A0A077Z5G9_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077Z5G9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54Low56.1Low202 Ų202126 Ų126100%0.99564%0.643SS**  0-53.70-77.6-157.4-76.700113.7A3 E4 T5M1-A3 PolarHBondContact O-N 3.47Å; M1-E4 PolarHBondContact O-N 2.72Å; M1-T5 PolarHBondContact O-N 3.45Å; M1-T5 PolarHBondContact O-OG1 2.99Å
2L48.9Very low55.9Low153 Ų153124.1 Ų124.180%0.80163%0.634SS**Hα-helixtrans-56.9-39-178.1-86.7151.9000115T5 V6L2-T5 PolarHBondContact O-N 3.35Å; L2-V6 WeakPolarHBondContact O-CG2 3.4Å; L2-V6 PolarHBondContact O-N 3.15Å
3A51Low55.8Low81 Ų81124.2 Ų124.267%0.66963%0.631SS**Hα-helixtrans-66.6-38.7-177.700000114.1M1 F7M1-A3 PolarHBondContact O-N 3.47Å; A3-F7 PolarHBondContact O-N 3.1Å
4E52.8Low55.3Low139 Ų139119.1 Ų119.165%0.6561%0.612SS**Hα-helixtrans-70.3-34.5178.2-80.2-175.7128.800112.6M1 F7 R8M1-E4 PolarHBondContact O-N 2.72Å; E4-F7 PolarHBondContact O-N 2.95Å; E4-R8 PolarHBondContact O-N 3.04Å; E4-R8 VanDerWaalsContact O-N 3.07Å
5T60.1Low54.8Low88 Ų88116.9 Ų116.954%0.5460%0.601SS.*Hα-helixtrans-67.4-38.3178.4-44.20000111.5M1 L2 R9M1-T5 PolarHBondContact O-N 3.45Å; M1-T5 PolarHBondContact O-OG1 2.99Å; L2-T5 PolarHBondContact O-N 3.35Å; T5-R9 PolarHBondContact O-N 2.86Å
6V61.5Low54Low100 Ų100120.8 Ų120.861%0.60661%0.606SS**Hα-helixtrans-67.4-43.3176.4176.50000110.9L2 R9 A10L2-V6 WeakPolarHBondContact O-CG2 3.4Å; L2-V6 PolarHBondContact O-N 3.15Å; V6-R9 PolarHBondContact O-N 3.11Å; V6-A10 PolarHBondContact O-N 3.47Å
7F51.3Low53.2Low150 Ų150124.8 Ų124.866%0.65861%0.612SS**Hα-helixtrans-63.6-44.4179.1-165.2-97.6000112.2A3 E4 R9 A10 T11A3-F7 PolarHBondContact O-N 3.1Å; E4-F7 PolarHBondContact O-N 2.95Å; F7-R9 VanDerWaalsContact C-N 3.35Å; F7-R9 PolarHBondContact O-N 2.74Å; F7-A10 PolarHBondContact O-N 3.5Å; F7-T11 PolarHBondContact O-N 2.64Å; F7-T11 PolarHBondContact O-OG1 3.2Å
8R55.6Low52.4Low183 Ų183127.3 Ų127.369%0.69162%0.619SS**Hα-helixtrans-63.3-37.2176.7-76.7-174.3179.8-172.12113E4 L12E4-R8 PolarHBondContact O-N 3.04Å; E4-R8 VanDerWaalsContact O-N 3.07Å; R8-L12 WeakPolarHBondContact O-CB 3.46Å; R8-L12 PolarHBondContact O-N 3.17Å; R8-L12 VanDerWaalsContact O-N 3.09Å
9R58.3Low52Low181 Ų181128.2 Ų128.268%0.68363%0.627SS**Hα-helixtrans-65.2-45.6174.1-96.4-174.8174.9179.5-1.1111.9T5 V6 F7 T11 L12 E13T5-R9 PolarHBondContact O-N 2.86Å; V6-R9 PolarHBondContact O-N 3.11Å; F7-R9 VanDerWaalsContact C-N 3.35Å; F7-R9 PolarHBondContact O-N 2.74Å; R9-T11 VanDerWaalsContact C-N 3.33Å; R9-T11 PolarHBondContact O-N 3.01Å; R9-L12 PolarHBondContact O-N 2.9Å; R9-E13 WeakPolarHBondContact O-CB 3.24Å; R9-E13 WeakPolarHBondContact O-CG 3.34Å; R9-E13 PolarHBondContact O-N 2.94Å
10A58.5Low51.5Low53 Ų53126.6 Ų126.644%0.43863%0.629SS.*Hα-helixtrans-61.9-39.4178.400000112.4V6 F7 S14V6-A10 PolarHBondContact O-N 3.47Å; F7-A10 PolarHBondContact O-N 3.5Å; A10-S14 WeakPolarHBondContact O-CB 3.39Å; A10-S14 PolarHBondContact O-N 2.82Å
11T64.9Low51.1Low56 Ų56128.1 Ų128.134%0.34463%0.632SS.*Hα-helixtrans-70.2-42.3178.9-46.40000111.7F7 R9 S14 L15F7-T11 PolarHBondContact O-N 2.64Å; F7-T11 PolarHBondContact O-OG1 3.2Å; R9-T11 VanDerWaalsContact C-N 3.33Å; R9-T11 PolarHBondContact O-N 3.01Å; T11-S14 PolarHBondContact O-N 3.25Å; T11-S14 PolarHBondContact O-OG 3.19Å; T11-S14 VanDerWaalsContact O-OG 3.07Å; T11-L15 HydrophobicContact CG2-CD1 4.15Å; T11-L15 WeakPolarHBondContact O-CB 3.28Å; T11-L15 PolarHBondContact O-N 3.31Å
12L54Low51.2Low103 Ų103123.2 Ų123.254%0.53962%0.617SS.*Hα-helixtrans-67-38.1174.8-87.4161.9000112.5R8 R9 R16R8-L12 WeakPolarHBondContact O-CB 3.46Å; R8-L12 PolarHBondContact O-N 3.17Å; R8-L12 VanDerWaalsContact O-N 3.09Å; R9-L12 PolarHBondContact O-N 2.9Å; L12-R16 VanDerWaalsContact O-CB 3.23Å; L12-R16 WeakPolarHBondContact O-CB 3.41Å; L12-R16 VanDerWaalsContact O-CG 3.24Å; L12-R16 WeakPolarHBondContact O-CG 3.42Å; L12-R16 PolarHBondContact O-N 2.98Å
13E54.3Low51.8Low126 Ų126122.6 Ų122.659%0.58961%0.608SS**Hα-helixtrans-68.6-37.7173.6-78.9-179.9179.500111.7R9 R16 R17R9-E13 WeakPolarHBondContact O-CB 3.24Å; R9-E13 WeakPolarHBondContact O-CG 3.34Å; R9-E13 PolarHBondContact O-N 2.94Å; E13-R16 CarbonylContact O-C 3.57Å; E13-R16 PolarHBondContact O-N 3.02Å; E13-R17 VanDerWaalsContact O-CB 3.3Å; E13-R17 WeakPolarHBondContact O-CB 2.79Å; E13-R17 PolarHBondContact O-N 2.89Å
14S49.4Very low53.1Low52 Ų52125.3 Ų125.336%0.36461%0.607SS.*Hα-helixtrans-69.4-37.5174.787.90000112.3A10 T11 R17 K18A10-S14 WeakPolarHBondContact O-CB 3.39Å; A10-S14 PolarHBondContact O-N 2.82Å; T11-S14 PolarHBondContact O-N 3.25Å; T11-S14 PolarHBondContact O-OG 3.19Å; T11-S14 VanDerWaalsContact O-OG 3.07Å; S14-R17 PolarHBondContact O-N 3.35Å; S14-K18 WeakPolarHBondContact O-CB 3.48Å; S14-K18 VanDerWaalsContact O-CG 3.29Å; S14-K18 WeakPolarHBondContact O-CG 3.01Å; S14-K18 PolarHBondContact O-N 3.16Å
15L47.9Very low54.6Low87 Ų87120.5 Ų120.546%0.45559%0.586SS.*Hα-helixtrans-66.9-42.5172.3-87.5157.3000110.8T11 K18 L19T11-L15 HydrophobicContact CG2-CD1 4.15Å; T11-L15 WeakPolarHBondContact O-CB 3.28Å; T11-L15 PolarHBondContact O-N 3.31Å; L15-K18 CarbonylContact O-C 3.53Å; L15-K18 PolarHBondContact O-N 3.06Å; L15-L19 VanDerWaalsContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CB 2.97Å; L15-L19 WeakPolarHBondContact O-CD1 3.34Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.32Å
16R42.4Very low56Low178 Ų178116.4 Ų116.467%0.67256%0.56SS**Hα-helixtrans-64.8-38.7172.6-78.1177.2175.2-175.7-1.2111.6L12 E13 L19 S20L12-R16 VanDerWaalsContact O-CB 3.23Å; L12-R16 WeakPolarHBondContact O-CB 3.41Å; L12-R16 VanDerWaalsContact O-CG 3.24Å; L12-R16 WeakPolarHBondContact O-CG 3.42Å; L12-R16 PolarHBondContact O-N 2.98Å; E13-R16 CarbonylContact O-C 3.57Å; E13-R16 PolarHBondContact O-N 3.02Å; R16-L19 CarbonylContact O-C 3.57Å; R16-L19 PolarHBondContact O-N 3.08Å; R16-S20 WeakPolarHBondContact O-CA 3.35Å; R16-S20 WeakPolarHBondContact O-CB 3.11Å; R16-S20 PolarHBondContact O-N 3.15Å
17R40Very low57.4Low189 Ų189117.1 Ų117.171%0.71356%0.555SS**Hα-helixtrans-65.3-39.2173.8-118.9172.4143.4148-6.2111.7E13 S14 K21E13-R17 VanDerWaalsContact O-CB 3.3Å; E13-R17 WeakPolarHBondContact O-CB 2.79Å; E13-R17 PolarHBondContact O-N 2.89Å; S14-R17 PolarHBondContact O-N 3.35Å; R17-K21 PolarHBondContact O-N 2.88Å
18K38.8Very low59.4Low171 Ų171113.1 Ų113.174%0.74355%0.55SS**Hα-helixtrans-70.2-30.3174.4-77.3179.5177.4-177.10112.8S14 L15S14-K18 WeakPolarHBondContact O-CB 3.48Å; S14-K18 VanDerWaalsContact O-CG 3.29Å; S14-K18 WeakPolarHBondContact O-CG 3.01Å; S14-K18 PolarHBondContact O-N 3.16Å; L15-K18 CarbonylContact O-C 3.53Å; L15-K18 PolarHBondContact O-N 3.06Å
19L43.7Very low61.2Low144 Ų144106.9 Ų106.975%0.75454%0.543SS*.Hα-helixtrans-87.8-23.3176.5-74.9161.9000113.4L15 R16L15-L19 VanDerWaalsContact O-CB 3.26Å; L15-L19 WeakPolarHBondContact O-CB 2.97Å; L15-L19 WeakPolarHBondContact O-CD1 3.34Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.32Å; R16-L19 CarbonylContact O-C 3.57Å; R16-L19 PolarHBondContact O-N 3.08Å
20S42.5Very low63Low96 Ų9699.8 Ų99.867%0.67152%0.518SS*.Hα-helixtrans-99.1-19.6-169.8175.90000114.5R16R16-S20 WeakPolarHBondContact O-CA 3.35Å; R16-S20 WeakPolarHBondContact O-CB 3.11Å; R16-S20 PolarHBondContact O-N 3.15Å
21K43.9Very low64.9Low158 Ų15898.7 Ų98.769%0.68751%0.505SS*.SBendtrans-105.695.2171-73.6-169.8175.9-166.90107.8R17 K23R17-K21 PolarHBondContact O-N 2.88Å; K21-K23 PolarHBondContact O-N 3.13Å
22S54.6Low66.3Low100 Ų10096 Ų9670%0.69949%0.488SS*.  trans-46115.61561790000106.3E24S22-E24 PolarHBondContact O-N 3.39Å
23K63.5Low68.2Low139 Ų13997.2 Ų97.260%0.60449%0.489SS*.  trans-53.4114.7175.7-178.6176.4172.1-1780105.7K21 L25 D103K21-K23 PolarHBondContact O-N 3.13Å; K23-L25 PolarHBondContact O-N 2.88Å; K23-D103 IonicContact NZ-OD2 2.95Å; K23-D103 PolarHBondContact NZ-OD2 3.01Å
24E76.9Confident70.1Confident139 Ų13998.5 Ų98.565%0.6550%0.495SS*.  trans-62104.3179.2-172.3170.9-146.600107S22 I26 K27S22-E24 PolarHBondContact O-N 3.39Å; E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 WeakPolarHBondContact CG-O 3.14Å; E24-K27 HydrophobicContact CG-CB 4.41Å
25L83.9Confident72.4Confident38 Ų3898.3 Ų98.320%0.19949%0.486CS..  trans-71.6-33.4-170.9-69.8174.2000111.4K23 V66 A104K23-L25 PolarHBondContact O-N 2.88Å; L25-V66 HydrophobicContact CB-CG1 4.21Å; L25-V66 HydrophobicContact CD1-CG1 4.23Å; L25-A104 HydrophobicContact CB-CB 3.93Å; L25-A104 HydrophobicContact CD1-CB 4.33Å; L25-A104 HydrophobicContact CD2-CB 4.34Å; L25-A104 HydrophobicContact CG-CB 4.43Å
26I89.7Confident74.8Confident2 Ų294.7 Ų94.71%0.0147%0.467CS..SBendtrans-150143.5-178.1-59.3-166.7000107.4E24 D30 I32 I38 F51 V66 W101 A104E24-I26 VanDerWaalsContact C-N 3.32Å; E24-I26 WeakPolarHBondContact CG-O 3.14Å; I26-D30 HydrophobicContact CG2-CB 4.2Å; I26-I32 HydrophobicContact CD1-CD1 3.73Å; I26-I38 HydrophobicContact CG2-CB 4.35Å; I26-I38 HydrophobicContact CG2-CD1 3.77Å; I26-I38 HydrophobicContact CG2-CG1 3.51Å; I26-I38 HydrophobicContact CG2-CG2 4.25Å; I26-F51 HydrophobicContact CB-CE2 4.28Å; I26-F51 HydrophobicContact CB-CZ 4.29Å; I26-V66 HydrophobicContact CD1-CB 4.39Å; I26-V66 HydrophobicContact CD1-CG1 3.78Å; I26-V66 HydrophobicContact CD1-CG2 3.63Å; I26-V66 HydrophobicContact CG1-CG1 4.03Å; I26-V66 HydrophobicContact CG1-CG2 4.42Å; I26-W101 HydrophobicContact CD1-CB 4.49Å; I26-W101 HydrophobicContact CD1-CG 4.5Å; I26-A104 HydrophobicContact CD1-CB 4.49Å; I26-A104 HydrophobicContact CG1-CB 4.42Å
27K91.4Very high77.4Confident115 Ų11589.2 Ų89.250%0.545%0.449SS..  trans-128.3163.617959.2176.8179.1-177.70112.2E24 G29 D30 I38E24-K27 HydrophobicContact CG-CB 4.41Å; K27-G29 PolarHBondContact O-N 2.97Å; K27-D30 WeakPolarHBondContact CE-OD1 3.47Å; K27-D30 VanDerWaalsContact CG-CG 3.49Å; K27-D30 VanDerWaalsContact CG-OD1 3.29Å; K27-D30 WeakPolarHBondContact CG-OD1 3.39Å; K27-D30 WeakPolarHBondContact CG-OD2 3.39Å; K27-D30 PolarHBondContact N-OD2 3.21Å; K27-D30 WeakPolarHBondContact O-CB 3.42Å; K27-D30 PolarHBondContact O-N 2.82Å; K27-D30 VanDerWaalsContact O-N 3.15Å; K27-I38 WeakPolarHBondContact O-CB 3.25Å; K27-I38 WeakPolarHBondContact O-CG2 3.41Å
