.29Å; F163-H231 HydrophobicContact CB-CB 4.32Å; F163-H231 HydrophobicContact CD1-CB 3.83Å; F163-H231 PolarHBondContact O-CE1 3.38Å; F163-H231 PolarHBondContact O-ND1 3.26Å; F163-M250 HydrophobicContact CE1-CB 4.07Å; F163-M250 HydrophobicContact CE1-CG 4.32Å; F163-M250 HydrophobicContact CE1-SD 3.83Å; F163-M250 HydrophobicContact CZ-CE 4.42Å; F163-M250 HydrophobicContact CZ-SD 3.99Å; F163-I252 HydrophobicContact CB-CD1 4.48Å; F163-I252 HydrophobicContact CD1-CD1 4.02Å
164G77.4Confident86.4Confident8 Ų849.8 Ų49.88%0.08227%0.265CS..  trans88.8171.4177.400000114.2A166G164-A166 PolarHBondContact O-N 2.99Å
165H70.8Confident86.3Confident148 Ų14850.7 Ų50.769%0.68527%0.266SS*.THydrogen-bonded Turntrans-72.9-25.4-171.2-59.269.5000114.8F167 W213H165-F167 PolarHBondContact O-N 2.65Å; H165-W213 AromaticContact CD2-CD1 3.9Å; H165-W213 AromaticContact CD2-NE1 3.81Å; H165-W213 AromaticContact NE2-CD1 3.74Å; H165-W213 AromaticContact NE2-NE1 3.19Å; H165-W213 PolarHBondContact NE2-NE1 3.48Å; H165-W213 VanDerWaalsContact NE2-NE1 3.19Å
166A64.9Low86.2Confident41 Ų4151 Ų5134%0.33927%0.267SS..THydrogen-bonded Turntrans-73-17-178.100000112.9F60 G164F60-A166 HydrophobicContact CD2-CB 4.02Å; F60-A166 HydrophobicContact CE2-CB 3.76Å; F60-A166 HydrophobicContact CZ-CB 4.1Å; G164-A166 PolarHBondContact O-N 2.99Å
167F70.9Confident85.9Confident39 Ų3946.9 Ų46.917%0.17125%0.248CC..  trans-99.3122.4-177.9-65.9-83.1000110.6F163 H165 P196 I252 F253F163-F167 HydrophobicContact CB-CB 4.41Å; F163-F167 HydrophobicContact CB-CD2 4.42Å; F163-F167 WeakPolarHBondContact O-CD2 3.43Å; H165-F167 PolarHBondContact O-N 2.65Å; F167-P196 HydrophobicContact CB-CG 4.36Å; F167-P196 WeakPolarHBondContact O-CB 3.33Å; F167-P196 WeakPolarHBondContact O-CG 3.41Å; F167-I252 HydrophobicContact CD1-CD1 3.99Å; F167-I252 HydrophobicContact CD2-CD1 4.19Å; F167-I252 HydrophobicContact CE1-CB 4.33Å; F167-I252 HydrophobicContact CE1-CD1 3.48Å; F167-I252 VanDerWaalsContact CE1-CD1 3.48Å; F167-I252 HydrophobicContact CE1-CG1 4.46Å; F167-I252 HydrophobicContact CE1-CG2 3.77Å; F167-I252 HydrophobicContact CE2-CD1 3.67Å; F167-I252 HydrophobicContact CG-CD1 4.29Å; F167-I252 HydrophobicContact CZ-CB 3.83Å; F167-I252 HydrophobicContact CZ-CD1 3.24Å; F167-I252 HydrophobicContact CZ-CG1 4.08Å; F167-I252 HydrophobicContact CZ-CG2 3.72Å; F167-F253 HydrophobicContact CE1-CE1 4.19Å; F167-F253 AromaticContact CE2-CE1 4Å; F167-F253 HydrophobicContact CE2-CE1 4Å; F167-F253 AromaticContact CZ-CD1 3.89Å; F167-F253 HydrophobicContact CZ-CD1 3.89Å; F167-F253 AromaticContact CZ-CE1 3.34Å; F167-F253 HydrophobicContact CZ-CE1 3.34Å; F167-F253 HydrophobicContact CZ-CZ 4.33Å
168K74.7Confident85.6Confident102 Ų10251 Ų5144%0.44327%0.266SS..  trans-97.6152.8174.6-65175.6-173.1167.60109K23 N170 S171K23-K168 PolarHBondContact O-NZ 2.97Å; K168-N170 WeakPolarHBondContact CB-OD1 3.39Å; K168-N170 PolarHBondContact O-N 3.37Å; K168-S171 PolarHBondContact N-OG 3.38Å; K168-S171 PolarHBondContact O-N 3.5Å; K168-S171 PolarHBondContact O-OG 2.96Å
169A75.5Confident85.4Confident17 Ų1751.2 Ų51.214%0.1427%0.268CS..G310 helixtrans-55.2-40.3-18000000111.5S171 I172 P196 E198A169-S171 VanDerWaalsContact C-N 3.26Å; A169-S171 PolarHBondContact O-N 3.32Å; A169-I172 PolarHBondContact O-N 3.47Å; A169-P196 HydrophobicContact CB-CB 4.42Å; A169-E198 HydrophobicContact CB-CG 4.22Å
170N78.1Confident85.2Confident138 Ų13851.2 Ų51.274%0.73827%0.269SS*.G310 helixtrans-68.3-15.1178.268.2-12.3000115.4K168K168-N170 WeakPolarHBondContact CB-OD1 3.39Å; K168-N170 PolarHBondContact O-N 3.37Å
171S80.2Confident84.9Confident65 Ų6552.1 Ų52.146%0.45527%0.273SS..G310 helixtrans-87-6.3175.563.80000113.7K168 A169 P173K168-S171 PolarHBondContact N-OG 3.38Å; K168-S171 PolarHBondContact O-N 3.5Å; K168-S171 PolarHBondContact O-OG 2.96Å; A169-S171 VanDerWaalsContact C-N 3.26Å; A169-S171 PolarHBondContact O-N 3.32Å; S171-P173 WeakPolarHBondContact O-CD 3.29Å
172I85.3Confident84.8Confident29 Ų2953.1 Ų53.115%0.14928%0.284CS..SBendtrans-84.2122.5178.4-59.2178.6000108.2A169 E174 V176 R177 M180 P196A169-I172 PolarHBondContact O-N 3.47Å; I172-E174 PolarHBondContact O-N 2.98Å; I172-V176 HydrophobicContact CG2-CB 4.08Å; I172-V176 HydrophobicContact CG2-CG1 4.21Å; I172-R177 HydrophobicContact CG2-CB 4.1Å; I172-M180 HydrophobicContact CD1-CE 4.42Å; I172-M180 HydrophobicContact CG2-CE 4.18Å; I172-P196 HydrophobicContact CD1-CG 3.77Å
173P89.6Confident84.9Confident85 Ų8553.1 Ų53.155%0.55228%0.284SS*.  trans-58.1138.4174.4-23.633.6000111.3S171 Q175 V176 R177S171-P173 WeakPolarHBondContact O-CD 3.29Å; P173-Q175 PolarHBondContact O-N 3.39Å; P173-Q175 VanDerWaalsContact O-N 3.15Å; P173-V176 HydrophobicContact CB-CG2 4.16Å; P173-V176 HydrophobicContact CG-CG2 4.32Å; P173-V176 WeakPolarHBondContact O-CA 3.41Å; P173-V176 WeakPolarHBondContact O-CB 3.42Å; P173-V176 PolarHBondContact O-N 3Å; P173-R177 PolarHBondContact O-N 3.38Å
174E89.4Confident85.3Confident99 Ų9952.8 Ų52.846%0.46328%0.282SS..Hα-helixtrans-56.2-38-174.2-177.758.4-164.800112.6I172 V176 R177 Q178I172-E174 PolarHBondContact O-N 2.98Å; E174-V176 VanDerWaalsContact C-N 3.31Å; E174-V176 PolarHBondContact O-N 3.46Å; E174-R177 PolarHBondContact O-N 3.4Å; E174-R177 IonicContact OE1-CZ 3.65Å; E174-R177 IonicContact OE1-NE 3.38Å; E174-R177 IonicContact OE1-NH2 3.55Å; E174-R177 PolarHBondContact OE1-NH2 3.1Å; E174-R177 IonicContact OE2-CZ 2.79Å; E174-R177 IonicContact OE2-NE 3.72Å; E174-R177 PolarHBondContact OE2-NE 2.88Å; E174-R177 IonicContact OE2-NH2 3.52Å; E174-R177 PolarHBondContact OE2-NH2 3.1Å; E174-Q178 HydrophobicContact CG-CG 4.23Å; E174-Q178 WeakPolarHBondContact O-CB 3.31Å; E174-Q178 VanDerWaalsContact O-CG 3.32Å; E174-Q178 WeakPolarHBondContact O-CG 3.41Å; E174-Q178 PolarHBondContact O-N 3.5Å; E174-Q178 VanDerWaalsContact OE1-CG 3.31Å; E174-Q178 WeakPolarHBondContact OE1-CG 3.29Å; E174-Q178 PolarHBondContact OE1-NE2 2.9Å
175Q91.3Very high86.1Confident136 Ų13656.1 Ų56.164%0.63630%0.298SS*.Hα-helixtrans-57.2-42.8174.7-175.4-176.5700112.5P173 A179P173-Q175 PolarHBondContact O-N 3.39Å; P173-Q175 VanDerWaalsContact O-N 3.15Å; Q175-A179 VanDerWaalsContact O-CB 3.3Å; Q175-A179 WeakPolarHBondContact O-CB 3.14Å; Q175-A179 PolarHBondContact O-N 3.41Å
176V92.5Very high87.3Confident19 Ų1954.7 Ų54.712%0.11529%0.286CS..Hα-helixtrans-70.2-41.7179.3-177.60000110I172 P173 E174 A179 M180 M250 I277I172-V176 HydrophobicContact CG2-CB 4.08Å; I172-V176 HydrophobicContact CG2-CG1 4.21Å; P173-V176 HydrophobicContact CB-CG2 4.16Å; P173-V176 HydrophobicContact CG-CG2 4.32Å; P173-V176 WeakPolarHBondContact O-CA 3.41Å; P173-V176 WeakPolarHBondContact O-CB 3.42Å; P173-V176 PolarHBondContact O-N 3Å; E174-V176 VanDerWaalsContact C-N 3.31Å; E174-V176 PolarHBondContact O-N 3.46Å; V176-A179 PolarHBondContact O-N 3.33Å; V176-M180 HydrophobicContact CG1-CE 4.19Å; V176-M180 WeakPolarHBondContact O-CG 2.88Å; V176-M180 PolarHBondContact O-N 2.67Å; V176-M250 HydrophobicContact CG1-SD 4.46Å; V176-I277 HydrophobicContact CB-CG2 4.22Å; V176-I277 HydrophobicContact CG1-CD1 4.41Å; V176-I277 HydrophobicContact CG1-CG2 4.24Å; V176-I277 HydrophobicContact CG2-CG2 3.93Å
177R90.5Very high88.8Confident50 Ų5052.8 Ų52.819%0.18927%0.271CS..Hα-helixtrans-60.4-48.8176.9-166.6-174.373.789.53.1111.5I172 P173 E174 M180 L181 W194 E201I172-R177 HydrophobicContact CG2-CB 4.1Å; P173-R177 PolarHBondContact O-N 3.38Å; E174-R177 PolarHBondContact O-N 3.4Å; E174-R177 IonicContact OE1-CZ 3.65Å; E174-R177 IonicContact OE1-NE 3.38Å; E174-R177 IonicContact OE1-NH2 3.55Å; E174-R177 PolarHBondContact OE1-NH2 3.1Å; E174-R177 IonicContact OE2-CZ 2.79Å; E174-R177 IonicContact OE2-NE 3.72Å; E174-R177 PolarHBondContact OE2-NE 2.88Å; E174-R177 IonicContact OE2-NH2 3.52Å; E174-R177 PolarHBondContact OE2-NH2 3.1Å; R177-M180 PolarHBondContact O-N 2.75Å; R177-L181 WeakPolarHBondContact O-CB 3.31Å; R177-L181 PolarHBondContact O-N 2.92Å; R177-W194 HydrophobicContact CG-CH2 3.77Å; R177-W194 HydrophobicContact CG-CZ2 4.03Å; R177-E201 IonicContact NH1-OE1 3.35Å; R177-E201 IonicContact NH1-OE2 2.72Å; R177-E201 PolarHBondContact NH1-OE2 2.88Å
178Q91.7Very high90Very high87 Ų8755.1 Ų55.141%0.40729%0.288SS..Hα-helixtrans-64.5-41.2178.4-70.9-64.4-14.400112.4E174 M180 L181 G182E174-Q178 HydrophobicContact CG-CG 4.23Å; E174-Q178 WeakPolarHBondContact O-CB 3.31Å; E174-Q178 VanDerWaalsContact O-CG 3.32Å; E174-Q178 WeakPolarHBondContact O-CG 3.41Å; E174-Q178 PolarHBondContact O-N 3.5Å; E174-Q178 VanDerWaalsContact OE1-CG 3.31Å; E174-Q178 WeakPolarHBondContact OE1-CG 3.29Å; E174-Q178 PolarHBondContact OE1-NE2 2.9Å; Q178-M180 VanDerWaalsContact C-N 3.34Å; Q178-M180 PolarHBondContact O-N 3.39Å; Q178-L181 PolarHBondContact O-N 3.25Å; Q178-G182 PolarHBondContact O-N 2.71Å
179A94.2Very high91.1Very high5 Ų552 Ų524%0.04128%0.276CS..Hα-helixtrans-58.2-47.8174.900000111.4Q175 V176 A183 I277 S279Q175-A179 VanDerWaalsContact O-CB 3.3Å; Q175-A179 WeakPolarHBondContact O-CB 3.14Å; Q175-A179 PolarHBondContact O-N 3.41Å; V176-A179 PolarHBondContact O-N 3.33Å; A179-A183 PolarHBondContact O-N 3Å; A179-I277 HydrophobicContact CB-CB 4.38Å; A179-I277 HydrophobicContact CB-CD1 4.17Å; A179-I277 HydrophobicContact CB-CG1 3.89Å; A179-I277 HydrophobicContact CB-CG2 3.91Å; A179-S279 WeakPolarHBondContact CA-OG 3.45Å; A179-S279 VanDerWaalsContact O-CA 3.26Å; A179-S279 WeakPolarHBondContact O-CA 3.42Å; A179-S279 PolarHBondContact O-OG 2.8Å; A179-S279 VanDerWaalsContact O-OG 3.07Å
180M93.9Very high92.2Very high1 Ų152 Ų521%0.00527%0.272CS..Hα-helixtrans-61.1-51.7175.7-72.6-168.2-64.400112.1F163 I172 V176 R177 Q178 G182 A183 F184 W194 I277 M282F163-M180 HydrophobicContact CE2-CE 4.36Å; F163-M180 HydrophobicContact CE2-SD 3.74Å; F163-M180 HydrophobicContact CZ-SD 3.81Å; I172-M180 HydrophobicContact CD1-CE 4.42Å; I172-M180 HydrophobicContact CG2-CE 4.18Å; V176-M180 HydrophobicContact CG1-CE 4.19Å; V176-M180 WeakPolarHBondContact O-CG 2.88Å; V176-M180 PolarHBondContact O-N 2.67Å; R177-M180 PolarHBondContact O-N 2.75Å; Q178-M180 VanDerWaalsContact C-N 3.34Å; Q178-M180 PolarHBondContact O-N 3.39Å; M180-G182 PolarHBondContact O-N 3.25Å; M180-A183 WeakPolarHBondContact O-CB 3.02Å; M180-A183 PolarHBondContact O-N 2.87Å; M180-A183 VanDerWaalsContact O-N 3.1Å; M180-F184 HydrophobicContact CB-CD2 4.44Å; M180-F184 HydrophobicContact CB-CE1 4.44Å; M180-F184 HydrophobicContact CB-CE2 3.76Å; M180-F184 HydrophobicContact CB-CZ 3.74Å; M180-F184 HydrophobicContact CG-CZ 4.19Å; M180-F184 VanDerWaalsContact O-CD1 3.27Å; M180-F184 WeakPolarHBondContact O-CD1 3.19Å; M180-F184 WeakPolarHBondContact O-CD2 3.37Å; M180-F184 WeakPolarHBondContact O-CG 3.44Å; M180-F184 PolarHBondContact O-N 3.18Å; M180-F184 HydrophobicContact SD-CZ 4.35Å; M180-W194 HydrophobicContact CB-CZ2 4.35Å; M180-W194 HydrophobicContact CE-CZ2 3.81Å; M180-I277 HydrophobicContact CG-CD1 4.4Å; M180-M282 HydrophobicContact CG-CE 4.04Å
181L92.7Very high93.1Very high18 Ų1846.4 Ų46.49%0.09424%0.241CC..Hα-helixtrans-59.2-45.9-178.7-18058.5000111.9R177 Q178 A183 F184 L185 W194 L203 I208R177-L181 WeakPolarHBondContact O-CB 3.31Å; R177-L181 PolarHBondContact O-N 2.92Å; Q178-L181 PolarHBondContact O-N 3.25Å; L181-A183 PolarHBondContact O-N 3.07Å; L181-F184 PolarHBondContact O-N 2.95Å; L181-L185 HydrophobicContact CD1-CD1 4.16Å; L181-L185 HydrophobicContact CD1-CD2 4.32Å; L181-L185 HydrophobicContact CD1-CG 3.94Å; L181-L185 HydrophobicContact CG-CD1 3.98Å; L181-L185 HydrophobicContact CG-CG 4.25Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.04Å; L181-W194 HydrophobicContact CB-CH2 4.28Å; L181-W194 HydrophobicContact CB-CZ3 4.41Å; L181-W194 HydrophobicContact CD1-CZ3 4.16Å; L181-L203 HydrophobicContact CD1-CD1 4.2Å; L181-L203 HydrophobicContact CD1-CD2 3.84Å; L181-L203 HydrophobicContact CD2-CD2 3.99Å; L181-I208 HydrophobicContact CD1-CD1 4.21Å
182G94.5Very high93.9Very high22 Ų2243.3 Ų43.323%0.22722%0.22CC..Hα-helixtrans-60.5-31.1177.400000113.4Q178 M180 R186Q178-G182 PolarHBondContact O-N 2.71Å; M180-G182 PolarHBondContact O-N 3.25Å; G182-R186 WeakPolarHBondContact O-CD 3.17Å; G182-R186 WeakPolarHBondContact O-CG 3.49Å
183A96.8Very high94.4Very high0 Ų042 Ų420%021%0.213CC..Hα-helixtrans-74-42.5171.400000112.4A179 M180 L181 R186 M282A179-A183 PolarHBondContact O-N 3Å; M180-A183 WeakPolarHBondContact O-CB 3.02Å; M180-A183 PolarHBondContact O-N 2.87Å; M180-A183 VanDerWaalsContact O-N 3.1Å; L181-A183 PolarHBondContact O-N 3.07Å; A183-R186 PolarHBondContact O-N 2.8Å; A183-M282 HydrophobicContact CB-CB 3.74Å; A183-M282 HydrophobicContact CB-CG 3.49Å; A183-M282 VanDerWaalsContact CB-CG 3.49Å
184F95.8Very high94.6Very high0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-66.8-37.8-177.5-60.8-14000112.5V161 M180 L181 R186 L187 I192 W194 H207 I208 M282 L286V161-F184 HydrophobicContact CB-CZ 4.35Å; V161-F184 HydrophobicContact CG1-CE2 4.4Å; V161-F184 HydrophobicContact CG1-CZ 3.98Å; V161-F184 HydrophobicContact CG2-CE1 4.07Å; V161-F184 HydrophobicContact CG2-CE2 4.13Å; V161-F184 HydrophobicContact CG2-CZ 3.61Å; M180-F184 HydrophobicContact CB-CD2 4.44Å; M180-F184 HydrophobicContact CB-CE1 4.44Å; M180-F184 HydrophobicContact CB-CE2 3.76Å; M180-F184 HydrophobicContact CB-CZ 3.74Å; M180-F184 HydrophobicContact CG-CZ 4.19Å; M180-F184 VanDerWaalsContact O-CD1 3.27Å; M180-F184 WeakPolarHBondContact O-CD1 3.19Å; M180-F184 WeakPolarHBondContact O-CD2 3.37Å; M180-F184 WeakPolarHBondContact O-CG 3.44Å; M180-F184 PolarHBondContact O-N 3.18Å; M180-F184 HydrophobicContact SD-CZ 4.35Å; L181-F184 PolarHBondContact O-N 2.95Å; F184-R186 PolarHBondContact O-N 3.41Å; F184-L187 PolarHBondContact O-N 2.81Å; F184-L187 VanDerWaalsContact O-N 3.16Å; F184-I192 HydrophobicContact CB-CD1 3.53Å; F184-I192 HydrophobicContact CD1-CD1 4.08Å; F184-I192 HydrophobicContact CD2-CG2 4.25Å; F184-I192 HydrophobicContact CG-CD1 3.93Å; F184-I192 HydrophobicContact CG-CG2 4.22Å; F184-I192 WeakPolarHBondContact O-CD1 3.13Å; F184-W194 HydrophobicContact CD2-CD2 4.09Å; F184-W194 HydrophobicContact CD2-CE3 4.1Å; F184-W194 HydrophobicContact CD2-CG 4.48Å; F184-W194 HydrophobicContact CD2-CZ3 4.49Å; F184-W194 AromaticContact CE2-CD2 3.71Å; F184-W194 HydrophobicContact CE2-CD2 3.71Å; F184-W194 AromaticContact CE2-CE2 3.79Å; F184-W194 HydrophobicContact CE2-CE3 4.18Å; F184-W194 AromaticContact CE2-CG 3.92Å; F184-W194 HydrophobicContact CE2-CG 3.92Å; F184-W194 HydrophobicContact CE2-CZ2 4.32Å; F184-W194 AromaticContact CE2-NE1 3.99Å; F184-H207 PolarHBondContact O-NE2 2.87Å; F184-I208 HydrophobicContact CB-CD1 3.74Å; F184-I208 HydrophobicContact CB-CG1 4.49Å; F184-M282 HydrophobicContact CE1-CG 4.26Å; F184-M282 HydrophobicContact CE1-SD 4.44Å; F184-L286 HydrophobicContact CD1-CD1 4.09Å; F184-L286 HydrophobicContact CE1-CD1 3.93Å
185L95.4Very high94.6Very high77 Ų7733.5 Ų33.540%0.40317%0.166SC..Hα-helixtrans-61.1-26.3176.1-72172.2000112.9L181 T188 A205 I208L181-L185 HydrophobicContact CD1-CD1 4.16Å; L181-L185 HydrophobicContact CD1-CD2 4.32Å; L181-L185 HydrophobicContact CD1-CG 3.94Å; L181-L185 HydrophobicContact CG-CD1 3.98Å; L181-L185 HydrophobicContact CG-CG 4.25Å; L181-L185 WeakPolarHBondContact O-CG 3.48Å; L181-L185 PolarHBondContact O-N 3.04Å; L185-T188 WeakPolarHBondContact O-CG2 3.41Å; L185-A205 HydrophobicContact CD2-CB 3.67Å; L185-I208 HydrophobicContact CD2-CD1 4.05Å; L185-I208 HydrophobicContact CG-CD1 4.46Å
186R96.3Very high93.8Very high119 Ų11927.4 Ų27.445%0.44914%0.138SC..THydrogen-bonded Turntrans-82.6-14.8179.2-65.4169.963.2171.23.9114.1G182 A183 F184 T188 Y283G182-R186 WeakPolarHBondContact O-CD 3.17Å; G182-R186 WeakPolarHBondContact O-CG 3.49Å; A183-R186 PolarHBondContact O-N 2.8Å; F184-R186 PolarHBondContact O-N 3.41Å; R186-T188 PolarHBondContact O-N 3.43Å; R186-Y283 HydrophobicContact CB-CD2 3.9Å; R186-Y283 HydrophobicContact CB-CE2 3.79Å
187L96.7Very high92.7Very high1 Ų126.6 Ų26.61%0.00513%0.133CC..  trans-99.851.7-174.5-68.7167.9000111.6I159 F184 D189 Y190 I192 H207 Y283 L286 L290I159-L187 HydrophobicContact CD1-CD1 3.94Å; F184-L187 PolarHBondContact O-N 2.81Å; F184-L187 VanDerWaalsContact O-N 3.16Å; L187-D189 PolarHBondContact O-N 3.46Å; L187-Y190 HydrophobicContact CB-CD2 4.35Å; L187-Y190 HydrophobicContact CD2-CD2 4.25Å; L187-Y190 HydrophobicContact CD2-CE2 4.46Å; L187-Y190 PolarHBondContact O-N 3.49Å; L187-Y190 VanDerWaalsContact O-N 3.12Å; L187-I192 HydrophobicContact CB-CD1 4.15Å; L187-H207 PolarHBondContact O-CD2 3.15Å; L187-Y283 HydrophobicContact CD2-CD2 4.18Å; L187-Y283 HydrophobicContact CD2-CE2 3.75Å; L187-Y283 HydrophobicContact CG-CD2 4.13Å; L187-Y283 HydrophobicContact CG-CE2 4.07Å; L187-L286 HydrophobicContact CD1-CB 4.02Å; L187-L286 HydrophobicContact CD1-CD1 3.54Å; L187-L286 HydrophobicContact CD1-CG 4.34Å; L187-L290 HydrophobicContact CD2-CD1 4.34Å
188T95.7Very high91.7Very high87 Ų8727.6 Ų27.653%0.53414%0.14SC..THydrogen-bonded Turntrans-66.3-19.8-173.757.50000114L185 R186 Y190 R191L185-T188 WeakPolarHBondContact O-CG2 3.41Å; R186-T188 PolarHBondContact O-N 3.43Å; T188-Y190 VanDerWaalsContact C-N 3.28Å; T188-R191 PolarHBondContact O-NH2 2.88Å; T188-R191 VanDerWaalsContact O-NH2 3.16Å
189D96.6Very high90.1Very high37 Ų3729.5 Ų29.520%0.19815%0.149CC..THydrogen-bonded Turntrans-78.2-8.1175.558-26.9000113.9K156 L187K156-D189 HydrophobicContact CD-CB 4.02Å; K156-D189 WeakPolarHBondContact CD-OD2 3.32Å; K156-D189 WeakPolarHBondContact CE-OD2 3.17Å; K156-D189 HydrophobicContact CG-CB 4.34Å; K156-D189 PolarHBondContact N-O 3.43Å; K156-D189 IonicContact NZ-OD2 3.07Å; K156-D189 PolarHBondContact NZ-OD2 2.98Å; L187-D189 PolarHBondContact O-N 3.46Å
190Y98.2Very high88.2Confident16 Ų1635.1 Ų35.16%0.06318%0.183CC..SBendtrans-112.6166.4175.1-63.9-86.6000111.2K156 G157 I159 L187 T188 H207 V226 L290K156-Y190 HydrophobicContact CB-CD1 4.06Å; K156-Y190 HydrophobicContact CB-CE1 3.65Å; K156-Y190 HydrophobicContact CD-CE2 4.49Å; G157-Y190 WeakPolarHBondContact O-CA 3.39Å; I159-Y190 HydrophobicContact CD1-CD1 4.46Å; I159-Y190 HydrophobicContact CD1-CD2 4.42Å; I159-Y190 HydrophobicContact CD1-CG 3.97Å; I159-Y190 HydrophobicContact CG1-CD1 4.45Å; I159-Y190 HydrophobicContact CG1-CG 4.39Å; L187-Y190 HydrophobicContact CB-CD2 4.35Å; L187-Y190 HydrophobicContact CD2-CD2 4.25Å; L187-Y190 HydrophobicContact CD2-CE2 4.46Å; L187-Y190 PolarHBondContact O-N 3.49Å; L187-Y190 VanDerWaalsContact O-N 3.12Å; T188-Y190 VanDerWaalsContact C-N 3.28Å; Y190-H207 WeakPolarHBondContact O-CB 3.42Å; Y190-V226 HydrophobicContact CD1-CG2 4.05Å; Y190-V226 HydrophobicContact CE1-CG2 4.03Å; Y190-L290 HydrophobicContact CD1-CD2 4.21Å; Y190-L290 HydrophobicContact CD2-CD1 4.24Å; Y190-L290 HydrophobicContact CE1-CD1 4.3Å; Y190-L290 HydrophobicContact CE1-CD2 3.71Å; Y190-L290 HydrophobicContact CE1-CG 4.5Å; Y190-L290 HydrophobicContact CE2-CD1 3.86Å
191R97.5Very high86.8Confident22 Ų2237.4 Ų37.48%0.08319%0.194CC..EExtended strand (participates in β ladder)trans-101136.5163.9-62.7-59.1100162.46.4108.5F149 G157 T158 I159 T188 H207F149-R191 HydrophobicContact CD1-CB 4.2Å; F149-R191 HydrophobicContact CE1-CB 3.67Å; F149-R191 HydrophobicContact CE1-CG 4.37Å; F149-R191 HydrophobicContact CZ-CB 3.98Å; F149-R191 HydrophobicContact CZ-CG 4.45Å; F149-R191 WeakPolarHBondContact O-CG 3.38Å; G157-R191 PolarHBondContact O-N 3.17Å; T158-R191 CarbonylContact C-O 3.31Å; T158-R191 VanDerWaalsContact CA-O 3.27Å; T158-R191 WeakPolarHBondContact CA-O 3.4Å; I159-R191 PolarHBondContact N-O 3.44Å; T188-R191 PolarHBondContact O-NH2 2.88Å; T188-R191 VanDerWaalsContact O-NH2 3.16Å; R191-H207 CarbonylContact C-O 3.53Å; R191-H207 WeakPolarHBondContact CA-O 3.42Å