28A93.5Very high80.2Confident66 Ų6680.3 Ų80.355%0.54542%0.416SS..THydrogen-bonded Turntrans-56.8136.7171.900000111.2D30 V39A28-D30 VanDerWaalsContact C-N 3.35Å; A28-V39 WeakPolarHBondContact CB-O 3.5Å
29G94.1Very high83Confident52 Ų5275.5 Ų75.554%0.53640%0.4SS..THydrogen-bonded Turntrans88.3-12.5-174.600000115K27 I38K27-G29 PolarHBondContact O-N 2.97Å; G29-I38 PolarHBondContact N-O 2.95Å
30D95.9Very high85.5Confident31 Ų3174.1 Ų74.117%0.16639%0.388CS..  trans-63.7138.7172.7-72.5-14.3000110.4I26 K27 A28 E37 I38I26-D30 HydrophobicContact CG2-CB 4.2Å; K27-D30 WeakPolarHBondContact CE-OD1 3.47Å; K27-D30 VanDerWaalsContact CG-CG 3.49Å; K27-D30 VanDerWaalsContact CG-OD1 3.29Å; K27-D30 WeakPolarHBondContact CG-OD1 3.39Å; K27-D30 WeakPolarHBondContact CG-OD2 3.39Å; K27-D30 PolarHBondContact N-OD2 3.21Å; K27-D30 WeakPolarHBondContact O-CB 3.42Å; K27-D30 PolarHBondContact O-N 2.82Å; K27-D30 VanDerWaalsContact O-N 3.15Å; A28-D30 VanDerWaalsContact C-N 3.35Å; D30-E37 WeakPolarHBondContact O-CA 3.41Å; D30-I38 HydrophobicContact CB-CG1 4.12Å; D30-I38 WeakPolarHBondContact O-CG1 3.29Å; D30-I38 PolarHBondContact O-N 3.41Å
31L96.9Very high87.9Confident30 Ų3073.2 Ų73.216%0.15738%0.379CS..EExtended strand (participates in β ladder)trans-11599.1-179.9-177.462.9000110.6K33 E34 E37 W101L31-K33 PolarHBondContact O-N 3.1Å; L31-E34 WeakPolarHBondContact CD2-OE2 3.45Å; L31-E37 HydrophobicContact CD1-CB 3.92Å; L31-W101 WeakPolarHBondContact O-CH2 3.4Å
32I96.1Very high90.3Very high0 Ų069.6 Ų69.60%037%0.366CS..EExtended strand (participates in β ladder)trans-76.7122.9-177.7-55.6176.6000109.6I26 E34 R35 W36 I38 I64 W101 Y106I26-I32 HydrophobicContact CD1-CD1 3.73Å; I32-E34 VanDerWaalsContact C-N 3.26Å; I32-E34 PolarHBondContact O-N 3.35Å; I32-R35 PolarHBondContact O-N 2.91Å; I32-W36 HydrophobicContact CB-CB 4.38Å; I32-W36 HydrophobicContact CB-CE3 4.22Å; I32-W36 HydrophobicContact CG2-CE3 3.96Å; I32-W36 HydrophobicContact CG2-CZ3 4.42Å; I32-W36 PolarHBondContact N-O 3.48Å; I32-W36 PolarHBondContact O-N 3.11Å; I32-I38 HydrophobicContact CD1-CD1 3.98Å; I32-I38 HydrophobicContact CD1-CG1 4.45Å; I32-I64 HydrophobicContact CD1-CD1 4.21Å; I32-I64 HydrophobicContact CD1-CG2 4.41Å; I32-W101 HydrophobicContact CB-CE3 4.28Å; I32-W101 HydrophobicContact CG1-CD2 4.15Å; I32-W101 HydrophobicContact CG1-CE3 4.32Å; I32-W101 HydrophobicContact CG1-CG 4.35Å; I32-W101 HydrophobicContact CG2-CD2 4.48Å; I32-W101 HydrophobicContact CG2-CE3 4Å; I32-Y106 HydrophobicContact CG2-CD1 4.23Å; I32-Y106 HydrophobicContact CG2-CE1 3.67Å; I32-Y106 HydrophobicContact CG2-CE2 4.1Å
33K93.1Very high91.8Very high128 Ų12866.1 Ų66.156%0.55735%0.346SS*.THydrogen-bonded Turntrans51.439.4179-66.3-168.6174.3176.80113.6L31 R35 W36 Y106L31-K33 PolarHBondContact O-N 3.1Å; K33-R35 PolarHBondContact O-N 3.26Å; K33-W36 HydrophobicContact CB-CZ3 4.38Å; K33-W36 HydrophobicContact CD-CZ3 4.23Å; K33-Y106 WeakPolarHBondContact CD-OH 3.32Å; K33-Y106 WeakPolarHBondContact CE-OH 3.46Å; K33-Y106 PolarHBondContact NZ-OH 2.91Å
34E94.2Very high92.6Very high154 Ų15464.3 Ų64.372%0.7235%0.351SS*.THydrogen-bonded Turntrans55.119.6-177.7-57.3-53.8132.700114.1L31 I32L31-E34 WeakPolarHBondContact CD2-OE2 3.45Å; I32-E34 VanDerWaalsContact C-N 3.26Å; I32-E34 PolarHBondContact O-N 3.35Å
35R97.3Very high92.3Very high47 Ų4760.2 Ų60.218%0.17735%0.346CS..THydrogen-bonded Turntrans-130.4-52.1-170.1179.4177.1172.7-164.8-9.9113.4I32 K33 D55 R56 K57 Y58I32-R35 PolarHBondContact O-N 2.91Å; K33-R35 PolarHBondContact O-N 3.26Å; R35-D55 VanDerWaalsContact CG-OD1 3.3Å; R35-D55 WeakPolarHBondContact CG-OD1 3.14Å; R35-D55 IonicContact CZ-OD1 3.65Å; R35-D55 IonicContact CZ-OD2 3.45Å; R35-D55 IonicContact NE-OD1 2.81Å; R35-D55 PolarHBondContact NE-OD1 3.02Å; R35-D55 IonicContact NE-OD2 3.37Å; R35-D55 PolarHBondContact NE-OD2 3.19Å; R35-D55 IonicContact NH2-OD1 3.63Å; R35-D55 IonicContact NH2-OD2 2.72Å; R35-D55 PolarHBondContact NH2-OD2 3.37Å; R35-R56 WeakPolarHBondContact O-CB 3.38Å; R35-R56 PolarHBondContact O-N 3.27Å; R35-K57 HydrophobicContact CG-CB 4.13Å; R35-Y58 VanDerWaalsContact NH2-CE2 3.33Å
36W97.9Very high91.4Very high11 Ų1161.9 Ų61.94%0.04237%0.372CS..EExtended strand (participates in β ladder)trans-104.6105.9-172.3-57.2-68000111I32 K33 H54 D55 I64 Y106 V108I32-W36 HydrophobicContact CB-CB 4.38Å; I32-W36 HydrophobicContact CB-CE3 4.22Å; I32-W36 HydrophobicContact CG2-CE3 3.96Å; I32-W36 HydrophobicContact CG2-CZ3 4.42Å; I32-W36 PolarHBondContact N-O 3.48Å; I32-W36 PolarHBondContact O-N 3.11Å; K33-W36 HydrophobicContact CB-CZ3 4.38Å; K33-W36 HydrophobicContact CD-CZ3 4.23Å; W36-H54 WeakPolarHBondContact CA-O 3.11Å; W36-D55 PolarHBondContact NE1-OD2 2.94Å; W36-I64 HydrophobicContact CB-CD1 3.64Å; W36-I64 HydrophobicContact CG-CD1 4.12Å; W36-Y106 HydrophobicContact CE3-CE2 4.18Å; W36-Y106 HydrophobicContact CH2-CE2 4.38Å; W36-Y106 AromaticContact CZ3-CE2 3.73Å; W36-Y106 HydrophobicContact CZ3-CE2 3.73Å; W36-V108 HydrophobicContact CD2-CG1 4.44Å; W36-V108 HydrophobicContact CD2-CG2 3.9Å; W36-V108 HydrophobicContact CE3-CG2 4.06Å; W36-V108 HydrophobicContact CG-CG1 4.49Å; W36-V108 HydrophobicContact CG-CG2 4.47Å; W36-V108 HydrophobicContact CH2-CG2 4.06Å; W36-V108 HydrophobicContact CZ2-CB 4.28Å; W36-V108 HydrophobicContact CZ2-CG1 4.32Å; W36-V108 HydrophobicContact CZ2-CG2 3.91Å; W36-V108 HydrophobicContact CZ3-CG2 4.15Å
37E98.1Very high90.5Very high64 Ų6465.6 Ų65.630%0.29939%0.388SS..EExtended strand (participates in β ladder)trans-88120.2-179.7-176.6172.7178.900110.3D30 L31 V39 A53 H54 R56D30-E37 WeakPolarHBondContact O-CA 3.41Å; L31-E37 HydrophobicContact CD1-CB 3.92Å; E37-V39 PolarHBondContact O-N 3.01Å; E37-A53 CarbonylContact O-C 3.59Å; E37-A53 WeakPolarHBondContact O-CA 3.41Å; E37-A53 VanDerWaalsContact O-CB 3.25Å; E37-A53 WeakPolarHBondContact O-CB 3.37Å; E37-H54 PolarHBondContact N-O 3.42Å; E37-H54 PolarHBondContact O-N 3.26Å; E37-R56 VanDerWaalsContact CD-NH2 3.34Å; E37-R56 IonicContact OE1-NH2 3.47Å; E37-R56 IonicContact OE2-CZ 3.01Å; E37-R56 VanDerWaalsContact OE2-CZ 3.26Å; E37-R56 IonicContact OE2-NE 2.76Å; E37-R56 PolarHBondContact OE2-NE 2.81Å; E37-R56 IonicContact OE2-NH2 3.92Å; E37-R56 PolarHBondContact OE2-NH2 2.86Å
38I97.8Very high90.1Very high2 Ų261.1 Ų61.11%0.0138%0.375CS..EExtended strand (participates in β ladder)trans-73.8121.6-178.5-57.4-71.7000109.3I26 K27 G29 D30 I32 F51 A53 I64I26-I38 HydrophobicContact CG2-CB 4.35Å; I26-I38 HydrophobicContact CG2-CD1 3.77Å; I26-I38 HydrophobicContact CG2-CG1 3.51Å; I26-I38 HydrophobicContact CG2-CG2 4.25Å; K27-I38 WeakPolarHBondContact O-CB 3.25Å; K27-I38 WeakPolarHBondContact O-CG2 3.41Å; G29-I38 PolarHBondContact N-O 2.95Å; D30-I38 HydrophobicContact CB-CG1 4.12Å; D30-I38 WeakPolarHBondContact O-CG1 3.29Å; D30-I38 PolarHBondContact O-N 3.41Å; I32-I38 HydrophobicContact CD1-CD1 3.98Å; I32-I38 HydrophobicContact CD1-CG1 4.45Å; I38-F51 HydrophobicContact CD1-CB 4.25Å; I38-F51 HydrophobicContact CG2-CB 4.14Å; I38-F51 HydrophobicContact CG2-CD1 3.75Å; I38-F51 HydrophobicContact CG2-CE1 4.42Å; I38-F51 HydrophobicContact CG2-CG 4.1Å; I38-A53 HydrophobicContact CD1-CB 4.19Å; I38-I64 HydrophobicContact CD1-CD1 3.98Å
39V97.4Very high90.1Very high70 Ų7060.2 Ų60.242%0.42436%0.359SS..EExtended strand (participates in β ladder)trans-94.7-59.7-178.6-179.90000110.3A28 E37 R52 H54A28-V39 WeakPolarHBondContact CB-O 3.5Å; E37-V39 PolarHBondContact O-N 3.01Å; V39-R52 WeakPolarHBondContact CB-O 3.43Å; V39-R52 PolarHBondContact N-O 2.76Å; V39-H54 HydrophobicContact CG2-CB 4.35Å
40K95.8Very high90.1Very high115 Ų11559.4 Ų59.450%0.534%0.344SS..EExtended strand (participates in β ladder)trans-160155.7-177.365.7-178.5-178.1-179.60112.6I42 F51 R52K40-I42 HydrophobicContact CG-CG2 4.27Å; K40-F51 CarbonylContact O-C 3.58Å; K40-F51 VanDerWaalsContact O-CA 3.31Å; K40-F51 WeakPolarHBondContact O-CA 3.47Å; K40-R52 HydrophobicContact CG-CB 4.39Å; K40-R52 PolarHBondContact N-O 2.63Å; K40-R52 PolarHBondContact O-N 3.27Å
41T94.6Very high90.1Very high76 Ų7658.1 Ų58.147%0.46634%0.337SS..EExtended strand (participates in β ladder)trans-67.6131.9168.9-46.90000110.1F51T41-F51 HydrophobicContact CG2-CE1 4.45Å; T41-F51 VanDerWaalsContact OG1-CE1 3.25Å; T41-F51 WeakPolarHBondContact OG1-CE1 3.49Å
42I93.3Very high90.1Very high83 Ų8361 Ų6143%0.42635%0.345SS..EExtended strand (participates in β ladder)trans-117.5-12.617660.9174.4000113K40 V50 R52 A63 L111K40-I42 HydrophobicContact CG-CG2 4.27Å; I42-V50 HydrophobicContact CD1-CG1 3.94Å; I42-V50 HydrophobicContact CG1-CB 4.19Å; I42-V50 HydrophobicContact CG1-CG1 3.81Å; I42-V50 WeakPolarHBondContact CG1-O 3.48Å; I42-V50 PolarHBondContact N-O 3.34Å; I42-R52 HydrophobicContact CD1-CB 4.41Å; I42-R52 HydrophobicContact CG2-CB 3.73Å; I42-A63 HydrophobicContact CD1-CB 4.48Å; I42-L111 HydrophobicContact CD1-CD1 3.66Å
43G87.2Confident90.3Very high27 Ų2761 Ų6128%0.27835%0.345SS..EExtended strand (participates in β ladder)trans-160.8149.1173.600000111.7V50G43-V50 PolarHBondContact N-O 2.91Å; G43-V50 VanDerWaalsContact N-O 3.07Å; G43-V50 PolarHBondContact O-N 3.21Å
44S80.2Confident90.5Very high100 Ų10057.6 Ų57.670%0.69933%0.332SS*.EExtended strand (participates in β ladder)trans-143.6131.8175.458.90000109.4
45G69Low90.7Very high54 Ų5450.3 Ų50.356%0.55730%0.297SS*.EExtended strand (participates in β ladder)trans-154.7-176.2-179.100000113F47 G48G45-F47 PolarHBondContact O-N 3.19Å; G45-G48 PolarHBondContact N-O 3Å; G45-G48 PolarHBondContact O-N 3.17Å; G45-G48 VanDerWaalsContact O-O 3.08Å
46G66.7Low90.7Very high72 Ų7254 Ų5474%0.74231%0.311SS*.THydrogen-bonded Turntrans-64.7-18.8-175.900000115.2
47F71Confident90.7Very high81 Ų8159.9 Ų59.936%0.35534%0.337SS..THydrogen-bonded Turntrans-97.7-7.2179.4-59.6-74.2000113.4G45 V75G45-F47 PolarHBondContact O-N 3.19Å; F47-V75 HydrophobicContact CB-CG2 4.16Å; F47-V75 HydrophobicContact CD1-CG1 4.35Å; F47-V75 HydrophobicContact CD1-CG2 3.8Å; F47-V75 HydrophobicContact CE1-CG1 4.47Å; F47-V75 HydrophobicContact CG-CG2 4.19Å
48G82.9Confident90.6Very high21 Ų2162.8 Ų62.822%0.21635%0.347CS..EExtended strand (participates in β ladder)trans148.5-167.2-17800000114.5G45 V66G45-G48 PolarHBondContact N-O 3Å; G45-G48 PolarHBondContact O-N 3.17Å; G45-G48 VanDerWaalsContact O-O 3.08Å; G48-V66 CarbonylContact C-O 3.52Å; G48-V66 WeakPolarHBondContact CA-O 3.38Å
49Q91.7Very high90.6Very high47 Ų4767.4 Ų67.422%0.2238%0.379CS..EExtended strand (participates in β ladder)trans-115.8148.3178.1-68.1173.1-21.200109.8F51 K65 V66Q49-F51 HydrophobicContact CB-CD2 4.37Å; Q49-F51 HydrophobicContact CB-CE2 3.54Å; Q49-F51 HydrophobicContact CB-CZ 3.86Å; Q49-F51 VanDerWaalsContact OE1-CZ 3.29Å; Q49-K65 CarbonylContact O-C 3.6Å; Q49-K65 WeakPolarHBondContact O-CA 3.41Å; Q49-V66 PolarHBondContact N-O 3.16Å; Q49-V66 PolarHBondContact O-N 3.32Å
50V94.7Very high90.5Very high35 Ų3568 Ų6821%0.21237%0.373CS..EExtended strand (participates in β ladder)trans-122.5128.4175.3-171.30000108.1I42 G43 A63 I64 K65I42-V50 HydrophobicContact CD1-CG1 3.94Å; I42-V50 HydrophobicContact CG1-CB 4.19Å; I42-V50 HydrophobicContact CG1-CG1 3.81Å; I42-V50 WeakPolarHBondContact CG1-O 3.48Å; I42-V50 PolarHBondContact N-O 3.34Å; G43-V50 PolarHBondContact N-O 2.91Å; G43-V50 VanDerWaalsContact N-O 3.07Å; G43-V50 PolarHBondContact O-N 3.21Å; V50-A63 HydrophobicContact CG1-CB 4.36Å; V50-I64 CarbonylContact C-O 3.55Å; V50-I64 WeakPolarHBondContact CA-O 3.36Å; V50-K65 HydrophobicContact CG2-CB 4.35Å; V50-K65 HydrophobicContact CG2-CG 4.11Å
51F96.6Very high90.6Very high4 Ų465 Ų652%0.01836%0.363CS..EExtended strand (participates in β ladder)trans-116.5145.6-179.2-59.2-91.9000110.5I26 I38 K40 T41 Q49 A63 I64 V66I26-F51 HydrophobicContact CB-CE2 4.28Å; I26-F51 HydrophobicContact CB-CZ 4.29Å; I38-F51 HydrophobicContact CD1-CB 4.25Å; I38-F51 HydrophobicContact CG2-CB 4.14Å; I38-F51 HydrophobicContact CG2-CD1 3.75Å; I38-F51 HydrophobicContact CG2-CE1 4.42Å; I38-F51 HydrophobicContact CG2-CG 4.1Å; K40-F51 CarbonylContact O-C 3.58Å; K40-F51 VanDerWaalsContact O-CA 3.31Å; K40-F51 WeakPolarHBondContact O-CA 3.47Å; T41-F51 HydrophobicContact CG2-CE1 4.45Å; T41-F51 VanDerWaalsContact OG1-CE1 3.25Å; T41-F51 WeakPolarHBondContact OG1-CE1 3.49Å; Q49-F51 HydrophobicContact CB-CD2 4.37Å; Q49-F51 HydrophobicContact CB-CE2 3.54Å; Q49-F51 HydrophobicContact CB-CZ 3.86Å; Q49-F51 VanDerWaalsContact OE1-CZ 3.29Å; F51-A63 CarbonylContact O-C 3.59Å; F51-A63 WeakPolarHBondContact O-CA 3.31Å; F51-I64 PolarHBondContact N-O 2.72Å; F51-I64 PolarHBondContact O-N 3.42Å; F51-V66 HydrophobicContact CD2-CG2 3.8Å; F51-V66 HydrophobicContact CE2-CB 4.16Å; F51-V66 HydrophobicContact CE2-CG2 3.8Å
52R97.6Very high90.8Very high89 Ų8961.4 Ų61.434%0.33634%0.341SS..EExtended strand (participates in β ladder)trans-79.1132.5156.2177.9174176.1-179-7.2107.3V39 K40 I42 D61 L111V39-R52 WeakPolarHBondContact CB-O 3.43Å; V39-R52 PolarHBondContact N-O 2.76Å; K40-R52 HydrophobicContact CG-CB 4.39Å; K40-R52 PolarHBondContact N-O 2.63Å; K40-R52 PolarHBondContact O-N 3.27Å; I42-R52 HydrophobicContact CD1-CB 4.41Å; I42-R52 HydrophobicContact CG2-CB 3.73Å; R52-D61 IonicContact CZ-OD2 3.92Å; R52-D61 IonicContact NE-OD2 3.86Å; R52-D61 PolarHBondContact NE-OD2 3.25Å; R52-D61 IonicContact NH2-OD2 2.9Å; R52-D61 PolarHBondContact NH2-OD2 3.37Å; R52-L111 HydrophobicContact CB-CD1 4.45Å; R52-L111 HydrophobicContact CG-CD1 4.43Å; R52-L111 HydrophobicContact CG-CD2 4.14Å
53A98.3Very high91Very high0 Ų057.6 Ų57.60%032%0.322CS..EExtended strand (participates in β ladder)trans-133.1157.3175.500000110.3E37 I38 D61 V62 I64E37-A53 CarbonylContact O-C 3.59Å; E37-A53 WeakPolarHBondContact O-CA 3.41Å; E37-A53 VanDerWaalsContact O-CB 3.25Å; E37-A53 WeakPolarHBondContact O-CB 3.37Å; I38-A53 HydrophobicContact CD1-CB 4.19Å; A53-D61 WeakPolarHBondContact O-CA 3.3Å; A53-V62 HydrophobicContact CB-CG2 3.92Å; A53-V62 PolarHBondContact N-O 3.44Å; A53-V62 PolarHBondContact O-N 2.98Å; A53-I64 HydrophobicContact CB-CD1 3.48Å; A53-I64 VanDerWaalsContact CB-CD1 3.48Å; A53-I64 HydrophobicContact CB-CG1 3.79Å
54H98.4Very high91.5Very high58 Ų5856.3 Ų56.327%0.26931%0.309SS..EExtended strand (participates in β ladder)trans-101.7123.3173.9-171.267.9000110W36 E37 V39 R56 D61W36-H54 WeakPolarHBondContact CA-O 3.11Å; E37-H54 PolarHBondContact N-O 3.42Å; E37-H54 PolarHBondContact O-N 3.26Å; V39-H54 HydrophobicContact CG2-CB 4.35Å; H54-R56 PolarHBondContact O-N 3.46Å; H54-D61 IonicContact CG-OD1 3.15Å; H54-D61 IonicContact ND1-OD1 3.66Å; H54-D61 PolarHBondContact ND1-OD1 3Å
55D98.3Very high92.3Very high0 Ų052.4 Ų52.40%028%0.279CS..EExtended strand (participates in β ladder)trans-85.696.8174.4-174.9-10.7000109.7R35 W36 K57 Y58 S59 R60 V62R35-D55 VanDerWaalsContact CG-OD1 3.3Å; R35-D55 WeakPolarHBondContact CG-OD1 3.14Å; R35-D55 IonicContact CZ-OD1 3.65Å; R35-D55 IonicContact CZ-OD2 3.45Å; R35-D55 IonicContact NE-OD1 2.81Å; R35-D55 PolarHBondContact NE-OD1 3.02Å; R35-D55 IonicContact NE-OD2 3.37Å; R35-D55 PolarHBondContact NE-OD2 3.19Å; R35-D55 IonicContact NH2-OD1 3.63Å; R35-D55 IonicContact NH2-OD2 2.72Å; R35-D55 PolarHBondContact NH2-OD2 3.37Å; W36-D55 PolarHBondContact NE1-OD2 2.94Å; D55-K57 PolarHBondContact O-N 3.38Å; D55-K57 WeakPolarHBondContact OD1-CB 3.45Å; D55-K57 PolarHBondContact OD1-N 2.81Å; D55-Y58 PolarHBondContact O-N 3.26Å; D55-S59 WeakPolarHBondContact O-CA 3.41Å; D55-S59 PolarHBondContact O-N 2.99Å; D55-R60 HydrophobicContact CB-CG 4.07Å; D55-R60 WeakPolarHBondContact CB-O 3.37Å; D55-R60 PolarHBondContact N-O 2.86Å; D55-R60 PolarHBondContact O-N 3.38Å; D55-R60 IonicContact OD2-NE 3.63Å; D55-R60 IonicContact OD2-NH2 3.67Å; D55-V62 HydrophobicContact CB-CG1 3.93Å
56R97.8Very high93.5Very high124 Ų12449.9 Ų49.947%0.46825%0.253SS..THydrogen-bonded Turntrans-59.6-28-177.7-67.9-177.1172.9-170.2-3.8113.3R35 E37 H54R35-R56 WeakPolarHBondContact O-CB 3.38Å; R35-R56 PolarHBondContact O-N 3.27Å; E37-R56 VanDerWaalsContact CD-NH2 3.34Å; E37-R56 IonicContact OE1-NH2 3.47Å; E37-R56 IonicContact OE2-CZ 3.01Å; E37-R56 VanDerWaalsContact OE2-CZ 3.26Å; E37-R56 IonicContact OE2-NE 2.76Å; E37-R56 PolarHBondContact OE2-NE 2.81Å; E37-R56 IonicContact OE2-NH2 3.92Å; E37-R56 PolarHBondContact OE2-NH2 2.86Å; H54-R56 PolarHBondContact O-N 3.46Å
57K97.1Very high94.8Very high136 Ų13646.8 Ų46.859%0.59122%0.219SC*.THydrogen-bonded Turntrans-70.6-40.5-178.3-178.1177.3178.6-173.60112.2R35 D55R35-K57 HydrophobicContact CG-CB 4.13Å; D55-K57 PolarHBondContact O-N 3.38Å; D55-K57 WeakPolarHBondContact OD1-CB 3.45Å; D55-K57 PolarHBondContact OD1-N 2.81Å
58Y96.7Very high95.8Very high125 Ų12544.8 Ų44.849%0.4922%0.215SC..THydrogen-bonded Turntrans-111.66.9-176.2-63.9-75.5000112.9R35 D55 R60R35-Y58 VanDerWaalsContact NH2-CE2 3.33Å; D55-Y58 PolarHBondContact O-N 3.26Å; Y58-R60 VanDerWaalsContact C-N 3.32Å; Y58-R60 PolarHBondContact O-N 3.42Å
59S96.7Very high96.2Very high98 Ų9848.7 Ų48.769%0.68523%0.226SC*.THydrogen-bonded Turntrans48.149.8179.8-61.50000113D55D55-S59 WeakPolarHBondContact O-CA 3.41Å; D55-S59 PolarHBondContact O-N 2.99Å
60R96.5Very high96Very high82 Ų8252.5 Ų52.531%0.30925%0.248SC..EExtended strand (participates in β ladder)trans-139.7157.6-178.368.6179.5179.4-175.8-0.5111.6D55 Y58 V62 Y96D55-R60 HydrophobicContact CB-CG 4.07Å; D55-R60 WeakPolarHBondContact CB-O 3.37Å; D55-R60 PolarHBondContact N-O 2.86Å; D55-R60 PolarHBondContact O-N 3.38Å; D55-R60 IonicContact OD2-NE 3.63Å; D55-R60 IonicContact OD2-NH2 3.67Å; Y58-R60 VanDerWaalsContact C-N 3.32Å; Y58-R60 PolarHBondContact O-N 3.42Å; R60-V62 HydrophobicContact CG-CG1 4.3Å; R60-Y96 VanDerWaalsContact NH1-CE1 3.33Å; R60-Y96 PolarHBondContact NH1-OH 3.39Å
61D97.7Very high95.7Very high53 Ų5352.9 Ų52.928%0.28325%0.249SC..EExtended strand (participates in β ladder)trans-86.9145.2173.3-67.5-18.1000112.5R52 A53 H54 L111R52-D61 IonicContact CZ-OD2 3.92Å; R52-D61 IonicContact NE-OD2 3.86Å; R52-D61 PolarHBondContact NE-OD2 3.25Å; R52-D61 IonicContact NH2-OD2 2.9Å; R52-D61 PolarHBondContact NH2-OD2 3.37Å; A53-D61 WeakPolarHBondContact O-CA 3.3Å; H54-D61 IonicContact CG-OD1 3.15Å; H54-D61 IonicContact ND1-OD1 3.66Å; H54-D61 PolarHBondContact ND1-OD1 3Å; D61-L111 HydrophobicContact CB-CD2 3.87Å
62V98.3Very high95Very high0 Ų058.8 Ų58.80%029%0.288CS..EExtended strand (participates in β ladder)trans-135.7159.5-177-57.20000110.2A53 D55 R60 I64 Y96 V108A53-V62 HydrophobicContact CB-CG2 3.92Å; A53-V62 PolarHBondContact N-O 3.44Å; A53-V62 PolarHBondContact O-N 2.98Å; D55-V62 HydrophobicContact CB-CG1 3.93Å; R60-V62 HydrophobicContact CG-CG1 4.3Å; V62-I64 HydrophobicContact CG2-CD1 4.45Å; V62-I64 HydrophobicContact CG2-CG1 4.17Å; V62-Y96 HydrophobicContact CB-CD2 4.17Å; V62-Y96 HydrophobicContact CB-CE2 4.36Å; V62-Y96 HydrophobicContact CG1-CD2 3.56Å; V62-Y96 HydrophobicContact CG1-CE2 3.65Å; V62-V108 HydrophobicContact CB-CG1 3.9Å; V62-V108 HydrophobicContact CG1-CG1 4.35Å; V62-V108 HydrophobicContact CG2-CG1 3.66Å
63A97.8Very high94.4Very high4 Ų463.7 Ų63.73%0.03331%0.306CS..EExtended strand (participates in β ladder)trans-97135.6166.800000109.7I42 V50 F51 V108 M109 L111I42-A63 HydrophobicContact CD1-CB 4.48Å; V50-A63 HydrophobicContact CG1-CB 4.36Å; F51-A63 CarbonylContact O-C 3.59Å; F51-A63 WeakPolarHBondContact O-CA 3.31Å; A63-V108 WeakPolarHBondContact O-CA 3.29Å; A63-M109 HydrophobicContact CB-CE 4.18Å; A63-M109 HydrophobicContact CB-CG 4.04Å; A63-M109 PolarHBondContact N-O 3.07Å; A63-M109 PolarHBondContact O-N 2.81Å; A63-L111 HydrophobicContact CB-CD1 4.07Å