192I97.3Very high85.4Confident0 Ų042.6 Ų42.60%022%0.221CC..EExtended strand (participates in β ladder)trans-119.9119-178.2-56.4178.9000107.8I159 V161 F184 L187 H207 I208 W209I159-I192 HydrophobicContact CB-CG1 4.27Å; I159-I192 HydrophobicContact CD1-CD1 4.49Å; I159-I192 HydrophobicContact CD1-CG1 4.22Å; I159-I192 WeakPolarHBondContact O-CA 3.36Å; V161-I192 HydrophobicContact CG2-CG2 4Å; F184-I192 HydrophobicContact CB-CD1 3.53Å; F184-I192 HydrophobicContact CD1-CD1 4.08Å; F184-I192 HydrophobicContact CD2-CG2 4.25Å; F184-I192 HydrophobicContact CG-CD1 3.93Å; F184-I192 HydrophobicContact CG-CG2 4.22Å; F184-I192 WeakPolarHBondContact O-CD1 3.13Å; L187-I192 HydrophobicContact CB-CD1 4.15Å; I192-H207 PolarHBondContact N-O 3Å; I192-I208 HydrophobicContact CB-CG1 4.34Å; I192-I208 HydrophobicContact CB-CG2 4.48Å; I192-I208 HydrophobicContact CD1-CG1 4.46Å; I192-I208 CarbonylContact O-C 3.54Å; I192-I208 WeakPolarHBondContact O-CA 3.14Å; I192-W209 PolarHBondContact O-N 3.29Å
193I95.9Very high84.5Confident0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-100.8119.9170.6-60.6174.8000106.7Y146 F149 I150 T158 I159 L160 V161 W209 V214 I219Y146-I193 HydrophobicContact CD1-CD1 4.04Å; Y146-I193 HydrophobicContact CE1-CG2 4.4Å; F149-I193 HydrophobicContact CD1-CD1 4.22Å; F149-I193 HydrophobicContact CD1-CG1 3.87Å; F149-I193 HydrophobicContact CE1-CD1 4.47Å; F149-I193 HydrophobicContact CE1-CG1 3.65Å; I150-I193 HydrophobicContact CD1-CD1 3.84Å; I150-I193 HydrophobicContact CG1-CD1 3.94Å; T158-I193 HydrophobicContact CG2-CD1 3.99Å; T158-I193 HydrophobicContact CG2-CG1 4.16Å; I159-I193 PolarHBondContact O-N 3.21Å; L160-I193 HydrophobicContact CD1-CB 3.99Å; L160-I193 HydrophobicContact CD1-CG2 3.95Å; V161-I193 PolarHBondContact N-O 3.06Å; I193-W209 HydrophobicContact CG1-CB 4.43Å; I193-V214 HydrophobicContact CG2-CB 4.38Å; I193-V214 HydrophobicContact CG2-CG1 3.6Å; I193-I219 HydrophobicContact CD1-CD1 3.8Å; I193-I219 HydrophobicContact CD1-CG1 4.2Å; I193-I219 HydrophobicContact CD1-CG2 4.06Å; I193-I219 HydrophobicContact CG2-CD1 4.28Å
194W93.1Very high83.4Confident2 Ų250 Ų501%0.00826%0.256CS..EExtended strand (participates in β ladder)trans-120.5115.2-170.1-174.219.2000113V161 R177 M180 L181 F184 A197 L203 I208 W209 S211V161-W194 HydrophobicContact CB-CB 4.47Å; V161-W194 HydrophobicContact CB-CG 4.37Å; V161-W194 VanDerWaalsContact CG1-CD1 3.43Å; V161-W194 HydrophobicContact CG1-CG 4.39Å; R177-W194 HydrophobicContact CG-CH2 3.77Å; R177-W194 HydrophobicContact CG-CZ2 4.03Å; M180-W194 HydrophobicContact CB-CZ2 4.35Å; M180-W194 HydrophobicContact CE-CZ2 3.81Å; L181-W194 HydrophobicContact CB-CH2 4.28Å; L181-W194 HydrophobicContact CB-CZ3 4.41Å; L181-W194 HydrophobicContact CD1-CZ3 4.16Å; F184-W194 HydrophobicContact CD2-CD2 4.09Å; F184-W194 HydrophobicContact CD2-CE3 4.1Å; F184-W194 HydrophobicContact CD2-CG 4.48Å; F184-W194 HydrophobicContact CD2-CZ3 4.49Å; F184-W194 AromaticContact CE2-CD2 3.71Å; F184-W194 HydrophobicContact CE2-CD2 3.71Å; F184-W194 AromaticContact CE2-CE2 3.79Å; F184-W194 HydrophobicContact CE2-CE3 4.18Å; F184-W194 AromaticContact CE2-CG 3.92Å; F184-W194 HydrophobicContact CE2-CG 3.92Å; F184-W194 HydrophobicContact CE2-CZ2 4.32Å; F184-W194 AromaticContact CE2-NE1 3.99Å; W194-A197 HydrophobicContact CD2-CB 4.39Å; W194-A197 HydrophobicContact CE3-CB 4.45Å; W194-L203 HydrophobicContact CE3-CD1 4.39Å; W194-L203 HydrophobicContact CZ3-CD1 4.37Å; W194-I208 HydrophobicContact CE3-CG2 4.39Å; W194-W209 PolarHBondContact N-O 2.99Å; W194-S211 PolarHBondContact O-N 2.95Å
195Q89.6Confident83Confident5 Ų550.6 Ų50.62%0.02326%0.261CS..EExtended strand (participates in β ladder)trans-125.4138173.5-179-171.1-21.700111V161 A162 F163 S211 V214V161-Q195 PolarHBondContact O-N 3.41Å; V161-Q195 VanDerWaalsContact O-O 3.13Å; A162-Q195 WeakPolarHBondContact CA-O 3.49Å; A162-Q195 HydrophobicContact CB-CB 4.41Å; F163-Q195 PolarHBondContact N-O 3.49Å; Q195-S211 WeakPolarHBondContact CA-O 3.46Å; Q195-V214 HydrophobicContact CB-CG1 4.05Å
196P75.4Confident82.8Confident8 Ų852.1 Ų52.15%0.05228%0.277CS..SBendcis-85.1132-4.934.3-34.2000111F167 A169 I172F167-P196 HydrophobicContact CB-CG 4.36Å; F167-P196 WeakPolarHBondContact O-CB 3.33Å; F167-P196 WeakPolarHBondContact O-CG 3.41Å; A169-P196 HydrophobicContact CB-CB 4.42Å; I172-P196 HydrophobicContact CD1-CG 3.77Å
197A69.7Low82.7Confident2 Ų247 Ų472%0.01726%0.259CS..  trans-135.7147.1169.400000109.7W194 Q199 P210 S211 K212W194-A197 HydrophobicContact CD2-CB 4.39Å; W194-A197 HydrophobicContact CE3-CB 4.45Å; A197-Q199 PolarHBondContact O-N 2.99Å; A197-P210 HydrophobicContact CB-CB 3.48Å; A197-P210 VanDerWaalsContact CB-CB 3.48Å; A197-S211 PolarHBondContact N-O 2.83Å; A197-S211 VanDerWaalsContact N-O 3.09Å; A197-S211 CarbonylContact O-C 3.57Å; A197-S211 VanDerWaalsContact O-C 3.31Å; A197-K212 PolarHBondContact O-N 2.86Å
198E67.8Low82.6Confident71 Ų7147.5 Ų47.533%0.33226%0.261SS..  trans-69125.1168.5-74.3-64.2145.700108.1A169 T200 E201 K212A169-E198 HydrophobicContact CB-CG 4.22Å; E198-T200 PolarHBondContact O-N 2.93Å; E198-T200 VanDerWaalsContact O-N 3.07Å; E198-E201 HydrophobicContact CB-CG 4.29Å; E198-E201 WeakPolarHBondContact O-CB 3.21Å; E198-E201 PolarHBondContact O-N 3.37Å; E198-K212 IonicContact OE1-NZ 3.05Å; E198-K212 WeakPolarHBondContact OE2-CE 3.37Å; E198-K212 IonicContact OE2-NZ 2.99Å; E198-K212 PolarHBondContact OE2-NZ 3.15Å
199Q58.3Low82.4Confident126 Ų12646.3 Ų46.359%0.58925%0.247SC*.THydrogen-bonded Turntrans-63.3-18.1-176.1-164.2169.722.200112.6A197 E201A197-Q199 PolarHBondContact O-N 2.99Å; Q199-E201 VanDerWaalsContact C-N 3.32Å
200T55.5Low82.2Confident124 Ų12445.4 Ų45.476%0.76124%0.243SC*.THydrogen-bonded Turntrans-83.30.6177.454.20000113.8E198 D202E198-T200 PolarHBondContact O-N 2.93Å; E198-T200 VanDerWaalsContact O-N 3.07Å; T200-D202 PolarHBondContact O-N 3.41Å; T200-D202 VanDerWaalsContact O-N 3.1Å
201E63.3Low81.7Confident49 Ų4945 Ų4523%0.22924%0.243CC..  trans-69.3106174.2-76-176.5-163.300110R177 E198 Q199 L203R177-E201 IonicContact NH1-OE1 3.35Å; R177-E201 IonicContact NH1-OE2 2.72Å; R177-E201 PolarHBondContact NH1-OE2 2.88Å; E198-E201 HydrophobicContact CB-CG 4.29Å; E198-E201 WeakPolarHBondContact O-CB 3.21Å; E198-E201 PolarHBondContact O-N 3.37Å; Q199-E201 VanDerWaalsContact C-N 3.32Å; E201-L203 HydrophobicContact CB-CD2 4.1Å; E201-L203 HydrophobicContact CB-CG 4.25Å; E201-L203 PolarHBondContact O-N 2.84Å
202D64.9Low81.1Confident127 Ų12749.8 Ų49.868%0.67926%0.264SS*.  trans-7494.4166.3-174.86.3000109.2T200 N204T200-D202 PolarHBondContact O-N 3.41Å; T200-D202 VanDerWaalsContact O-N 3.1Å; D202-N204 VanDerWaalsContact C-N 3.27Å; D202-N204 PolarHBondContact OD1-N 2.67Å
203L74.7Confident80.5Confident29 Ų2956.1 Ų56.115%0.15229%0.288CS..  trans-82.5-4.8177.9-60.8179.1000112.6L181 W194 E201 A205 I208L181-L203 HydrophobicContact CD1-CD1 4.2Å; L181-L203 HydrophobicContact CD1-CD2 3.84Å; L181-L203 HydrophobicContact CD2-CD2 3.99Å; W194-L203 HydrophobicContact CE3-CD1 4.39Å; W194-L203 HydrophobicContact CZ3-CD1 4.37Å; E201-L203 HydrophobicContact CB-CD2 4.1Å; E201-L203 HydrophobicContact CB-CG 4.25Å; E201-L203 PolarHBondContact O-N 2.84Å; L203-A205 HydrophobicContact CB-CB 4.09Å; L203-A205 WeakPolarHBondContact O-CB 3.19Å; L203-A205 PolarHBondContact O-N 3.2Å; L203-I208 HydrophobicContact CD1-CB 4.07Å; L203-I208 HydrophobicContact CD1-CD1 4.42Å; L203-I208 HydrophobicContact CD1-CG2 3.6Å
204N74.8Confident80.3Confident148 Ų14856.2 Ų56.279%0.79129%0.289SS*.SBendtrans47.627.7-168.2-79.3-53.6000113.7D202D202-N204 VanDerWaalsContact C-N 3.27Å; D202-N204 PolarHBondContact OD1-N 2.67Å
205A86.4Confident80.2Confident13 Ų1356.4 Ų56.411%0.10729%0.29CS..  trans-132.490.9-171.200000110.3L185 L203 H207 I208L185-A205 HydrophobicContact CD2-CB 3.67Å; L203-A205 HydrophobicContact CB-CB 4.09Å; L203-A205 WeakPolarHBondContact O-CB 3.19Å; L203-A205 PolarHBondContact O-N 3.2Å; A205-H207 PolarHBondContact O-N 3.19Å; A205-I208 HydrophobicContact CB-CB 4.4Å; A205-I208 HydrophobicContact CB-CD1 3.87Å; A205-I208 HydrophobicContact CB-CG1 4.06Å; A205-I208 PolarHBondContact O-N 3.45Å
206S90.5Very high80.3Confident108 Ų10857.3 Ų57.376%0.75529%0.294SS*.THydrogen-bonded Turntrans-64.3-11.4-175.764.50000114.7
207H94.9Very high81Confident13 Ų1358.4 Ų58.46%0.0630%0.303CS..THydrogen-bonded Turntrans-89.9-4.2174.568.9-72000113.8F149 F184 L187 Y190 R191 I192 A205F149-H207 WeakPolarHBondContact CZ-O 3.34Å; F184-H207 PolarHBondContact O-NE2 2.87Å; L187-H207 PolarHBondContact O-CD2 3.15Å; Y190-H207 WeakPolarHBondContact O-CB 3.42Å; R191-H207 CarbonylContact C-O 3.53Å; R191-H207 WeakPolarHBondContact CA-O 3.42Å; I192-H207 PolarHBondContact N-O 3Å; A205-H207 PolarHBondContact O-N 3.19Å
208I94.4Very high82.1Confident10 Ų1059.9 Ų59.95%0.05131%0.31CS..EExtended strand (participates in β ladder)trans-111124.5176.1-52.1177.1000108.7L181 F184 L185 I192 W194 L203 A205 P210L181-I208 HydrophobicContact CD1-CD1 4.21Å; F184-I208 HydrophobicContact CB-CD1 3.74Å; F184-I208 HydrophobicContact CB-CG1 4.49Å; L185-I208 HydrophobicContact CD2-CD1 4.05Å; L185-I208 HydrophobicContact CG-CD1 4.46Å; I192-I208 HydrophobicContact CB-CG1 4.34Å; I192-I208 HydrophobicContact CB-CG2 4.48Å; I192-I208 HydrophobicContact CD1-CG1 4.46Å; I192-I208 CarbonylContact O-C 3.54Å; I192-I208 WeakPolarHBondContact O-CA 3.14Å; W194-I208 HydrophobicContact CE3-CG2 4.39Å; L203-I208 HydrophobicContact CD1-CB 4.07Å; L203-I208 HydrophobicContact CD1-CD1 4.42Å; L203-I208 HydrophobicContact CD1-CG2 3.6Å; A205-I208 HydrophobicContact CB-CB 4.4Å; A205-I208 HydrophobicContact CB-CD1 3.87Å; A205-I208 HydrophobicContact CB-CG1 4.06Å; A205-I208 PolarHBondContact O-N 3.45Å; I208-P210 WeakPolarHBondContact O-CD 3.4Å
209W92.8Very high83.4Confident62 Ų6256.5 Ų56.524%0.23529%0.294CS..EExtended strand (participates in β ladder)trans-10798.9174.3-172.6-54.9000109N145 F149 I192 I193 W194N145-W209 HydrophobicContact CB-CH2 3.99Å; F149-W209 HydrophobicContact CB-CE3 3.62Å; F149-W209 HydrophobicContact CB-CZ3 3.7Å; F149-W209 HydrophobicContact CD1-CB 4.13Å; F149-W209 HydrophobicContact CD1-CE3 4.02Å; F149-W209 AromaticContact CD2-CE3 3.53Å; F149-W209 HydrophobicContact CD2-CE3 3.53Å; F149-W209 HydrophobicContact CD2-CZ3 4.18Å; F149-W209 HydrophobicContact CE1-CB 3.61Å; F149-W209 HydrophobicContact CE2-CB 4.03Å; F149-W209 HydrophobicContact CE2-CE3 4.1Å; F149-W209 HydrophobicContact CG-CD2 4.4Å; F149-W209 AromaticContact CG-CE3 3.45Å; F149-W209 HydrophobicContact CG-CE3 3.45Å; F149-W209 VanDerWaalsContact CG-CE3 3.45Å; F149-W209 HydrophobicContact CG-CZ3 4.06Å; F149-W209 HydrophobicContact CZ-CB 3.54Å; I192-W209 PolarHBondContact O-N 3.29Å; I193-W209 HydrophobicContact CG1-CB 4.43Å; W194-W209 PolarHBondContact N-O 2.99Å
210P90.9Very high85.2Confident18 Ų1850.7 Ų50.712%0.11727%0.267CS..EExtended strand (participates in β ladder)trans-70.7133.8170.929-32.7000110.3A197 I208A197-P210 HydrophobicContact CB-CB 3.48Å; A197-P210 VanDerWaalsContact CB-CB 3.48Å; I208-P210 WeakPolarHBondContact O-CD 3.4Å
211S87.4Confident87Confident8 Ų847.2 Ų47.26%0.05625%0.251CS..  trans-143.8144.7176.3-165.70000112.8Y146 W194 Q195 A197 W213Y146-S211 PolarHBondContact OH-OG 3.42Å; W194-S211 PolarHBondContact O-N 2.95Å; Q195-S211 WeakPolarHBondContact CA-O 3.46Å; A197-S211 PolarHBondContact N-O 2.83Å; A197-S211 VanDerWaalsContact N-O 3.09Å; A197-S211 CarbonylContact O-C 3.57Å; A197-S211 VanDerWaalsContact O-C 3.31Å; S211-W213 PolarHBondContact OG-N 3.49Å; S211-W213 PolarHBondContact OG-O 2.79Å
212K84.8Confident88.5Confident122 Ų12246.2 Ų46.253%0.5325%0.246SC..SBendtrans-72.3-32.9170.5-64.1-169.9180-161.20111.9A197 E198A197-K212 PolarHBondContact O-N 2.86Å; E198-K212 IonicContact OE1-NZ 3.05Å; E198-K212 WeakPolarHBondContact OE2-CE 3.37Å; E198-K212 IonicContact OE2-NZ 2.99Å; E198-K212 PolarHBondContact OE2-NZ 3.15Å
213W86Confident89.8Confident133 Ų13345.9 Ų45.950%0.50425%0.251SS..  trans-148.8139.5-179-17585.4000110.6Y146 H165 S211 P215Y146-W213 PolarHBondContact OH-O 2.93Å; H165-W213 AromaticContact CD2-CD1 3.9Å; H165-W213 AromaticContact CD2-NE1 3.81Å; H165-W213 AromaticContact NE2-CD1 3.74Å; H165-W213 AromaticContact NE2-NE1 3.19Å; H165-W213 PolarHBondContact NE2-NE1 3.48Å; H165-W213 VanDerWaalsContact NE2-NE1 3.19Å; S211-W213 PolarHBondContact OG-N 3.49Å; S211-W213 PolarHBondContact OG-O 2.79Å; W213-P215 HydrophobicContact CH2-CB 4Å; W213-P215 HydrophobicContact CZ3-CB 4.05Å
214V90.3Very high90.8Very high2 Ų247.6 Ų47.61%0.01226%0.257CS..  trans-126.9147.1178.7-53.70000111Y146 L160 I193 Q195 Q216 I219Y146-V214 HydrophobicContact CE1-CG1 4.47Å; L160-V214 HydrophobicContact CD1-CG2 3.95Å; I193-V214 HydrophobicContact CG2-CB 4.38Å; I193-V214 HydrophobicContact CG2-CG1 3.6Å; Q195-V214 HydrophobicContact CB-CG1 4.05Å; V214-Q216 HydrophobicContact CG2-CB 4.04Å; V214-Q216 PolarHBondContact O-N 3.02Å; V214-I219 HydrophobicContact CB-CD1 3.78Å; V214-I219 HydrophobicContact CG2-CD1 4.17Å
215P91.2Very high91.9Very high7 Ų740.8 Ų40.85%0.04522%0.221CC..  trans-71.971.4167.531.2-34000109.4L142 P143 Y146 W213 S217 D218 I219L142-P215 HydrophobicContact CD1-CG 4.2Å; P143-P215 HydrophobicContact CG-CG 4.41Å; Y146-P215 HydrophobicContact CD2-CG 3.84Å; Y146-P215 VanDerWaalsContact CE2-CD 3.45Å; Y146-P215 HydrophobicContact CE2-CG 3.8Å; Y146-P215 HydrophobicContact CG-CG 4.33Å; Y146-P215 VanDerWaalsContact CZ-CD 3.47Å; W213-P215 HydrophobicContact CH2-CB 4Å; W213-P215 HydrophobicContact CZ3-CB 4.05Å; P215-S217 PolarHBondContact O-N 3.17Å; P215-D218 HydrophobicContact CB-CB 4.19Å; P215-D218 WeakPolarHBondContact CB-OD2 3.47Å; P215-D218 PolarHBondContact O-N 3.28Å; P215-D218 VanDerWaalsContact O-N 3.15Å; P215-I219 HydrophobicContact CG-CD1 4.04Å; P215-I219 HydrophobicContact CG-CG1 4.21Å; P215-I219 WeakPolarHBondContact O-CG1 3.47Å; P215-I219 PolarHBondContact O-N 2.03Å
216Q93.1Very high92.4Very high23 Ų2342.3 Ų42.311%0.10723%0.229CC..Hα-helixtrans-52.4-49.4-169.2173.4171.2-58.200112.3L160 V214 D218 I219 L220 F228 S236 E239L160-Q216 HydrophobicContact CD2-CB 4.42Å; L160-Q216 HydrophobicContact CD2-CG 3.89Å; V214-Q216 HydrophobicContact CG2-CB 4.04Å; V214-Q216 PolarHBondContact O-N 3.02Å; Q216-D218 PolarHBondContact O-N 3.39Å; Q216-I219 PolarHBondContact O-N 3.33Å; Q216-L220 HydrophobicContact CG-CD1 3.84Å; Q216-L220 HydrophobicContact CG-CG 4.46Å; Q216-L220 WeakPolarHBondContact O-CB 3.49Å; Q216-L220 VanDerWaalsContact O-CG 3.27Å; Q216-L220 WeakPolarHBondContact O-CG 3.35Å; Q216-L220 PolarHBondContact O-N 3.23Å; Q216-F228 HydrophobicContact CG-CZ 4.29Å; Q216-S236 PolarHBondContact NE2-OG 3.43Å; Q216-E239 PolarHBondContact NE2-OE2 3.29Å
217S90.3Very high92.8Very high32 Ų3237.2 Ų37.222%0.22419%0.193CC..Hα-helixtrans-61.1-44.3-178.6-33.10000111.3Q136 P215 L220 A221 E239Q136-S217 PolarHBondContact OE1-O 3.07Å; P215-S217 PolarHBondContact O-N 3.17Å; S217-L220 PolarHBondContact O-N 3.46Å; S217-A221 WeakPolarHBondContact O-CB 3.41Å; S217-A221 PolarHBondContact O-N 2.79Å; S217-E239 PolarHBondContact OG-OE1 3.15Å
218D92.2Very high93Very high33 Ų3336.6 Ų36.618%0.17619%0.19CC..Hα-helixtrans-68-40179.7-53.9-28.3000112.1Q136 S140 L142 P215 Q216 A221 H222Q136-D218 PolarHBondContact NE2-OD1 2.64Å; S140-D218 WeakPolarHBondContact CB-OD1 3.19Å; S140-D218 PolarHBondContact OG-OD1 3.14Å; L142-D218 HydrophobicContact CD1-CB 3.88Å; P215-D218 HydrophobicContact CB-CB 4.19Å; P215-D218 WeakPolarHBondContact CB-OD2 3.47Å; P215-D218 PolarHBondContact O-N 3.28Å; P215-D218 VanDerWaalsContact O-N 3.15Å; Q216-D218 PolarHBondContact O-N 3.39Å; D218-A221 PolarHBondContact O-N 2.97Å; D218-H222 PolarHBondContact O-N 3.4Å
219I95.5Very high93.2Very high0 Ų036.1 Ų36.10%019%0.188CC..Hα-helixtrans-64.6-45.3175.7-67.8163.4000109.9L142 Y146 I150 L160 I193 V214 P215 Q216 A221 H222 T225L142-I219 HydrophobicContact CD1-CG1 3.76Å; Y146-I219 HydrophobicContact CD1-CD1 4.08Å; Y146-I219 HydrophobicContact CE1-CD1 4.21Å; I150-I219 HydrophobicContact CD1-CG1 4.29Å; I150-I219 HydrophobicContact CD1-CG2 4.06Å; L160-I219 HydrophobicContact CB-CG2 4.21Å; L160-I219 HydrophobicContact CD1-CD1 4.27Å; L160-I219 HydrophobicContact CD1-CG2 4.19Å; L160-I219 HydrophobicContact CD2-CB 4.29Å; L160-I219 HydrophobicContact CD2-CG2 4.03Å; L160-I219 HydrophobicContact CG-CG2 4.37Å; I193-I219 HydrophobicContact CD1-CD1 3.8Å; I193-I219 HydrophobicContact CD1-CG1 4.2Å; I193-I219 HydrophobicContact CD1-CG2 4.06Å; I193-I219 HydrophobicContact CG2-CD1 4.28Å; V214-I219 HydrophobicContact CB-CD1 3.78Å; V214-I219 HydrophobicContact CG2-CD1 4.17Å; P215-I219 HydrophobicContact CG-CD1 4.04Å; P215-I219 HydrophobicContact CG-CG1 4.21Å; P215-I219 WeakPolarHBondContact O-CG1 3.47Å; P215-I219 PolarHBondContact O-N 2.03Å; Q216-I219 PolarHBondContact O-N 3.33Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.49Å; I219-H222 VanDerWaalsContact O-CB 3.31Å; I219-H222 WeakPolarHBondContact O-CB 3.39Å; I219-H222 PolarHBondContact O-N 3.16Å; I219-T225 VanDerWaalsContact O-CB 3.3Å; I219-T225 WeakPolarHBondContact O-CB 3.49Å; I219-T225 PolarHBondContact O-OG1 3.38Å
220L95.6Very high93.3Very high3 Ų333.1 Ų33.12%0.01618%0.177CC..Hα-helixtrans-62.9-41.2178.2-72.6172.2000111.6L160 Q216 S217 H222 T225 F228 E239 A243 V245L160-L220 HydrophobicContact CD2-CD1 4.37Å; L160-L220 HydrophobicContact CD2-CD2 3.88Å; L160-L220 HydrophobicContact CD2-CG 3.75Å; Q216-L220 HydrophobicContact CG-CD1 3.84Å; Q216-L220 HydrophobicContact CG-CG 4.46Å; Q216-L220 WeakPolarHBondContact O-CB 3.49Å; Q216-L220 VanDerWaalsContact O-CG 3.27Å; Q216-L220 WeakPolarHBondContact O-CG 3.35Å; Q216-L220 PolarHBondContact O-N 3.23Å; S217-L220 PolarHBondContact O-N 3.46Å; L220-H222 PolarHBondContact O-N 3.37Å; L220-T225 HydrophobicContact CD2-CG2 4.17Å; L220-F228 HydrophobicContact CD1-CD1 4.01Å; L220-F228 HydrophobicContact CD1-CE1 3.81Å; L220-F228 HydrophobicContact CD1-CZ 4.2Å; L220-F228 HydrophobicContact CD2-CB 3.81Å; L220-F228 HydrophobicContact CD2-CD1 3.84Å; L220-F228 HydrophobicContact CD2-CD2 4.13Å; L220-F228 HydrophobicContact CD2-CE1 4.4Å; L220-F228 HydrophobicContact CD2-CG 3.68Å; L220-E239 HydrophobicContact CD1-CB 3.76Å; L220-A243 HydrophobicContact CB-CB 3.69Å; L220-A243 VanDerWaalsContact O-CB 3.32Å; L220-A243 WeakPolarHBondContact O-CB 3.36Å; L220-V245 HydrophobicContact CD2-CB 4.25Å; L220-V245 HydrophobicContact CD2-CG1 4.31Å; L220-V245 HydrophobicContact CD2-CG2 4.28Å
221A93Very high93.4Very high51 Ų5133.2 Ų33.242%0.42118%0.175SC..Hα-helixtrans-65.3-18.5177.400000113.6S217 D218 I219S217-A221 WeakPolarHBondContact O-CB 3.41Å; S217-A221 PolarHBondContact O-N 2.79Å; D218-A221 PolarHBondContact O-N 2.97Å; I219-A221 VanDerWaalsContact C-N 3.34Å; I219-A221 PolarHBondContact O-N 3.49Å
222H94.2Very high93.4Very high29 Ų2932.8 Ų32.813%0.13417%0.173CC..SBendtrans-69.2131.2-179.1-168.8-82.4000111.8I150 E151 D218 I219 L220 K224 T225I150-H222 VanDerWaalsContact CG2-CE1 3.4Å; I150-H222 WeakPolarHBondContact CG2-CE1 3.35Å; I150-H222 VanDerWaalsContact CG2-ND1 3.33Å; I150-H222 WeakPolarHBondContact CG2-ND1 3.49Å; E151-H222 IonicContact OE1-NE2 2.8Å; D218-H222 PolarHBondContact O-N 3.4Å; I219-H222 VanDerWaalsContact O-CB 3.31Å; I219-H222 WeakPolarHBondContact O-CB 3.39Å; I219-H222 PolarHBondContact O-N 3.16Å; L220-H222 PolarHBondContact O-N 3.37Å; H222-K224 PolarHBondContact ND1-N 3.02Å; H222-K224 VanDerWaalsContact ND1-N 3.13Å; H222-K224 PolarHBondContact O-N 2.88Å; H222-T225 WeakPolarHBondContact O-CB 3.04Å; H222-T225 PolarHBondContact O-N 2.9Å
223P93.2Very high93.3Very high120 Ų12027.2 Ų27.278%0.77915%0.149SC*.THydrogen-bonded Turntrans-59.5-26.9-174.6-26.434.2000115.7T225P223-T225 VanDerWaalsContact C-N 3.27Å; P223-T225 PolarHBondContact O-N 3.23Å
224K95.5Very high92.9Very high64 Ų6421.8 Ų21.828%0.27813%0.129SC..THydrogen-bonded Turntrans-77.2-5.9175.6-72.9-170.4168.7-170.10113.8I150 E151 Q152 G157 T158 H222 V226I150-K224 HydrophobicContact CG2-CB 3.87Å; I150-K224 HydrophobicContact CG2-CD 4.42Å; I150-K224 WeakPolarHBondContact O-CD 3.39Å; E151-K224 PolarHBondContact O-NZ 3.07Å; Q152-K224 PolarHBondContact O-NZ 3.47Å; G157-K224 CarbonylContact C-O 3.38Å; G157-K224 WeakPolarHBondContact CA-O 2.9Å; T158-K224 PolarHBondContact N-O 2.92Å; H222-K224 PolarHBondContact ND1-N 3.02Å; H222-K224 VanDerWaalsContact ND1-N 3.13Å; H222-K224 PolarHBondContact O-N 2.88Å; K224-V226 PolarHBondContact O-N 3.43Å
225T97.3Very high92.5Very high6 Ų626.2 Ų26.24%0.03715%0.148CC..EExtended strand (participates in β ladder)trans-81.3118.3178.3-600000110.1T158 I219 L220 H222 P223 V245T158-T225 CarbonylContact O-C 3.58Å; T158-T225 WeakPolarHBondContact O-CA 3.26Å; I219-T225 VanDerWaalsContact O-CB 3.3Å; I219-T225 WeakPolarHBondContact O-CB 3.49Å; I219-T225 PolarHBondContact O-OG1 3.38Å; L220-T225 HydrophobicContact CD2-CG2 4.17Å; H222-T225 WeakPolarHBondContact O-CB 3.04Å; H222-T225 PolarHBondContact O-N 2.9Å; P223-T225 VanDerWaalsContact C-N 3.27Å; P223-T225 PolarHBondContact O-N 3.23Å; T225-V245 HydrophobicContact CG2-CG1 4.21Å; T225-V245 HydrophobicContact CG2-CG2 4.16Å
226V98Very high92.3Very high45 Ų4526.3 Ų26.327%0.27315%0.149SC..EExtended strand (participates in β ladder)trans-117.3-19.2-166.1-68.20000113.9T158 Y190 K224 L290T158-V226 WeakPolarHBondContact O-CG2 3.28Å; T158-V226 PolarHBondContact O-N 2.98Å; Y190-V226 HydrophobicContact CD1-CG2 4.05Å; Y190-V226 HydrophobicContact CE1-CG2 4.03Å; K224-V226 PolarHBondContact O-N 3.43Å; V226-L290 HydrophobicContact CB-CD2 4.21Å; V226-L290 HydrophobicContact CG2-CD2 3.52Å
227A98.7Very high92.1Very high0 Ų025.2 Ų25.20%014%0.144CC..EExtended strand (participates in β ladder)trans-148.5147.5175.100000111I159 L160 V245 L286 V289 L290I159-A227 WeakPolarHBondContact CA-O 3.38Å; I159-A227 HydrophobicContact CG1-CB 4.3Å; I159-A227 HydrophobicContact CG2-CB 4.28Å; L160-A227 PolarHBondContact N-O 3.25Å; A227-V245 VanDerWaalsContact C-CG1 3.49Å; A227-L286 HydrophobicContact CB-CD2 4.46Å; A227-V289 HydrophobicContact CB-CG1 3.91Å; A227-L290 HydrophobicContact CB-CD2 3.93Å; A227-L290 HydrophobicContact CB-CG 4.48Å
228F98.7Very high92Very high0 Ų023.7 Ų23.70%013%0.133CC..EExtended strand (participates in β ladder)trans-127.6108.3177-178.2-154.1000111L160 A162 Q216 L220 T230 S236 V245 P246 L247 V248L160-F228 HydrophobicContact CB-CD2 4.03Å; L160-F228 HydrophobicContact CD2-CD2 4.06Å; L160-F228 HydrophobicContact CD2-CE2 3.92Å; L160-F228 HydrophobicContact CG-CD2 3.96Å; L160-F228 HydrophobicContact CG-CE2 3.99Å; L160-F228 CarbonylContact O-C 3.6Å; L160-F228 WeakPolarHBondContact O-CA 3.34Å; L160-F228 WeakPolarHBondContact O-CD2 3.33Å; A162-F228 HydrophobicContact CB-CE2 3.93Å; A162-F228 HydrophobicContact CB-CZ 4.49Å; Q216-F228 HydrophobicContact CG-CZ 4.29Å; L220-F228 HydrophobicContact CD1-CD1 4.01Å; L220-F228 HydrophobicContact CD1-CE1 3.81Å; L220-F228 HydrophobicContact CD1-CZ 4.2Å; L220-F228 HydrophobicContact CD2-CB 3.81Å; L220-F228 HydrophobicContact CD2-CD1 3.84Å; L220-F228 HydrophobicContact CD2-CD2 4.13Å; L220-F228 HydrophobicContact CD2-CE1 4.4Å; L220-F228 HydrophobicContact CD2-CG 3.68Å; F228-T230 HydrophobicContact CD1-CG2 3.98Å; F228-T230 HydrophobicContact CE1-CG2 4.01Å; F228-T230 HydrophobicContact CG-CG2 4.34Å; F228-T230 HydrophobicContact CZ-CG2 4.38Å; F228-S236 WeakPolarHBondContact CE1-O 3.09Å; F228-V245 HydrophobicContact CB-CG1 3.82Å; F228-P246 PolarHBondContact N-O 3.38Å; F228-L247 HydrophobicContact CB-CD2 4.13Å; F228-L247 HydrophobicContact CD1-CD2 3.79Å; F228-L247 HydrophobicContact CG-CD2 4.37Å; F228-L247 CarbonylContact O-C 3.5Å; F228-L247 WeakPolarHBondContact O-CA 3.42Å; F228-V248 PolarHBondContact O-N 3.48Å
229V98.4Very high91.9Very high0 Ų023 Ų230%013%0.129CC..EExtended strand (participates in β ladder)trans-83.5119.7169.5-172.30000108.3I159 L160 V161 A162 F163 V248 M282 L286I159-V229 HydrophobicContact CG2-CG2 4.19Å; L160-V229 PolarHBondContact O-N 3.27Å; V161-V229 WeakPolarHBondContact CA-O 3.01Å; V161-V229 HydrophobicContact CB-CB 4.17Å; V161-V229 HydrophobicContact CG1-CB 3.97Å; V161-V229 HydrophobicContact CG1-CG1 4.11Å; V161-V229 HydrophobicContact CG2-CB 3.96Å; V161-V229 HydrophobicContact CG2-CG2 3.85Å; A162-V229 PolarHBondContact N-O 2.96Å; F163-V229 HydrophobicContact CZ-CG1 4.05Å; V229-V248 WeakPolarHBondContact CA-O 3.4Å; V229-V248 HydrophobicContact CB-CB 4.27Å; V229-V248 HydrophobicContact CG1-CB 4.27Å; V229-V248 HydrophobicContact CG1-CG1 4.17Å; V229-V248 HydrophobicContact CG2-CB 3.94Å; V229-V248 HydrophobicContact CG2-CG1 4.39Å; V229-V248 HydrophobicContact CG2-CG2 4.33Å; V229-M282 HydrophobicContact CG1-CE 4.23Å; V229-L286 HydrophobicContact CG2-CD2 3.71Å; V229-L286 HydrophobicContact CG2-CG 4.46Å
230T95.8Very high91.9Very high0 Ų023 Ų230%013%0.129CC..EExtended strand (participates in β ladder)trans-144.8148-169.8178.60000112.5F228 M232 S236 L247 V248 M250F228-T230 HydrophobicContact CD1-CG2 3.98Å; F228-T230 HydrophobicContact CE1-CG2 4.01Å; F228-T230 HydrophobicContact CG-CG2 4.34Å; F228-T230 HydrophobicContact CZ-CG2 4.38Å; T230-M232 HydrophobicContact CG2-CG 4.12Å; T230-M232 HydrophobicContact CG2-SD 3.38Å; T230-M232 WeakPolarHBondContact CG2-SD 3.33Å; T230-M232 PolarHBondContact O-N 2.89Å; T230-M232 PolarHBondContact OG1-N 2.92Å; T230-M232 VanDerWaalsContact OG1-N 3.12Å; T230-S236 WeakPolarHBondContact OG1-CB 3.49Å; T230-L247 HydrophobicContact CG2-CD2 4.24Å; T230-V248 PolarHBondContact N-O 2.92Å; T230-M250 PolarHBondContact O-N 2.86Å
231H91.8Very high91.8Very high19 Ų1922.9 Ų22.99%0.08813%0.128CC..  trans-64.3-9.5168.169.2-64.8000113.3F163 G233 S236 M250 I252 Q256F163-H231 VanDerWaalsContact C-ND1 3.29Å; F163-H231 HydrophobicContact CB-CB 4.32Å; F163-H231 HydrophobicContact CD1-CB 3.83Å; F163-H231 PolarHBondContact O-CE1 3.38Å; F163-H231 PolarHBondContact O-ND1 3.26Å; H231-G233 VanDerWaalsContact C-N 3.31Å; H231-G233 PolarHBondContact CD2-N 3.15Å; H231-G233 VanDerWaalsContact CD2-N 3.33Å; H231-G233 WeakPolarHBondContact NE2-CA 3.48Å; H231-G233 PolarHBondContact NE2-N 3.41Å; H231-G233 PolarHBondContact O-N 3.4Å; H231-S236 PolarHBondContact CE1-OG 3.36Å; H231-M250 WeakPolarHBondContact CA-O 3.44Å; H231-I252 HydrophobicContact CB-CD1 3.94Å; H231-I252 HydrophobicContact CB-CG1 4.2Å; H231-Q256 PolarHBondContact CD2-NE2 3.46Å; H231-Q256 WeakPolarHBondContact O-CB 3.47Å; H231-Q256 WeakPolarHBondContact O-CG 3.34Å; H231-Q256 PolarHBondContact O-OE1 3.17Å; H231-Q256 VanDerWaalsContact O-OE1 3.1Å
232M88.6Confident91.7Very high0 Ų022 Ų220%012%0.118CC..  trans65.826.4-179.2-57-67.4-65.800114.7T230 F237 L247 A249 Q256 N259 T260 A263T230-M232 HydrophobicContact CG2-CG 4.12Å; T230-M232 HydrophobicContact CG2-SD 3.38Å; T230-M232 WeakPolarHBondContact CG2-SD 3.33Å; T230-M232 PolarHBondContact O-N 2.89Å; T230-M232 PolarHBondContact OG1-N 2.92Å; T230-M232 VanDerWaalsContact OG1-N 3.12Å; M232-F237 HydrophobicContact CE-CB 4.48Å; M232-F237 HydrophobicContact CE-CD2 3.3Å; M232-F237 HydrophobicContact CE-CE2 3.86Å; M232-F237 HydrophobicContact CE-CG 4.25Å; M232-F237 HydrophobicContact SD-CD2 4.37Å; M232-L247 HydrophobicContact CE-CD1 3.89Å; M232-L247 HydrophobicContact SD-CB 4.44Å; M232-L247 HydrophobicContact SD-CD1 3.99Å; M232-A249 HydrophobicContact CE-CB 4.22Å; M232-A249 HydrophobicContact CG-CB 3.5Å; M232-A249 HydrophobicContact SD-CB 3.65Å; M232-Q256 HydrophobicContact CB-CB 4.36Å; M232-N259 HydrophobicContact CB-CB 4.18Å; M232-N259 HydrophobicContact CE-CB 4.23Å; M232-N259 WeakPolarHBondContact CE-O 3.21Å; M232-N259 WeakPolarHBondContact O-CB 3.4Å; M232-N259 PolarHBondContact O-ND2 3.03Å; M232-T260 WeakPolarHBondContact CG-OG1 3.47Å; M232-A263 HydrophobicContact CE-CB 3.67Å
233G82.3Confident91.7Very high4 Ų421.9 Ų21.94%0.04112%0.123CC..  trans-57.4148.3165.300000110.2H231 K235 S236 F237H231-G233 VanDerWaalsContact C-N 3.31Å; H231-G233 PolarHBondContact CD2-N 3.15Å; H231-G233 VanDerWaalsContact CD2-N 3.33Å; H231-G233 WeakPolarHBondContact NE2-CA 3.48Å; H231-G233 PolarHBondContact NE2-N 3.41Å; H231-G233 PolarHBondContact O-N 3.4Å; G233-K235 VanDerWaalsContact C-N 3.29Å; G233-K235 PolarHBondContact O-N 3.11Å; G233-S236 PolarHBondContact O-N 3.33Å; G233-S236 VanDerWaalsContact O-N 3.07Å; G233-F237 PolarHBondContact O-N 2.95Å
234Y77.5Confident91.8Very high19 Ų1919.3 Ų19.38%0.07510%0.1CC..Hα-helixtrans-51.7-46.2-171.1168.3-110.8000113.2F111 L112 H113 D132 H133 F237 R238 N259F111-Y234 VanDerWaalsContact O-CD2 3.3Å; F111-Y234 WeakPolarHBondContact O-CD2 3.26Å; L112-Y234 HydrophobicContact CD1-CD2 3.8Å; L112-Y234 HydrophobicContact CD1-CE2 4.28Å; H113-Y234 HydrophobicContact CB-CE2 3.84Å; H113-Y234 WeakPolarHBondContact O-CE2 3.48Å; H113-Y234 PolarHBondContact O-OH 2.91Å; D132-Y234 WeakPolarHBondContact CA-OH 3.29Å; D132-Y234 PolarHBondContact OD1-OH 2.94Å; H133-Y234 HydrophobicContact CB-CE1 3.96Å; H133-Y234 PolarHBondContact N-OH 3.42Å; Y234-F237 PolarHBondContact O-N 3.43Å; Y234-R238 HydrophobicContact CD2-CG 4.17Å; Y234-R238 HydrophobicContact CE1-CG 4.4Å; Y234-R238 HydrophobicContact CE2-CG 3.61Å; Y234-R238 WeakPolarHBondContact O-CG 3.47Å; Y234-R238 PolarHBondContact O-N 3.43Å; Y234-N259 WeakPolarHBondContact CA-ND2 3.45Å; Y234-N259 PolarHBondContact N-ND2 3.46Å
235K80.5Confident91.9Very high96 Ų9616.3 Ų16.342%0.4179%0.087SC..Hα-helixtrans-63.7-48.5177.8-173.4179.3175.9-167.80112.2G233 F237 R238 E239G233-K235 VanDerWaalsContact C-N 3.29Å; G233-K235 PolarHBondContact O-N 3.11Å; K235-F237 VanDerWaalsContact C-N 3.29Å; K235-F237 PolarHBondContact O-N 3.28Å; K235-R238 WeakPolarHBondContact O-CB 3.3Å; K235-R238 PolarHBondContact O-N 2.92Å; K235-R238 VanDerWaalsContact O-N 3.15Å; K235-E239 WeakPolarHBondContact CE-OE1 3.3Å; K235-E239 HydrophobicContact CG-CG 4.43Å; K235-E239 IonicContact NZ-OE1 3.81Å; K235-E239 WeakPolarHBondContact O-CG 3.43Å; K235-E239 PolarHBondContact O-N 3.16Å
236S88.8Confident92Very high8 Ų816.2 Ų16.26%0.0569%0.087CC..Hα-helixtrans-59.8-41.9178-68.40000111.6Q216 F228 T230 H231 G233 R238 E239 G240Q216-S236 PolarHBondContact NE2-OG 3.43Å; F228-S236 WeakPolarHBondContact CE1-O 3.09Å; T230-S236 WeakPolarHBondContact OG1-CB 3.49Å; H231-S236 PolarHBondContact CE1-OG 3.36Å; G233-S236 PolarHBondContact O-N 3.33Å; G233-S236 VanDerWaalsContact O-N 3.07Å; S236-R238 PolarHBondContact O-N 3.12Å; S236-E239 PolarHBondContact O-N 2.85Å; S236-G240 PolarHBondContact O-N 2.91Å
237F89Confident92Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-59.9-46.5175174.5-97.7000111.8L112 L114 M232 G233 Y234 K235 G240 L241 L247 V262 A263 I268 F302L112-F237 HydrophobicContact CD1-CB 4.44Å; L112-F237 HydrophobicContact CD1-CD1 3.12Å; L112-F237 HydrophobicContact CD1-CE1 3.34Å; L112-F237 HydrophobicContact CD1-CG 3.89Å; L112-F237 HydrophobicContact CD1-CZ 4.29Å; L112-F237 HydrophobicContact CD2-CD1 4.18Å; L112-F237 HydrophobicContact CD2-CE1 3.47Å; L112-F237 VanDerWaalsContact CD2-CE1 3.47Å; L112-F237 HydrophobicContact CD2-CZ 3.87Å; L112-F237 HydrophobicContact CG-CD1 4.15Å; L112-F237 HydrophobicContact CG-CE1 3.89Å; L114-F237 HydrophobicContact CD2-CE1 4.25Å; M232-F237 HydrophobicContact CE-CB 4.48Å; M232-F237 HydrophobicContact CE-CD2 3.3Å; M232-F237 HydrophobicContact CE-CE2 3.86Å; M232-F237 HydrophobicContact CE-CG 4.25Å; M232-F237 HydrophobicContact SD-CD2 4.37Å; G233-F237 PolarHBondContact O-N 2.95Å; Y234-F237 PolarHBondContact O-N 3.43Å; K235-F237 VanDerWaalsContact C-N 3.29Å; K235-F237 PolarHBondContact O-N 3.28Å; F237-G240 PolarHBondContact O-N 3.22Å; F237-L241 HydrophobicContact CD1-CD1 3.81Å; F237-L241 HydrophobicContact CD1-CG 4.23Å; F237-L241 HydrophobicContact CE1-CD1 3.16Å; F237-L241 HydrophobicContact CE1-CG 3.82Å; F237-L241 HydrophobicContact CE2-CD1 4.48Å; F237-L241 HydrophobicContact CE2-CG 4.36Å; F237-L241 HydrophobicContact CZ-CD1 3.6Å; F237-L241 HydrophobicContact CZ-CD2 4.17Å; F237-L241 HydrophobicContact CZ-CG 3.91Å; F237-L241 WeakPolarHBondContact O-CG 3.04Å; F237-L241 PolarHBondContact O-N 2.05Å; F237-L247 HydrophobicContact CD2-CD1 3.62Å; F237-L247 HydrophobicContact CE2-CD1 3.77Å; F237-V262 HydrophobicContact CZ-CG1 4.37Å; F237-A263 HydrophobicContact CE2-CB 4.05Å; F237-I268 HydrophobicContact CE2-CD1 3.94Å; F237-I268 HydrophobicContact CZ-CD1 4.13Å; F237-F302 HydrophobicContact CZ-CE1 4.41Å
238R87.1Confident92Very high1 Ų114 Ų140%0.0047%0.074CC..Hα-helixtrans-60.3-44.2176-77.1-76.4-66.4-176.9-14.1112.4D132 H133 Y234 K235 S236 G240 L241 C242D132-R238 VanDerWaalsContact CB-NH2 3.28Å; D132-R238 VanDerWaalsContact OD1-CD 3.24Å; D132-R238 WeakPolarHBondContact OD1-CD 3.48Å; D132-R238 IonicContact OD1-CZ 3.84Å; D132-R238 IonicContact OD1-NE 3.46Å; D132-R238 PolarHBondContact OD1-NE 2.82Å; D132-R238 IonicContact OD1-NH1 3.71Å; D132-R238 PolarHBondContact OD1-NH1 3.16Å; D132-R238 VanDerWaalsContact OD1-NH1 3.15Å; D132-R238 IonicContact OD1-NH2 2.84Å; D132-R238 PolarHBondContact OD1-NH2 3.24Å; D132-R238 VanDerWaalsContact OD1-NH2 3.07Å; D132-R238 IonicContact OD2-CZ 3.07Å; D132-R238 IonicContact OD2-NE 3.8Å; D132-R238 IonicContact OD2-NH1 3.51Å; D132-R238 PolarHBondContact OD2-NH1 3.21Å; D132-R238 IonicContact OD2-NH2 3.47Å; D132-R238 PolarHBondContact OD2-NH2 3.02Å; H133-R238 HydrophobicContact CB-CB 4Å; H133-R238 HydrophobicContact CB-CG 3.86Å; H133-R238 PolarHBondContact O-NE 2.88Å; H133-R238 PolarHBondContact O-NH2 2.79Å; Y234-R238 HydrophobicContact CD2-CG 4.17Å; Y234-R238 HydrophobicContact CE1-CG 4.4Å; Y234-R238 HydrophobicContact CE2-CG 3.61Å; Y234-R238 WeakPolarHBondContact O-CG 3.47Å; Y234-R238 PolarHBondContact O-N 3.43Å; K235-R238 WeakPolarHBondContact O-CB 3.3Å; K235-R238 PolarHBondContact O-N 2.92Å; K235-R238 VanDerWaalsContact O-N 3.15Å; S236-R238 PolarHBondContact O-N 3.12Å; R238-G240 VanDerWaalsContact C-N 3.35Å; R238-G240 PolarHBondContact O-N 3.1Å; R238-L241 WeakPolarHBondContact O-CB 3.24Å; R238-L241 PolarHBondContact O-N 3.49Å; R238-C242 WeakPolarHBondContact O-CB 3.07Å; R238-C242 PolarHBondContact O-N 3.38Å; R238-C242 PolarHBondContact O-SG 3.2Å
239E91.2Very high91.9Very high19 Ų1914 Ų149%0.0897%0.074CC..Hα-helixtrans-63.5-41.4177.5-70.8176.1156.700111.8Q216 S217 L220 K235 S236 L241 C242 A243Q216-E239 PolarHBondContact NE2-OE2 3.29Å; S217-E239 PolarHBondContact OG-OE1 3.15Å; L220-E239 HydrophobicContact CD1-CB 3.76Å; K235-E239 WeakPolarHBondContact CE-OE1 3.3Å; K235-E239 HydrophobicContact CG-CG 4.43Å; K235-E239 IonicContact NZ-OE1 3.81Å; K235-E239 WeakPolarHBondContact O-CG 3.43Å; K235-E239 PolarHBondContact O-N 3.16Å; S236-E239 PolarHBondContact O-N 2.85Å; E239-L241 PolarHBondContact O-N 3.48Å; E239-C242 PolarHBondContact O-N 2.63Å; E239-A243 VanDerWaalsContact O-CB 3.29Å; E239-A243 WeakPolarHBondContact O-CB 3.29Å; E239-A243 PolarHBondContact O-N 3.33Å
240G94.4Very high91.8Very high0 Ų014.3 Ų14.30%08%0.075CC..Hα-helixtrans-57.6-48171.400000112S236 F237 R238 A243 Q244 V245 M299S236-G240 PolarHBondContact O-N 2.91Å; F237-G240 PolarHBondContact O-N 3.22Å; R238-G240 VanDerWaalsContact C-N 3.35Å; R238-G240 PolarHBondContact O-N 3.1Å; G240-A243 CarbonylContact O-C 3.56Å; G240-A243 PolarHBondContact O-N 2.82Å; G240-Q244 PolarHBondContact O-N 3.15Å; G240-V245 PolarHBondContact O-N 3.07Å; G240-M299 WeakPolarHBondContact O-CE 3.42Å
241L93Very high91.5Very high0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-55.7-52.8174.2-76.4-175.6000112.7L114 F237 R238 E239 A243 Q244 I268 M299 F302 S303 V306L114-L241 HydrophobicContact CD2-CD1 3.97Å; F237-L241 HydrophobicContact CD1-CD1 3.81Å; F237-L241 HydrophobicContact CD1-CG 4.23Å; F237-L241 HydrophobicContact CE1-CD1 3.16Å; F237-L241 HydrophobicContact CE1-CG 3.82Å; F237-L241 HydrophobicContact CE2-CD1 4.48Å; F237-L241 HydrophobicContact CE2-CG 4.36Å; F237-L241 HydrophobicContact CZ-CD1 3.6Å; F237-L241 HydrophobicContact CZ-CD2 4.17Å; F237-L241 HydrophobicContact CZ-CG 3.91Å; F237-L241 WeakPolarHBondContact O-CG 3.04Å; F237-L241 PolarHBondContact O-N 2.05Å; R238-L241 WeakPolarHBondContact O-CB 3.24Å; R238-L241 PolarHBondContact O-N 3.49Å; E239-L241 PolarHBondContact O-N 3.48Å; L241-A243 VanDerWaalsContact C-N 3.29Å; L241-A243 PolarHBondContact O-N 2.88Å; L241-Q244 PolarHBondContact O-N 2.89Å; L241-I268 HydrophobicContact CD2-CD1 3.63Å; L241-M299 HydrophobicContact CB-CE 4.42Å; L241-M299 HydrophobicContact CD2-CE 3.84Å; L241-M299 HydrophobicContact CD2-SD 3.83Å; L241-M299 HydrophobicContact CG-CE 4.44Å; L241-F302 HydrophobicContact CD1-CE1 4.04Å; L241-F302 HydrophobicContact CD2-CD1 3.49Å; L241-F302 VanDerWaalsContact CD2-CD1 3.49Å; L241-F302 HydrophobicContact CD2-CE1 3.76Å; L241-S303 WeakPolarHBondContact O-CB 3.47Å; L241-S303 PolarHBondContact O-OG 2.77Å; L241-V306 HydrophobicContact CD1-CG1 4.49Å
242C91.2Very high91.2Very high31 Ų3115.2 Ų15.221%0.2098%0.08CC..Hα-helixtrans-58.7-42.2179.9-67.90000111.9C135 R238 E239 Q244C135-C242 WeakPolarHBondContact CA-SG 3.28Å; C135-C242 HydrophobicContact CB-CB 3.62Å; C135-C242 WeakPolarHBondContact CB-SG 2.95Å; C135-C242 WeakPolarHBondContact SG-CB 3.28Å; C135-C242 CovalentContact SG-SG 2.03Å; C135-C242 PolarHBondContact SG-SG 3.34Å; R238-C242 WeakPolarHBondContact O-CB 3.07Å; R238-C242 PolarHBondContact O-N 3.38Å; R238-C242 PolarHBondContact O-SG 3.2Å; E239-C242 PolarHBondContact O-N 2.63Å; C242-Q244 PolarHBondContact O-N 2.61Å
243A94.1Very high90.5Very high28 Ų2818.5 Ų18.523%0.23110%0.095CC..THydrogen-bonded Turntrans-77.6-6.417700000114.1L220 E239 G240 L241 V245L220-A243 HydrophobicContact CB-CB 3.69Å; L220-A243 VanDerWaalsContact O-CB 3.32Å; L220-A243 WeakPolarHBondContact O-CB 3.36Å; E239-A243 VanDerWaalsContact O-CB 3.29Å; E239-A243 WeakPolarHBondContact O-CB 3.29Å; E239-A243 PolarHBondContact O-N 3.33Å; G240-A243 CarbonylContact O-C 3.56Å; G240-A243 PolarHBondContact O-N 2.82Å; L241-A243 VanDerWaalsContact C-N 3.29Å; L241-A243 PolarHBondContact O-N 2.88Å; A243-V245 HydrophobicContact CB-CG2 3.82Å; A243-V245 PolarHBondContact O-N 3.05Å
244Q96.3Very high89.9Confident66 Ų6620.9 Ų20.931%0.30811%0.113SC..THydrogen-bonded Turntrans57.928.2-175.4-50.6-178.3-700113.1G240 L241 C242 P246 K296 M299 T300 S303G240-Q244 PolarHBondContact O-N 3.15Å; L241-Q244 PolarHBondContact O-N 2.89Å; C242-Q244 PolarHBondContact O-N 2.61Å; Q244-P246 WeakPolarHBondContact O-CD 3.08Å; Q244-K296 WeakPolarHBondContact O-CE 3.48Å; Q244-K296 PolarHBondContact O-NZ 3.32Å; Q244-M299 VanDerWaalsContact C-CG 3.42Å; Q244-M299 VanDerWaalsContact O-CG 3.31Å; Q244-M299 WeakPolarHBondContact O-CG 3.04Å; Q244-T300 PolarHBondContact OE1-OG1 2.9Å; Q244-S303 WeakPolarHBondContact CG-OG 3.48Å
245V97.8Very high89.5Confident1 Ų120.6 Ų20.61%0.00611%0.113CC..  trans-92.8117.1-175.6177.70000110.8L220 T225 A227 F228 G240 A243 L247 M299L220-V245 HydrophobicContact CD2-CB 4.25Å; L220-V245 HydrophobicContact CD2-CG1 4.31Å; L220-V245 HydrophobicContact CD2-CG2 4.28Å; T225-V245 HydrophobicContact CG2-CG1 4.21Å; T225-V245 HydrophobicContact CG2-CG2 4.16Å; A227-V245 VanDerWaalsContact C-CG1 3.49Å; F228-V245 HydrophobicContact CB-CG1 3.82Å; G240-V245 PolarHBondContact O-N 3.07Å; A243-V245 HydrophobicContact CB-CG2 3.82Å; A243-V245 PolarHBondContact O-N 3.05Å; V245-L247 WeakPolarHBondContact O-CD2 3.46Å; V245-M299 VanDerWaalsContact O-CE 3.29Å; V245-M299 WeakPolarHBondContact O-CE 3.42Å