64I97.6Very high93.9Very high0 Ų065.3 Ų65.30%032%0.323CS..EExtended strand (participates in β ladder)trans-118.7111.5174-56.6-169000108.8I32 W36 I38 V50 F51 A53 V62 V66 Y106 M107 V108I32-I64 HydrophobicContact CD1-CD1 4.21Å; I32-I64 HydrophobicContact CD1-CG2 4.41Å; W36-I64 HydrophobicContact CB-CD1 3.64Å; W36-I64 HydrophobicContact CG-CD1 4.12Å; I38-I64 HydrophobicContact CD1-CD1 3.98Å; V50-I64 CarbonylContact C-O 3.55Å; V50-I64 WeakPolarHBondContact CA-O 3.36Å; F51-I64 PolarHBondContact N-O 2.72Å; F51-I64 PolarHBondContact O-N 3.42Å; A53-I64 HydrophobicContact CB-CD1 3.48Å; A53-I64 VanDerWaalsContact CB-CD1 3.48Å; A53-I64 HydrophobicContact CB-CG1 3.79Å; V62-I64 HydrophobicContact CG2-CD1 4.45Å; V62-I64 HydrophobicContact CG2-CG1 4.17Å; I64-V66 HydrophobicContact CG2-CG2 3.81Å; I64-Y106 HydrophobicContact CG2-CD2 4.44Å; I64-M107 CarbonylContact C-O 3.43Å; I64-M107 WeakPolarHBondContact CA-O 3.46Å; I64-V108 HydrophobicContact CD1-CG1 4.5Å; I64-V108 HydrophobicContact CD1-CG2 4.08Å; I64-V108 HydrophobicContact CG1-CB 4.5Å; I64-V108 HydrophobicContact CG1-CG1 4.17Å; I64-V108 HydrophobicContact CG1-CG2 4.12Å
65K96Very high93.7Very high18 Ų1863.6 Ų63.68%0.07832%0.317CS..EExtended strand (participates in β ladder)trans-89.9133.9171.8-172.7169.2-179.4178.80109Q49 V50 L76 E79 Y106 M107 M109 D178Q49-K65 CarbonylContact O-C 3.6Å; Q49-K65 WeakPolarHBondContact O-CA 3.41Å; V50-K65 HydrophobicContact CG2-CB 4.35Å; V50-K65 HydrophobicContact CG2-CG 4.11Å; K65-L76 HydrophobicContact CB-CD1 4.03Å; K65-L76 HydrophobicContact CD-CD1 3.88Å; K65-L76 HydrophobicContact CG-CD1 3.74Å; K65-E79 WeakPolarHBondContact CE-OE1 3.4Å; K65-E79 IonicContact NZ-OE1 3.38Å; K65-E79 PolarHBondContact NZ-OE1 3.47Å; K65-E79 IonicContact NZ-OE2 3.54Å; K65-E79 PolarHBondContact NZ-OE2 3.09Å; K65-Y106 CarbonylContact O-C 3.58Å; K65-Y106 VanDerWaalsContact O-CA 3.26Å; K65-Y106 WeakPolarHBondContact O-CA 3.26Å; K65-M107 HydrophobicContact CB-CE 4.43Å; K65-M107 HydrophobicContact CD-CE 4.36Å; K65-M107 PolarHBondContact N-O 3.1Å; K65-M107 PolarHBondContact O-N 3.3Å; K65-M109 HydrophobicContact CB-CE 4.43Å; K65-D178 IonicContact NZ-OD1 2.68Å; K65-D178 PolarHBondContact NZ-OD1 2.86Å
66V95.1Very high93.6Very high0 Ų063.9 Ų63.90%032%0.318CS..EExtended strand (participates in β ladder)trans-133.8134.7-170.6-175.20000109.9L25 I26 G48 Q49 F51 I64 A104 L105L25-V66 HydrophobicContact CB-CG1 4.21Å; L25-V66 HydrophobicContact CD1-CG1 4.23Å; I26-V66 HydrophobicContact CD1-CB 4.39Å; I26-V66 HydrophobicContact CD1-CG1 3.78Å; I26-V66 HydrophobicContact CD1-CG2 3.63Å; I26-V66 HydrophobicContact CG1-CG1 4.03Å; I26-V66 HydrophobicContact CG1-CG2 4.42Å; G48-V66 CarbonylContact C-O 3.52Å; G48-V66 WeakPolarHBondContact CA-O 3.38Å; Q49-V66 PolarHBondContact N-O 3.16Å; Q49-V66 PolarHBondContact O-N 3.32Å; F51-V66 HydrophobicContact CD2-CG2 3.8Å; F51-V66 HydrophobicContact CE2-CB 4.16Å; F51-V66 HydrophobicContact CE2-CG2 3.8Å; I64-V66 HydrophobicContact CG2-CG2 3.81Å; V66-A104 HydrophobicContact CG1-CB 3.67Å; V66-L105 VanDerWaalsContact CA-O 3.31Å; V66-L105 WeakPolarHBondContact CA-O 3.31Å
67E94Very high93.5Very high8 Ų865.1 Ų65.14%0.03733%0.327CS..EExtended strand (participates in β ladder)trans-134.6158.3169.971.4-179.1-167.500111.2G74 V75 L76 A104 L105E67-G74 WeakPolarHBondContact OE1-CA 3.36Å; E67-G74 VanDerWaalsContact OE2-CA 3.25Å; E67-G74 WeakPolarHBondContact OE2-CA 3.47Å; E67-V75 PolarHBondContact OE1-N 2.77Å; E67-V75 PolarHBondContact OE2-N 2.72Å; E67-L76 HydrophobicContact CG-CB 3.73Å; E67-L76 HydrophobicContact CG-CD2 4.04Å; E67-L76 WeakPolarHBondContact OE1-CB 3.49Å; E67-L76 PolarHBondContact OE1-N 3.29Å; E67-L76 PolarHBondContact OE2-N 2.55Å; E67-L76 VanDerWaalsContact OE2-N 3.14Å; E67-A104 CarbonylContact O-C 3.54Å; E67-A104 WeakPolarHBondContact O-CA 3.3Å; E67-L105 HydrophobicContact CG-CB 4.16Å; E67-L105 PolarHBondContact N-O 2.76Å; E67-L105 PolarHBondContact O-N 3.36Å
68S92.6Very high93.5Very high38 Ų3861.5 Ų61.527%0.26631%0.314SS..EExtended strand (participates in β ladder)trans-66.4136.3171.6173.80000109.7D70 N71S68-D70 PolarHBondContact O-N 3.18Å; S68-D70 PolarHBondContact OG-N 3.05Å; S68-N71 WeakPolarHBondContact O-CB 3.38Å; S68-N71 PolarHBondContact O-N 3.49Å
69K90.2Very high93.5Very high104 Ų10455.8 Ų55.845%0.45229%0.291SS..THydrogen-bonded Turntrans-57.8-33174.9178.9178.1178171.20112.5N71 D103 L105K69-N71 VanDerWaalsContact C-N 3.32Å; K69-D103 WeakPolarHBondContact CB-O 3.45Å; K69-D103 PolarHBondContact N-O 3.19Å; K69-L105 HydrophobicContact CB-CG 4.25Å
70D89Confident93.6Very high126 Ų12651.8 Ų51.867%0.67426%0.263SS*.THydrogen-bonded Turntrans-93.610.6179.9-56.3-39.2000112.3S68 P72S68-D70 PolarHBondContact O-N 3.18Å; S68-D70 PolarHBondContact OG-N 3.05Å; D70-P72 WeakPolarHBondContact O-CD 3.48Å; D70-P72 VanDerWaalsContact O-N 3.15Å
71N86.8Confident93.7Very high44 Ų4451.4 Ų51.424%0.23527%0.269CS..  trans-65.6113.2177.1-175.75.3000109.5S68 K69 R73 G74S68-N71 WeakPolarHBondContact O-CB 3.38Å; S68-N71 PolarHBondContact O-N 3.49Å; K69-N71 VanDerWaalsContact C-N 3.32Å; N71-R73 PolarHBondContact O-N 2.9Å; N71-R73 VanDerWaalsContact O-N 3.11Å; N71-R73 PolarHBondContact OD1-N 3.19Å; N71-G74 PolarHBondContact O-N 3.08Å
72P83.7Confident93.7Very high128 Ų12848.9 Ų48.983%0.83126%0.256SS*.THydrogen-bonded Turntrans-66.9-15178.429.1-36000112.6D70D70-P72 WeakPolarHBondContact O-CD 3.48Å; D70-P72 VanDerWaalsContact O-N 3.15Å
73R84.9Confident93.7Very high191 Ų19149 Ų4972%0.72126%0.256SS*.THydrogen-bonded Turntrans-103.218.4172.3-58.7-178.8-176.9170.61.3112.2N71 V75N71-R73 PolarHBondContact O-N 2.9Å; N71-R73 VanDerWaalsContact O-N 3.11Å; N71-R73 PolarHBondContact OD1-N 3.19Å; R73-V75 PolarHBondContact O-N 3.4Å
74G87.9Confident93.7Very high35 Ų3553.2 Ų53.236%0.36128%0.276SS..  trans-62.5130-179.700000111.1E67 N71E67-G74 WeakPolarHBondContact OE1-CA 3.36Å; E67-G74 VanDerWaalsContact OE2-CA 3.25Å; E67-G74 WeakPolarHBondContact OE2-CA 3.47Å; N71-G74 PolarHBondContact O-N 3.08Å
75V94Very high93.7Very high22 Ų2255.1 Ų55.113%0.13329%0.291CS..  trans-126.9-4-176.5-67.70000111.8F47 E67 R73 K77 L78 E79 G180F47-V75 HydrophobicContact CB-CG2 4.16Å; F47-V75 HydrophobicContact CD1-CG1 4.35Å; F47-V75 HydrophobicContact CD1-CG2 3.8Å; F47-V75 HydrophobicContact CE1-CG1 4.47Å; F47-V75 HydrophobicContact CG-CG2 4.19Å; E67-V75 PolarHBondContact OE1-N 2.77Å; E67-V75 PolarHBondContact OE2-N 2.72Å; R73-V75 PolarHBondContact O-N 3.4Å; V75-K77 VanDerWaalsContact C-N 3.29Å; V75-K77 PolarHBondContact O-N 3.39Å; V75-L78 WeakPolarHBondContact O-CA 3.49Å; V75-L78 WeakPolarHBondContact O-CB 3.49Å; V75-L78 PolarHBondContact O-N 2.91Å; V75-E79 WeakPolarHBondContact CG2-OE1 3.18Å; V75-E79 PolarHBondContact O-N 3.3Å; V75-G180 VanDerWaalsContact CG1-O 3.28Å; V75-G180 WeakPolarHBondContact CG1-O 3.28Å
76L95.2Very high93.9Very high5 Ų554.3 Ų54.33%0.02629%0.288CS..Hα-helixtrans-64.2-34.1-172.5-163.166.3000112.7K65 E67 L78 E79 V80 L105 M107K65-L76 HydrophobicContact CB-CD1 4.03Å; K65-L76 HydrophobicContact CD-CD1 3.88Å; K65-L76 HydrophobicContact CG-CD1 3.74Å; E67-L76 HydrophobicContact CG-CB 3.73Å; E67-L76 HydrophobicContact CG-CD2 4.04Å; E67-L76 WeakPolarHBondContact OE1-CB 3.49Å; E67-L76 PolarHBondContact OE1-N 3.29Å; E67-L76 PolarHBondContact OE2-N 2.55Å; E67-L76 VanDerWaalsContact OE2-N 3.14Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 2.97Å; L76-E79 PolarHBondContact O-N 3Å; L76-V80 WeakPolarHBondContact O-CG2 3.49Å; L76-V80 PolarHBondContact O-N 3.1Å; L76-L105 HydrophobicContact CD2-CB 3.96Å; L76-L105 WeakPolarHBondContact CD2-O 3.21Å; L76-M107 HydrophobicContact CD1-CB 3.73Å; L76-M107 HydrophobicContact CD1-CE 4.1Å; L76-M107 HydrophobicContact CD2-CB 4.27Å; L76-M107 HydrophobicContact CG-CB 4.04Å
77K96Very high94Very high151 Ų15157.6 Ų57.666%0.65730%0.303SS*.Hα-helixtrans-61.2-42.5173.2-69.4-179.5-179.3174.90112V75 V81 L105V75-K77 VanDerWaalsContact C-N 3.29Å; V75-K77 PolarHBondContact O-N 3.39Å; K77-V81 WeakPolarHBondContact O-CG2 3.16Å; K77-V81 PolarHBondContact O-N 3.26Å; K77-L105 HydrophobicContact CG-CD1 4.29Å
78L96.5Very high94.1Very high60 Ų6064.1 Ų64.131%0.31434%0.343SS..Hα-helixtrans-64.8-45175.4172.165.7000110.1V75 L76 V80 V81 V82 A182V75-L78 WeakPolarHBondContact O-CA 3.49Å; V75-L78 WeakPolarHBondContact O-CB 3.49Å; V75-L78 PolarHBondContact O-N 2.91Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 2.97Å; L78-V80 VanDerWaalsContact C-N 3.31Å; L78-V80 PolarHBondContact O-N 3.01Å; L78-V81 PolarHBondContact O-N 3.43Å; L78-V81 VanDerWaalsContact O-N 3.1Å; L78-V82 HydrophobicContact CD1-CG2 3.86Å; L78-V82 HydrophobicContact CG-CG2 4.19Å; L78-V82 VanDerWaalsContact O-CG2 3.27Å; L78-V82 WeakPolarHBondContact O-CG2 3.4Å; L78-V82 PolarHBondContact O-N 2.9Å; L78-A182 WeakPolarHBondContact CD2-O 3.48Å
79E97.3Very high94.4Very high4 Ų462.5 Ų62.52%0.01933%0.332CS..Hα-helixtrans-58.5-42.1178.6-72.9-174.1-136.200112.9K65 V75 L76 V81 V82 I83 M107 F179K65-E79 WeakPolarHBondContact CE-OE1 3.4Å; K65-E79 IonicContact NZ-OE1 3.38Å; K65-E79 PolarHBondContact NZ-OE1 3.47Å; K65-E79 IonicContact NZ-OE2 3.54Å; K65-E79 PolarHBondContact NZ-OE2 3.09Å; V75-E79 WeakPolarHBondContact CG2-OE1 3.18Å; V75-E79 PolarHBondContact O-N 3.3Å; L76-E79 PolarHBondContact O-N 3Å; E79-V81 VanDerWaalsContact C-N 3.34Å; E79-V81 PolarHBondContact O-N 2.82Å; E79-V82 PolarHBondContact O-N 3.48Å; E79-I83 WeakPolarHBondContact O-CB 3.36Å; E79-I83 VanDerWaalsContact O-CG2 3.31Å; E79-I83 WeakPolarHBondContact O-CG2 3.41Å; E79-I83 PolarHBondContact O-N 3.35Å; E79-M107 HydrophobicContact CB-CE 4.2Å; E79-M107 HydrophobicContact CB-SD 4.38Å; E79-F179 HydrophobicContact CG-CB 4.09Å
80V98.1Very high94.7Very high15 Ų1560.9 Ų60.99%0.09133%0.333CS..Hα-helixtrans-59.6-44.8174.5170.70000111.1L76 L78 V82 I83 Q84 F95 C98 M107L76-V80 WeakPolarHBondContact O-CG2 3.49Å; L76-V80 PolarHBondContact O-N 3.1Å; L78-V80 VanDerWaalsContact C-N 3.31Å; L78-V80 PolarHBondContact O-N 3.01Å; V80-V82 PolarHBondContact O-N 2.9Å; V80-I83 WeakPolarHBondContact O-CG2 3.41Å; V80-Q84 WeakPolarHBondContact O-CB 3.05Å; V80-Q84 WeakPolarHBondContact O-CG 3.41Å; V80-Q84 PolarHBondContact O-N 2.63Å; V80-Q84 PolarHBondContact O-OE1 3.28Å; V80-F95 HydrophobicContact CG1-CE2 4.02Å; V80-F95 HydrophobicContact CG1-CZ 4.01Å; V80-F95 HydrophobicContact CG2-CE2 4.17Å; V80-C98 HydrophobicContact CG1-CB 4.48Å; V80-C98 HydrophobicContact CG2-CB 3.9Å; V80-M107 HydrophobicContact CG2-CB 4.07Å; V80-M107 HydrophobicContact CG2-CG 3.93Å; V80-M107 HydrophobicContact CG2-SD 3.69Å