246P98.5Very high89.6Confident3 Ų316.1 Ų16.12%0.0199%0.094CC..  trans-51.3144.5176.4-33.541.5000114.7F228 Q244 V289 I295 K296 M299F228-P246 PolarHBondContact N-O 3.38Å; Q244-P246 WeakPolarHBondContact O-CD 3.08Å; P246-V289 HydrophobicContact CB-CG1 3.35Å; P246-V289 HydrophobicContact CG-CG1 4.47Å; P246-I295 HydrophobicContact CB-CG2 3.94Å; P246-I295 HydrophobicContact CG-CG2 4.45Å; P246-K296 HydrophobicContact CG-CB 3.95Å; P246-K296 HydrophobicContact CG-CD 3.78Å; P246-K296 HydrophobicContact CG-CG 4.46Å; P246-M299 HydrophobicContact CG-CB 4.45Å
247L98.6Very high89.3Confident0 Ų021 Ų210%011%0.112CC..EExtended strand (participates in β ladder)trans-106137.1-167-53.6175000112.7F228 T230 M232 F237 V245 A263 I268 G269 V270F228-L247 HydrophobicContact CB-CD2 4.13Å; F228-L247 HydrophobicContact CD1-CD2 3.79Å; F228-L247 HydrophobicContact CG-CD2 4.37Å; F228-L247 CarbonylContact O-C 3.5Å; F228-L247 WeakPolarHBondContact O-CA 3.42Å; T230-L247 HydrophobicContact CG2-CD2 4.24Å; M232-L247 HydrophobicContact CE-CD1 3.89Å; M232-L247 HydrophobicContact SD-CB 4.44Å; M232-L247 HydrophobicContact SD-CD1 3.99Å; F237-L247 HydrophobicContact CD2-CD1 3.62Å; F237-L247 HydrophobicContact CE2-CD1 3.77Å; V245-L247 WeakPolarHBondContact O-CD2 3.46Å; L247-A263 HydrophobicContact CD1-CB 4.27Å; L247-I268 HydrophobicContact CD1-CD1 4.4Å; L247-I268 PolarHBondContact N-O 3.32Å; L247-I268 VanDerWaalsContact N-O 3.07Å; L247-G269 CarbonylContact O-C 3.59Å; L247-G269 WeakPolarHBondContact O-CA 3.36Å; L247-V270 PolarHBondContact O-N 3.41Å
248V98.7Very high88.7Confident0 Ų022.6 Ų22.60%012%0.119CC..EExtended strand (participates in β ladder)trans-103.1105.8155.9177.60000106.9F228 V229 T230 V270 V272 M282 A285 L286 V289F228-V248 PolarHBondContact O-N 3.48Å; V229-V248 WeakPolarHBondContact CA-O 3.4Å; V229-V248 HydrophobicContact CB-CB 4.27Å; V229-V248 HydrophobicContact CG1-CB 4.27Å; V229-V248 HydrophobicContact CG1-CG1 4.17Å; V229-V248 HydrophobicContact CG2-CB 3.94Å; V229-V248 HydrophobicContact CG2-CG1 4.39Å; V229-V248 HydrophobicContact CG2-CG2 4.33Å; T230-V248 PolarHBondContact N-O 2.92Å; V248-V270 CarbonylContact C-O 3.6Å; V248-V270 WeakPolarHBondContact CA-O 3.35Å; V248-V272 HydrophobicContact CG1-CG2 3.63Å; V248-M282 HydrophobicContact CG1-SD 4.29Å; V248-A285 HydrophobicContact CG1-CB 4.11Å; V248-L286 HydrophobicContact CG2-CD2 3.94Å; V248-L286 HydrophobicContact CG2-CG 4.33Å; V248-V289 HydrophobicContact CG2-CB 4.24Å; V248-V289 HydrophobicContact CG2-CG2 3.75Å
249A97.4Very high88.5Confident0 Ų022.6 Ų22.60%012%0.118CC..EExtended strand (participates in β ladder)trans-89.5114-172.500000110.7M232 P251 T260 V270 F271 V272M232-A249 HydrophobicContact CE-CB 4.22Å; M232-A249 HydrophobicContact CG-CB 3.5Å; M232-A249 HydrophobicContact SD-CB 3.65Å; A249-P251 WeakPolarHBondContact O-CD 3.06Å; A249-T260 HydrophobicContact CB-CG2 3.76Å; A249-V270 PolarHBondContact N-O 3.07Å; A249-F271 CarbonylContact O-C 3.41Å; A249-F271 WeakPolarHBondContact O-CA 3.39Å; A249-V272 PolarHBondContact O-N 2.99Å
250M95.3Very high88.3Confident5 Ų521.9 Ų21.93%0.02512%0.116CC..  trans-123.778.9173.8-176.4-170.4-59.700109.7F163 V176 T230 H231 V272 K274 I277 M282F163-M250 HydrophobicContact CE1-CB 4.07Å; F163-M250 HydrophobicContact CE1-CG 4.32Å; F163-M250 HydrophobicContact CE1-SD 3.83Å; F163-M250 HydrophobicContact CZ-CE 4.42Å; F163-M250 HydrophobicContact CZ-SD 3.99Å; V176-M250 HydrophobicContact CG1-SD 4.46Å; T230-M250 PolarHBondContact O-N 2.86Å; H231-M250 WeakPolarHBondContact CA-O 3.44Å; M250-V272 HydrophobicContact CE-CB 4.16Å; M250-V272 HydrophobicContact CE-CG1 3.8Å; M250-K274 HydrophobicContact CG-CB 3.97Å; M250-K274 HydrophobicContact SD-CB 4.04Å; M250-I277 HydrophobicContact CE-CD1 3.38Å; M250-I277 HydrophobicContact SD-CD1 4.43Å; M250-M282 HydrophobicContact CE-CE 3.15Å
251P90Very high87.9Confident2 Ų224 Ų241%0.01313%0.133CC..  trans-65.8139.5-177.728.7-36.4000112.4A249 Q256 Y257 T260 F271 K274A249-P251 WeakPolarHBondContact O-CD 3.06Å; P251-Q256 HydrophobicContact CB-CB 3.68Å; P251-Y257 HydrophobicContact CB-CD1 3.71Å; P251-Y257 HydrophobicContact CB-CD2 4.46Å; P251-Y257 HydrophobicContact CB-CE1 3.98Å; P251-Y257 HydrophobicContact CB-CG 3.98Å; P251-Y257 HydrophobicContact CG-CD1 3.5Å; P251-Y257 HydrophobicContact CG-CE1 3.73Å; P251-Y257 HydrophobicContact CG-CG 4.25Å; P251-T260 WeakPolarHBondContact CB-OG1 3.4Å; P251-T260 WeakPolarHBondContact CD-OG1 3.1Å; P251-T260 HydrophobicContact CG-CG2 4.18Å; P251-T260 WeakPolarHBondContact CG-OG1 3.38Å; P251-F271 HydrophobicContact CG-CD2 4.12Å; P251-F271 HydrophobicContact CG-CE2 3.71Å; P251-K274 PolarHBondContact O-NZ 2.91Å
252I84.7Confident87.5Confident37 Ų3724 Ų2419%0.1913%0.133CC..  trans-102.2-58.3-179-50.7176.6000110.1F163 F167 H231 Q256 Y257 K274F163-I252 HydrophobicContact CB-CD1 4.48Å; F163-I252 HydrophobicContact CD1-CD1 4.02Å; F167-I252 HydrophobicContact CD1-CD1 3.99Å; F167-I252 HydrophobicContact CD2-CD1 4.19Å; F167-I252 HydrophobicContact CE1-CB 4.33Å; F167-I252 HydrophobicContact CE1-CD1 3.48Å; F167-I252 VanDerWaalsContact CE1-CD1 3.48Å; F167-I252 HydrophobicContact CE1-CG1 4.46Å; F167-I252 HydrophobicContact CE1-CG2 3.77Å; F167-I252 HydrophobicContact CE2-CD1 3.67Å; F167-I252 HydrophobicContact CG-CD1 4.29Å; F167-I252 HydrophobicContact CZ-CB 3.83Å; F167-I252 HydrophobicContact CZ-CD1 3.24Å; F167-I252 HydrophobicContact CZ-CG1 4.08Å; F167-I252 HydrophobicContact CZ-CG2 3.72Å; H231-I252 HydrophobicContact CB-CD1 3.94Å; H231-I252 HydrophobicContact CB-CG1 4.2Å; I252-Q256 VanDerWaalsContact CB-OE1 3.25Å; I252-Y257 PolarHBondContact O-OH 3.14Å; I252-Y257 VanDerWaalsContact O-OH 3.1Å; I252-K274 HydrophobicContact CG1-CD 4.46Å; I252-K274 HydrophobicContact CG2-CD 4.31Å; I252-K274 WeakPolarHBondContact O-CE 3.47Å; I252-K274 PolarHBondContact O-NZ 3.34Å
253F74.7Confident87.5Confident69 Ų6922.5 Ų22.530%0.30312%0.123SC..SBendtrans-153175.9-178.365.7-101.3000113.6F60 F167 E255 Q256F60-F253 AromaticContact CE1-CE2 3.89Å; F60-F253 HydrophobicContact CE1-CE2 3.89Å; F60-F253 AromaticContact CE1-CZ 3.55Å; F60-F253 HydrophobicContact CE1-CZ 3.55Å; F60-F253 HydrophobicContact CZ-CE2 4.44Å; F60-F253 AromaticContact CZ-CZ 3.97Å; F60-F253 HydrophobicContact CZ-CZ 3.97Å; F167-F253 HydrophobicContact CE1-CE1 4.19Å; F167-F253 AromaticContact CE2-CE1 4Å; F167-F253 HydrophobicContact CE2-CE1 4Å; F167-F253 AromaticContact CZ-CD1 3.89Å; F167-F253 HydrophobicContact CZ-CD1 3.89Å; F167-F253 AromaticContact CZ-CE1 3.34Å; F167-F253 HydrophobicContact CZ-CE1 3.34Å; F167-F253 HydrophobicContact CZ-CZ 4.33Å; F253-E255 PolarHBondContact O-N 3.4Å; F253-Q256 WeakPolarHBondContact O-CB 3.42Å; F253-Q256 WeakPolarHBondContact O-CG 2.99Å; F253-Q256 PolarHBondContact O-N 2.74Å
254A68.9Low87.5Confident53 Ų5324.9 Ų24.944%0.43813%0.131SC..THydrogen-bonded Turntrans49-125.4175.500000113.9Q256A254-Q256 PolarHBondContact O-N 3.2Å
255E69.3Low87.2Confident13 Ų1326.9 Ų26.96%0.06114%0.14CC..THydrogen-bonded Turntrans-70.6-17.5-172.878.4-75.2-178.600114.6F111 F253 Y257 F258 N259F111-E255 HydrophobicContact CB-CB 3.43Å; F111-E255 VanDerWaalsContact CB-CB 3.43Å; F111-E255 HydrophobicContact CB-CG 3.88Å; F111-E255 HydrophobicContact CD2-CB 3.3Å; F111-E255 HydrophobicContact CD2-CG 4.44Å; F111-E255 HydrophobicContact CE2-CB 4.21Å; F111-E255 HydrophobicContact CG-CB 3.61Å; F111-E255 HydrophobicContact CG-CG 4.35Å; F253-E255 PolarHBondContact O-N 3.4Å; E255-Y257 PolarHBondContact O-N 3.35Å; E255-Y257 VanDerWaalsContact O-N 3.15Å; E255-F258 WeakPolarHBondContact O-CA 3.45Å; E255-F258 WeakPolarHBondContact O-CB 3.47Å; E255-F258 PolarHBondContact O-N 2.84Å; E255-N259 PolarHBondContact O-N 3.02Å; E255-N259 PolarHBondContact O-OD1 3.12Å
256Q82.8Confident87Confident3 Ų329.5 Ų29.51%0.01415%0.152CC..Hα-helixtrans-57.8-35.4-172.8-651692500111.5H231 M232 P251 I252 F253 A254 T260H231-Q256 PolarHBondContact CD2-NE2 3.46Å; H231-Q256 WeakPolarHBondContact O-CB 3.47Å; H231-Q256 WeakPolarHBondContact O-CG 3.34Å; H231-Q256 PolarHBondContact O-OE1 3.17Å; H231-Q256 VanDerWaalsContact O-OE1 3.1Å; M232-Q256 HydrophobicContact CB-CB 4.36Å; P251-Q256 HydrophobicContact CB-CB 3.68Å; I252-Q256 VanDerWaalsContact CB-OE1 3.25Å; F253-Q256 WeakPolarHBondContact O-CB 3.42Å; F253-Q256 WeakPolarHBondContact O-CG 2.99Å; F253-Q256 PolarHBondContact O-N 2.74Å; A254-Q256 PolarHBondContact O-N 3.2Å; Q256-T260 WeakPolarHBondContact O-CB 3.19Å; Q256-T260 PolarHBondContact O-N 2.86Å; Q256-T260 PolarHBondContact O-OG1 3.05Å
257Y82.8Confident86.9Confident111 Ų11130 Ų3044%0.43516%0.158SC..Hα-helixtrans-67-39.8175.2-66.8-77.7000112.8P251 I252 E255 T260 A261 K274P251-Y257 HydrophobicContact CB-CD1 3.71Å; P251-Y257 HydrophobicContact CB-CD2 4.46Å; P251-Y257 HydrophobicContact CB-CE1 3.98Å; P251-Y257 HydrophobicContact CB-CG 3.98Å; P251-Y257 HydrophobicContact CG-CD1 3.5Å; P251-Y257 HydrophobicContact CG-CE1 3.73Å; P251-Y257 HydrophobicContact CG-CG 4.25Å; I252-Y257 PolarHBondContact O-OH 3.14Å; I252-Y257 VanDerWaalsContact O-OH 3.1Å; E255-Y257 PolarHBondContact O-N 3.35Å; E255-Y257 VanDerWaalsContact O-N 3.15Å; Y257-T260 WeakPolarHBondContact O-CB 3.3Å; Y257-T260 PolarHBondContact O-N 2.87Å; Y257-A261 PolarHBondContact O-N 2.85Å; Y257-K274 PolarHBondContact OH-NZ 3.14Å
258F75.8Confident86.8Confident33 Ų3330 Ų3015%0.14516%0.158CC..Hα-helixtrans-66.4-45.6176.2178.9-103.5000110.9K109 R110 L112 F120 E255 T260 A261 V262K109-F258 WeakPolarHBondContact O-CD2 3.42Å; K109-F258 WeakPolarHBondContact O-CE2 3.36Å; K109-F258 WeakPolarHBondContact O-CG 3.39Å; R110-F258 HydrophobicContact CB-CZ 4.43Å; R110-F258 HydrophobicContact CG-CE2 4.24Å; R110-F258 HydrophobicContact CG-CZ 4.07Å; L112-F258 HydrophobicContact CB-CD1 3.75Å; L112-F258 HydrophobicContact CB-CE1 3.52Å; F120-F258 HydrophobicContact CB-CE2 4.35Å; F120-F258 HydrophobicContact CB-CZ 4.29Å; F120-F258 HydrophobicContact CD2-CD2 4.24Å; F120-F258 HydrophobicContact CD2-CE1 4.47Å; F120-F258 AromaticContact CD2-CE2 3.35Å; F120-F258 HydrophobicContact CD2-CE2 3.35Å; F120-F258 AromaticContact CD2-CZ 3.52Å; F120-F258 HydrophobicContact CD2-CZ 3.52Å; F120-F258 HydrophobicContact CE2-CD2 4.45Å; F120-F258 AromaticContact CE2-CE2 3.97Å; F120-F258 HydrophobicContact CE2-CE2 3.97Å; F120-F258 HydrophobicContact CE2-CZ 4.35Å; F120-F258 HydrophobicContact CG-CE2 4.22Å; F120-F258 HydrophobicContact CG-CZ 4.37Å; E255-F258 WeakPolarHBondContact O-CA 3.45Å; E255-F258 WeakPolarHBondContact O-CB 3.47Å; E255-F258 PolarHBondContact O-N 2.84Å; F258-T260 PolarHBondContact O-N 2.75Å; F258-A261 WeakPolarHBondContact O-CA 3.38Å; F258-A261 WeakPolarHBondContact O-CB 3.4Å; F258-A261 PolarHBondContact O-N 2.81Å; F258-V262 HydrophobicContact CD1-CG2 4.41Å; F258-V262 HydrophobicContact CE1-CG2 4.13Å; F258-V262 HydrophobicContact CZ-CG2 4.34Å; F258-V262 PolarHBondContact O-N 2.99Å
259N82.4Confident86.8Confident0 Ų030.4 Ų30.40%016%0.162CC..Hα-helixtrans-60.9-38.4176.5-60.6-9.1000111.1L112 M232 Y234 E255 V262 A263L112-N259 VanDerWaalsContact CB-OD1 3.26Å; L112-N259 WeakPolarHBondContact CB-OD1 3.29Å; L112-N259 HydrophobicContact CD1-CB 4.09Å; L112-N259 VanDerWaalsContact CD1-CG 3.48Å; L112-N259 WeakPolarHBondContact CD1-OD1 3.48Å; M232-N259 HydrophobicContact CB-CB 4.18Å; M232-N259 HydrophobicContact CE-CB 4.23Å; M232-N259 WeakPolarHBondContact CE-O 3.21Å; M232-N259 WeakPolarHBondContact O-CB 3.4Å; M232-N259 PolarHBondContact O-ND2 3.03Å; Y234-N259 WeakPolarHBondContact CA-ND2 3.45Å; Y234-N259 PolarHBondContact N-ND2 3.46Å; E255-N259 PolarHBondContact O-N 3.02Å; E255-N259 PolarHBondContact O-OD1 3.12Å; N259-V262 PolarHBondContact O-N 3.26Å; N259-A263 WeakPolarHBondContact O-CB 3.23Å; N259-A263 PolarHBondContact O-N 3.36Å
260T86.8Confident86.8Confident5 Ų531 Ų313%0.03117%0.166CC..Hα-helixtrans-59.9-48.7170.6-60.50000111.5M232 A249 P251 Q256 Y257 F258 V262 A263 L264 F271M232-T260 WeakPolarHBondContact CG-OG1 3.47Å; A249-T260 HydrophobicContact CB-CG2 3.76Å; P251-T260 WeakPolarHBondContact CB-OG1 3.4Å; P251-T260 WeakPolarHBondContact CD-OG1 3.1Å; P251-T260 HydrophobicContact CG-CG2 4.18Å; P251-T260 WeakPolarHBondContact CG-OG1 3.38Å; Q256-T260 WeakPolarHBondContact O-CB 3.19Å; Q256-T260 PolarHBondContact O-N 2.86Å; Q256-T260 PolarHBondContact O-OG1 3.05Å; Y257-T260 WeakPolarHBondContact O-CB 3.3Å; Y257-T260 PolarHBondContact O-N 2.87Å; F258-T260 PolarHBondContact O-N 2.75Å; T260-V262 VanDerWaalsContact C-N 3.3Å; T260-V262 PolarHBondContact O-N 3.37Å; T260-A263 WeakPolarHBondContact O-CB 3.49Å; T260-A263 PolarHBondContact O-N 3.42Å; T260-A263 VanDerWaalsContact O-N 3.11Å; T260-L264 HydrophobicContact CG2-CD1 4.05Å; T260-L264 HydrophobicContact CG2-CG 4.31Å; T260-L264 VanDerWaalsContact O-CG 3.31Å; T260-L264 WeakPolarHBondContact O-CG 2.87Å; T260-L264 PolarHBondContact O-N 3.13Å; T260-F271 HydrophobicContact CG2-CB 4.19Å; T260-F271 HydrophobicContact CG2-CD2 3.72Å; T260-F271 HydrophobicContact CG2-CG 4.31Å
261A86.3Confident86.9Confident43 Ų4335 Ų3536%0.35518%0.183SC..Hα-helixtrans-59.5-40.7178.400000112F120 Y257 F258 L264 Q265F120-A261 HydrophobicContact CE2-CB 4.36Å; F120-A261 HydrophobicContact CZ-CB 4.47Å; Y257-A261 PolarHBondContact O-N 2.85Å; F258-A261 WeakPolarHBondContact O-CA 3.38Å; F258-A261 WeakPolarHBondContact O-CB 3.4Å; F258-A261 PolarHBondContact O-N 2.81Å; A261-L264 PolarHBondContact O-N 2.85Å; A261-Q265 WeakPolarHBondContact O-CB 3.12Å; A261-Q265 PolarHBondContact O-N 2.83Å
262V85.2Confident87.3Confident0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-61.5-48.1172.9177.30000110.8L112 L114 F120 F237 F258 N259 T260 L264 Q265 K266L112-V262 HydrophobicContact CD2-CB 3.66Å; L112-V262 HydrophobicContact CD2-CG1 3.53Å; L112-V262 HydrophobicContact CD2-CG2 3.58Å; L114-V262 HydrophobicContact CD1-CG1 3.82Å; F120-V262 HydrophobicContact CD2-CG2 3.6Å; F120-V262 HydrophobicContact CE2-CB 4.24Å; F120-V262 HydrophobicContact CE2-CG2 3.3Å; F120-V262 HydrophobicContact CZ-CG2 4.33Å; F237-V262 HydrophobicContact CZ-CG1 4.37Å; F258-V262 HydrophobicContact CD1-CG2 4.41Å; F258-V262 HydrophobicContact CE1-CG2 4.13Å; F258-V262 HydrophobicContact CZ-CG2 4.34Å; F258-V262 PolarHBondContact O-N 2.99Å; N259-V262 PolarHBondContact O-N 3.26Å; T260-V262 VanDerWaalsContact C-N 3.3Å; T260-V262 PolarHBondContact O-N 3.37Å; V262-L264 VanDerWaalsContact C-N 3.29Å; V262-L264 PolarHBondContact O-N 3.43Å; V262-Q265 PolarHBondContact O-N 3.09Å; V262-K266 HydrophobicContact CG1-CG 4.18Å; V262-K266 WeakPolarHBondContact O-CG 3.17Å; V262-K266 PolarHBondContact O-N 3.22Å
263A91.3Very high87.8Confident0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-58.6-40.8179.800000112.6M232 F237 L247 N259 T260 G267 I268M232-A263 HydrophobicContact CE-CB 3.67Å; F237-A263 HydrophobicContact CE2-CB 4.05Å; L247-A263 HydrophobicContact CD1-CB 4.27Å; N259-A263 WeakPolarHBondContact O-CB 3.23Å; N259-A263 PolarHBondContact O-N 3.36Å; T260-A263 WeakPolarHBondContact O-CB 3.49Å; T260-A263 PolarHBondContact O-N 3.42Å; T260-A263 VanDerWaalsContact O-N 3.11Å; A263-G267 PolarHBondContact O-N 3Å; A263-I268 HydrophobicContact CB-CD1 4.31Å; A263-I268 HydrophobicContact CB-CG1 3.92Å; A263-I268 WeakPolarHBondContact O-CG1 3.23Å; A263-I268 PolarHBondContact O-N 3.4Å
264L93.9Very high88.4Confident78 Ų7835.5 Ų35.541%0.40819%0.187SC..Hα-helixtrans-69.5-44.3176.6-62.5173.1000111.8T260 A261 V262 K266 G267 F271T260-L264 HydrophobicContact CG2-CD1 4.05Å; T260-L264 HydrophobicContact CG2-CG 4.31Å; T260-L264 VanDerWaalsContact O-CG 3.31Å; T260-L264 WeakPolarHBondContact O-CG 2.87Å; T260-L264 PolarHBondContact O-N 3.13Å; A261-L264 PolarHBondContact O-N 2.85Å; V262-L264 VanDerWaalsContact C-N 3.29Å; V262-L264 PolarHBondContact O-N 3.43Å; L264-K266 VanDerWaalsContact C-N 3.3Å; L264-K266 PolarHBondContact O-N 3.15Å; L264-G267 WeakPolarHBondContact O-CA 3.04Å; L264-G267 PolarHBondContact O-N 3.46Å; L264-F271 HydrophobicContact CD1-CB 3.83Å; L264-F271 HydrophobicContact CD2-CB 3.82Å; L264-F271 HydrophobicContact CG-CB 4.31Å
265Q90.4Very high89.4Confident108 Ų10840.1 Ų40.151%0.50520%0.201SC..Hα-helixtrans-59.8-41.5178.1-171-162.325.900111.5F120 A261 V262 G267F120-Q265 HydrophobicContact CE1-CG 4.3Å; F120-Q265 HydrophobicContact CZ-CB 4.19Å; F120-Q265 HydrophobicContact CZ-CG 4.44Å; F120-Q265 VanDerWaalsContact CZ-OE1 3.28Å; A261-Q265 WeakPolarHBondContact O-CB 3.12Å; A261-Q265 PolarHBondContact O-N 2.83Å; V262-Q265 PolarHBondContact O-N 3.09Å; Q265-G267 VanDerWaalsContact C-N 3.26Å; Q265-G267 PolarHBondContact O-N 3.22Å
266K93.2Very high90.5Very high56 Ų5645.6 Ų45.624%0.24323%0.231CC..Hα-helixtrans-77.8-11.9176.3-56.9-62179.9178.70112.6L118 V262 L264 I268 F302L118-K266 VanDerWaalsContact O-CE 3.25Å; L118-K266 WeakPolarHBondContact O-CE 3.25Å; L118-K266 PolarHBondContact O-NZ 2.96Å; V262-K266 HydrophobicContact CG1-CG 4.18Å; V262-K266 WeakPolarHBondContact O-CG 3.17Å; V262-K266 PolarHBondContact O-N 3.22Å; L264-K266 VanDerWaalsContact C-N 3.3Å; L264-K266 PolarHBondContact O-N 3.15Å; K266-I268 VanDerWaalsContact C-N 3.34Å; K266-I268 HydrophobicContact CB-CD1 4.49Å; K266-I268 HydrophobicContact CB-CG1 4.29Å; K266-I268 HydrophobicContact CB-CG2 4Å; K266-F302 HydrophobicContact CB-CD1 4.46Å; K266-F302 HydrophobicContact CB-CG 4.47Å; K266-F302 HydrophobicContact CD-CD2 4.02Å; K266-F302 HydrophobicContact CD-CE2 3.73Å; K266-F302 HydrophobicContact CD-CZ 4.13Å; K266-F302 HydrophobicContact CG-CD1 4.34Å; K266-F302 HydrophobicContact CG-CD2 4.19Å; K266-F302 HydrophobicContact CG-CE1 4.07Å; K266-F302 HydrophobicContact CG-CE2 3.92Å; K266-F302 HydrophobicContact CG-CG 4.39Å; K266-F302 HydrophobicContact CG-CZ 3.84Å
267G96.6Very high91Very high14 Ų1445.8 Ų45.814%0.14423%0.232CC..THydrogen-bonded Turntrans66.133.8-178.400000113.4A263 L264 Q265 R298A263-G267 PolarHBondContact O-N 3Å; L264-G267 WeakPolarHBondContact O-CA 3.04Å; L264-G267 PolarHBondContact O-N 3.46Å; Q265-G267 VanDerWaalsContact C-N 3.26Å; Q265-G267 PolarHBondContact O-N 3.22Å; G267-R298 WeakPolarHBondContact O-CD 3.47Å
268I97.2Very high91.7Very high0 Ų042.7 Ų42.70%023%0.227CC..SBendtrans-1021.7-178.563.5173000112.9F237 L241 L247 A263 K266 R298 M299 F302F237-I268 HydrophobicContact CE2-CD1 3.94Å; F237-I268 HydrophobicContact CZ-CD1 4.13Å; L241-I268 HydrophobicContact CD2-CD1 3.63Å; L247-I268 HydrophobicContact CD1-CD1 4.4Å; L247-I268 PolarHBondContact N-O 3.32Å; L247-I268 VanDerWaalsContact N-O 3.07Å; A263-I268 HydrophobicContact CB-CD1 4.31Å; A263-I268 HydrophobicContact CB-CG1 3.92Å; A263-I268 WeakPolarHBondContact O-CG1 3.23Å; A263-I268 PolarHBondContact O-N 3.4Å; K266-I268 VanDerWaalsContact C-N 3.34Å; K266-I268 HydrophobicContact CB-CD1 4.49Å; K266-I268 HydrophobicContact CB-CG1 4.29Å; K266-I268 HydrophobicContact CB-CG2 4Å; I268-R298 HydrophobicContact CG2-CB 4.07Å; I268-M299 HydrophobicContact CB-CB 4.29Å; I268-M299 HydrophobicContact CB-SD 3.76Å; I268-M299 HydrophobicContact CD1-SD 3.99Å; I268-M299 HydrophobicContact CG1-SD 4.36Å; I268-M299 HydrophobicContact CG2-CB 4.23Å; I268-M299 HydrophobicContact CG2-SD 4.13Å; I268-F302 HydrophobicContact CD1-CD1 3.74Å; I268-F302 HydrophobicContact CD1-CE1 4.03Å; I268-F302 HydrophobicContact CG2-CB 4.19Å; I268-F302 HydrophobicContact CG2-CD1 4.4Å
269G97.6Very high92.7Very high8 Ų842.4 Ų42.48%0.08223%0.229CC..EExtended strand (participates in β ladder)trans-162.1176.1176.700000114.3L247L247-G269 CarbonylContact O-C 3.59Å; L247-G269 WeakPolarHBondContact O-CA 3.36Å
270V98.5Very high93.5Very high14 Ų1447.9 Ų47.99%0.08526%0.255CS..EExtended strand (participates in β ladder)trans-123.3132.9-179.9-179.90000109.1L247 V248 A249 A285 R288 V289 I295L247-V270 PolarHBondContact O-N 3.41Å; V248-V270 CarbonylContact C-O 3.6Å; V248-V270 WeakPolarHBondContact CA-O 3.35Å; A249-V270 PolarHBondContact N-O 3.07Å; V270-A285 HydrophobicContact CB-CB 4.4Å; V270-A285 HydrophobicContact CG1-CB 3.8Å; V270-R288 HydrophobicContact CG2-CB 4.25Å; V270-R288 HydrophobicContact CG2-CG 3.9Å; V270-V289 HydrophobicContact CB-CG2 4.05Å; V270-V289 HydrophobicContact CG2-CG2 3.61Å; V270-I295 HydrophobicContact CG2-CD1 4Å