81V98.2Very high95.2Very high73 Ų7355.5 Ų55.544%0.44230%0.304SS..Hα-helixtrans-64.3-42.1179172.60000111.4K77 L78 E79 A85 Y152K77-V81 WeakPolarHBondContact O-CG2 3.16Å; K77-V81 PolarHBondContact O-N 3.26Å; L78-V81 PolarHBondContact O-N 3.43Å; L78-V81 VanDerWaalsContact O-N 3.1Å; E79-V81 VanDerWaalsContact C-N 3.34Å; E79-V81 PolarHBondContact O-N 2.82Å; V81-A85 WeakPolarHBondContact O-CB 3.36Å; V81-A85 PolarHBondContact O-N 3.31Å; V81-A85 VanDerWaalsContact O-N 3.1Å; V81-Y152 VanDerWaalsContact CG1-OH 3.25Å; V81-Y152 WeakPolarHBondContact CG1-OH 3.46Å
82V98.6Very high95.7Very high0 Ų053.6 Ų53.60%029%0.294CS..Hα-helixtrans-71.4-45.7-177.4-1800000111.3L78 E79 V80 Q84 A85 F86 L147 Y152 F179 A182L78-V82 HydrophobicContact CD1-CG2 3.86Å; L78-V82 HydrophobicContact CG-CG2 4.19Å; L78-V82 VanDerWaalsContact O-CG2 3.27Å; L78-V82 WeakPolarHBondContact O-CG2 3.4Å; L78-V82 PolarHBondContact O-N 2.9Å; E79-V82 PolarHBondContact O-N 3.48Å; V80-V82 PolarHBondContact O-N 2.9Å; V82-Q84 VanDerWaalsContact C-N 3.28Å; V82-Q84 PolarHBondContact O-N 2.91Å; V82-A85 PolarHBondContact O-N 2.9Å; V82-F86 VanDerWaalsContact O-CB 3.32Å; V82-F86 WeakPolarHBondContact O-CB 3.41Å; V82-F86 PolarHBondContact O-N 3.39Å; V82-L147 HydrophobicContact CG1-CD1 3.83Å; V82-Y152 HydrophobicContact CG1-CD1 4.49Å; V82-Y152 HydrophobicContact CG1-CG 4.22Å; V82-Y152 HydrophobicContact CG2-CD1 3.63Å; V82-Y152 HydrophobicContact CG2-CE1 3.69Å; V82-Y152 HydrophobicContact CG2-CG 4.15Å; V82-F179 HydrophobicContact CB-CB 3.8Å; V82-F179 HydrophobicContact CB-CD2 4.27Å; V82-F179 HydrophobicContact CB-CG 3.98Å; V82-F179 HydrophobicContact CG1-CB 3.71Å; V82-F179 HydrophobicContact CG1-CD1 3.66Å; V82-F179 HydrophobicContact CG1-CD2 4.04Å; V82-F179 HydrophobicContact CG1-CE1 4.29Å; V82-F179 HydrophobicContact CG1-CG 3.51Å; V82-F179 HydrophobicContact CG2-CB 4.24Å; V82-A182 HydrophobicContact CG1-CB 4.23Å; V82-A182 HydrophobicContact CG2-CB 3.89Å
83I98.3Very high96.4Very high2 Ų247.5 Ų47.51%0.0126%0.255CS..Hα-helixtrans-62.9-36.9-179.4-161.1170.8000111.4E79 V80 F86 E87 P93 F95 M107 M109 F179E79-I83 WeakPolarHBondContact O-CB 3.36Å; E79-I83 VanDerWaalsContact O-CG2 3.31Å; E79-I83 WeakPolarHBondContact O-CG2 3.41Å; E79-I83 PolarHBondContact O-N 3.35Å; V80-I83 WeakPolarHBondContact O-CG2 3.41Å; I83-F86 PolarHBondContact O-N 3.2Å; I83-E87 PolarHBondContact O-N 3.3Å; I83-P93 HydrophobicContact CD1-CB 4.29Å; I83-F95 HydrophobicContact CG2-CB 4.19Å; I83-F95 HydrophobicContact CG2-CD2 3.89Å; I83-F95 HydrophobicContact CG2-CG 4.26Å; I83-M107 HydrophobicContact CG2-SD 4.15Å; I83-M109 HydrophobicContact CD1-CB 4.45Å; I83-F179 HydrophobicContact CB-CD2 4.16Å; I83-F179 HydrophobicContact CB-CE2 3.96Å; I83-F179 HydrophobicContact CD1-CE2 4.46Å; I83-F179 HydrophobicContact CG1-CE2 4.01Å
84Q98.1Very high97Very high94 Ų9443.8 Ų43.844%0.43924%0.241SC..Hα-helixtrans-69.1-39.6175.1-70.7-177.4-63.400112.1V80 V82 F86 E87 F95V80-Q84 WeakPolarHBondContact O-CB 3.05Å; V80-Q84 WeakPolarHBondContact O-CG 3.41Å; V80-Q84 PolarHBondContact O-N 2.63Å; V80-Q84 PolarHBondContact O-OE1 3.28Å; V82-Q84 VanDerWaalsContact C-N 3.28Å; V82-Q84 PolarHBondContact O-N 2.91Å; Q84-F86 VanDerWaalsContact C-N 3.26Å; Q84-F86 PolarHBondContact O-N 3.29Å; Q84-E87 WeakPolarHBondContact O-CB 3.44Å; Q84-E87 PolarHBondContact O-N 3.45Å; Q84-F95 HydrophobicContact CG-CD1 3.97Å; Q84-F95 HydrophobicContact CG-CE1 4.18Å; Q84-F95 HydrophobicContact CG-CG 4.25Å
85A98.1Very high97.5Very high40 Ų4043.6 Ų43.633%0.33123%0.23SC..Hα-helixtrans-65.4-31.7174.400000112.4V81 V82 S150 Y152V81-A85 WeakPolarHBondContact O-CB 3.36Å; V81-A85 PolarHBondContact O-N 3.31Å; V81-A85 VanDerWaalsContact O-N 3.1Å; V82-A85 PolarHBondContact O-N 2.9Å; A85-S150 WeakPolarHBondContact O-CB 3.33Å; A85-Y152 HydrophobicContact CB-CD2 4.13Å; A85-Y152 HydrophobicContact CB-CE2 3.69Å
86F98.5Very high97.6Very high1 Ų144.9 Ų44.90%0.00423%0.233CC..THydrogen-bonded Turntrans-89.7-4.7-178.9-175.1-136000113.7V82 I83 Q84 V88 S89 H91 C92 E146 L147 L176 F179V82-F86 VanDerWaalsContact O-CB 3.32Å; V82-F86 WeakPolarHBondContact O-CB 3.41Å; V82-F86 PolarHBondContact O-N 3.39Å; I83-F86 PolarHBondContact O-N 3.2Å; Q84-F86 VanDerWaalsContact C-N 3.26Å; Q84-F86 PolarHBondContact O-N 3.29Å; F86-V88 PolarHBondContact O-N 3.49Å; F86-S89 VanDerWaalsContact CE2-OG 3.24Å; F86-S89 WeakPolarHBondContact CE2-OG 3.32Å; F86-S89 VanDerWaalsContact CZ-OG 3.26Å; F86-S89 WeakPolarHBondContact CZ-OG 3.32Å; F86-S89 WeakPolarHBondContact O-CB 3.29Å; F86-S89 PolarHBondContact O-N 3.46Å; F86-H91 HydrophobicContact CZ-CB 4.23Å; F86-C92 HydrophobicContact CD1-CB 3.39Å; F86-C92 WeakPolarHBondContact CD1-SG 3.46Å; F86-C92 HydrophobicContact CE1-CB 3.55Å; F86-C92 HydrophobicContact CG-CB 3.92Å; F86-C92 HydrophobicContact CZ-CB 4.22Å; F86-C92 VanDerWaalsContact O-CB 3.28Å; F86-C92 WeakPolarHBondContact O-CB 3.1Å; F86-E146 HydrophobicContact CD2-CB 4.49Å; F86-E146 HydrophobicContact CE2-CB 3.76Å; F86-L147 HydrophobicContact CB-CD1 4.14Å; F86-L147 HydrophobicContact CD1-CD1 4.35Å; F86-L147 HydrophobicContact CD2-CB 4.04Å; F86-L147 HydrophobicContact CD2-CD1 4.21Å; F86-L147 HydrophobicContact CE2-CB 3.92Å; F86-L147 VanDerWaalsContact CE2-N 3.33Å; F86-L147 HydrophobicContact CG-CD1 3.99Å; F86-L147 HydrophobicContact CZ-CB 4.37Å; F86-L176 HydrophobicContact CE1-CB 4.19Å; F86-F179 HydrophobicContact CD1-CE1 4.24Å; F86-F179 AromaticContact CD1-CZ 3.69Å; F86-F179 HydrophobicContact CD1-CZ 3.69Å; F86-F179 HydrophobicContact CE1-CZ 4.11Å
87E97.4Very high97.7Very high68 Ų6845.3 Ų45.332%0.31824%0.239SC..THydrogen-bonded Turntrans-60.5-23.2-167.5-176.7167.2-15100115.4I83 Q84 S89 R94I83-E87 PolarHBondContact O-N 3.3Å; Q84-E87 WeakPolarHBondContact O-CB 3.44Å; Q84-E87 PolarHBondContact O-N 3.45Å; E87-S89 PolarHBondContact O-N 3.2Å; E87-R94 PolarHBondContact O-NH1 3.4Å
88V96.6Very high97.8Very high145 Ų14540.9 Ų40.988%0.87923%0.226SC*.THydrogen-bonded Turntrans-67.7-22176.1-61.40000112.7F86F86-V88 PolarHBondContact O-N 3.49Å
89S98.3Very high97.8Very high5 Ų539 Ų394%0.03522%0.222CC..SBendtrans-69.9137.7179.4171.60000112F86 E87 H91 C92 E146F86-S89 VanDerWaalsContact CE2-OG 3.24Å; F86-S89 WeakPolarHBondContact CE2-OG 3.32Å; F86-S89 VanDerWaalsContact CZ-OG 3.26Å; F86-S89 WeakPolarHBondContact CZ-OG 3.32Å; F86-S89 WeakPolarHBondContact O-CB 3.29Å; F86-S89 PolarHBondContact O-N 3.46Å; E87-S89 PolarHBondContact O-N 3.2Å; S89-H91 PolarHBondContact O-N 3.07Å; S89-H91 WeakPolarHBondContact OG-CA 3.39Å; S89-H91 WeakPolarHBondContact OG-CB 3.49Å; S89-H91 PolarHBondContact OG-N 3.41Å; S89-C92 PolarHBondContact O-N 2.93Å; S89-E146 WeakPolarHBondContact CB-OE2 3.22Å; S89-E146 PolarHBondContact OG-OE2 3.32Å
90S97.3Very high97.7Very high69 Ų6943.3 Ų43.348%0.48324%0.241SC..THydrogen-bonded Turntrans-68.7-15.5169.272.10000113.1L175S90-L175 WeakPolarHBondContact O-CD2 3.17Å
91H98.6Very high97.5Very high14 Ų1446.7 Ų46.77%0.06525%0.253CS..THydrogen-bonded Turntrans-94.96.4176.6-60-67.9000113F86 S89 A143 E146 I174 L175 L176F86-H91 HydrophobicContact CZ-CB 4.23Å; S89-H91 PolarHBondContact O-N 3.07Å; S89-H91 WeakPolarHBondContact OG-CA 3.39Å; S89-H91 WeakPolarHBondContact OG-CB 3.49Å; S89-H91 PolarHBondContact OG-N 3.41Å; H91-A143 HydrophobicContact CB-CB 3.47Å; H91-A143 VanDerWaalsContact CB-CB 3.47Å; H91-E146 IonicContact CD2-OE2 3.26Å; H91-I174 PolarHBondContact ND1-O 3.21Å; H91-L175 CarbonylContact O-C 3.45Å; H91-L175 VanDerWaalsContact O-CA 3.28Å; H91-L175 WeakPolarHBondContact O-CA 3.35Å; H91-L176 PolarHBondContact O-N 3.34Å
92C98.5Very high97.2Very high3 Ų345.9 Ų45.92%0.0226%0.259CS..SBendtrans-97.7129176-173.40000111.8F86 S89F86-C92 HydrophobicContact CD1-CB 3.39Å; F86-C92 WeakPolarHBondContact CD1-SG 3.46Å; F86-C92 HydrophobicContact CE1-CB 3.55Å; F86-C92 HydrophobicContact CG-CB 3.92Å; F86-C92 HydrophobicContact CZ-CB 4.22Å; F86-C92 VanDerWaalsContact O-CB 3.28Å; F86-C92 WeakPolarHBondContact O-CB 3.1Å; S89-C92 PolarHBondContact O-N 2.93Å
93P97.9Very high96.9Very high1 Ų149.5 Ų49.51%0.00628%0.278CS..PPolyproline II helixtrans-57.6137.4167.1-21.931.5000111.4I83 F95 Q110 L112 L175 L176 F177I83-P93 HydrophobicContact CD1-CB 4.29Å; P93-F95 PolarHBondContact O-N 3.11Å; P93-Q110 HydrophobicContact CB-CB 4.34Å; P93-L112 HydrophobicContact CB-CD1 4.44Å; P93-L112 HydrophobicContact CB-CD2 4.07Å; P93-L112 HydrophobicContact CG-CD1 3.95Å; P93-L112 HydrophobicContact CG-CD2 4.2Å; P93-L175 HydrophobicContact CG-CB 4.27Å; P93-L176 WeakPolarHBondContact CD-O 3.42Å; P93-F177 HydrophobicContact CG-CB 3.9Å
94R97.5Very high96.7Very high112 Ų11249.4 Ų49.442%0.42328%0.278SS..PPolyproline II helixtrans-64.4132.8178.1-60.8-60.5-173.1-172.7-4.3111.9E87 Y96 M109 Q110E87-R94 PolarHBondContact O-NH1 3.4Å; R94-Y96 HydrophobicContact CB-CD1 4.28Å; R94-Y96 HydrophobicContact CB-CE1 3.45Å; R94-Y96 VanDerWaalsContact CB-CE1 3.45Å; R94-Y96 HydrophobicContact CG-CE1 4.44Å; R94-M109 CarbonylContact O-C 3.58Å; R94-M109 WeakPolarHBondContact O-CA 3.28Å; R94-M109 WeakPolarHBondContact O-CB 3.3Å; R94-Q110 HydrophobicContact CB-CB 4.16Å; R94-Q110 PolarHBondContact O-N 3.25Å