271F97.6Very high94Very high87 Ų8749.5 Ų49.538%0.38227%0.269SS..EExtended strand (participates in β ladder)trans-84.3139.2179.5165.9-109.3000111.8A249 P251 T260 L264 N273A249-F271 CarbonylContact O-C 3.41Å; A249-F271 WeakPolarHBondContact O-CA 3.39Å; P251-F271 HydrophobicContact CG-CD2 4.12Å; P251-F271 HydrophobicContact CG-CE2 3.71Å; T260-F271 HydrophobicContact CG2-CB 4.19Å; T260-F271 HydrophobicContact CG2-CD2 3.72Å; T260-F271 HydrophobicContact CG2-CG 4.31Å; L264-F271 HydrophobicContact CD1-CB 3.83Å; L264-F271 HydrophobicContact CD2-CB 3.82Å; L264-F271 HydrophobicContact CG-CB 4.31Å; F271-N273 HydrophobicContact CE1-CB 3.85Å; F271-N273 HydrophobicContact CZ-CB 3.8Å
272V97.4Very high94.5Very high7 Ų747.5 Ų47.54%0.04225%0.252CS..  trans-122.9125.6169.7-179.60000109.1V248 A249 M250 K274 I277 M282 A285V248-V272 HydrophobicContact CG1-CG2 3.63Å; A249-V272 PolarHBondContact O-N 2.99Å; M250-V272 HydrophobicContact CE-CB 4.16Å; M250-V272 HydrophobicContact CE-CG1 3.8Å; V272-K274 PolarHBondContact O-N 2.93Å; V272-I277 HydrophobicContact CG1-CD1 3.84Å; V272-I277 HydrophobicContact CG1-CG1 3.89Å; V272-M282 HydrophobicContact CG1-CE 4.26Å; V272-M282 HydrophobicContact CG2-CE 4.47Å; V272-A285 HydrophobicContact CG2-CB 3.46Å; V272-A285 VanDerWaalsContact CG2-CB 3.46Å
273N94.4Very high95.2Very high72 Ų7250 Ų5039%0.38526%0.262SS..  trans-81.2109.9177.9-174.8-6.9000110.7F271 M275 N276 I277F271-N273 HydrophobicContact CE1-CB 3.85Å; F271-N273 HydrophobicContact CZ-CB 3.8Å; N273-M275 PolarHBondContact O-N 2.97Å; N273-M275 WeakPolarHBondContact OD1-CB 3.03Å; N273-M275 PolarHBondContact OD1-N 3.37Å; N273-N276 CarbonylContact O-C 3.58Å; N273-N276 VanDerWaalsContact O-C 3.31Å; N273-N276 PolarHBondContact O-N 3.41Å; N273-I277 WeakPolarHBondContact O-CB 3.25Å; N273-I277 PolarHBondContact O-N 2.95Å
274K89.1Confident95.5Very high41 Ų4157.2 Ų57.218%0.17829%0.29CS..G310 helixtrans-61.1-26.4177.169.1174.4-178.4-66.20114.5M250 P251 I252 Y257 V272 N276M250-K274 HydrophobicContact CG-CB 3.97Å; M250-K274 HydrophobicContact SD-CB 4.04Å; P251-K274 PolarHBondContact O-NZ 2.91Å; I252-K274 HydrophobicContact CG1-CD 4.46Å; I252-K274 HydrophobicContact CG2-CD 4.31Å; I252-K274 WeakPolarHBondContact O-CE 3.47Å; I252-K274 PolarHBondContact O-NZ 3.34Å; Y257-K274 PolarHBondContact OH-NZ 3.14Å; V272-K274 PolarHBondContact O-N 2.93Å; K274-N276 VanDerWaalsContact C-N 3.33Å
275M89.8Confident95.7Very high149 Ų14953.6 Ų53.673%0.73427%0.271SS*.G310 helixtrans-78.2-20.7-177.9-58.4-57.2-63.800112.5N273N273-M275 PolarHBondContact O-N 2.97Å; N273-M275 WeakPolarHBondContact OD1-CB 3.03Å; N273-M275 PolarHBondContact OD1-N 3.37Å
276N91.2Very high96.1Very high128 Ų12848.4 Ų48.468%0.68425%0.247SC*.G310 helixtrans-140.260.7179.3-172.322.5000109.2N273 K274N273-N276 CarbonylContact O-C 3.58Å; N273-N276 VanDerWaalsContact O-C 3.31Å; N273-N276 PolarHBondContact O-N 3.41Å; K274-N276 VanDerWaalsContact C-N 3.33Å
277I94.2Very high96.4Very high7 Ų749.5 Ų49.54%0.03625%0.25CC..  trans-97.5138.1-178.9-167.1177.2000110.6V176 A179 M180 M250 V272 N273 M282V176-I277 HydrophobicContact CB-CG2 4.22Å; V176-I277 HydrophobicContact CG1-CD1 4.41Å; V176-I277 HydrophobicContact CG1-CG2 4.24Å; V176-I277 HydrophobicContact CG2-CG2 3.93Å; A179-I277 HydrophobicContact CB-CB 4.38Å; A179-I277 HydrophobicContact CB-CD1 4.17Å; A179-I277 HydrophobicContact CB-CG1 3.89Å; A179-I277 HydrophobicContact CB-CG2 3.91Å; M180-I277 HydrophobicContact CG-CD1 4.4Å; M250-I277 HydrophobicContact CE-CD1 3.38Å; M250-I277 HydrophobicContact SD-CD1 4.43Å; V272-I277 HydrophobicContact CG1-CD1 3.84Å; V272-I277 HydrophobicContact CG1-CG1 3.89Å; N273-I277 WeakPolarHBondContact O-CB 3.25Å; N273-I277 PolarHBondContact O-N 2.95Å; I277-M282 HydrophobicContact CD1-CE 3.98Å
278S96.9Very high96.5Very high46 Ų4654.4 Ų54.432%0.32226%0.264SS..  trans-128.6166.3167.4760000110.4E280 A281 M282S278-E280 PolarHBondContact O-N 3.02Å; S278-E280 PolarHBondContact OG-N 3.24Å; S278-E280 PolarHBondContact OG-OE2 2.82Å; S278-A281 PolarHBondContact O-N 2.73Å; S278-A281 PolarHBondContact OG-N 3.45Å; S278-A281 VanDerWaalsContact OG-N 3.13Å; S278-M282 PolarHBondContact O-N 3.01Å; S278-M282 VanDerWaalsContact O-N 3.11Å
279S97.2Very high96.5Very high28 Ų2854.6 Ų54.620%0.19627%0.265CS..Hα-helixtrans-60-35.4173.7-62.20000112.1A179 Y283A179-S279 WeakPolarHBondContact CA-OG 3.45Å; A179-S279 VanDerWaalsContact O-CA 3.26Å; A179-S279 WeakPolarHBondContact O-CA 3.42Å; A179-S279 PolarHBondContact O-OG 2.8Å; A179-S279 VanDerWaalsContact O-OG 3.07Å; S279-Y283 WeakPolarHBondContact O-CB 3.49Å; S279-Y283 PolarHBondContact O-N 3.44Å
280E98.1Very high96.6Very high114 Ų11455.7 Ų55.753%0.53327%0.269SS..Hα-helixtrans-65-44.9175.8-67.564.7-143.100111.4S278 Y283 Y284S278-E280 PolarHBondContact O-N 3.02Å; S278-E280 PolarHBondContact OG-N 3.24Å; S278-E280 PolarHBondContact OG-OE2 2.82Å; E280-Y283 PolarHBondContact O-N 3.48Å; E280-Y284 VanDerWaalsContact O-CB 3.24Å; E280-Y284 WeakPolarHBondContact O-CB 3.08Å; E280-Y284 PolarHBondContact O-N 3.43Å
281A97.7Very high96.5Very high40 Ų4058.9 Ų58.933%0.33129%0.285SS..Hα-helixtrans-63.9-45.9-179.500000111.6S278 A285S278-A281 PolarHBondContact O-N 2.73Å; S278-A281 PolarHBondContact OG-N 3.45Å; S278-A281 VanDerWaalsContact OG-N 3.13Å; A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 2.66Å
282M97.9Very high96.5Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-65.4-45.9176.3175.657.769.800111.6M180 A183 F184 V229 V248 M250 V272 I277 S278 Y284 A285 L286M180-M282 HydrophobicContact CG-CE 4.04Å; A183-M282 HydrophobicContact CB-CB 3.74Å; A183-M282 HydrophobicContact CB-CG 3.49Å; A183-M282 VanDerWaalsContact CB-CG 3.49Å; F184-M282 HydrophobicContact CE1-CG 4.26Å; F184-M282 HydrophobicContact CE1-SD 4.44Å; V229-M282 HydrophobicContact CG1-CE 4.23Å; V248-M282 HydrophobicContact CG1-SD 4.29Å; M250-M282 HydrophobicContact CE-CE 3.15Å; V272-M282 HydrophobicContact CG1-CE 4.26Å; V272-M282 HydrophobicContact CG2-CE 4.47Å; I277-M282 HydrophobicContact CD1-CE 3.98Å; S278-M282 PolarHBondContact O-N 3.01Å; S278-M282 VanDerWaalsContact O-N 3.11Å; M282-Y284 VanDerWaalsContact C-N 3.35Å; M282-Y284 PolarHBondContact O-N 2.98Å; M282-A285 PolarHBondContact O-N 2.87Å; M282-L286 HydrophobicContact CG-CD1 4.11Å; M282-L286 PolarHBondContact O-N 3.36Å; M282-L286 HydrophobicContact SD-CD1 3.93Å; M282-L286 HydrophobicContact SD-CG 4.16Å
283Y98.5Very high96.5Very high53 Ų5366.5 Ų66.521%0.20832%0.315CS..Hα-helixtrans-59.9-44.8177.8177.4-100.4000111.6R186 L187 S279 E280 L286 R287R186-Y283 HydrophobicContact CB-CD2 3.9Å; R186-Y283 HydrophobicContact CB-CE2 3.79Å; L187-Y283 HydrophobicContact CD2-CD2 4.18Å; L187-Y283 HydrophobicContact CD2-CE2 3.75Å; L187-Y283 HydrophobicContact CG-CD2 4.13Å; L187-Y283 HydrophobicContact CG-CE2 4.07Å; S279-Y283 WeakPolarHBondContact O-CB 3.49Å; S279-Y283 PolarHBondContact O-N 3.44Å; E280-Y283 PolarHBondContact O-N 3.48Å; Y283-L286 PolarHBondContact O-N 3.04Å; Y283-R287 HydrophobicContact CD1-CG 4.06Å; Y283-R287 HydrophobicContact CD2-CG 4.3Å; Y283-R287 HydrophobicContact CE1-CG 3.65Å; Y283-R287 HydrophobicContact CE2-CG 3.9Å; Y283-R287 HydrophobicContact CG-CG 4.37Å; Y283-R287 WeakPolarHBondContact O-CB 3.49Å; Y283-R287 VanDerWaalsContact O-CG 3.25Å; Y283-R287 WeakPolarHBondContact O-CG 3.24Å; Y283-R287 PolarHBondContact O-N 3.02Å
284Y98.2Very high96.7Very high151 Ų15166 Ų6659%0.59232%0.315SS*.Hα-helixtrans-62.8-44.2177.1177.5-95.7000112E280 M282 L286 R287 R288E280-Y284 VanDerWaalsContact O-CB 3.24Å; E280-Y284 WeakPolarHBondContact O-CB 3.08Å; E280-Y284 PolarHBondContact O-N 3.43Å; M282-Y284 VanDerWaalsContact C-N 3.35Å; M282-Y284 PolarHBondContact O-N 2.98Å; Y284-L286 PolarHBondContact O-N 3.28Å; Y284-R287 PolarHBondContact O-N 2.79Å; Y284-R288 WeakPolarHBondContact O-CB 3.31Å; Y284-R288 PolarHBondContact O-N 3.3Å
285A98.6Very high97.2Very high2 Ų264.4 Ų64.42%0.01731%0.308CS..Hα-helixtrans-60.3-45.7177.500000111.8V248 V270 V272 A281 M282 R288 V289V248-A285 HydrophobicContact CG1-CB 4.11Å; V270-A285 HydrophobicContact CB-CB 4.4Å; V270-A285 HydrophobicContact CG1-CB 3.8Å; V272-A285 HydrophobicContact CG2-CB 3.46Å; V272-A285 VanDerWaalsContact CG2-CB 3.46Å; A281-A285 WeakPolarHBondContact O-CB 3.49Å; A281-A285 PolarHBondContact O-N 2.66Å; M282-A285 PolarHBondContact O-N 2.87Å; A285-R288 PolarHBondContact O-N 3.38Å; A285-V289 WeakPolarHBondContact O-CG2 3.41Å; A285-V289 PolarHBondContact O-N 2.83Å
286L98.7Very high97.6Very high0 Ų061.2 Ų61.20%029%0.29CS..Hα-helixtrans-62.1-48.8174.5-78.7166.8000111.8I159 F184 L187 A227 V229 V248 M282 Y283 Y284 R288 V289 L290I159-L286 HydrophobicContact CD1-CD2 4.32Å; I159-L286 HydrophobicContact CG2-CD2 3.77Å; F184-L286 HydrophobicContact CD1-CD1 4.09Å; F184-L286 HydrophobicContact CE1-CD1 3.93Å; L187-L286 HydrophobicContact CD1-CB 4.02Å; L187-L286 HydrophobicContact CD1-CD1 3.54Å; L187-L286 HydrophobicContact CD1-CG 4.34Å; A227-L286 HydrophobicContact CB-CD2 4.46Å; V229-L286 HydrophobicContact CG2-CD2 3.71Å; V229-L286 HydrophobicContact CG2-CG 4.46Å; V248-L286 HydrophobicContact CG2-CD2 3.94Å; V248-L286 HydrophobicContact CG2-CG 4.33Å; M282-L286 HydrophobicContact CG-CD1 4.11Å; M282-L286 PolarHBondContact O-N 3.36Å; M282-L286 HydrophobicContact SD-CD1 3.93Å; M282-L286 HydrophobicContact SD-CG 4.16Å; Y283-L286 PolarHBondContact O-N 3.04Å; Y284-L286 PolarHBondContact O-N 3.28Å; L286-R288 VanDerWaalsContact C-N 3.26Å; L286-R288 PolarHBondContact O-N 3.22Å; L286-V289 PolarHBondContact O-N 3.13Å; L286-L290 HydrophobicContact CB-CD1 4.38Å; L286-L290 WeakPolarHBondContact O-CB 3.28Å; L286-L290 WeakPolarHBondContact O-CD1 3.44Å; L286-L290 WeakPolarHBondContact O-CG 3.05Å; L286-L290 PolarHBondContact O-N 3.03Å
287R98.3Very high97.9Very high78 Ų7861.2 Ų61.229%0.29429%0.286SS..Hα-helixtrans-59.7-37.4177.9-73.3-67-63.8-177.6-0.1112Y283 Y284 N291Y283-R287 HydrophobicContact CD1-CG 4.06Å; Y283-R287 HydrophobicContact CD2-CG 4.3Å; Y283-R287 HydrophobicContact CE1-CG 3.65Å; Y283-R287 HydrophobicContact CE2-CG 3.9Å; Y283-R287 HydrophobicContact CG-CG 4.37Å; Y283-R287 WeakPolarHBondContact O-CB 3.49Å; Y283-R287 VanDerWaalsContact O-CG 3.25Å; Y283-R287 WeakPolarHBondContact O-CG 3.24Å; Y283-R287 PolarHBondContact O-N 3.02Å; Y284-R287 PolarHBondContact O-N 2.79Å; R287-N291 PolarHBondContact NE-ND2 2.88Å; R287-N291 VanDerWaalsContact NE-ND2 3.12Å; R287-N291 PolarHBondContact NH2-ND2 3.05Å; R287-N291 VanDerWaalsContact O-CB 3.31Å; R287-N291 WeakPolarHBondContact O-CB 3.34Å; R287-N291 PolarHBondContact O-N 3.12Å; R287-N291 PolarHBondContact O-ND2 3.31Å
288R98.5Very high98.1Very high117 Ų11767.1 Ų67.144%0.44231%0.308SS..Hα-helixtrans-63.3-51175.3-178.2170.4178.4177.20.8110.5V270 Y284 A285 L286 L290 N291 D292 I295V270-R288 HydrophobicContact CG2-CB 4.25Å; V270-R288 HydrophobicContact CG2-CG 3.9Å; Y284-R288 WeakPolarHBondContact O-CB 3.31Å; Y284-R288 PolarHBondContact O-N 3.3Å; A285-R288 PolarHBondContact O-N 3.38Å; L286-R288 VanDerWaalsContact C-N 3.26Å; L286-R288 PolarHBondContact O-N 3.22Å; R288-L290 VanDerWaalsContact C-N 3.31Å; R288-L290 PolarHBondContact O-N 3.44Å; R288-N291 PolarHBondContact O-N 2.89Å; R288-D292 HydrophobicContact CG-CB 4.5Å; R288-D292 WeakPolarHBondContact O-CB 3.32Å; R288-D292 PolarHBondContact O-N 3.45Å; R288-I295 HydrophobicContact CG-CD1 3.95Å
289V98.4Very high98.1Very high5 Ų565 Ų653%0.0329%0.293CS..Hα-helixtrans-61-38.4178.6171.50000112.7A227 P246 V248 V270 A285 L286 I295A227-V289 HydrophobicContact CB-CG1 3.91Å; P246-V289 HydrophobicContact CB-CG1 3.35Å; P246-V289 HydrophobicContact CG-CG1 4.47Å; V248-V289 HydrophobicContact CG2-CB 4.24Å; V248-V289 HydrophobicContact CG2-CG2 3.75Å; V270-V289 HydrophobicContact CB-CG2 4.05Å; V270-V289 HydrophobicContact CG2-CG2 3.61Å; A285-V289 WeakPolarHBondContact O-CG2 3.41Å; A285-V289 PolarHBondContact O-N 2.83Å; L286-V289 PolarHBondContact O-N 3.13Å; V289-I295 HydrophobicContact CG2-CD1 4.47Å
290L98.3Very high98.1Very high31 Ų3166 Ų6616%0.16230%0.298CS..Hα-helixtrans-77-31.9-177.2-68.3166.2000113.7I159 L187 Y190 V226 A227 L286 R288I159-L290 HydrophobicContact CD1-CD1 3.94Å; I159-L290 HydrophobicContact CG1-CD2 4.37Å; L187-L290 HydrophobicContact CD2-CD1 4.34Å; Y190-L290 HydrophobicContact CD1-CD2 4.21Å; Y190-L290 HydrophobicContact CD2-CD1 4.24Å; Y190-L290 HydrophobicContact CE1-CD1 4.3Å; Y190-L290 HydrophobicContact CE1-CD2 3.71Å; Y190-L290 HydrophobicContact CE1-CG 4.5Å; Y190-L290 HydrophobicContact CE2-CD1 3.86Å; V226-L290 HydrophobicContact CB-CD2 4.21Å; V226-L290 HydrophobicContact CG2-CD2 3.52Å; A227-L290 HydrophobicContact CB-CD2 3.93Å; A227-L290 HydrophobicContact CB-CG 4.48Å; L286-L290 HydrophobicContact CB-CD1 4.38Å; L286-L290 WeakPolarHBondContact O-CB 3.28Å; L286-L290 WeakPolarHBondContact O-CD1 3.44Å; L286-L290 WeakPolarHBondContact O-CG 3.05Å; L286-L290 PolarHBondContact O-N 3.03Å; R288-L290 VanDerWaalsContact C-N 3.31Å; R288-L290 PolarHBondContact O-N 3.44Å
291N97.8Very high98Very high80 Ų8068.8 Ų68.843%0.42830%0.303SS..Hα-helixtrans-104.3-30.3-174.1-60.6-55.8000113.7R287 R288 R293R287-N291 PolarHBondContact NE-ND2 2.88Å; R287-N291 VanDerWaalsContact NE-ND2 3.12Å; R287-N291 PolarHBondContact NH2-ND2 3.05Å; R287-N291 VanDerWaalsContact O-CB 3.31Å; R287-N291 WeakPolarHBondContact O-CB 3.34Å; R287-N291 PolarHBondContact O-N 3.12Å; R287-N291 PolarHBondContact O-ND2 3.31Å; R288-N291 PolarHBondContact O-N 2.89Å; N291-R293 PolarHBondContact O-N 3.34Å; N291-R293 VanDerWaalsContact O-N 3.1Å
292D97.9Very high97.9Very high52 Ų5267.1 Ų67.128%0.27829%0.289SS..  trans-78.896.1179.9-172.8-11.5000110.4R288 T294 I295R288-D292 HydrophobicContact CG-CB 4.5Å; R288-D292 WeakPolarHBondContact O-CB 3.32Å; R288-D292 PolarHBondContact O-N 3.45Å; D292-T294 VanDerWaalsContact CG-OG1 3.29Å; D292-T294 PolarHBondContact O-N 2.82Å; D292-T294 VanDerWaalsContact O-N 3.12Å; D292-T294 VanDerWaalsContact OD1-CB 3.27Å; D292-T294 WeakPolarHBondContact OD1-CB 3.33Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.31Å; D292-T294 PolarHBondContact OD1-N 2.9Å; D292-T294 PolarHBondContact OD1-OG1 3.43Å; D292-T294 PolarHBondContact OD2-OG1 2.7Å; D292-I295 HydrophobicContact CB-CD1 3.99Å; D292-I295 HydrophobicContact CB-CG1 4.1Å; D292-I295 PolarHBondContact O-N 3.43Å; D292-I295 VanDerWaalsContact O-N 3.15Å
293R97.1Very high97.6Very high202 Ų20267.1 Ų67.176%0.76229%0.289SS*.Hα-helixtrans-59.3-23.8178.9-63.8-175.4-179.9-172.60.2112.8N291 I295 K296 Q297N291-R293 PolarHBondContact O-N 3.34Å; N291-R293 VanDerWaalsContact O-N 3.1Å; R293-I295 VanDerWaalsContact C-N 3.27Å; R293-I295 PolarHBondContact O-N 2.98Å; R293-K296 PolarHBondContact O-N 3.29Å; R293-Q297 VanDerWaalsContact O-CG 3.28Å; R293-Q297 WeakPolarHBondContact O-CG 3.36Å; R293-Q297 PolarHBondContact O-N 3Å
294T98.4Very high97.4Very high63 Ų6367.8 Ų67.839%0.38730%0.301SS..Hα-helixtrans-66.7-31.9-179.674.40000111.6D292 Q297 R298D292-T294 VanDerWaalsContact CG-OG1 3.29Å; D292-T294 PolarHBondContact O-N 2.82Å; D292-T294 VanDerWaalsContact O-N 3.12Å; D292-T294 VanDerWaalsContact OD1-CB 3.27Å; D292-T294 WeakPolarHBondContact OD1-CB 3.33Å; D292-T294 WeakPolarHBondContact OD1-CG2 3.31Å; D292-T294 PolarHBondContact OD1-N 2.9Å; D292-T294 PolarHBondContact OD1-OG1 3.43Å; D292-T294 PolarHBondContact OD2-OG1 2.7Å; T294-Q297 PolarHBondContact O-N 3.22Å; T294-R298 WeakPolarHBondContact O-CB 3.37Å; T294-R298 VanDerWaalsContact O-CG 3.22Å; T294-R298 WeakPolarHBondContact O-CG 3.47Å; T294-R298 PolarHBondContact O-N 3.49Å
295I98.6Very high97Very high7 Ų764.3 Ų64.34%0.03629%0.29CS..Hα-helixtrans-65.5-46.6176.1-58.3179.1000109.7P246 V270 R288 V289 D292 R293 R298 M299P246-I295 HydrophobicContact CB-CG2 3.94Å; P246-I295 HydrophobicContact CG-CG2 4.45Å; V270-I295 HydrophobicContact CG2-CD1 4Å; R288-I295 HydrophobicContact CG-CD1 3.95Å; V289-I295 HydrophobicContact CG2-CD1 4.47Å; D292-I295 HydrophobicContact CB-CD1 3.99Å; D292-I295 HydrophobicContact CB-CG1 4.1Å; D292-I295 PolarHBondContact O-N 3.43Å; D292-I295 VanDerWaalsContact O-N 3.15Å; R293-I295 VanDerWaalsContact C-N 3.27Å; R293-I295 PolarHBondContact O-N 2.98Å; I295-R298 PolarHBondContact O-N 3.39Å; I295-M299 VanDerWaalsContact O-CB 3.26Å; I295-M299 WeakPolarHBondContact O-CB 3.26Å; I295-M299 PolarHBondContact O-N 2.8Å
296K98Very high96.5Very high82 Ų8264.2 Ų64.236%0.35729%0.29SS..Hα-helixtrans-63.6-41.7175.9179.764.8-177.7-169.90112.4Q244 P246 R293 M299 T300Q244-K296 WeakPolarHBondContact O-CE 3.48Å; Q244-K296 PolarHBondContact O-NZ 3.32Å; P246-K296 HydrophobicContact CG-CB 3.95Å; P246-K296 HydrophobicContact CG-CD 3.78Å; P246-K296 HydrophobicContact CG-CG 4.46Å; R293-K296 PolarHBondContact O-N 3.29Å; K296-M299 WeakPolarHBondContact O-CB 3.43Å; K296-M299 PolarHBondContact O-N 2.9Å; K296-T300 PolarHBondContact O-N 3.3Å; K296-T300 PolarHBondContact O-OG1 3.46Å
297Q98.5Very high95.9Very high127 Ų12767 Ų6759%0.59331%0.305SS*.Hα-helixtrans-62.7-45.7177-72.7168.5-10.400111.8R293 T294 M299 T300 R301R293-Q297 VanDerWaalsContact O-CG 3.28Å; R293-Q297 WeakPolarHBondContact O-CG 3.36Å; R293-Q297 PolarHBondContact O-N 3Å; T294-Q297 PolarHBondContact O-N 3.22Å; Q297-M299 VanDerWaalsContact C-N 3.29Å; Q297-M299 PolarHBondContact O-N 3.38Å; Q297-T300 PolarHBondContact O-N 3.09Å; Q297-R301 WeakPolarHBondContact O-CB 3.19Å; Q297-R301 PolarHBondContact O-N 2.77Å
298R98Very high95.5Very high132 Ų13270.1 Ų70.150%0.49833%0.327SS..Hα-helixtrans-61.5-40.2174.2-72.6172.1-174.6-1396.4111.2G267 I268 T294 I295 R301 F302G267-R298 WeakPolarHBondContact O-CD 3.47Å; I268-R298 HydrophobicContact CG2-CB 4.07Å; T294-R298 WeakPolarHBondContact O-CB 3.37Å; T294-R298 VanDerWaalsContact O-CG 3.22Å; T294-R298 WeakPolarHBondContact O-CG 3.47Å; T294-R298 PolarHBondContact O-N 3.49Å; I295-R298 PolarHBondContact O-N 3.39Å; R298-R301 PolarHBondContact O-N 2.68Å; R298-F302 WeakPolarHBondContact O-CB 3.44Å; R298-F302 PolarHBondContact O-N 2.92Å
299M97Very high94.7Very high0 Ų067.3 Ų67.30%032%0.319CS..Hα-helixtrans-61.8-49.3177.9-176.959.8175.600112G240 L241 Q244 V245 P246 I268 I295 K296 Q297 F302 S303G240-M299 WeakPolarHBondContact O-CE 3.42Å; L241-M299 HydrophobicContact CB-CE 4.42Å; L241-M299 HydrophobicContact CD2-CE 3.84Å; L241-M299 HydrophobicContact CD2-SD 3.83Å; L241-M299 HydrophobicContact CG-CE 4.44Å; Q244-M299 VanDerWaalsContact C-CG 3.42Å; Q244-M299 VanDerWaalsContact O-CG 3.31Å; Q244-M299 WeakPolarHBondContact O-CG 3.04Å; V245-M299 VanDerWaalsContact O-CE 3.29Å; V245-M299 WeakPolarHBondContact O-CE 3.42Å; P246-M299 HydrophobicContact CG-CB 4.45Å; I268-M299 HydrophobicContact CB-CB 4.29Å; I268-M299 HydrophobicContact CB-SD 3.76Å; I268-M299 HydrophobicContact CD1-SD 3.99Å; I268-M299 HydrophobicContact CG1-SD 4.36Å; I268-M299 HydrophobicContact CG2-CB 4.23Å; I268-M299 HydrophobicContact CG2-SD 4.13Å; I295-M299 VanDerWaalsContact O-CB 3.26Å; I295-M299 WeakPolarHBondContact O-CB 3.26Å; I295-M299 PolarHBondContact O-N 2.8Å; K296-M299 WeakPolarHBondContact O-CB 3.43Å; K296-M299 PolarHBondContact O-N 2.9Å; Q297-M299 VanDerWaalsContact C-N 3.29Å; Q297-M299 PolarHBondContact O-N 3.38Å; M299-F302 PolarHBondContact O-N 3.26Å; M299-S303 WeakPolarHBondContact O-CB 3.44Å; M299-S303 PolarHBondContact O-N 3.37Å