95F98Very high96.6Very high32 Ų3246 Ų4614%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-89.4134.3172.2175-102.4000110.4V80 I83 Q84 P93 G97 C98 M107V80-F95 HydrophobicContact CG1-CE2 4.02Å; V80-F95 HydrophobicContact CG1-CZ 4.01Å; V80-F95 HydrophobicContact CG2-CE2 4.17Å; I83-F95 HydrophobicContact CG2-CB 4.19Å; I83-F95 HydrophobicContact CG2-CD2 3.89Å; I83-F95 HydrophobicContact CG2-CG 4.26Å; Q84-F95 HydrophobicContact CG-CD1 3.97Å; Q84-F95 HydrophobicContact CG-CE1 4.18Å; Q84-F95 HydrophobicContact CG-CG 4.25Å; P93-F95 PolarHBondContact O-N 3.11Å; F95-G97 WeakPolarHBondContact CE2-O 3.37Å; F95-G97 VanDerWaalsContact CZ-CA 3.48Å; F95-C98 HydrophobicContact CE2-CB 4.12Å; F95-C98 HydrophobicContact CZ-CB 4Å; F95-M107 HydrophobicContact CD2-CG 4.13Å; F95-M107 HydrophobicContact CD2-SD 4.41Å; F95-M107 HydrophobicContact CE2-CG 3.96Å; F95-M107 HydrophobicContact CE2-SD 4.49Å
96Y97.7Very high96.5Very high49 Ų4944.2 Ų44.219%0.19225%0.247CC..EExtended strand (participates in β ladder)trans-118.7-14.5-177.3-58.7-35.5000114.2R60 V62 R94 V108 Q110R60-Y96 VanDerWaalsContact NH1-CE1 3.33Å; R60-Y96 PolarHBondContact NH1-OH 3.39Å; V62-Y96 HydrophobicContact CB-CD2 4.17Å; V62-Y96 HydrophobicContact CB-CE2 4.36Å; V62-Y96 HydrophobicContact CG1-CD2 3.56Å; V62-Y96 HydrophobicContact CG1-CE2 3.65Å; R94-Y96 HydrophobicContact CB-CD1 4.28Å; R94-Y96 HydrophobicContact CB-CE1 3.45Å; R94-Y96 VanDerWaalsContact CB-CE1 3.45Å; R94-Y96 HydrophobicContact CG-CE1 4.44Å; Y96-V108 HydrophobicContact CD2-CG1 4.22Å; Y96-V108 PolarHBondContact N-O 2.92Å; Y96-Q110 HydrophobicContact CE2-CB 4.42Å
97G97.2Very high96.4Very high14 Ų1444.2 Ų44.214%0.14425%0.248CC..EExtended strand (participates in β ladder)trans153.3170.1175.300000112.7F95 V108F95-G97 WeakPolarHBondContact CE2-O 3.37Å; F95-G97 VanDerWaalsContact CZ-CA 3.48Å; G97-V108 PolarHBondContact N-O 3.1Å; G97-V108 PolarHBondContact O-N 2.92Å
98C97.5Very high96.5Very high57 Ų5741 Ų4139%0.38523%0.232SC..EExtended strand (participates in β ladder)trans-145.1171.4173.863.30000110V80 F95 Y106V80-C98 HydrophobicContact CG1-CB 4.48Å; V80-C98 HydrophobicContact CG2-CB 3.9Å; F95-C98 HydrophobicContact CE2-CB 4.12Å; F95-C98 HydrophobicContact CZ-CB 4Å; C98-Y106 CarbonylContact C-O 3.57Å; C98-Y106 WeakPolarHBondContact CA-O 3.28Å; C98-Y106 VanDerWaalsContact CB-O 3.26Å; C98-Y106 WeakPolarHBondContact CB-O 3.34Å
99G96.7Very high96.5Very high22 Ų2234.9 Ų34.923%0.22719%0.194CC..EExtended strand (participates in β ladder)trans172.5-161.1174.200000113.2L105 Y106G99-L105 WeakPolarHBondContact O-CA 3.49Å; G99-Y106 VanDerWaalsContact C-CD1 3.46Å; G99-Y106 VanDerWaalsContact CA-CE1 3.49Å; G99-Y106 PolarHBondContact N-O 3.12Å; G99-Y106 WeakPolarHBondContact O-CD1 3.38Å; G99-Y106 PolarHBondContact O-N 3.39Å
100Q95.5Very high96.5Very high93 Ų9335.4 Ų35.444%0.43520%0.196SC..EExtended strand (participates in β ladder)trans-120.6139.9175-169.9-175.2-38.200109.1G102 A104 L105Q100-G102 WeakPolarHBondContact CG-O 3.41Å; Q100-G102 PolarHBondContact NE2-O 2.83Å; Q100-A104 CarbonylContact C-O 3.51Å; Q100-A104 VanDerWaalsContact CA-O 3.24Å; Q100-A104 WeakPolarHBondContact CA-O 3.36Å; Q100-A104 WeakPolarHBondContact CG-O 3.29Å; Q100-L105 HydrophobicContact CB-CD2 4.26Å; Q100-L105 HydrophobicContact CG-CD2 4.28Å
101W93.8Very high96.5Very high86 Ų8633.2 Ų33.233%0.32618%0.179SC..EExtended strand (participates in β ladder)trans-133.5107.4173.3179.6-96.2000108.5I26 L31 I32 D103 A104 Y106I26-W101 HydrophobicContact CD1-CB 4.49Å; I26-W101 HydrophobicContact CD1-CG 4.5Å; L31-W101 WeakPolarHBondContact O-CH2 3.4Å; I32-W101 HydrophobicContact CB-CE3 4.28Å; I32-W101 HydrophobicContact CG1-CD2 4.15Å; I32-W101 HydrophobicContact CG1-CE3 4.32Å; I32-W101 HydrophobicContact CG1-CG 4.35Å; I32-W101 HydrophobicContact CG2-CD2 4.48Å; I32-W101 HydrophobicContact CG2-CE3 4Å; W101-D103 PolarHBondContact O-N 2.94Å; W101-A104 PolarHBondContact N-O 3.32Å; W101-A104 VanDerWaalsContact O-CB 3.29Å; W101-A104 WeakPolarHBondContact O-CB 3.32Å; W101-A104 PolarHBondContact O-N 3.21Å; W101-Y106 HydrophobicContact CB-CD1 4.08Å; W101-Y106 HydrophobicContact CB-CE1 4.32Å
102G91.5Very high96.4Very high56 Ų5634 Ų3458%0.57718%0.184SC*.THydrogen-bonded Turntrans55.7-124.3-169.500000111.5Q100 A104Q100-G102 WeakPolarHBondContact CG-O 3.41Å; Q100-G102 PolarHBondContact NE2-O 2.83Å; G102-A104 VanDerWaalsContact C-N 3.29Å
103D91.6Very high96.2Very high76 Ų7634.5 Ų34.541%0.40619%0.19SC..THydrogen-bonded Turntrans-89.912.4177.2-59.3-36.3000113.3K23 K69 W101K23-D103 IonicContact NZ-OD2 2.95Å; K23-D103 PolarHBondContact NZ-OD2 3.01Å; K69-D103 WeakPolarHBondContact CB-O 3.45Å; K69-D103 PolarHBondContact N-O 3.19Å; W101-D103 PolarHBondContact O-N 2.94Å
104A93.7Very high96.1Very high0 Ų035.2 Ų35.20%019%0.194CC..EExtended strand (participates in β ladder)trans-110.2137.1-176.400000111.5L25 I26 V66 E67 Q100 W101 G102L25-A104 HydrophobicContact CB-CB 3.93Å; L25-A104 HydrophobicContact CD1-CB 4.33Å; L25-A104 HydrophobicContact CD2-CB 4.34Å; L25-A104 HydrophobicContact CG-CB 4.43Å; I26-A104 HydrophobicContact CD1-CB 4.49Å; I26-A104 HydrophobicContact CG1-CB 4.42Å; V66-A104 HydrophobicContact CG1-CB 3.67Å; E67-A104 CarbonylContact O-C 3.54Å; E67-A104 WeakPolarHBondContact O-CA 3.3Å; Q100-A104 CarbonylContact C-O 3.51Å; Q100-A104 VanDerWaalsContact CA-O 3.24Å; Q100-A104 WeakPolarHBondContact CA-O 3.36Å; Q100-A104 WeakPolarHBondContact CG-O 3.29Å; W101-A104 PolarHBondContact N-O 3.32Å; W101-A104 VanDerWaalsContact O-CB 3.29Å; W101-A104 WeakPolarHBondContact O-CB 3.32Å; W101-A104 PolarHBondContact O-N 3.21Å; G102-A104 VanDerWaalsContact C-N 3.29Å
105L95.8Very high96.1Very high23 Ų2330.4 Ų30.412%0.1218%0.177CC..EExtended strand (participates in β ladder)trans-89.1142.1161.2-61176.5000108.4V66 E67 K69 L76 K77 G99 Q100V66-L105 VanDerWaalsContact CA-O 3.31Å; V66-L105 WeakPolarHBondContact CA-O 3.31Å; E67-L105 HydrophobicContact CG-CB 4.16Å; E67-L105 PolarHBondContact N-O 2.76Å; E67-L105 PolarHBondContact O-N 3.36Å; K69-L105 HydrophobicContact CB-CG 4.25Å; L76-L105 HydrophobicContact CD2-CB 3.96Å; L76-L105 WeakPolarHBondContact CD2-O 3.21Å; K77-L105 HydrophobicContact CG-CD1 4.29Å; G99-L105 WeakPolarHBondContact O-CA 3.49Å; Q100-L105 HydrophobicContact CB-CD2 4.26Å; Q100-L105 HydrophobicContact CG-CD2 4.28Å
106Y96.6Very high96.1Very high2 Ų228.9 Ų28.91%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-134.3148.217873.1-93.5000112.5I32 K33 W36 I64 K65 C98 G99 W101 V108I32-Y106 HydrophobicContact CG2-CD1 4.23Å; I32-Y106 HydrophobicContact CG2-CE1 3.67Å; I32-Y106 HydrophobicContact CG2-CE2 4.1Å; K33-Y106 WeakPolarHBondContact CD-OH 3.32Å; K33-Y106 WeakPolarHBondContact CE-OH 3.46Å; K33-Y106 PolarHBondContact NZ-OH 2.91Å; W36-Y106 HydrophobicContact CE3-CE2 4.18Å; W36-Y106 HydrophobicContact CH2-CE2 4.38Å; W36-Y106 AromaticContact CZ3-CE2 3.73Å; W36-Y106 HydrophobicContact CZ3-CE2 3.73Å; I64-Y106 HydrophobicContact CG2-CD2 4.44Å; K65-Y106 CarbonylContact O-C 3.58Å; K65-Y106 VanDerWaalsContact O-CA 3.26Å; K65-Y106 WeakPolarHBondContact O-CA 3.26Å; C98-Y106 CarbonylContact C-O 3.57Å; C98-Y106 WeakPolarHBondContact CA-O 3.28Å; C98-Y106 VanDerWaalsContact CB-O 3.26Å; C98-Y106 WeakPolarHBondContact CB-O 3.34Å; G99-Y106 VanDerWaalsContact C-CD1 3.46Å; G99-Y106 VanDerWaalsContact CA-CE1 3.49Å; G99-Y106 PolarHBondContact N-O 3.12Å; G99-Y106 WeakPolarHBondContact O-CD1 3.38Å; G99-Y106 PolarHBondContact O-N 3.39Å; W101-Y106 HydrophobicContact CB-CD1 4.08Å; W101-Y106 HydrophobicContact CB-CE1 4.32Å; Y106-V108 HydrophobicContact CD2-CG2 3.7Å; Y106-V108 HydrophobicContact CE2-CG2 3.75Å
107M97.6Very high96Very high2 Ų226.8 Ų26.81%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-126.5126.8171.5177174.368.800108.4I64 K65 L76 E79 V80 I83 F95 M109I64-M107 CarbonylContact C-O 3.43Å; I64-M107 WeakPolarHBondContact CA-O 3.46Å; K65-M107 HydrophobicContact CB-CE 4.43Å; K65-M107 HydrophobicContact CD-CE 4.36Å; K65-M107 PolarHBondContact N-O 3.1Å; K65-M107 PolarHBondContact O-N 3.3Å; L76-M107 HydrophobicContact CD1-CB 3.73Å; L76-M107 HydrophobicContact CD1-CE 4.1Å; L76-M107 HydrophobicContact CD2-CB 4.27Å; L76-M107 HydrophobicContact CG-CB 4.04Å; E79-M107 HydrophobicContact CB-CE 4.2Å; E79-M107 HydrophobicContact CB-SD 4.38Å; V80-M107 HydrophobicContact CG2-CB 4.07Å; V80-M107 HydrophobicContact CG2-CG 3.93Å; V80-M107 HydrophobicContact CG2-SD 3.69Å; I83-M107 HydrophobicContact CG2-SD 4.15Å; F95-M107 HydrophobicContact CD2-CG 4.13Å; F95-M107 HydrophobicContact CD2-SD 4.41Å; F95-M107 HydrophobicContact CE2-CG 3.96Å; F95-M107 HydrophobicContact CE2-SD 4.49Å; M107-M109 HydrophobicContact CE-CE 4.5Å; M107-M109 HydrophobicContact CE-SD 3.8Å
108V98.3Very high96Very high0 Ų030.3 Ų30.30%018%0.177CC..EExtended strand (participates in β ladder)trans-102.6123.6177.2-1690000108.3W36 V62 A63 I64 Y96 G97 Y106W36-V108 HydrophobicContact CD2-CG1 4.44Å; W36-V108 HydrophobicContact CD2-CG2 3.9Å; W36-V108 HydrophobicContact CE3-CG2 4.06Å; W36-V108 HydrophobicContact CG-CG1 4.49Å; W36-V108 HydrophobicContact CG-CG2 4.47Å; W36-V108 HydrophobicContact CH2-CG2 4.06Å; W36-V108 HydrophobicContact CZ2-CB 4.28Å; W36-V108 HydrophobicContact CZ2-CG1 4.32Å; W36-V108 HydrophobicContact CZ2-CG2 3.91Å; W36-V108 HydrophobicContact CZ3-CG2 4.15Å; V62-V108 HydrophobicContact CB-CG1 3.9Å; V62-V108 HydrophobicContact CG1-CG1 4.35Å; V62-V108 HydrophobicContact CG2-CG1 3.66Å; A63-V108 WeakPolarHBondContact O-CA 3.29Å; I64-V108 HydrophobicContact CD1-CG1 4.5Å; I64-V108 HydrophobicContact CD1-CG2 4.08Å; I64-V108 HydrophobicContact CG1-CB 4.5Å; I64-V108 HydrophobicContact CG1-CG1 4.17Å; I64-V108 HydrophobicContact CG1-CG2 4.12Å; Y96-V108 HydrophobicContact CD2-CG1 4.22Å; Y96-V108 PolarHBondContact N-O 2.92Å; G97-V108 PolarHBondContact N-O 3.1Å; G97-V108 PolarHBondContact O-N 2.92Å; Y106-V108 HydrophobicContact CD2-CG2 3.7Å; Y106-V108 HydrophobicContact CE2-CG2 3.75Å
109M98Very high95.9Very high16 Ų1628.3 Ų28.38%0.07916%0.162CC..EExtended strand (participates in β ladder)trans-139.9172.2-178.464.2-175.617300111.4A63 K65 I83 R94 M107 L111A63-M109 HydrophobicContact CB-CE 4.18Å; A63-M109 HydrophobicContact CB-CG 4.04Å; A63-M109 PolarHBondContact N-O 3.07Å; A63-M109 PolarHBondContact O-N 2.81Å; K65-M109 HydrophobicContact CB-CE 4.43Å; I83-M109 HydrophobicContact CD1-CB 4.45Å; R94-M109 CarbonylContact O-C 3.58Å; R94-M109 WeakPolarHBondContact O-CA 3.28Å; R94-M109 WeakPolarHBondContact O-CB 3.3Å; M107-M109 HydrophobicContact CE-CE 4.5Å; M107-M109 HydrophobicContact CE-SD 3.8Å; M109-L111 PolarHBondContact O-N 3.1Å
110Q97.3Very high96Very high16 Ų1628.3 Ų28.38%0.07516%0.155CC..EExtended strand (participates in β ladder)trans-49.6131.2172.5-176.21734.500111P93 R94 Y96 L112P93-Q110 HydrophobicContact CB-CB 4.34Å; R94-Q110 HydrophobicContact CB-CB 4.16Å; R94-Q110 PolarHBondContact O-N 3.25Å; Y96-Q110 HydrophobicContact CE2-CB 4.42Å; Q110-L112 HydrophobicContact CB-CD2 4.31Å; Q110-L112 HydrophobicContact CG-CD2 4.09Å; Q110-L112 PolarHBondContact O-N 3.09Å
111L97.4Very high96Very high23 Ų2330.8 Ų30.812%0.1216%0.16CC..PPolyproline II helixtrans-68.7122.2167.2-173.267.3000108.3I42 R52 D61 A63 M109 L166I42-L111 HydrophobicContact CD1-CD1 3.66Å; R52-L111 HydrophobicContact CB-CD1 4.45Å; R52-L111 HydrophobicContact CG-CD1 4.43Å; R52-L111 HydrophobicContact CG-CD2 4.14Å; D61-L111 HydrophobicContact CB-CD2 3.87Å; A63-L111 HydrophobicContact CB-CD1 4.07Å; M109-L111 PolarHBondContact O-N 3.1Å; L111-L166 HydrophobicContact CB-CD1 4.06Å; L111-L166 HydrophobicContact CD2-CD1 3.74Å; L111-L166 HydrophobicContact CG-CD1 3.65Å; L111-L166 WeakPolarHBondContact O-CD1 3.23Å
112L96.5Very high96.1Very high31 Ų3131.6 Ų31.616%0.16217%0.167CC..PPolyproline II helixtrans-95.5155.9-178.3-56.9-176.7000111.1P93 Q110 A163 L175 F177P93-L112 HydrophobicContact CB-CD1 4.44Å; P93-L112 HydrophobicContact CB-CD2 4.07Å; P93-L112 HydrophobicContact CG-CD1 3.95Å; P93-L112 HydrophobicContact CG-CD2 4.2Å; Q110-L112 HydrophobicContact CB-CD2 4.31Å; Q110-L112 HydrophobicContact CG-CD2 4.09Å; Q110-L112 PolarHBondContact O-N 3.09Å; L112-A163 HydrophobicContact CB-CB 4.01Å; L112-A163 HydrophobicContact CD1-CB 4.1Å; L112-L175 HydrophobicContact CD2-CB 4.38Å; L112-L175 HydrophobicContact CD2-CD1 3.47Å; L112-L175 VanDerWaalsContact CD2-CD1 3.47Å; L112-F177 HydrophobicContact CD1-CB 4.05Å; L112-F177 HydrophobicContact CD1-CD1 3.85Å; L112-F177 HydrophobicContact CD1-CD2 4.47Å; L112-F177 HydrophobicContact CD1-CE1 4.42Å; L112-F177 HydrophobicContact CD1-CG 3.88Å
113G95.1Very high96.4Very high14 Ų1429.8 Ų29.814%0.14414%0.144CC..  trans-75.4-166.4170.400000111.7L164 L166G113-L164 WeakPolarHBondContact CA-O 3.35Å; G113-L164 PolarHBondContact N-O 3.42Å; G113-L166 VanDerWaalsContact CA-CD2 3.46Å
114P94.8Very high96.6Very high15 Ų1531 Ų3110%0.09716%0.156CC..  trans-62.7143.2177.824-31.6000111.1Q118 R119 L164 P318P114-Q118 HydrophobicContact CB-CB 4.27Å; P114-R119 HydrophobicContact CB-CG 4.29Å; P114-R119 HydrophobicContact CG-CG 4.14Å; P114-L164 PolarHBondContact O-N 2.88Å; P114-L164 VanDerWaalsContact O-N 3.15Å; P114-P318 HydrophobicContact CG-CB 4.41Å
115S96.7Very high96.7Very high11 Ų1138.7 Ų38.78%0.07719%0.192CC..BIsolated β-bridgetrans-60.8150.6168.163.10000110.8G117 Q118 R119 M162S115-G117 PolarHBondContact O-N 3.38Å; S115-Q118 WeakPolarHBondContact O-CA 3.42Å; S115-Q118 WeakPolarHBondContact O-CB 3.28Å; S115-Q118 PolarHBondContact O-N 3.41Å; S115-Q118 VanDerWaalsContact OG-CG 3.32Å; S115-Q118 WeakPolarHBondContact OG-CG 3.45Å; S115-Q118 PolarHBondContact OG-N 3.04Å; S115-Q118 VanDerWaalsContact OG-N 3.14Å; S115-Q118 PolarHBondContact OG-OE1 2.95Å; S115-R119 PolarHBondContact O-N 3.17Å; S115-M162 CarbonylContact C-O 3.43Å; S115-M162 VanDerWaalsContact CA-O 3.24Å; S115-M162 WeakPolarHBondContact CA-O 3.44Å
116L97.9Very high96.8Very high0 Ų042.9 Ų42.90%021%0.209CC..Hα-helixtrans-60.4-27.9172.5-61.9180000111.1Q118 R119 R120 M140 L159 M162 L164 I174 W312L116-Q118 VanDerWaalsContact C-N 3.35Å; L116-R119 PolarHBondContact O-N 3.43Å; L116-R120 VanDerWaalsContact O-CB 3.3Å; L116-R120 WeakPolarHBondContact O-CB 3.37Å; L116-R120 PolarHBondContact O-N 2.87Å; L116-M140 HydrophobicContact CD1-CE 3.28Å; L116-L159 HydrophobicContact CB-CB 4.05Å; L116-L159 HydrophobicContact CB-CD2 3.82Å; L116-L159 HydrophobicContact CB-CG 4.44Å; L116-L159 HydrophobicContact CD1-CD2 4.12Å; L116-L159 PolarHBondContact N-O 3.27Å; L116-M162 HydrophobicContact CD1-CB 3.8Å; L116-M162 HydrophobicContact CD1-SD 4.5Å; L116-M162 HydrophobicContact CG-CB 4.21Å; L116-M162 PolarHBondContact N-O 2.87Å; L116-L164 HydrophobicContact CD2-CD2 3.82Å; L116-L164 HydrophobicContact CD2-CG 4.07Å; L116-I174 HydrophobicContact CD1-CD1 3.72Å; L116-I174 HydrophobicContact CD1-CG1 3.99Å; L116-I174 HydrophobicContact CD1-CG2 3.93Å; L116-I174 HydrophobicContact CD2-CG1 4.38Å; L116-W312 HydrophobicContact CD2-CE3 4.37Å; L116-W312 HydrophobicContact CD2-CH2 3.99Å; L116-W312 HydrophobicContact CD2-CZ2 4.43Å; L116-W312 HydrophobicContact CD2-CZ3 3.95Å
117G97.1Very high96.8Very high6 Ų646.3 Ų46.36%0.06223%0.226CC..Hα-helixtrans-66.4-34.6173.500000113S115 R121 L159S115-G117 PolarHBondContact O-N 3.38Å; G117-R121 WeakPolarHBondContact O-CG 3.23Å; G117-R121 PolarHBondContact O-N 2.99Å; G117-R121 PolarHBondContact O-NE 3.24Å; G117-L159 PolarHBondContact N-O 3Å
118Q96.1Very high96.9Very high87 Ų8746.4 Ų46.441%0.40723%0.226SC..Hα-helixtrans-69.6-48.3171.3-75.6160.7-53.600110.8P114 S115 L116 R120 R121 Q122P114-Q118 HydrophobicContact CB-CB 4.27Å; S115-Q118 WeakPolarHBondContact O-CA 3.42Å; S115-Q118 WeakPolarHBondContact O-CB 3.28Å; S115-Q118 PolarHBondContact O-N 3.41Å; S115-Q118 VanDerWaalsContact OG-CG 3.32Å; S115-Q118 WeakPolarHBondContact OG-CG 3.45Å; S115-Q118 PolarHBondContact OG-N 3.04Å; S115-Q118 VanDerWaalsContact OG-N 3.14Å; S115-Q118 PolarHBondContact OG-OE1 2.95Å; L116-Q118 VanDerWaalsContact C-N 3.35Å; Q118-R120 PolarHBondContact O-N 3.39Å; Q118-R121 PolarHBondContact O-N 3.14Å; Q118-Q122 PolarHBondContact O-N 2.96Å
119R96.8Very high96.9Very high16 Ų1649.9 Ų49.96%0.0625%0.247CC..Hα-helixtrans-59-46.7178.5-68.2-57.5-162.4-1712.3111.9P114 S115 L116 R121 Q122 M123 F128 L164 W312 P316P114-R119 HydrophobicContact CB-CG 4.29Å; P114-R119 HydrophobicContact CG-CG 4.14Å; S115-R119 PolarHBondContact O-N 3.17Å; L116-R119 PolarHBondContact O-N 3.43Å; R119-R121 VanDerWaalsContact C-N 3.29Å; R119-R121 PolarHBondContact O-N 3.44Å; R119-Q122 WeakPolarHBondContact O-CB 3.3Å; R119-Q122 PolarHBondContact O-N 3.4Å; R119-M123 PolarHBondContact O-N 2.96Å; R119-F128 HydrophobicContact CB-CE1 4.31Å; R119-F128 HydrophobicContact CB-CZ 4.13Å; R119-L164 HydrophobicContact CG-CD1 4.15Å; R119-W312 HydrophobicContact CB-CB 4.14Å; R119-W312 HydrophobicContact CB-CE3 4.46Å; R119-W312 HydrophobicContact CG-CB 3.91Å; R119-W312 HydrophobicContact CG-CG 4.4Å; R119-P316 PolarHBondContact NH1-O 2.8Å; R119-P316 VanDerWaalsContact NH1-O 3.11Å
120R97.1Very high96.9Very high21 Ų2152 Ų528%0.07926%0.259CS..Hα-helixtrans-57.5-40.7177-170.7179.170.691.1-12.8112.3L116 Q118 Q122 M123 K126 F128 L159 E233 G237L116-R120 VanDerWaalsContact O-CB 3.3Å; L116-R120 WeakPolarHBondContact O-CB 3.37Å; L116-R120 PolarHBondContact O-N 2.87Å; Q118-R120 PolarHBondContact O-N 3.39Å; R120-Q122 PolarHBondContact O-N 3.37Å; R120-M123 WeakPolarHBondContact O-CB 2.9Å; R120-M123 PolarHBondContact O-N 3.5Å; R120-M123 VanDerWaalsContact O-N 3.11Å; R120-K126 WeakPolarHBondContact CD-O 3.15Å; R120-K126 WeakPolarHBondContact CG-O 3.45Å; R120-K126 PolarHBondContact NH1-O 2.95Å; R120-K126 VanDerWaalsContact O-CA 3.28Å; R120-K126 WeakPolarHBondContact O-CA 3.18Å; R120-F128 VanDerWaalsContact CA-CZ 3.49Å; R120-F128 HydrophobicContact CB-CD2 4.47Å; R120-F128 HydrophobicContact CB-CE1 4.03Å; R120-F128 HydrophobicContact CB-CE2 3.79Å; R120-F128 HydrophobicContact CB-CZ 3.53Å; R120-F128 HydrophobicContact CG-CD2 4.4Å; R120-F128 HydrophobicContact CG-CE2 4.19Å; R120-F128 HydrophobicContact CG-CZ 4.26Å; R120-L159 HydrophobicContact CB-CD1 4.33Å; R120-E233 IonicContact CZ-OE2 3.74Å; R120-E233 IonicContact NE-OE2 3.53Å; R120-E233 IonicContact NH2-OE1 3.43Å; R120-E233 PolarHBondContact NH2-OE1 3.42Å; R120-E233 IonicContact NH2-OE2 3.68Å; R120-E233 PolarHBondContact NH2-OE2 3.15Å; R120-G237 PolarHBondContact NH1-O 2.71Å; R120-G237 VanDerWaalsContact NH1-O 3.1Å
121R96.3Very high96.9Very high146 Ų14652 Ų5255%0.55126%0.26SS*.Hα-helixtrans-65.9-21.2179.2-78.9-172.6-64.7-107.23.6113.7G117 Q118 R119G117-R121 WeakPolarHBondContact O-CG 3.23Å; G117-R121 PolarHBondContact O-N 2.99Å; G117-R121 PolarHBondContact O-NE 3.24Å; Q118-R121 PolarHBondContact O-N 3.14Å; R119-R121 VanDerWaalsContact C-N 3.29Å; R119-R121 PolarHBondContact O-N 3.44Å
122Q96.3Very high97Very high103 Ų10350.9 Ų50.948%0.48126%0.255SS..Hα-helixtrans-86.2-10.1176.9-67.2170.9-16.700112.3Q118 R119 R120 L315Q118-Q122 PolarHBondContact O-N 2.96Å; R119-Q122 WeakPolarHBondContact O-CB 3.3Å; R119-Q122 PolarHBondContact O-N 3.4Å; R120-Q122 PolarHBondContact O-N 3.37Å; Q122-L315 HydrophobicContact CB-CD1 3.91Å; Q122-L315 HydrophobicContact CB-CD2 4.1Å
123M96.6Very high97.1Very high18 Ų1849.4 Ų49.49%0.08925%0.247CC..SBendtrans-81.1153.3178.2-59.3-62.298.100112.5R119 R120 H125 K126 M127 F128 D311 L315R119-M123 PolarHBondContact O-N 2.96Å; R120-M123 WeakPolarHBondContact O-CB 2.9Å; R120-M123 PolarHBondContact O-N 3.5Å; R120-M123 VanDerWaalsContact O-N 3.11Å; M123-H125 PolarHBondContact O-N 2.89Å; M123-K126 PolarHBondContact O-N 2.84Å; M123-M127 WeakPolarHBondContact CB-O 3.39Å; M123-M127 WeakPolarHBondContact CG-O 3.34Å; M123-F128 HydrophobicContact CG-CD1 3.6Å; M123-F128 HydrophobicContact CG-CE1 3.67Å; M123-F128 HydrophobicContact SD-CD1 4.27Å; M123-F128 HydrophobicContact SD-CE1 4.38Å; M123-D311 HydrophobicContact SD-CB 3.36Å; M123-D311 WeakPolarHBondContact SD-CB 3.26Å; M123-L315 HydrophobicContact CE-CD1 3.17Å; M123-L315 HydrophobicContact CE-CD2 3.66Å; M123-L315 HydrophobicContact CE-CG 3.55Å
124P96Very high97.2Very high101 Ų10148.8 Ų48.866%0.65624%0.24SC*.G310 helixtrans-49.7133.1167.7-26.135.2000111.4K126 M127P124-K126 PolarHBondContact O-N 3.5Å; P124-M127 PolarHBondContact O-N 3.28Å