300T96.9Very high94.2Very high49 Ų4976.8 Ų76.830%0.30136%0.36SS..Hα-helixtrans-62-45.2176.6-68.10000111.6Q244 K296 Q297 S303 S304Q244-T300 PolarHBondContact OE1-OG1 2.9Å; K296-T300 PolarHBondContact O-N 3.3Å; K296-T300 PolarHBondContact O-OG1 3.46Å; Q297-T300 PolarHBondContact O-N 3.09Å; T300-S303 PolarHBondContact O-N 2.84Å; T300-S304 PolarHBondContact O-N 3.11Å
301R96.8Very high93.6Very high173 Ų17378.4 Ų78.465%0.65337%0.368SS*.Hα-helixtrans-62.4-44.5177.1179.3179.3178.7174.52.7112.3Q297 R298 S304 Q305Q297-R301 WeakPolarHBondContact O-CB 3.19Å; Q297-R301 PolarHBondContact O-N 2.77Å; R298-R301 PolarHBondContact O-N 2.68Å; R301-S304 PolarHBondContact O-N 3.19Å; R301-S304 PolarHBondContact O-OG 3.46Å; R301-Q305 VanDerWaalsContact O-CG 3.29Å; R301-Q305 WeakPolarHBondContact O-CG 3.23Å; R301-Q305 PolarHBondContact O-N 2.65Å; R301-Q305 VanDerWaalsContact O-N 3.12Å
302F94.4Very high93Very high5 Ų578.2 Ų78.22%0.02237%0.367CS..Hα-helixtrans-70.5-40.3-178-175.8-120.6000111.2L114 L118 F237 L241 K266 I268 R298 M299 S304 Q305 V306L114-F302 HydrophobicContact CD1-CE1 4.4Å; L114-F302 HydrophobicContact CD1-CZ 3.65Å; L114-F302 HydrophobicContact CD2-CE1 4.47Å; L114-F302 HydrophobicContact CD2-CZ 4.19Å; L118-F302 HydrophobicContact CB-CE2 4.09Å; L118-F302 HydrophobicContact CD1-CE2 4.26Å; L118-F302 HydrophobicContact CD2-CE2 4.3Å; L118-F302 HydrophobicContact CG-CE2 4.46Å; F237-F302 HydrophobicContact CZ-CE1 4.41Å; L241-F302 HydrophobicContact CD1-CE1 4.04Å; L241-F302 HydrophobicContact CD2-CD1 3.49Å; L241-F302 VanDerWaalsContact CD2-CD1 3.49Å; L241-F302 HydrophobicContact CD2-CE1 3.76Å; K266-F302 HydrophobicContact CB-CD1 4.46Å; K266-F302 HydrophobicContact CB-CG 4.47Å; K266-F302 HydrophobicContact CD-CD2 4.02Å; K266-F302 HydrophobicContact CD-CE2 3.73Å; K266-F302 HydrophobicContact CD-CZ 4.13Å; K266-F302 HydrophobicContact CG-CD1 4.34Å; K266-F302 HydrophobicContact CG-CD2 4.19Å; K266-F302 HydrophobicContact CG-CE1 4.07Å; K266-F302 HydrophobicContact CG-CE2 3.92Å; K266-F302 HydrophobicContact CG-CG 4.39Å; K266-F302 HydrophobicContact CG-CZ 3.84Å; I268-F302 HydrophobicContact CD1-CD1 3.74Å; I268-F302 HydrophobicContact CD1-CE1 4.03Å; I268-F302 HydrophobicContact CG2-CB 4.19Å; I268-F302 HydrophobicContact CG2-CD1 4.4Å; R298-F302 WeakPolarHBondContact O-CB 3.44Å; R298-F302 PolarHBondContact O-N 2.92Å; M299-F302 PolarHBondContact O-N 3.26Å; F302-S304 VanDerWaalsContact C-N 3.34Å; F302-S304 PolarHBondContact O-N 2.9Å; F302-Q305 PolarHBondContact O-N 3.29Å; F302-V306 HydrophobicContact CD1-CG2 4.25Å; F302-V306 HydrophobicContact CD2-CG2 4.15Å; F302-V306 HydrophobicContact CE1-CG2 3.9Å; F302-V306 HydrophobicContact CE2-CG2 3.77Å; F302-V306 HydrophobicContact CG-CG2 4.37Å; F302-V306 HydrophobicContact CZ-CG2 3.64Å; F302-V306 VanDerWaalsContact O-CG2 3.28Å; F302-V306 WeakPolarHBondContact O-CG2 3.44Å; F302-V306 PolarHBondContact O-N 3.5Å
303S93.2Very high92Very high1 Ų176.3 Ų76.31%0.00736%0.357CS..Hα-helixtrans-57.2-45.4171.9179.30000112.2L241 Q244 M299 T300 Q305 V306 N307L241-S303 WeakPolarHBondContact O-CB 3.47Å; L241-S303 PolarHBondContact O-OG 2.77Å; Q244-S303 WeakPolarHBondContact CG-OG 3.48Å; M299-S303 WeakPolarHBondContact O-CB 3.44Å; M299-S303 PolarHBondContact O-N 3.37Å; T300-S303 PolarHBondContact O-N 2.84Å; S303-Q305 VanDerWaalsContact C-N 3.33Å; S303-Q305 PolarHBondContact O-N 2.99Å; S303-V306 PolarHBondContact O-N 3.46Å; S303-N307 WeakPolarHBondContact O-CB 3.39Å; S303-N307 PolarHBondContact O-N 3.26Å; S303-N307 PolarHBondContact O-ND2 3.41Å; S303-N307 PolarHBondContact OG-ND2 2.97Å; S303-N307 VanDerWaalsContact OG-ND2 3.15Å
304S92.9Very high91.3Very high66 Ų6667.6 Ų67.646%0.46233%0.326SS..Hα-helixtrans-62.8-40177.570.50000111.9T300 R301 F302 D308T300-S304 PolarHBondContact O-N 3.11Å; R301-S304 PolarHBondContact O-N 3.19Å; R301-S304 PolarHBondContact O-OG 3.46Å; F302-S304 VanDerWaalsContact C-N 3.34Å; F302-S304 PolarHBondContact O-N 2.9Å; S304-D308 VanDerWaalsContact O-CB 3.28Å; S304-D308 WeakPolarHBondContact O-CB 3.18Å; S304-D308 PolarHBondContact O-N 3.18Å; S304-D308 VanDerWaalsContact O-N 3.1Å
305Q91.5Very high90.7Very high79 Ų7969.1 Ų69.137%0.36933%0.332SS..Hα-helixtrans-65.6-39.7176.4-70.1172.6-33.700112.9L118 R301 F302 S303L118-Q305 HydrophobicContact CD1-CB 3.93Å; L118-Q305 HydrophobicContact CD2-CB 4.34Å; R301-Q305 VanDerWaalsContact O-CG 3.29Å; R301-Q305 WeakPolarHBondContact O-CG 3.23Å; R301-Q305 PolarHBondContact O-N 2.65Å; R301-Q305 VanDerWaalsContact O-N 3.12Å; F302-Q305 PolarHBondContact O-N 3.29Å; S303-Q305 VanDerWaalsContact C-N 3.33Å; S303-Q305 PolarHBondContact O-N 2.99Å
306V86.5Confident89.7Confident0 Ų070.6 Ų70.60%034%0.34CS..Hα-helixtrans-71-37.1-178.8170.20000111.5L114 L118 L241 F302 S303 Q309L114-V306 HydrophobicContact CD2-CG1 3.96Å; L114-V306 HydrophobicContact CD2-CG2 3.79Å; L118-V306 HydrophobicContact CD1-CB 4.17Å; L118-V306 HydrophobicContact CD1-CG2 3.49Å; L118-V306 VanDerWaalsContact CD1-CG2 3.49Å; L241-V306 HydrophobicContact CD1-CG1 4.49Å; F302-V306 HydrophobicContact CD1-CG2 4.25Å; F302-V306 HydrophobicContact CD2-CG2 4.15Å; F302-V306 HydrophobicContact CE1-CG2 3.9Å; F302-V306 HydrophobicContact CE2-CG2 3.77Å; F302-V306 HydrophobicContact CG-CG2 4.37Å; F302-V306 HydrophobicContact CZ-CG2 3.64Å; F302-V306 VanDerWaalsContact O-CG2 3.28Å; F302-V306 WeakPolarHBondContact O-CG2 3.44Å; F302-V306 PolarHBondContact O-N 3.5Å; S303-V306 PolarHBondContact O-N 3.46Å; V306-Q309 WeakPolarHBondContact O-CG 3.14Å; V306-Q309 PolarHBondContact O-NE2 3.08Å
307N87Confident88.6Confident59 Ų5967.1 Ų67.132%0.31633%0.327SS..Hα-helixtrans-88.7-9.3-175.8-65.5-41.9000113.7C135 S303 Q309C135-N307 PolarHBondContact SG-OD1 3.05Å; S303-N307 WeakPolarHBondContact O-CB 3.39Å; S303-N307 PolarHBondContact O-N 3.26Å; S303-N307 PolarHBondContact O-ND2 3.41Å; S303-N307 PolarHBondContact OG-ND2 2.97Å; S303-N307 VanDerWaalsContact OG-ND2 3.15Å; N307-Q309 VanDerWaalsContact C-N 3.27Å; N307-Q309 PolarHBondContact O-N 3.28Å
308D89.1Confident87.6Confident142 Ų14261.6 Ų61.676%0.75930%0.302SS*.  trans-78.176.8173.2-16917.2000110S304S304-D308 VanDerWaalsContact O-CB 3.28Å; S304-D308 WeakPolarHBondContact O-CB 3.18Å; S304-D308 PolarHBondContact O-N 3.18Å; S304-D308 VanDerWaalsContact O-N 3.1Å
309Q82.7Confident86.8Confident58 Ų5860.5 Ų60.527%0.27130%0.301SS..  trans-117.3141.9-177.6-58.1-173.16.700110.4D132 V306 N307 I311D132-Q309 PolarHBondContact OD2-NE2 3.38Å; V306-Q309 WeakPolarHBondContact O-CG 3.14Å; V306-Q309 PolarHBondContact O-NE2 3.08Å; N307-Q309 VanDerWaalsContact C-N 3.27Å; N307-Q309 PolarHBondContact O-N 3.28Å; Q309-I311 VanDerWaalsContact C-N 3.29Å; Q309-I311 PolarHBondContact O-N 2.75Å
310F86.6Confident85.8Confident205 Ų20564.3 Ų64.390%0.89932%0.315SS*.SBendtrans-64.9-30.7179.6178.3-112.2000113.3
311I86.4Confident84.6Confident64 Ų6462.2 Ų62.233%0.32830%0.302SS..SBendtrans-130.4136.3-179-52.4-180000107.8Q309 D315 L316Q309-I311 VanDerWaalsContact C-N 3.29Å; Q309-I311 PolarHBondContact O-N 2.75Å; I311-D315 HydrophobicContact CG2-CB 3.76Å; I311-L316 HydrophobicContact CB-CB 4.38Å; I311-L316 HydrophobicContact CD1-CD1 4.29Å; I311-L316 HydrophobicContact CG2-CB 3.95Å
312D85.4Confident83.7Confident77 Ų7755 Ų5541%0.41228%0.276SS..  trans-59.1141.1172.1-178.7-85.6000110.2V314 D315 L316D312-V314 PolarHBondContact O-N 3.5Å; D312-V314 VanDerWaalsContact O-N 3.14Å; D312-V314 VanDerWaalsContact OD1-CB 3.3Å; D312-V314 WeakPolarHBondContact OD1-CB 3.36Å; D312-V314 PolarHBondContact OD1-N 3.33Å; D312-D315 HydrophobicContact CB-CB 4.35Å; D312-D315 PolarHBondContact O-N 2.8Å; D312-L316 PolarHBondContact O-N 3.31Å
313P77.8Confident82.8Confident11 Ų1157.4 Ų57.47%0.07129%0.287CS..Hα-helixtrans-57.3-32.9-177-25.733.6000114.5V131 D132 A317V131-P313 HydrophobicContact CG1-CB 4.05Å; V131-P313 WeakPolarHBondContact CG1-O 3.45Å; D132-P313 HydrophobicContact CB-CB 4.25Å; D132-P313 HydrophobicContact CB-CG 4.11Å; D132-P313 WeakPolarHBondContact O-CB 3.5Å; P313-A317 PolarHBondContact O-N 2.77Å
314V81.7Confident81.7Confident19 Ų1957.7 Ų57.712%0.11529%0.289CS..Hα-helixtrans-68.2-44.2176.9-178.70000110.6P3 A7 P134 D312 L316 A317 T318P3-V314 HydrophobicContact CB-CG1 4.27Å; P3-V314 HydrophobicContact CB-CG2 3.9Å; A7-V314 HydrophobicContact CB-CG1 3.97Å; P134-V314 HydrophobicContact CB-CG2 3.85Å; P134-V314 HydrophobicContact CG-CG2 3.75Å; D312-V314 PolarHBondContact O-N 3.5Å; D312-V314 VanDerWaalsContact O-N 3.14Å; D312-V314 VanDerWaalsContact OD1-CB 3.3Å; D312-V314 WeakPolarHBondContact OD1-CB 3.36Å; D312-V314 PolarHBondContact OD1-N 3.33Å; V314-L316 VanDerWaalsContact C-N 3.35Å; V314-A317 PolarHBondContact O-N 3.47Å; V314-T318 WeakPolarHBondContact O-CB 3.46Å; V314-T318 PolarHBondContact O-N 3.48Å; V314-T318 PolarHBondContact O-OG1 3Å
315D85.6Confident80.7Confident95 Ų9555.6 Ų55.651%0.50827%0.272SS..Hα-helixtrans-66.8-39179-65.1-27.1000111I311 D312 T318 F319I311-D315 HydrophobicContact CG2-CB 3.76Å; D312-D315 HydrophobicContact CB-CB 4.35Å; D312-D315 PolarHBondContact O-N 2.8Å; D315-T318 PolarHBondContact O-N 2.83Å; D315-F319 WeakPolarHBondContact O-CB 3.36Å; D315-F319 PolarHBondContact O-N 3.44Å
316L78.7Confident80.2Confident38 Ų3858.7 Ų58.720%0.19928%0.28CS..Hα-helixtrans-61.6-49.5175.2-178.364.9000111.5V131 I311 D312 V314 T318 F319 W320V131-L316 HydrophobicContact CG2-CD2 4.42Å; V131-L316 HydrophobicContact CG2-CG 4.43Å; I311-L316 HydrophobicContact CB-CB 4.38Å; I311-L316 HydrophobicContact CD1-CD1 4.29Å; I311-L316 HydrophobicContact CG2-CB 3.95Å; D312-L316 PolarHBondContact O-N 3.31Å; V314-L316 VanDerWaalsContact C-N 3.35Å; L316-T318 VanDerWaalsContact C-N 3.34Å; L316-T318 PolarHBondContact O-N 3.37Å; L316-F319 PolarHBondContact O-N 2.92Å; L316-W320 VanDerWaalsContact O-CD1 3.24Å; L316-W320 PolarHBondContact O-N 2.78Å; L316-W320 VanDerWaalsContact O-N 3.1Å
317A73.8Confident79.6Confident10 Ų1062.6 Ų62.68%0.08330%0.298CS..Hα-helixtrans-60.2-45.4175.100000111.7L4 V131 P313 V314 F319 W320 I321L4-A317 HydrophobicContact CD1-CB 3.55Å; L4-A317 HydrophobicContact CD2-CB 4.07Å; L4-A317 HydrophobicContact CG-CB 4.44Å; V131-A317 HydrophobicContact CB-CB 4.37Å; V131-A317 HydrophobicContact CG1-CB 3.82Å; V131-A317 HydrophobicContact CG2-CB 4Å; P313-A317 PolarHBondContact O-N 2.77Å; V314-A317 PolarHBondContact O-N 3.47Å; A317-F319 VanDerWaalsContact C-N 3.34Å; A317-F319 PolarHBondContact O-N 2.9Å; A317-W320 PolarHBondContact O-N 3.24Å; A317-I321 WeakPolarHBondContact O-CB 3.34Å; A317-I321 WeakPolarHBondContact O-CD1 3.46Å; A317-I321 VanDerWaalsContact O-CG1 3.24Å; A317-I321 WeakPolarHBondContact O-CG1 3.1Å; A317-I321 PolarHBondContact O-N 3.1Å
318T77.7Confident78.7Confident11 Ų1165.7 Ų65.77%0.06731%0.309CS..Hα-helixtrans-60.5-45.4-179.5-57.40000110.8L4 A7 L8 V314 D315 L316 W320 I321 N322L4-T318 WeakPolarHBondContact CD1-OG1 3.49Å; A7-T318 HydrophobicContact CB-CG2 4.11Å; A7-T318 WeakPolarHBondContact CB-OG1 3.06Å; L8-T318 HydrophobicContact CD2-CG2 4.08Å; L8-T318 HydrophobicContact CG-CG2 4.46Å; V314-T318 WeakPolarHBondContact O-CB 3.46Å; V314-T318 PolarHBondContact O-N 3.48Å; V314-T318 PolarHBondContact O-OG1 3Å; D315-T318 PolarHBondContact O-N 2.83Å; L316-T318 VanDerWaalsContact C-N 3.34Å; L316-T318 PolarHBondContact O-N 3.37Å; T318-W320 PolarHBondContact O-N 3.47Å; T318-I321 PolarHBondContact O-N 3.34Å; T318-N322 VanDerWaalsContact O-CB 3.26Å; T318-N322 WeakPolarHBondContact O-CB 3.33Å; T318-N322 PolarHBondContact O-N 3.33Å; T318-N322 PolarHBondContact O-ND2 2.93Å
319F81.5Confident77.7Confident109 Ų10964.1 Ų64.148%0.47830%0.301SS..Hα-helixtrans-57.2-51.2176.3173.5-93.4000111.9D315 L316 A317 N322 F323D315-F319 WeakPolarHBondContact O-CB 3.36Å; D315-F319 PolarHBondContact O-N 3.44Å; L316-F319 PolarHBondContact O-N 2.92Å; A317-F319 VanDerWaalsContact C-N 3.34Å; A317-F319 PolarHBondContact O-N 2.9Å; F319-N322 PolarHBondContact O-N 2.73Å; F319-F323 WeakPolarHBondContact O-CB 3.44Å; F319-F323 PolarHBondContact O-N 2.89Å
320W74.6Confident76.9Confident80 Ų8063.1 Ų63.130%0.30330%0.298SS..Hα-helixtrans-67.3-41-177.6-82.3111.8000112.4I129 L316 A317 T318 F323 L324I129-W320 HydrophobicContact CD1-CB 3.91Å; I129-W320 HydrophobicContact CD1-CD2 3.44Å; I129-W320 VanDerWaalsContact CD1-CD2 3.44Å; I129-W320 HydrophobicContact CD1-CE3 3.42Å; I129-W320 VanDerWaalsContact CD1-CE3 3.42Å; I129-W320 HydrophobicContact CD1-CG 3.68Å; I129-W320 HydrophobicContact CD1-CZ3 4.09Å; I129-W320 HydrophobicContact CG1-CD2 4.01Å; I129-W320 HydrophobicContact CG1-CE3 4.27Å; I129-W320 HydrophobicContact CG1-CG 4.27Å; I129-W320 HydrophobicContact CG2-CB 4.33Å; I129-W320 VanDerWaalsContact CG2-CD1 3.42Å; I129-W320 HydrophobicContact CG2-CD2 4.21Å; I129-W320 HydrophobicContact CG2-CG 3.75Å; L316-W320 VanDerWaalsContact O-CD1 3.24Å; L316-W320 PolarHBondContact O-N 2.78Å; L316-W320 VanDerWaalsContact O-N 3.1Å; A317-W320 PolarHBondContact O-N 3.24Å; T318-W320 PolarHBondContact O-N 3.47Å; W320-F323 HydrophobicContact CE3-CD1 4.03Å; W320-F323 HydrophobicContact CE3-CG 4.49Å; W320-F323 HydrophobicContact CZ3-CD1 4.03Å; W320-F323 HydrophobicContact CZ3-CE1 4.25Å; W320-F323 WeakPolarHBondContact O-CB 3.33Å; W320-F323 PolarHBondContact O-N 3.23Å; W320-L324 WeakPolarHBondContact O-CG 3.34Å; W320-L324 PolarHBondContact O-N 3.25Å
321I73.2Confident75.5Confident5 Ų553.7 Ų53.73%0.02626%0.258CS..Hα-helixtrans-59.7-49.7173.6-69.8164.9000110.2L4 L8 L53 V74 I97 A317 T318 F323 L324 L325L4-I321 HydrophobicContact CD1-CD1 4.04Å; L4-I321 HydrophobicContact CD2-CD1 4.05Å; L4-I321 HydrophobicContact CG-CD1 4.35Å; L8-I321 HydrophobicContact CD1-CD1 3.77Å; L8-I321 HydrophobicContact CD1-CG2 4.34Å; L8-I321 HydrophobicContact CD2-CB 3.84Å; L8-I321 HydrophobicContact CD2-CD1 4.22Å; L8-I321 HydrophobicContact CD2-CG2 3.45Å; L8-I321 VanDerWaalsContact CD2-CG2 3.45Å; L53-I321 HydrophobicContact CD1-CG2 4.29Å; L53-I321 HydrophobicContact CD2-CD1 4.46Å; L53-I321 HydrophobicContact CD2-CG2 3.9Å; V74-I321 HydrophobicContact CG2-CD1 4.05Å; I97-I321 HydrophobicContact CD1-CB 4.19Å; I97-I321 HydrophobicContact CD1-CD1 4.45Å; I97-I321 HydrophobicContact CD1-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CB 3.34Å; A317-I321 WeakPolarHBondContact O-CD1 3.46Å; A317-I321 VanDerWaalsContact O-CG1 3.24Å; A317-I321 WeakPolarHBondContact O-CG1 3.1Å; A317-I321 PolarHBondContact O-N 3.1Å; T318-I321 PolarHBondContact O-N 3.34Å; I321-F323 VanDerWaalsContact C-N 3.27Å; I321-F323 PolarHBondContact O-N 3.21Å; I321-L324 PolarHBondContact O-N 3.15Å; I321-L324 VanDerWaalsContact O-N 3.15Å; I321-L325 HydrophobicContact CG2-CD1 3.85Å; I321-L325 HydrophobicContact CG2-CG 4.35Å; I321-L325 WeakPolarHBondContact O-CG 3.37Å; I321-L325 PolarHBondContact O-N 3.24Å
322N77.5Confident74.1Confident20 Ų2054.5 Ų54.511%0.10727%0.265CS..Hα-helixtrans-59.8-39.4177.2-72.5-16.6000111.8S11 H13 T318 F319 L325 R326S11-N322 PolarHBondContact OG-ND2 3.01Å; S11-N322 VanDerWaalsContact OG-ND2 3.09Å; H13-N322 PolarHBondContact CD2-OD1 2.84Å; H13-N322 PolarHBondContact NE2-OD1 3.14Å; T318-N322 VanDerWaalsContact O-CB 3.26Å; T318-N322 WeakPolarHBondContact O-CB 3.33Å; T318-N322 PolarHBondContact O-N 3.33Å; T318-N322 PolarHBondContact O-ND2 2.93Å; F319-N322 PolarHBondContact O-N 2.73Å; N322-L325 PolarHBondContact O-N 2.93Å; N322-R326 WeakPolarHBondContact O-CG 3.27Å; N322-R326 PolarHBondContact O-N 3.12Å
323F75.2Confident73.1Confident56 Ų5658 Ų5825%0.24628%0.277CS..Hα-helixtrans-62.2-45.3175.4177.1-90.6000111.7F319 W320 I321 R326 H327 V330F319-F323 WeakPolarHBondContact O-CB 3.44Å; F319-F323 PolarHBondContact O-N 2.89Å; W320-F323 HydrophobicContact CE3-CD1 4.03Å; W320-F323 HydrophobicContact CE3-CG 4.49Å; W320-F323 HydrophobicContact CZ3-CD1 4.03Å; W320-F323 HydrophobicContact CZ3-CE1 4.25Å; W320-F323 WeakPolarHBondContact O-CB 3.33Å; W320-F323 PolarHBondContact O-N 3.23Å; I321-F323 VanDerWaalsContact C-N 3.27Å; I321-F323 PolarHBondContact O-N 3.21Å; F323-R326 PolarHBondContact O-N 2.93Å; F323-H327 AromaticContact CD2-CD2 3.55Å; F323-H327 AromaticContact CE2-CD2 3.4Å; F323-H327 VanDerWaalsContact CE2-CD2 3.4Å; F323-H327 WeakPolarHBondContact CE2-CD2 3.42Å; F323-H327 AromaticContact CE2-NE2 3.84Å; F323-H327 AromaticContact CZ-CD2 3.8Å; F323-H327 WeakPolarHBondContact O-CB 3.4Å; F323-H327 PolarHBondContact O-CD2 3.45Å; F323-H327 VanDerWaalsContact O-CD2 3.26Å; F323-H327 PolarHBondContact O-N 3.32Å; F323-V330 HydrophobicContact CE1-CG1 4.38Å
324L70.8Confident72.5Confident8 Ų864.9 Ų64.94%0.04231%0.306CS..Hα-helixtrans-66.5-37.6177.7-65.8-167.8000112.7I97 W320 I321 R326 H327 K328 V331 L335I97-L324 HydrophobicContact CD1-CD1 3.53Å; I97-L324 HydrophobicContact CD1-CG 4.36Å; I97-L324 HydrophobicContact CG1-CD1 3.32Å; W320-L324 WeakPolarHBondContact O-CG 3.34Å; W320-L324 PolarHBondContact O-N 3.25Å; I321-L324 PolarHBondContact O-N 3.15Å; I321-L324 VanDerWaalsContact O-N 3.15Å; L324-R326 VanDerWaalsContact C-N 3.35Å; L324-H327 CarbonylContact O-C 3.58Å; L324-H327 PolarHBondContact O-N 3.31Å; L324-K328 PolarHBondContact O-N 3.31Å; L324-V331 HydrophobicContact CB-CG2 4.43Å; L324-V331 HydrophobicContact CD1-CG2 4Å; L324-V331 HydrophobicContact CD2-CG2 3.4Å; L324-V331 VanDerWaalsContact CD2-CG2 3.4Å; L324-V331 HydrophobicContact CG-CG2 4.14Å; L324-L335 HydrophobicContact CD2-CD1 4.12Å
325L72.6Confident71.5Confident21 Ų2165.6 Ų65.611%0.1131%0.309CS..Hα-helixtrans-65.5-37175.8-69.4173.2000112H13 Y72 I321 N322 K328H13-L325 VanDerWaalsContact CE1-CD1 3.44Å; H13-L325 WeakPolarHBondContact CE1-CD1 3.3Å; Y72-L325 HydrophobicContact CD2-CD2 3.38Å; Y72-L325 HydrophobicContact CE2-CD2 4Å; Y72-L325 HydrophobicContact CG-CD2 3.85Å; I321-L325 HydrophobicContact CG2-CD1 3.85Å; I321-L325 HydrophobicContact CG2-CG 4.35Å; I321-L325 WeakPolarHBondContact O-CG 3.37Å; I321-L325 PolarHBondContact O-N 3.24Å; N322-L325 PolarHBondContact O-N 2.93Å; L325-K328 WeakPolarHBondContact O-CE 3.47Å; L325-K328 WeakPolarHBondContact O-CG 3.1Å
326R79.7Confident70.4Confident144 Ų14465.2 Ų65.254%0.54330%0.3SS..Hα-helixtrans-71.3-34.9173.3-72.6-172.9-59.3-93.80113N322 F323 L324N322-R326 WeakPolarHBondContact O-CG 3.27Å; N322-R326 PolarHBondContact O-N 3.12Å; F323-R326 PolarHBondContact O-N 2.93Å; L324-R326 VanDerWaalsContact C-N 3.35Å
327H73.4Confident69.7Low83 Ų8366.8 Ų66.838%0.38431%0.307SS..  trans-11958.5-172.2-58.4-68.7000112.3F323 L324 N329 V330F323-H327 AromaticContact CD2-CD2 3.55Å; F323-H327 AromaticContact CE2-CD2 3.4Å; F323-H327 VanDerWaalsContact CE2-CD2 3.4Å; F323-H327 WeakPolarHBondContact CE2-CD2 3.42Å; F323-H327 AromaticContact CE2-NE2 3.84Å; F323-H327 AromaticContact CZ-CD2 3.8Å; F323-H327 WeakPolarHBondContact O-CB 3.4Å; F323-H327 PolarHBondContact O-CD2 3.45Å; F323-H327 VanDerWaalsContact O-CD2 3.26Å; F323-H327 PolarHBondContact O-N 3.32Å; L324-H327 CarbonylContact O-C 3.58Å; L324-H327 PolarHBondContact O-N 3.31Å; H327-N329 PolarHBondContact O-N 2.95Å; H327-V330 HydrophobicContact CB-CB 4.14Å; H327-V330 HydrophobicContact CB-CG2 3.67Å; H327-V330 WeakPolarHBondContact O-CB 3.46Å; H327-V330 PolarHBondContact O-N 3.28Å
328K68.2Low69.4Low124 Ų12475 Ų7554%0.53934%0.341SS..Hα-helixtrans-51.1-36.6-170.5-62.1-169.5178.9-178.90115.1Y72 L324 L325Y72-K328 HydrophobicContact CE2-CD 4.05Å; Y72-K328 HydrophobicContact CE2-CG 3.96Å; Y72-K328 WeakPolarHBondContact OH-CA 3.06Å; Y72-K328 WeakPolarHBondContact OH-CB 3.43Å; Y72-K328 VanDerWaalsContact OH-CG 3.3Å; Y72-K328 WeakPolarHBondContact OH-CG 3.08Å; Y72-K328 PolarHBondContact OH-O 3.26Å; L324-K328 PolarHBondContact O-N 3.31Å; L325-K328 WeakPolarHBondContact O-CE 3.47Å; L325-K328 WeakPolarHBondContact O-CG 3.1Å
329N68.4Low68.7Low109 Ų10976.2 Ų76.258%0.58336%0.355SS*.Hα-helixtrans-80.7-13.5-178.4-66.3-32.8000114.5H327 V331 T332 K333H327-N329 PolarHBondContact O-N 2.95Å; N329-V331 VanDerWaalsContact C-N 3.32Å; N329-T332 PolarHBondContact O-OG1 2.83Å; N329-T332 VanDerWaalsContact O-OG1 3.08Å; N329-K333 VanDerWaalsContact O-CB 3.31Å; N329-K333 WeakPolarHBondContact O-CB 3.48Å; N329-K333 WeakPolarHBondContact O-CG 3.42Å; N329-K333 PolarHBondContact O-N 3.33Å; N329-K333 VanDerWaalsContact O-N 3.1Å
330V65.8Low67.8Low36 Ų3673.3 Ų73.322%0.21834%0.343CS..Hα-helixtrans-67-38.8-177166.60000110.8F323 H327 K333 F334 L335F323-V330 HydrophobicContact CE1-CG1 4.38Å; H327-V330 HydrophobicContact CB-CB 4.14Å; H327-V330 HydrophobicContact CB-CG2 3.67Å; H327-V330 WeakPolarHBondContact O-CB 3.46Å; H327-V330 PolarHBondContact O-N 3.28Å; V330-K333 PolarHBondContact O-N 3.01Å; V330-F334 HydrophobicContact CB-CD2 4.44Å; V330-F334 HydrophobicContact CG1-CB 4.46Å; V330-F334 HydrophobicContact CG1-CD2 4.29Å; V330-F334 HydrophobicContact CG2-CD2 4.36Å; V330-F334 WeakPolarHBondContact O-CA 3.39Å; V330-F334 WeakPolarHBondContact O-CB 3.31Å; V330-F334 PolarHBondContact O-N 2.94Å; V330-L335 HydrophobicContact CG1-CD1 4.4Å; V330-L335 HydrophobicContact CG1-CG 4.23Å; V330-L335 PolarHBondContact O-N 3.4Å
331V57.5Low67.5Low8 Ų874.6 Ų74.65%0.04836%0.356CS..Iπ-helixtrans-62.3-52.2-179.5-170.30000110.8L95 L324 N329 K333 L335 R336L95-V331 HydrophobicContact CB-CB 4.44Å; L95-V331 HydrophobicContact CB-CG1 3.23Å; L95-V331 HydrophobicContact CD2-CG1 3.59Å; L95-V331 HydrophobicContact CG-CG1 3.94Å; L324-V331 HydrophobicContact CB-CG2 4.43Å; L324-V331 HydrophobicContact CD1-CG2 4Å; L324-V331 HydrophobicContact CD2-CG2 3.4Å; L324-V331 VanDerWaalsContact CD2-CG2 3.4Å; L324-V331 HydrophobicContact CG-CG2 4.14Å; N329-V331 VanDerWaalsContact C-N 3.32Å; V331-K333 VanDerWaalsContact C-N 3.32Å; V331-K333 PolarHBondContact O-N 2.98Å; V331-L335 HydrophobicContact CG2-CD1 4.39Å; V331-L335 PolarHBondContact O-N 3.03Å; V331-R336 WeakPolarHBondContact O-CB 3.39Å; V331-R336 PolarHBondContact O-N 3.3Å
332T56.5Low67.2Low80 Ų8078.5 Ų78.549%0.49138%0.377SS..Iπ-helixtrans-67.8-30-177.652.40000113.3N329N329-T332 PolarHBondContact O-OG1 2.83Å; N329-T332 VanDerWaalsContact O-OG1 3.08Å
333K65Low67.2Low150 Ų15082.4 Ų82.465%0.65240%0.397SS*.Iπ-helixtrans-95-35.3-175.6-70.1-173.9177.4-174.80114.4N329 V330 V331N329-K333 VanDerWaalsContact O-CB 3.31Å; N329-K333 WeakPolarHBondContact O-CB 3.48Å; N329-K333 WeakPolarHBondContact O-CG 3.42Å; N329-K333 PolarHBondContact O-N 3.33Å; N329-K333 VanDerWaalsContact O-N 3.1Å; V330-K333 PolarHBondContact O-N 3.01Å; V331-K333 VanDerWaalsContact C-N 3.32Å; V331-K333 PolarHBondContact O-N 2.98Å
334F66Low67Low157 Ų15784.7 Ų84.769%0.68941%0.412SS*.Iπ-helixtrans-123.1-34.7-168-60.6-72000114.4V330V330-F334 HydrophobicContact CB-CD2 4.44Å; V330-F334 HydrophobicContact CG1-CB 4.46Å; V330-F334 HydrophobicContact CG1-CD2 4.29Å; V330-F334 HydrophobicContact CG2-CD2 4.36Å; V330-F334 WeakPolarHBondContact O-CA 3.39Å; V330-F334 WeakPolarHBondContact O-CB 3.31Å; V330-F334 PolarHBondContact O-N 2.94Å
335L59.1Low67.4Low33 Ų3388.8 Ų88.817%0.17343%0.433CS..Iπ-helixtrans-87.7-33.2-177.1-59.1-177000112.3N126 E127 L324 V330 V331 Q337N126-L335 HydrophobicContact CB-CD2 4.21Å; E127-L335 HydrophobicContact CB-CB 4.49Å; E127-L335 VanDerWaalsContact CB-O 3.27Å; E127-L335 WeakPolarHBondContact CB-O 3.38Å; E127-L335 HydrophobicContact CG-CB 4.27Å; E127-L335 WeakPolarHBondContact CG-O 3.48Å; L324-L335 HydrophobicContact CD2-CD1 4.12Å; V330-L335 HydrophobicContact CG1-CD1 4.4Å; V330-L335 HydrophobicContact CG1-CG 4.23Å; V330-L335 PolarHBondContact O-N 3.4Å; V331-L335 HydrophobicContact CG2-CD1 4.39Å; V331-L335 PolarHBondContact O-N 3.03Å; L335-Q337 PolarHBondContact O-N 2.9Å
336R64.3Low67.7Low87 Ų8789 Ų8933%0.32844%0.438SS..SBendtrans-58.4125.7-178.2-169.3175-170.1-142.4-12.6112.1L95 V331 K338 E340 D341L95-R336 HydrophobicContact CD1-CB 4.24Å; L95-R336 HydrophobicContact CD1-CG 3.87Å; L95-R336 HydrophobicContact CD2-CB 3.89Å; L95-R336 HydrophobicContact CD2-CG 3.97Å; V331-R336 WeakPolarHBondContact O-CB 3.39Å; V331-R336 PolarHBondContact O-N 3.3Å; R336-K338 PolarHBondContact O-N 3.31Å; R336-E340 IonicContact CZ-OE2 3.03Å; R336-E340 IonicContact NE-OE2 2.83Å; R336-E340 PolarHBondContact NE-OE2 3.36Å; R336-E340 IonicContact NH2-OE2 3.07Å; R336-D341 IonicContact CZ-OD1 3.15Å; R336-D341 IonicContact NH1-OD1 2.81Å; R336-D341 PolarHBondContact NH1-OD1 2.87Å; R336-D341 IonicContact NH1-OD2 3.75Å; R336-D341 IonicContact NH2-OD1 2.88Å; R336-D341 PolarHBondContact NH2-OD1 3.26Å
337Q62.1Low67.2Low72 Ų7285.5 Ų85.534%0.33643%0.428SS..  trans-67.4127.7173.5-68.9-170.5-34.400111.8S125 E127 L335 G339 E340S125-Q337 PolarHBondContact OG-NE2 3.37Å; E127-Q337 PolarHBondContact OE2-N 3.08Å; L335-Q337 PolarHBondContact O-N 2.9Å; Q337-G339 PolarHBondContact O-N 3.01Å; Q337-E340 HydrophobicContact CB-CG 4.48Å; Q337-E340 WeakPolarHBondContact O-CB 3.03Å; Q337-E340 PolarHBondContact O-N 2.8Å
338K67.4Low67.4Low183 Ų18386 Ų8680%0.79643%0.434SS*.G310 helixtrans-57.5-24.2174.7-68.5-172.9176.4-177.50113.7R336 E340 D341R336-K338 PolarHBondContact O-N 3.31Å; K338-E340 PolarHBondContact O-N 3.11Å; K338-D341 PolarHBondContact O-N 3.01Å
339G64.7Low68.2Low36 Ų3684.3 Ų84.337%0.37143%0.431SS..G310 helixtrans-60.3-26.7174.900000113.3Q337 D341 L342Q337-G339 PolarHBondContact O-N 3.01Å; G339-D341 VanDerWaalsContact C-N 3.26Å; G339-D341 PolarHBondContact O-N 3.31Å; G339-L342 WeakPolarHBondContact O-CB 3.44Å; G339-L342 PolarHBondContact O-N 2.9Å
340E62.8Low69.2Low48 Ų4881.4 Ų81.422%0.22442%0.419CS..G310 helixtrans-69.7-20.8177.4-65.2-163.9148.600113.6R98 R336 Q337 K338R98-E340 IonicContact CZ-OE1 3.88Å; R98-E340 IonicContact NH1-OE1 3.79Å; R98-E340 PolarHBondContact NH1-OE1 3.35Å; R98-E340 IonicContact NH2-OE1 3.85Å; R336-E340 IonicContact CZ-OE2 3.03Å; R336-E340 IonicContact NE-OE2 2.83Å; R336-E340 PolarHBondContact NE-OE2 3.36Å; R336-E340 IonicContact NH2-OE2 3.07Å; Q337-E340 HydrophobicContact CB-CG 4.48Å; Q337-E340 WeakPolarHBondContact O-CB 3.03Å; Q337-E340 PolarHBondContact O-N 2.8Å; K338-E340 PolarHBondContact O-N 3.11Å
341D67.2Low70.4Confident107 Ų10783 Ų8357%0.57243%0.427SS*.G310 helixtrans-90.7-5.5177.4-63.1-42.3000112.2R336 K338 G339R336-D341 IonicContact CZ-OD1 3.15Å; R336-D341 IonicContact NH1-OD1 2.81Å; R336-D341 PolarHBondContact NH1-OD1 2.87Å; R336-D341 IonicContact NH1-OD2 3.75Å; R336-D341 IonicContact NH2-OD1 2.88Å; R336-D341 PolarHBondContact NH2-OD1 3.26Å; K338-D341 PolarHBondContact O-N 3.01Å; G339-D341 VanDerWaalsContact C-N 3.26Å; G339-D341 PolarHBondContact O-N 3.31Å
342L67.7Low72.1Confident87 Ų8785.4 Ų85.446%0.45544%0.441SS..SBendtrans-75.8138177.4-61.8179.7000110.7G339 A346 M347G339-L342 WeakPolarHBondContact O-CB 3.44Å; G339-L342 PolarHBondContact O-N 2.9Å; L342-A346 HydrophobicContact CB-CB 4.32Å; L342-A346 HydrophobicContact CD2-CB 4.17Å; L342-M347 HydrophobicContact CB-CB 4.07Å
343N76.7Confident74Confident101 Ų10188.5 Ų88.554%0.5445%0.448SS..  trans-71166.6167.666.631.9000110.8I345 A346 M347N343-I345 PolarHBondContact O-N 3.09Å; N343-I345 VanDerWaalsContact O-N 3.09Å; N343-I345 WeakPolarHBondContact OD1-CB 3.4Å; N343-I345 PolarHBondContact OD1-N 3.09Å; N343-I345 VanDerWaalsContact OD1-N 3.09Å; N343-A346 PolarHBondContact O-N 3.38Å; N343-A346 PolarHBondContact OD1-N 3.18Å; N343-M347 VanDerWaalsContact O-CB 3.27Å; N343-M347 WeakPolarHBondContact O-CB 3.37Å; N343-M347 PolarHBondContact O-N 3.07Å
344N71.4Confident75.4Confident104 Ų10487.1 Ų87.156%0.55645%0.447SS*.Hα-helixtrans-60.8-21.7-179.1-71.6-24000114.1M347 N348N344-M347 WeakPolarHBondContact OD1-CE 3.27Å; N344-N348 WeakPolarHBondContact O-CB 3.44Å; N344-N348 PolarHBondContact O-N 3.27Å; N344-N348 PolarHBondContact O-ND2 3.42Å
345I78.1Confident76.8Confident94 Ų9485.2 Ų85.248%0.48244%0.439SS..Hα-helixtrans-73.7-51.7179.4-58.1174.5000109.2N343 N349 S350 D351N343-I345 PolarHBondContact O-N 3.09Å; N343-I345 VanDerWaalsContact O-N 3.09Å; N343-I345 WeakPolarHBondContact OD1-CB 3.4Å; N343-I345 PolarHBondContact OD1-N 3.09Å; N343-I345 VanDerWaalsContact OD1-N 3.09Å; I345-N349 PolarHBondContact O-N 3.26Å; I345-S350 WeakPolarHBondContact O-CB 3.5Å; I345-S350 PolarHBondContact O-N 2.89Å; I345-D351 HydrophobicContact CG2-CB 3.96Å
346A79Confident78.6Confident25 Ų2589.3 Ų89.321%0.20746%0.455CS..Hα-helixtrans-71.6-42.1178.300000112.1L342 N343 N348 N349L342-A346 HydrophobicContact CB-CB 4.32Å; L342-A346 HydrophobicContact CD2-CB 4.17Å; N343-A346 PolarHBondContact O-N 3.38Å; N343-A346 PolarHBondContact OD1-N 3.18Å; A346-N348 VanDerWaalsContact C-N 3.3Å; A346-N348 PolarHBondContact O-N 2.81Å; A346-N349 PolarHBondContact O-N 2.85Å
347M71Confident80.2Confident71 Ų7187.9 Ų87.935%0.3546%0.462SS..Hα-helixtrans-60.8-38.4-178.3-174.8176.364.700112.4L342 N343 N344 N349L342-M347 HydrophobicContact CB-CB 4.07Å; N343-M347 VanDerWaalsContact O-CB 3.27Å; N343-M347 WeakPolarHBondContact O-CB 3.37Å; N343-M347 PolarHBondContact O-N 3.07Å; N344-M347 WeakPolarHBondContact OD1-CE 3.27Å; M347-N349 VanDerWaalsContact C-N 3.32Å
348N77.7Confident81.8Confident94 Ų9486.7 Ų86.750%0.50346%0.462SS..THydrogen-bonded Turntrans-91.69.4177.3-62.4-46.1000113.1N344 A346 S350N344-N348 WeakPolarHBondContact O-CB 3.44Å; N344-N348 PolarHBondContact O-N 3.27Å; N344-N348 PolarHBondContact O-ND2 3.42Å; A346-N348 VanDerWaalsContact C-N 3.3Å; A346-N348 PolarHBondContact O-N 2.81Å; N348-S350 PolarHBondContact O-N 3.34Å; N348-S350 VanDerWaalsContact O-N 3.11Å
349N84Confident83.2Confident89 Ų8981.5 Ų81.548%0.47644%0.442SS..THydrogen-bonded Turntrans52.628.8-175.6-62.8-81.8000113.6I345 A346 M347 D351 V352 F353I345-N349 PolarHBondContact O-N 3.26Å; A346-N349 PolarHBondContact O-N 2.85Å; M347-N349 VanDerWaalsContact C-N 3.32Å; N349-D351 VanDerWaalsContact C-N 3.29Å; N349-D351 VanDerWaalsContact C-OD1 3.28Å; N349-D351 WeakPolarHBondContact CA-OD1 3.44Å; N349-D351 PolarHBondContact O-N 3.46Å; N349-V352 HydrophobicContact CB-CB 4.17Å; N349-V352 HydrophobicContact CB-CG2 4.13Å; N349-V352 WeakPolarHBondContact O-CB 3.35Å; N349-V352 PolarHBondContact O-N 3.1Å; N349-F353 HydrophobicContact CB-CE2 4.36Å; N349-F353 WeakPolarHBondContact O-CD2 3.5Å; N349-F353 PolarHBondContact O-N 3.38Å; N349-F353 VanDerWaalsContact O-N 3.08Å
350S89Confident84.7Confident47 Ų4788.9 Ų88.933%0.32946%0.459SS..Hα-helixtrans-65.9-35179.7-60.90000111.5I345 N348 V352 F353 L354I345-S350 WeakPolarHBondContact O-CB 3.5Å; I345-S350 PolarHBondContact O-N 2.89Å; N348-S350 PolarHBondContact O-N 3.34Å; N348-S350 VanDerWaalsContact O-N 3.11Å; S350-V352 VanDerWaalsContact C-N 3.35Å; S350-F353 PolarHBondContact O-N 3.36Å; S350-L354 WeakPolarHBondContact O-CB 3.43Å; S350-L354 WeakPolarHBondContact O-CG 3.41Å; S350-L354 PolarHBondContact O-N 3.17Å
351D90.9Very high86.3Confident71 Ų7191.8 Ų91.838%0.3848%0.475SS..Hα-helixtrans-57-44.1169.252.7-10.9000112.5I345 N349 L354 F355I345-D351 HydrophobicContact CG2-CB 3.96Å; N349-D351 VanDerWaalsContact C-N 3.29Å; N349-D351 VanDerWaalsContact C-OD1 3.28Å; N349-D351 WeakPolarHBondContact CA-OD1 3.44Å; N349-D351 PolarHBondContact O-N 3.46Å; D351-L354 PolarHBondContact O-N 3.46Å; D351-F355 WeakPolarHBondContact O-CB 3.39Å; D351-F355 PolarHBondContact O-N 2.92Å
352V94.1Very high87.7Confident58 Ų5892 Ų9235%0.35247%0.474SS..Hα-helixtrans-63.6-45.1176.6-179.20000111N349 S350 F355 F356N349-V352 HydrophobicContact CB-CB 4.17Å; N349-V352 HydrophobicContact CB-CG2 4.13Å; N349-V352 WeakPolarHBondContact O-CB 3.35Å; N349-V352 PolarHBondContact O-N 3.1Å; S350-V352 VanDerWaalsContact C-N 3.35Å; V352-F355 WeakPolarHBondContact O-CB 3.2Å; V352-F355 PolarHBondContact O-N 3.48Å; V352-F356 HydrophobicContact CG1-CD2 3.81Å; V352-F356 HydrophobicContact CG1-CE2 3.5Å; V352-F356 VanDerWaalsContact CG1-CE2 3.5Å; V352-F356 WeakPolarHBondContact O-CD2 3.37Å; V352-F356 PolarHBondContact O-N 2.88Å
353F95.6Very high89Confident145 Ų14592.7 Ų92.764%0.63648%0.475SS*.Hα-helixtrans-64.9-40.8176.7-68.7-63.4000112.4N349 S350 F355 F356 A357N349-F353 HydrophobicContact CB-CE2 4.36Å; N349-F353 WeakPolarHBondContact O-CD2 3.5Å; N349-F353 PolarHBondContact O-N 3.38Å; N349-F353 VanDerWaalsContact O-N 3.08Å; S350-F353 PolarHBondContact O-N 3.36Å; F353-F355 VanDerWaalsContact C-N 3.32Å; F353-F355 PolarHBondContact O-N 3.08Å; F353-F356 PolarHBondContact O-N 3.04Å; F353-A357 WeakPolarHBondContact O-CB 3.18Å; F353-A357 PolarHBondContact O-N 3.33Å
354L94.6Very high89.9Confident120 Ų12090.5 Ų90.563%0.62847%0.471SS*.Hα-helixtrans-63.9-37.6175.7-73.3169.3000111.8S350 D351 A357 S358S350-L354 WeakPolarHBondContact O-CB 3.43Å; S350-L354 WeakPolarHBondContact O-CG 3.41Å; S350-L354 PolarHBondContact O-N 3.17Å; D351-L354 PolarHBondContact O-N 3.46Å; L354-A357 PolarHBondContact O-N 3.41Å; L354-S358 WeakPolarHBondContact O-CB 3.39Å; L354-S358 PolarHBondContact O-N 2.89Å; L354-S358 PolarHBondContact O-OG 3.34Å
355F96.2Very high91Very high118 Ų11890.2 Ų90.252%0.51847%0.469SS..Hα-helixtrans-63.6-46.4173.9176.3-102.3000112.2D351 V352 F353 A357 S358 L359D351-F355 WeakPolarHBondContact O-CB 3.39Å; D351-F355 PolarHBondContact O-N 2.92Å; V352-F355 WeakPolarHBondContact O-CB 3.2Å; V352-F355 PolarHBondContact O-N 3.48Å; F353-F355 VanDerWaalsContact C-N 3.32Å; F353-F355 PolarHBondContact O-N 3.08Å; F355-A357 VanDerWaalsContact C-N 3.33Å; F355-A357 PolarHBondContact O-N 3.09Å; F355-S358 PolarHBondContact O-N 3.5Å; F355-S358 PolarHBondContact O-OG 3.31Å; F355-L359 HydrophobicContact CD1-CD1 4.09Å; F355-L359 HydrophobicContact CE1-CD1 3.5Å; F355-L359 HydrophobicContact CE1-CG 4.35Å; F355-L359 HydrophobicContact CE2-CD1 4.45Å; F355-L359 HydrophobicContact CZ-CD1 3.72Å; F355-L359 HydrophobicContact CZ-CG 4.24Å; F355-L359 WeakPolarHBondContact O-CG 3.43Å; F355-L359 PolarHBondContact O-N 2.94Å; F355-L359 VanDerWaalsContact O-N 3.09Å
356F97.1Very high91.8Very high119 Ų11992.5 Ų92.552%0.52247%0.473SS..Hα-helixtrans-67.2-34.5176-74.2-61.9000112.7V352 F353 L359 R360V352-F356 HydrophobicContact CG1-CD2 3.81Å; V352-F356 HydrophobicContact CG1-CE2 3.5Å; V352-F356 VanDerWaalsContact CG1-CE2 3.5Å; V352-F356 WeakPolarHBondContact O-CD2 3.37Å; V352-F356 PolarHBondContact O-N 2.88Å; F353-F356 PolarHBondContact O-N 3.04Å; F356-L359 HydrophobicContact CD1-CD1 4.34Å; F356-R360 WeakPolarHBondContact O-CG 3.44Å; F356-R360 PolarHBondContact O-N 3.46Å; F356-R360 VanDerWaalsContact O-N 3.09Å
357A96.8Very high92.4Very high57 Ų5795.6 Ų95.647%0.47148%0.482SS..Hα-helixtrans-65.4-40.5174.500000112F353 L354 F355 R360 L361F353-A357 WeakPolarHBondContact O-CB 3.18Å; F353-A357 PolarHBondContact O-N 3.33Å; L354-A357 PolarHBondContact O-N 3.41Å; F355-A357 VanDerWaalsContact C-N 3.33Å; F355-A357 PolarHBondContact O-N 3.09Å; A357-R360 PolarHBondContact O-N 2.9Å; A357-L361 WeakPolarHBondContact O-CB 3.31Å; A357-L361 PolarHBondContact O-N 3.39Å
358S96.2Very high93.4Very high47 Ų4794.5 Ų94.533%0.32949%0.485SS..Hα-helixtrans-68.7-37.517873.30000112.3L354 F355 L361 M362L354-S358 WeakPolarHBondContact O-CB 3.39Å; L354-S358 PolarHBondContact O-N 2.89Å; L354-S358 PolarHBondContact O-OG 3.34Å; F355-S358 PolarHBondContact O-N 3.5Å; F355-S358 PolarHBondContact O-OG 3.31Å; S358-L361 PolarHBondContact O-N 3.08Å; S358-M362 WeakPolarHBondContact O-CG 3.49Å; S358-M362 PolarHBondContact O-N 3.36Å
359L96.7Very high94Very high74 Ų7496.3 Ų96.339%0.38749%0.49SS..Hα-helixtrans-61.2-43171.3-73.4175.8000112F355 F356 L361 M362 H363F355-L359 HydrophobicContact CD1-CD1 4.09Å; F355-L359 HydrophobicContact CE1-CD1 3.5Å; F355-L359 HydrophobicContact CE1-CG 4.35Å; F355-L359 HydrophobicContact CE2-CD1 4.45Å; F355-L359 HydrophobicContact CZ-CD1 3.72Å; F355-L359 HydrophobicContact CZ-CG 4.24Å; F355-L359 WeakPolarHBondContact O-CG 3.43Å; F355-L359 PolarHBondContact O-N 2.94Å; F355-L359 VanDerWaalsContact O-N 3.09Å; F356-L359 HydrophobicContact CD1-CD1 4.34Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L359-M362 HydrophobicContact CD2-CE 3.98Å; L359-M362 PolarHBondContact O-N 3.45Å; L359-H363 WeakPolarHBondContact O-CB 3.39Å; L359-H363 PolarHBondContact O-N 2.86Å
360R95.8Very high94.3Very high190 Ų19095.5 Ų95.572%0.71749%0.486SS*.Hα-helixtrans-63.7-40.7175.7-75.2-66.3-165165.93.1112F356 A357 H363 A364F356-R360 WeakPolarHBondContact O-CG 3.44Å; F356-R360 PolarHBondContact O-N 3.46Å; F356-R360 VanDerWaalsContact O-N 3.09Å; A357-R360 PolarHBondContact O-N 2.9Å; R360-H363 PolarHBondContact O-N 3.14Å; R360-A364 WeakPolarHBondContact O-CB 3.48Å; R360-A364 PolarHBondContact O-N 2.97Å
361L96.4Very high94.3Very high110 Ų110100.4 Ų100.458%0.57650%0.501SS*.Hα-helixtrans-64.8-47.8176-178.461.8000111.4A357 S358 L359 H363 A364 L365A357-L361 WeakPolarHBondContact O-CB 3.31Å; A357-L361 PolarHBondContact O-N 3.39Å; S358-L361 PolarHBondContact O-N 3.08Å; L359-L361 VanDerWaalsContact C-N 3.35Å; L361-H363 VanDerWaalsContact C-N 3.31Å; L361-H363 PolarHBondContact O-N 3.28Å; L361-A364 PolarHBondContact O-N 2.88Å; L361-A364 VanDerWaalsContact O-N 3.14Å; L361-L365 HydrophobicContact CD1-CD1 4.45Å; L361-L365 HydrophobicContact CD1-CG 4.36Å; L361-L365 HydrophobicContact CG-CD1 4.16Å; L361-L365 HydrophobicContact CG-CG 4.49Å; L361-L365 VanDerWaalsContact O-CG 3.31Å; L361-L365 WeakPolarHBondContact O-CG 3.48Å; L361-L365 PolarHBondContact O-N 3.09Å
362M96Very high94.1Very high111 Ų111102.1 Ų102.155%0.54751%0.51SS..Hα-helixtrans-58.8-42.6176.4-78.2-170.4-80.400112S358 L359 L365 Y366S358-M362 WeakPolarHBondContact O-CG 3.49Å; S358-M362 PolarHBondContact O-N 3.36Å; L359-M362 HydrophobicContact CD2-CE 3.98Å; L359-M362 PolarHBondContact O-N 3.45Å; M362-L365 PolarHBondContact O-N 2.93Å; M362-Y366 WeakPolarHBondContact O-CB 3.33Å; M362-Y366 PolarHBondContact O-N 2.91Å
363H95.5Very high93.8Very high101 Ų101101.8 Ų101.847%0.46851%0.51SS..Hα-helixtrans-63.2-42.1175.5-175.1-108.3000111.9L359 R360 L361 Y366 H367L359-H363 WeakPolarHBondContact O-CB 3.39Å; L359-H363 PolarHBondContact O-N 2.86Å; R360-H363 PolarHBondContact O-N 3.14Å; L361-H363 VanDerWaalsContact C-N 3.31Å; L361-H363 PolarHBondContact O-N 3.28Å; H363-Y366 PolarHBondContact O-N 3.38Å; H363-H367 AromaticContact CD2-CD2 3.8Å; H363-H367 AromaticContact CD2-NE2 3.65Å; H363-H367 AromaticContact CE1-CD2 3.28Å; H363-H367 PolarHBondContact CE1-CD2 2.97Å; H363-H367 AromaticContact CE1-NE2 3.08Å; H363-H367 PolarHBondContact CE1-NE2 3.49Å; H363-H367 AromaticContact CG-CD2 3.91Å; H363-H367 AromaticContact ND1-CD2 3.58Å; H363-H367 AromaticContact ND1-NE2 3.85Å; H363-H367 AromaticContact NE2-CD2 3.42Å; H363-H367 PolarHBondContact NE2-CD2 3.43Å; H363-H367 AromaticContact NE2-NE2 2.9Å; H363-H367 PolarHBondContact NE2-NE2 3.17Å; H363-H367 PolarHBondContact O-CD2 2.97Å; H363-H367 PolarHBondContact O-N 2.92Å
364A95.4Very high93.4Very high56 Ų5698.8 Ų98.846%0.46350%0.5SS..Hα-helixtrans-63.7-41.3176.100000112.3R360 L361 H367 A368R360-A364 WeakPolarHBondContact O-CB 3.48Å; R360-A364 PolarHBondContact O-N 2.97Å; L361-A364 PolarHBondContact O-N 2.88Å; L361-A364 VanDerWaalsContact O-N 3.14Å; A364-H367 PolarHBondContact O-N 3.3Å; A364-A368 WeakPolarHBondContact O-CB 3.48Å; A364-A368 PolarHBondContact O-N 2.93Å
365L95.3Very high92.9Very high97 Ų9795 Ų9551%0.50849%0.487SS..Hα-helixtrans-63.8-44.2175.7-68.5173.6000111.5L361 M362 H367 A368 E369L361-L365 HydrophobicContact CD1-CD1 4.45Å; L361-L365 HydrophobicContact CD1-CG 4.36Å; L361-L365 HydrophobicContact CG-CD1 4.16Å; L361-L365 HydrophobicContact CG-CG 4.49Å; L361-L365 VanDerWaalsContact O-CG 3.31Å; L361-L365 WeakPolarHBondContact O-CG 3.48Å; L361-L365 PolarHBondContact O-N 3.09Å; M362-L365 PolarHBondContact O-N 2.93Å; L365-H367 PolarHBondContact O-N 3.3Å; L365-A368 WeakPolarHBondContact O-CB 3.48Å; L365-A368 PolarHBondContact O-N 3.42Å; L365-E369 PolarHBondContact O-N 2.9Å
366Y94.9Very high92.4Very high143 Ų14394.7 Ų94.756%0.56149%0.49SS*.Hα-helixtrans-59.1-44.2175.3176.2-100000112.5M362 H363 E369 L370M362-Y366 WeakPolarHBondContact O-CB 3.33Å; M362-Y366 PolarHBondContact O-N 2.91Å; H363-Y366 PolarHBondContact O-N 3.38Å; Y366-E369 PolarHBondContact O-N 2.91Å; Y366-L370 WeakPolarHBondContact O-CB 3.29Å; Y366-L370 PolarHBondContact O-N 3.44Å
367H92.1Very high91.8Very high89 Ų8995.3 Ų95.341%0.41249%0.493SS..Hα-helixtrans-67.8-34.2175.7-81-69.5000112.9H363 A364 L365 F371H363-H367 AromaticContact CD2-CD2 3.8Å; H363-H367 AromaticContact CD2-NE2 3.65Å; H363-H367 AromaticContact CE1-CD2 3.28Å; H363-H367 PolarHBondContact CE1-CD2 2.97Å; H363-H367 AromaticContact CE1-NE2 3.08Å; H363-H367 PolarHBondContact CE1-NE2 3.49Å; H363-H367 AromaticContact CG-CD2 3.91Å; H363-H367 AromaticContact ND1-CD2 3.58Å; H363-H367 AromaticContact ND1-NE2 3.85Å; H363-H367 AromaticContact NE2-CD2 3.42Å; H363-H367 PolarHBondContact NE2-CD2 3.43Å; H363-H367 AromaticContact NE2-NE2 2.9Å; H363-H367 PolarHBondContact NE2-NE2 3.17Å; H363-H367 PolarHBondContact O-CD2 2.97Å; H363-H367 PolarHBondContact O-N 2.92Å; A364-H367 PolarHBondContact O-N 3.3Å; L365-H367 PolarHBondContact O-N 3.3Å; H367-F371 VanDerWaalsContact O-CB 3.29Å; H367-F371 WeakPolarHBondContact O-CB 3.4Å; H367-F371 PolarHBondContact O-N 3.17Å
368A91.7Very high91.3Very high48 Ų4895.5 Ų95.540%0.39749%0.494SS..Hα-helixtrans-65.4-44.5174.600000111.6A364 L365 F371 L372A364-A368 WeakPolarHBondContact O-CB 3.48Å; A364-A368 PolarHBondContact O-N 2.93Å; L365-A368 WeakPolarHBondContact O-CB 3.48Å; L365-A368 PolarHBondContact O-N 3.42Å; A368-F371 PolarHBondContact O-N 3.03Å; A368-L372 WeakPolarHBondContact O-CG 3.42Å; A368-L372 PolarHBondContact O-N 3.4Å
369E90.7Very high90.8Very high133 Ų13399.9 Ų99.962%0.62151%0.508SS*.Hα-helixtrans-62.9-43.7174.7-74.9-179-179.900112.1L365 Y366 F371 L372 S373L365-E369 PolarHBondContact O-N 2.9Å; Y366-E369 PolarHBondContact O-N 2.91Å; E369-F371 VanDerWaalsContact C-N 3.3Å; E369-F371 PolarHBondContact O-N 2.86Å; E369-L372 PolarHBondContact O-N 3.14Å; E369-S373 WeakPolarHBondContact O-CB 3.47Å; E369-S373 PolarHBondContact O-N 3.31Å
370L90Very high90.2Very high72 Ų7298.1 Ų98.138%0.37750%0.504SS..Hα-helixtrans-62-39.8176.3-171.368.7000111.4Y366 N374Y366-L370 WeakPolarHBondContact O-CB 3.29Å; Y366-L370 PolarHBondContact O-N 3.44Å; L370-N374 WeakPolarHBondContact O-CB 3.39Å; L370-N374 VanDerWaalsContact O-CG 3.24Å; L370-N374 PolarHBondContact O-N 3.02Å; L370-N374 PolarHBondContact O-ND2 3.2Å; L370-N374 VanDerWaalsContact O-ND2 3.17Å
371F88.6Confident89.7Confident150 Ų15091 Ų9166%0.65849%0.486SS*.Hα-helixtrans-64.3-46.3175.6-178.8-97000111.9H367 A368 E369 N374 A375H367-F371 VanDerWaalsContact O-CB 3.29Å; H367-F371 WeakPolarHBondContact O-CB 3.4Å; H367-F371 PolarHBondContact O-N 3.17Å; A368-F371 PolarHBondContact O-N 3.03Å; E369-F371 VanDerWaalsContact C-N 3.3Å; E369-F371 PolarHBondContact O-N 2.86Å; F371-N374 PolarHBondContact O-N 2.89Å; F371-A375 WeakPolarHBondContact O-CB 3.37Å; F371-A375 PolarHBondContact O-N 3.31Å
372L86.9Confident89.3Confident107 Ų10793 Ų9356%0.5649%0.49SS*.Hα-helixtrans-62-45.9176.8-70.5172000111.5A368 E369 N374 A375 D376A368-L372 WeakPolarHBondContact O-CG 3.42Å; A368-L372 PolarHBondContact O-N 3.4Å; E369-L372 PolarHBondContact O-N 3.14Å; L372-N374 VanDerWaalsContact C-N 3.31Å; L372-N374 PolarHBondContact O-N 3.35Å; L372-A375 WeakPolarHBondContact O-CB 3.49Å; L372-A375 PolarHBondContact O-N 3.42Å; L372-A375 VanDerWaalsContact O-N 3.14Å; L372-D376 PolarHBondContact O-N 3.12Å
373S87Confident88.8Confident50 Ų5092.1 Ų92.135%0.3549%0.487SS..Hα-helixtrans-60.2-39.7176.5-173.90000112.5E369 K377E369-S373 WeakPolarHBondContact O-CB 3.47Å; E369-S373 PolarHBondContact O-N 3.31Å; S373-K377 WeakPolarHBondContact O-CG 3.47Å; S373-K377 PolarHBondContact O-N 2.86Å; S373-K377 VanDerWaalsContact O-N 3.14Å
374N87Confident88.3Confident82 Ų8296.3 Ų96.344%0.43950%0.498SS..Hα-helixtrans-71.2-35.4176-73.8-27.5000112.4L370 F371 L372 K377 A378L370-N374 WeakPolarHBondContact O-CB 3.39Å; L370-N374 VanDerWaalsContact O-CG 3.24Å; L370-N374 PolarHBondContact O-N 3.02Å; L370-N374 PolarHBondContact O-ND2 3.2Å; L370-N374 VanDerWaalsContact O-ND2 3.17Å; F371-N374 PolarHBondContact O-N 2.89Å; L372-N374 VanDerWaalsContact C-N 3.31Å; L372-N374 PolarHBondContact O-N 3.35Å; N374-K377 PolarHBondContact O-N 3.49Å; N374-A378 WeakPolarHBondContact O-CB 3.4Å; N374-A378 PolarHBondContact O-N 2.86Å
375A85Confident87.8Confident41 Ų41102.1 Ų102.134%0.33951%0.508SS..Hα-helixtrans-64.8-42.9174.300000111.7F371 L372 A378 F379F371-A375 WeakPolarHBondContact O-CB 3.37Å; F371-A375 PolarHBondContact O-N 3.31Å; L372-A375 WeakPolarHBondContact O-CB 3.49Å; L372-A375 PolarHBondContact O-N 3.42Å; L372-A375 VanDerWaalsContact O-N 3.14Å; A375-A378 WeakPolarHBondContact O-CB 3.5Å; A375-A378 PolarHBondContact O-N 3.17Å; A375-F379 WeakPolarHBondContact O-CB 3.37Å; A375-F379 PolarHBondContact O-N 3.32Å
376D85.3Confident87.4Confident111 Ų111100.8 Ų100.859%0.59451%0.505SS*.Hα-helixtrans-62.2-43.9175.9-73.7-19.9000111.7L372 A378 F379 A380L372-D376 PolarHBondContact O-N 3.12Å; D376-A378 VanDerWaalsContact C-N 3.34Å; D376-A378 PolarHBondContact O-N 2.97Å; D376-F379 PolarHBondContact O-N 2.84Å; D376-A380 WeakPolarHBondContact O-CB 3.46Å; D376-A380 PolarHBondContact O-N 3.48Å
377K85.8Confident87Confident132 Ų13298.2 Ų98.257%0.57450%0.499SS*.Hα-helixtrans-61.3-42173.9-72.7171.2-172.1167.10111.7S373 N374 A380 A381S373-K377 WeakPolarHBondContact O-CG 3.47Å; S373-K377 PolarHBondContact O-N 2.86Å; S373-K377 VanDerWaalsContact O-N 3.14Å; N374-K377 PolarHBondContact O-N 3.49Å; K377-A380 PolarHBondContact O-N 3.47Å; K377-A381 WeakPolarHBondContact O-CB 3.42Å; K377-A381 PolarHBondContact O-N 2.89Å
378A84.8Confident86.7Confident61 Ų61101 Ų10150%0.50451%0.511SS..Hα-helixtrans-65.4-41177.200000112N374 A375 D376 A381 K382N374-A378 WeakPolarHBondContact O-CB 3.4Å; N374-A378 PolarHBondContact O-N 2.86Å; A375-A378 WeakPolarHBondContact O-CB 3.5Å; A375-A378 PolarHBondContact O-N 3.17Å; D376-A378 VanDerWaalsContact C-N 3.34Å; D376-A378 PolarHBondContact O-N 2.97Å; A378-A381 PolarHBondContact O-N 3.37Å; A378-K382 WeakPolarHBondContact O-CB 3.39Å; A378-K382 PolarHBondContact O-N 2.95Å
379F86.6Confident86.4Confident139 Ų139107.2 Ų107.261%0.6152%0.524SS*.Hα-helixtrans-63.6-48.5175-177.8-99.3000111.4A375 D376 A381 K382 L383A375-F379 WeakPolarHBondContact O-CB 3.37Å; A375-F379 PolarHBondContact O-N 3.32Å; D376-F379 PolarHBondContact O-N 2.84Å; F379-A381 VanDerWaalsContact C-N 3.31Å; F379-A381 PolarHBondContact O-N 3.43Å; F379-K382 WeakPolarHBondContact O-CB 3.48Å; F379-K382 PolarHBondContact O-N 3.45Å; F379-K382 VanDerWaalsContact O-N 3.12Å; F379-L383 PolarHBondContact O-N 3.14Å
380A84.4Confident86.2Confident37 Ų37104.6 Ų104.631%0.30652%0.519SS..Hα-helixtrans-59.3-40.8176.400000112D376 K377 L383 R384D376-A380 WeakPolarHBondContact O-CB 3.46Å; D376-A380 PolarHBondContact O-N 3.48Å; K377-A380 PolarHBondContact O-N 3.47Å; A380-L383 PolarHBondContact O-N 2.93Å; A380-R384 WeakPolarHBondContact O-CG 3.33Å; A380-R384 PolarHBondContact O-N 3.03Å
381A84.5Confident85.9Confident41 Ų41107 Ų10734%0.33953%0.528SS..Hα-helixtrans-63.9-4117500000112.2K377 A378 F379 R384 R385K377-A381 WeakPolarHBondContact O-CB 3.42Å; K377-A381 PolarHBondContact O-N 2.89Å; A378-A381 PolarHBondContact O-N 3.37Å; F379-A381 VanDerWaalsContact C-N 3.31Å; F379-A381 PolarHBondContact O-N 3.43Å; A381-R384 PolarHBondContact O-N 2.88Å; A381-R385 WeakPolarHBondContact O-CG 3.39Å; A381-R385 PolarHBondContact O-N 3.46Å
382K87.7Confident85.7Confident153 Ų153102.8 Ų102.867%0.66552%0.515SS*.Hα-helixtrans-66-40.3176.1-167.1175-176.8179.80111.7A378 F379 R385 T386A378-K382 WeakPolarHBondContact O-CB 3.39Å; A378-K382 PolarHBondContact O-N 2.95Å; F379-K382 WeakPolarHBondContact O-CB 3.48Å; F379-K382 PolarHBondContact O-N 3.45Å; F379-K382 VanDerWaalsContact O-N 3.12Å; K382-R385 PolarHBondContact O-N 3.08Å; K382-T386 PolarHBondContact O-N 2.78Å; K382-T386 PolarHBondContact O-OG1 3.49Å
383L86.5Confident85.6Confident91 Ų91104.9 Ų104.948%0.47652%0.519SS..Hα-helixtrans-63.7-46.8176-166.871.9000111.1F379 A380 R385 T386 I387F379-L383 PolarHBondContact O-N 3.14Å; A380-L383 PolarHBondContact O-N 2.93Å; L383-R385 PolarHBondContact O-N 3.21Å; L383-T386 WeakPolarHBondContact O-CB 3.37Å; L383-T386 PolarHBondContact O-N 3.42Å; L383-T386 VanDerWaalsContact O-N 3.08Å; L383-I387 HydrophobicContact CG-CD1 4.08Å; L383-I387 WeakPolarHBondContact O-CG1 3.41Å; L383-I387 PolarHBondContact O-N 2.95Å
384R85.2Confident85.5Confident189 Ų189110.7 Ų110.771%0.71353%0.534SS*.Hα-helixtrans-58.2-44.3174.8-73.3-178.8-162.7-173.65.1112.3A380 A381 T386 I387 F388A380-R384 WeakPolarHBondContact O-CG 3.33Å; A380-R384 PolarHBondContact O-N 3.03Å; A381-R384 PolarHBondContact O-N 2.88Å; R384-T386 VanDerWaalsContact C-N 3.28Å; R384-T386 PolarHBondContact O-N 3Å; R384-I387 PolarHBondContact O-N 3.4Å; R384-F388 VanDerWaalsContact O-CB 3.31Å; R384-F388 WeakPolarHBondContact O-CB 3.35Å; R384-F388 PolarHBondContact O-N 3.47Å
385R84.8Confident85.2Confident178 Ų178115.8 Ų115.867%0.67255%0.547SS*.Hα-helixtrans-61.7-36.3175.1-73180-165.2177.85.2112.3A381 K382 L383 R389A381-R385 WeakPolarHBondContact O-CG 3.39Å; A381-R385 PolarHBondContact O-N 3.46Å; K382-R385 PolarHBondContact O-N 3.08Å; L383-R385 PolarHBondContact O-N 3.21Å; R385-R389 WeakPolarHBondContact O-CG 3.48Å; R385-R389 PolarHBondContact O-N 3.42Å
386T86.6Confident85.2Confident70 Ų70119.5 Ų119.543%0.42956%0.557SS.*Hα-helixtrans-71.4-46.8179.4-53.30000111.2K382 L383 R384 F388 R389 C390K382-T386 PolarHBondContact O-N 2.78Å; K382-T386 PolarHBondContact O-OG1 3.49Å; L383-T386 WeakPolarHBondContact O-CB 3.37Å; L383-T386 PolarHBondContact O-N 3.42Å; L383-T386 VanDerWaalsContact O-N 3.08Å; R384-T386 VanDerWaalsContact C-N 3.28Å; R384-T386 PolarHBondContact O-N 3Å; T386-F388 VanDerWaalsContact C-N 3.31Å; T386-F388 PolarHBondContact O-N 3.4Å; T386-R389 PolarHBondContact O-N 3.4Å; T386-C390 PolarHBondContact O-N 3.03Å; T386-C390 PolarHBondContact O-SG 3.16Å
387I85.9Confident85.1Confident88 Ų88120.9 Ų120.945%0.45156%0.558SS.*Hα-helixtrans-58.8-44.3174.3-68.1169000110.4L383 R384 R389 C390 H391L383-I387 HydrophobicContact CG-CD1 4.08Å; L383-I387 WeakPolarHBondContact O-CG1 3.41Å; L383-I387 PolarHBondContact O-N 2.95Å; R384-I387 PolarHBondContact O-N 3.4Å; I387-R389 PolarHBondContact O-N 2.92Å; I387-C390 PolarHBondContact O-N 3.21Å; I387-H391 PolarHBondContact O-CD2 2.94Å; I387-H391 PolarHBondContact O-N 2.68Å
388F85.9Confident85.1Confident148 Ų148118 Ų11865%0.64955%0.549SS*.Hα-helixtrans-60.2-44176.6-172-95.1000112.3R384 T386 H391 T392R384-F388 VanDerWaalsContact O-CB 3.31Å; R384-F388 WeakPolarHBondContact O-CB 3.35Å; R384-F388 PolarHBondContact O-N 3.47Å; T386-F388 VanDerWaalsContact C-N 3.31Å; T386-F388 PolarHBondContact O-N 3.4Å; F388-H391 PolarHBondContact O-N 3.46Å; F388-T392 HydrophobicContact CE1-CG2 4.32Å; F388-T392 PolarHBondContact O-N 3.01Å; F388-T392 PolarHBondContact O-OG1 2.98Å
389R86.1Confident85Confident179 Ų179119.8 Ų119.868%0.67555%0.55SS**Hα-helixtrans-62.2-38.9173.9-78.6-179.9-174.81770.7112.9R385 T386 I387 T392 K393R385-R389 WeakPolarHBondContact O-CG 3.48Å; R385-R389 PolarHBondContact O-N 3.42Å; T386-R389 PolarHBondContact O-N 3.4Å; I387-R389 PolarHBondContact O-N 2.92Å; R389-T392 VanDerWaalsContact CA-OG1 3.28Å; R389-T392 WeakPolarHBondContact CA-OG1 3.28Å; R389-T392 PolarHBondContact O-OG1 3.36Å; R389-K393 WeakPolarHBondContact O-CB 3.31Å; R389-K393 PolarHBondContact O-N 3.44Å
390C84.9Confident84.9Confident77 Ų77118.5 Ų118.552%0.5255%0.547SS..Hα-helixtrans-66.7-42.4176-72.10000111.8T386 I387 K393 R394T386-C390 PolarHBondContact O-N 3.03Å; T386-C390 PolarHBondContact O-SG 3.16Å; I387-C390 PolarHBondContact O-N 3.21Å; C390-K393 PolarHBondContact O-N 2.91Å; C390-R394 WeakPolarHBondContact O-CB 3.49Å; C390-R394 PolarHBondContact O-N 2.85Å
391H84.8Confident84.7Confident124 Ų124124.8 Ų124.857%0.57456%0.563SS**Hα-helixtrans-65.3-39.4176-88.6-73.1000112.9I387 F388 R394 R395I387-H391 PolarHBondContact O-CD2 2.94Å; I387-H391 PolarHBondContact O-N 2.68Å; F388-H391 PolarHBondContact O-N 3.46Å; H391-R394 PolarHBondContact O-N 2.89Å; H391-R395 PolarHBondContact O-N 2.94Å
392T84.5Confident84.5Confident60 Ų60127.5 Ų127.537%0.36857%0.571SS.*Hα-helixtrans-64.7-47.5174.820.80000111.3F388 R389 R394 R395 E396F388-T392 HydrophobicContact CE1-CG2 4.32Å; F388-T392 PolarHBondContact O-N 3.01Å; F388-T392 PolarHBondContact O-OG1 2.98Å; R389-T392 VanDerWaalsContact CA-OG1 3.28Å; R389-T392 WeakPolarHBondContact CA-OG1 3.28Å; R389-T392 PolarHBondContact O-OG1 3.36Å; T392-R394 VanDerWaalsContact C-N 3.32Å; T392-R394 PolarHBondContact O-N 3.29Å; T392-R395 WeakPolarHBondContact O-CB 3.44Å; T392-R395 PolarHBondContact O-N 3.18Å; T392-E396 WeakPolarHBondContact O-CG 3.49Å; T392-E396 PolarHBondContact O-N 2.93Å
393K84Confident84Confident152 Ų152127.5 Ų127.566%0.66157%0.571SS**Hα-helixtrans-59.4-39.9174-81.8-169.9173.8-171.60113R389 C390 E396 F397R389-K393 WeakPolarHBondContact O-CB 3.31Å; R389-K393 PolarHBondContact O-N 3.44Å; C390-K393 PolarHBondContact O-N 2.91Å; K393-E396 PolarHBondContact O-N 3.49Å; K393-F397 WeakPolarHBondContact O-CB 3.46Å; K393-F397 PolarHBondContact O-N 2.93Å
394R84.5Confident83.6Confident171 Ų171130.6 Ų130.665%0.64558%0.581SS**Hα-helixtrans-64.4-43.3177-172.3170.2-178.9171.91.3111.4C390 H391 T392 E396 F397 D398C390-R394 WeakPolarHBondContact O-CB 3.49Å; C390-R394 PolarHBondContact O-N 2.85Å; H391-R394 PolarHBondContact O-N 2.89Å; T392-R394 VanDerWaalsContact C-N 3.32Å; T392-R394 PolarHBondContact O-N 3.29Å; R394-E396 PolarHBondContact O-N 3.5Å; R394-F397 WeakPolarHBondContact O-CB 3.5Å; R394-F397 PolarHBondContact O-N 3.21Å; R394-D398 PolarHBondContact O-N 2.88Å
395R82.5Confident83.1Confident190 Ų190127.5 Ų127.572%0.71758%0.577SS**Hα-helixtrans-60.7-42.1173.3-110.3-179.2174179.4-1.6112.6H391 T392 F397 N399H391-R395 PolarHBondContact O-N 2.94Å; T392-R395 WeakPolarHBondContact O-CB 3.44Å; T392-R395 PolarHBondContact O-N 3.18Å; R395-F397 VanDerWaalsContact C-N 3.31Å; R395-F397 PolarHBondContact O-N 2.97Å; R395-N399 VanDerWaalsContact O-CB 3.29Å; R395-N399 WeakPolarHBondContact O-CB 3.45Å; R395-N399 VanDerWaalsContact O-CG 3.23Å; R395-N399 PolarHBondContact O-N 3.5Å; R395-N399 PolarHBondContact O-ND2 3.34Å
396E83.9Confident82.6Confident119 Ų119124 Ų12456%0.55658%0.576SS**Hα-helixtrans-61.2-41.4173.8-73.6175168.400111.6T392 K393 R394 N399 M400T392-E396 WeakPolarHBondContact O-CG 3.49Å; T392-E396 PolarHBondContact O-N 2.93Å; K393-E396 PolarHBondContact O-N 3.49Å; R394-E396 PolarHBondContact O-N 3.5Å; E396-N399 PolarHBondContact O-N 3.49Å; E396-M400 WeakPolarHBondContact O-CG 3.42Å; E396-M400 PolarHBondContact O-N 3.35Å
397F83.8Confident81.6Confident140 Ų140128.5 Ų128.561%0.61459%0.592SS**Hα-helixtrans-67.5-44.5178.3-146.8-85.8000112.6K393 R394 R395 M400 R401K393-F397 WeakPolarHBondContact O-CB 3.46Å; K393-F397 PolarHBondContact O-N 2.93Å; R394-F397 WeakPolarHBondContact O-CB 3.5Å; R394-F397 PolarHBondContact O-N 3.21Å; R395-F397 VanDerWaalsContact C-N 3.31Å; R395-F397 PolarHBondContact O-N 2.97Å; F397-M400 HydrophobicContact CD2-CE 4.39Å; F397-M400 PolarHBondContact O-N 3.38Å; F397-R401 WeakPolarHBondContact O-CB 3.35Å; F397-R401 PolarHBondContact O-N 3.42Å
398D84.7Confident80.1Confident70 Ų70134 Ų13437%0.37462%0.622SS.*Hα-helixtrans-64-41.3176.1-69.5-27000110.7R394 M400 R401 I402R394-D398 PolarHBondContact O-N 2.88Å; D398-M400 PolarHBondContact O-N 3.37Å; D398-R401 WeakPolarHBondContact O-CB 3.5Å; D398-R401 PolarHBondContact O-N 3.01Å; D398-I402 VanDerWaalsContact O-CG1 3.32Å; D398-I402 WeakPolarHBondContact O-CG1 3.49Å; D398-I402 PolarHBondContact O-N 3.49Å
399N84.1Confident79.8Confident100 Ų100133.3 Ų133.354%0.53562%0.621SS.*Hα-helixtrans-63.6-39.6174-77.4-14.4000112.7R395 E396 R401 K403R395-N399 VanDerWaalsContact O-CB 3.29Å; R395-N399 WeakPolarHBondContact O-CB 3.45Å; R395-N399 VanDerWaalsContact O-CG 3.23Å; R395-N399 PolarHBondContact O-N 3.5Å; R395-N399 PolarHBondContact O-ND2 3.34Å; E396-N399 PolarHBondContact O-N 3.49Å; N399-R401 VanDerWaalsContact C-N 3.33Å; N399-K403 WeakPolarHBondContact O-CB 3.29Å; N399-K403 PolarHBondContact O-N 2.96Å
400M82.8Confident79.4Confident112 Ų112130.8 Ų130.855%0.55262%0.618SS**Hα-helixtrans-64.6-38.3172.5-82.2-171.9-78.900112E396 F397 D398 K403 K404E396-M400 WeakPolarHBondContact O-CG 3.42Å; E396-M400 PolarHBondContact O-N 3.35Å; F397-M400 HydrophobicContact CD2-CE 4.39Å; F397-M400 PolarHBondContact O-N 3.38Å; D398-M400 PolarHBondContact O-N 3.37Å; M400-K403 PolarHBondContact O-N 3.03Å; M400-K404 PolarHBondContact O-N 2.86Å
401R81.6Confident79.1Confident169 Ų169133.8 Ų133.864%0.63862%0.623SS**Hα-helixtrans-67.9-42.9178.1-165.8176.7-177.2174.30.7111.8F397 D398 N399 K404 L405F397-R401 WeakPolarHBondContact O-CB 3.35Å; F397-R401 PolarHBondContact O-N 3.42Å; D398-R401 WeakPolarHBondContact O-CB 3.5Å; D398-R401 PolarHBondContact O-N 3.01Å; N399-R401 VanDerWaalsContact C-N 3.33Å; R401-K404 PolarHBondContact O-N 3.18Å; R401-L405 PolarHBondContact O-N 3.3Å
402I79.7Confident78.8Confident98 Ų98134.4 Ų134.450%0.50363%0.626SS.*Hα-helixtrans-62.9-46.8174.2-67.3166.8000110.1D398 K404 L405 T406D398-I402 VanDerWaalsContact O-CG1 3.32Å; D398-I402 WeakPolarHBondContact O-CG1 3.49Å; D398-I402 PolarHBondContact O-N 3.49Å; I402-K404 VanDerWaalsContact C-N 3.28Å; I402-K404 PolarHBondContact O-N 3.49Å; I402-L405 PolarHBondContact O-N 3.27Å; I402-T406 PolarHBondContact O-N 2.98Å; I402-T406 PolarHBondContact O-OG1 3.47Å; I402-T406 VanDerWaalsContact O-OG1 3.11Å
403K77.9Confident78.4Confident152 Ų152139.1 Ų139.166%0.66164%0.642SS**Hα-helixtrans-55.8-41.2175.4-89.2-173.8173.5-1770112.9N399 M400 T406 Q407N399-K403 WeakPolarHBondContact O-CB 3.29Å; N399-K403 PolarHBondContact O-N 2.96Å; M400-K403 PolarHBondContact O-N 3.03Å; K403-T406 WeakPolarHBondContact CA-OG1 3.32Å; K403-T406 PolarHBondContact O-N 3.11Å; K403-T406 PolarHBondContact O-OG1 2.98Å; K403-Q407 PolarHBondContact O-N 3.06Å
404K76.9Confident78.1Confident157 Ų157138.2 Ų138.268%0.68364%0.641SS**Hα-helixtrans-64.7-41174.9-93.6-173.7173.9-176.40112.7M400 R401 I402 T406 Q407M400-K404 PolarHBondContact O-N 2.86Å; R401-K404 PolarHBondContact O-N 3.18Å; I402-K404 VanDerWaalsContact C-N 3.28Å; I402-K404 PolarHBondContact O-N 3.49Å; K404-T406 VanDerWaalsContact C-N 3.32Å; K404-T406 PolarHBondContact O-N 3.47Å; K404-Q407 PolarHBondContact O-N 2.92Å
405L75Confident77.6Confident123 Ų123135.9 Ų135.964%0.64464%0.641SS**Hα-helixtrans-69.5-28178.6-76.2165.8000113.1R401 I402R401-L405 PolarHBondContact O-N 3.3Å; I402-L405 PolarHBondContact O-N 3.27Å
406T75.3Confident77.2Confident104 Ų104131.7 Ų131.764%0.63864%0.635SS**THydrogen-bonded Turntrans-85.6-8.8175.950.10000114.3I402 K403 K404I402-T406 PolarHBondContact O-N 2.98Å; I402-T406 PolarHBondContact O-OG1 3.47Å; I402-T406 VanDerWaalsContact O-OG1 3.11Å; K403-T406 WeakPolarHBondContact CA-OG1 3.32Å; K403-T406 PolarHBondContact O-N 3.11Å; K403-T406 PolarHBondContact O-OG1 2.98Å; K404-T406 VanDerWaalsContact C-N 3.32Å; K404-T406 PolarHBondContact O-N 3.47Å
407Q64.3Low76.7Confident166 Ų166132.8 Ų132.878%0.77664%0.641SS**THydrogen-bonded Turntrans-93.6-13.5176.1-84.8-175.8-28.300113.5K403 K404K403-Q407 PolarHBondContact O-N 3.06Å; K404-Q407 PolarHBondContact O-N 2.92Å
408N54.3Low76Confident202 Ų202132.1 Ų132.1100%1.0864%0.644SS**  trans-96.10166.5-76.9-6.9000109.3

Retrieved 408 of 408 residues in 217.1 ms (Link to these results)

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