125H96.4Very high97.4Very high162 Ų16248.1 Ų48.175%0.7524%0.236SC*.G310 helixtrans54.312.9-177.9-52.9-71.1000115.6M123 M127M123-H125 PolarHBondContact O-N 2.89Å; H125-M127 HydrophobicContact CB-CG 4.22Å; H125-M127 HydrophobicContact CB-SD 3.66Å; H125-M127 PolarHBondContact O-N 3.14Å
126K97.2Very high97.5Very high110 Ų11047.6 Ų47.648%0.47823%0.232SC..G310 helixtrans5834.4-172.1-48.9177.1-179.9173.60112.7R120 M123 P124R120-K126 WeakPolarHBondContact CD-O 3.15Å; R120-K126 WeakPolarHBondContact CG-O 3.45Å; R120-K126 PolarHBondContact NH1-O 2.95Å; R120-K126 VanDerWaalsContact O-CA 3.28Å; R120-K126 WeakPolarHBondContact O-CA 3.18Å; M123-K126 PolarHBondContact O-N 2.84Å; P124-K126 PolarHBondContact O-N 3.5Å
127M98.1Very high97.5Very high74 Ų7447.6 Ų47.637%0.36523%0.232SC..  trans-111141179.4-70160.367.400109.7M123 P124 H125 M234 I235 G237M123-M127 WeakPolarHBondContact CB-O 3.39Å; M123-M127 WeakPolarHBondContact CG-O 3.34Å; P124-M127 PolarHBondContact O-N 3.28Å; H125-M127 HydrophobicContact CB-CG 4.22Å; H125-M127 HydrophobicContact CB-SD 3.66Å; H125-M127 PolarHBondContact O-N 3.14Å; M127-M234 CarbonylContact C-O 3.52Å; M127-M234 WeakPolarHBondContact CA-O 3.37Å; M127-I235 WeakPolarHBondContact CE-O 3.33Å; M127-G237 VanDerWaalsContact CG-CA 3.49Å
128F98.3Very high97.6Very high5 Ų548.1 Ų48.12%0.02223%0.234CC..  trans-85.7152.5159.4-68.9-44.9000109.5R119 R120 M123 T132 S133 M234 D311 W312R119-F128 HydrophobicContact CB-CE1 4.31Å; R119-F128 HydrophobicContact CB-CZ 4.13Å; R120-F128 VanDerWaalsContact CA-CZ 3.49Å; R120-F128 HydrophobicContact CB-CD2 4.47Å; R120-F128 HydrophobicContact CB-CE1 4.03Å; R120-F128 HydrophobicContact CB-CE2 3.79Å; R120-F128 HydrophobicContact CB-CZ 3.53Å; R120-F128 HydrophobicContact CG-CD2 4.4Å; R120-F128 HydrophobicContact CG-CE2 4.19Å; R120-F128 HydrophobicContact CG-CZ 4.26Å; M123-F128 HydrophobicContact CG-CD1 3.6Å; M123-F128 HydrophobicContact CG-CE1 3.67Å; M123-F128 HydrophobicContact SD-CD1 4.27Å; M123-F128 HydrophobicContact SD-CE1 4.38Å; F128-T132 HydrophobicContact CB-CG2 3.67Å; F128-T132 HydrophobicContact CD1-CG2 3.82Å; F128-T132 HydrophobicContact CD2-CG2 4.15Å; F128-T132 HydrophobicContact CG-CG2 3.64Å; F128-S133 WeakPolarHBondContact CB-OG 3.24Å; F128-M234 HydrophobicContact CD2-CB 4.04Å; F128-M234 HydrophobicContact CD2-CG 3.81Å; F128-M234 HydrophobicContact CD2-SD 3.71Å; F128-M234 HydrophobicContact CE2-CG 4.26Å; F128-M234 HydrophobicContact CE2-SD 4.01Å; F128-M234 PolarHBondContact N-O 2.97Å; F128-D311 WeakPolarHBondContact CA-OD2 3.12Å; F128-D311 WeakPolarHBondContact CB-OD2 3.33Å; F128-D311 HydrophobicContact CD1-CB 4.27Å; F128-D311 WeakPolarHBondContact CD1-OD2 3.24Å; F128-W312 HydrophobicContact CD1-CE3 4.41Å; F128-W312 HydrophobicContact CD1-CZ3 4.49Å; F128-W312 AromaticContact CE1-CE3 3.77Å; F128-W312 HydrophobicContact CE1-CE3 3.77Å; F128-W312 HydrophobicContact CE1-CZ3 4.05Å; F128-W312 HydrophobicContact CE2-CZ3 4.13Å; F128-W312 AromaticContact CZ-CE3 3.86Å; F128-W312 HydrophobicContact CZ-CE3 3.86Å; F128-W312 AromaticContact CZ-CZ3 3.85Å; F128-W312 HydrophobicContact CZ-CZ3 3.85Å
129T97.9Very high97.7Very high72 Ų7245.4 Ų45.444%0.44222%0.221SC..  trans-61.3162.4169.364.80000110.4S131 T132 S133 D311T129-S131 VanDerWaalsContact C-N 3.29Å; T129-S131 PolarHBondContact O-N 3.09Å; T129-T132 PolarHBondContact O-N 3.32Å; T129-T132 PolarHBondContact OG1-N 2.92Å; T129-T132 PolarHBondContact OG1-OG1 2.91Å; T129-S133 VanDerWaalsContact O-CB 3.3Å; T129-S133 WeakPolarHBondContact O-CB 3.45Å; T129-S133 PolarHBondContact O-N 2.86Å; T129-S133 PolarHBondContact O-OG 3.03Å; T129-D311 WeakPolarHBondContact CB-OD1 3.37Å; T129-D311 WeakPolarHBondContact CG2-OD1 3.19Å; T129-D311 PolarHBondContact N-OD2 2.81Å; T129-D311 PolarHBondContact OG1-OD1 3.3Å; T129-D311 PolarHBondContact OG1-OD2 3.27Å
130I98.2Very high97.8Very high61 Ų6144.6 Ų44.631%0.31322%0.218SC..Hα-helixtrans-61.4-39.6176.3-60.3-59.4000111.1S133 I134 I235 P267 L302 L304I130-S133 PolarHBondContact O-N 3.09Å; I130-I134 HydrophobicContact CG2-CD1 3.53Å; I130-I134 HydrophobicContact CG2-CG1 4.24Å; I130-I134 WeakPolarHBondContact O-CG1 3.44Å; I130-I134 PolarHBondContact O-N 2.87Å; I130-I235 HydrophobicContact CD1-CB 4.49Å; I130-I235 HydrophobicContact CD1-CD1 4.41Å; I130-I235 HydrophobicContact CD1-CG1 4.16Å; I130-I235 HydrophobicContact CD1-CG2 3.62Å; I130-P267 HydrophobicContact CD1-CG 4.19Å; I130-P267 HydrophobicContact CG2-CG 3.79Å; I130-L302 HydrophobicContact CG2-CD1 3.62Å; I130-L304 HydrophobicContact CG2-CD1 4.44Å
131S98.3Very high97.9Very high16 Ų1643.6 Ų43.611%0.11221%0.214CC..Hα-helixtrans-58.1-54.1175.8-177.60000111.6T129 S133 R135 D308T129-S131 VanDerWaalsContact C-N 3.29Å; T129-S131 PolarHBondContact O-N 3.09Å; S131-S133 VanDerWaalsContact C-N 3.35Å; S131-S133 PolarHBondContact O-N 2.85Å; S131-R135 WeakPolarHBondContact O-CG 3.39Å; S131-R135 PolarHBondContact O-N 3.39Å; S131-R135 VanDerWaalsContact O-N 3.15Å; S131-R135 PolarHBondContact O-NE 3.13Å; S131-R135 PolarHBondContact OG-NE 3.45Å; S131-R135 VanDerWaalsContact OG-NE 3.07Å; S131-R135 PolarHBondContact OG-NH2 3.05Å; S131-R135 VanDerWaalsContact OG-NH2 3.1Å; S131-D308 PolarHBondContact OG-OD2 3.08Å; S131-D308 VanDerWaalsContact OG-OD2 3.1Å
132T98.5Very high98Very high0 Ų038 Ų380%020%0.197CC..Hα-helixtrans-60.6-44.5178.4-71.70000111.6F128 T129 A136 Y310 D311 W312F128-T132 HydrophobicContact CB-CG2 3.67Å; F128-T132 HydrophobicContact CD1-CG2 3.82Å; F128-T132 HydrophobicContact CD2-CG2 4.15Å; F128-T132 HydrophobicContact CG-CG2 3.64Å; T129-T132 PolarHBondContact O-N 3.32Å; T129-T132 PolarHBondContact OG1-N 2.92Å; T129-T132 PolarHBondContact OG1-OG1 2.91Å; T132-A136 WeakPolarHBondContact O-CB 3.46Å; T132-A136 PolarHBondContact O-N 2.88Å; T132-Y310 HydrophobicContact CG2-CD1 3.99Å; T132-D311 VanDerWaalsContact CB-OD2 3.31Å; T132-D311 WeakPolarHBondContact CB-OD2 3.4Å; T132-D311 HydrophobicContact CG2-CB 4.44Å; T132-D311 PolarHBondContact OG1-N 2.84Å; T132-D311 PolarHBondContact OG1-OD1 3.23Å; T132-D311 PolarHBondContact OG1-OD2 3.41Å; T132-W312 HydrophobicContact CG2-CE3 3.98Å; T132-W312 HydrophobicContact CG2-CH2 3.89Å; T132-W312 HydrophobicContact CG2-CZ3 3.36Å
133S98.6Very high98.1Very high0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-62-49.8-177.6-61.20000112F128 T129 I130 S131 A136 T137 I235F128-S133 WeakPolarHBondContact CB-OG 3.24Å; T129-S133 VanDerWaalsContact O-CB 3.3Å; T129-S133 WeakPolarHBondContact O-CB 3.45Å; T129-S133 PolarHBondContact O-N 2.86Å; T129-S133 PolarHBondContact O-OG 3.03Å; I130-S133 PolarHBondContact O-N 3.09Å; S131-S133 VanDerWaalsContact C-N 3.35Å; S131-S133 PolarHBondContact O-N 2.85Å; S133-A136 PolarHBondContact O-N 2.61Å; S133-T137 WeakPolarHBondContact O-CB 3.25Å; S133-T137 PolarHBondContact O-N 3.38Å; S133-T137 PolarHBondContact O-OG1 2.89Å; S133-I235 VanDerWaalsContact CB-CG1 3.5Å; S133-I235 WeakPolarHBondContact OG-CG1 3.43Å
134I98.6Very high98.3Very high0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-64.4-47.6-178.8-68168.8000110.7I130 A136 T137 V138 P267 Y270 M295 A298 M299 L302 L304I130-I134 HydrophobicContact CG2-CD1 3.53Å; I130-I134 HydrophobicContact CG2-CG1 4.24Å; I130-I134 WeakPolarHBondContact O-CG1 3.44Å; I130-I134 PolarHBondContact O-N 2.87Å; I134-A136 VanDerWaalsContact C-N 3.32Å; I134-A136 PolarHBondContact O-N 2.68Å; I134-T137 WeakPolarHBondContact O-CB 3.2Å; I134-T137 PolarHBondContact O-N 3.08Å; I134-T137 VanDerWaalsContact O-N 3.14Å; I134-V138 WeakPolarHBondContact O-CG2 3.41Å; I134-V138 PolarHBondContact O-N 3.18Å; I134-P267 HydrophobicContact CD1-CG 4.14Å; I134-Y270 HydrophobicContact CG1-CE2 4.35Å; I134-M295 HydrophobicContact CG2-CB 4.05Å; I134-M295 HydrophobicContact CG2-SD 4.35Å; I134-A298 HydrophobicContact CD1-CB 3.84Å; I134-M299 HydrophobicContact CG2-CG 3.61Å; I134-M299 HydrophobicContact CG2-SD 4.32Å; I134-L302 HydrophobicContact CD1-CD1 3.82Å; I134-L304 HydrophobicContact CD1-CD1 3.8Å
135R98.4Very high98.4Very high2 Ų229.8 Ų29.81%0.00815%0.15CC..Hα-helixtrans-68.1-32.7-179.2-67.8-178.2-66121.2-3.5112.6S131 Q139 M299 A305 D308 P309 Y310S131-R135 WeakPolarHBondContact O-CG 3.39Å; S131-R135 PolarHBondContact O-N 3.39Å; S131-R135 VanDerWaalsContact O-N 3.15Å; S131-R135 PolarHBondContact O-NE 3.13Å; S131-R135 PolarHBondContact OG-NE 3.45Å; S131-R135 VanDerWaalsContact OG-NE 3.07Å; S131-R135 PolarHBondContact OG-NH2 3.05Å; S131-R135 VanDerWaalsContact OG-NH2 3.1Å; R135-Q139 PolarHBondContact O-N 2.67Å; R135-M299 HydrophobicContact CG-CE 3.91Å; R135-M299 HydrophobicContact CG-SD 4.11Å; R135-A305 VanDerWaalsContact CD-O 3.32Å; R135-A305 WeakPolarHBondContact CD-O 3.35Å; R135-D308 PolarHBondContact NH1-O 3.1Å; R135-D308 PolarHBondContact NH2-O 3.3Å; R135-P309 PolarHBondContact NH2-O 2.86Å; R135-Y310 HydrophobicContact CB-CE1 3.75Å; R135-Y310 VanDerWaalsContact NH1-CE1 3.3Å
136A98.6Very high98.5Very high0 Ų025.2 Ų25.20%013%0.129CC..Hα-helixtrans-67.2-42.8170.700000110.9T132 S133 I134 V138 Q139 M140 I174 W312T132-A136 WeakPolarHBondContact O-CB 3.46Å; T132-A136 PolarHBondContact O-N 2.88Å; S133-A136 PolarHBondContact O-N 2.61Å; I134-A136 VanDerWaalsContact C-N 3.32Å; I134-A136 PolarHBondContact O-N 2.68Å; A136-V138 VanDerWaalsContact C-N 3.31Å; A136-V138 PolarHBondContact O-N 3.26Å; A136-Q139 PolarHBondContact O-N 2.84Å; A136-M140 HydrophobicContact CB-CE 4.04Å; A136-M140 WeakPolarHBondContact O-CG 3.24Å; A136-M140 PolarHBondContact O-N 3.37Å; A136-I174 HydrophobicContact CB-CD1 3.78Å; A136-W312 HydrophobicContact CB-CH2 4.3Å
137T98.8Very high98.6Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-56.5-42.6174.9-620000111.7S133 I134 Q139 M140 I141 C231 Y270 F273 M295S133-T137 WeakPolarHBondContact O-CB 3.25Å; S133-T137 PolarHBondContact O-N 3.38Å; S133-T137 PolarHBondContact O-OG1 2.89Å; I134-T137 WeakPolarHBondContact O-CB 3.2Å; I134-T137 PolarHBondContact O-N 3.08Å; I134-T137 VanDerWaalsContact O-N 3.14Å; T137-Q139 PolarHBondContact O-N 3.23Å; T137-M140 PolarHBondContact O-N 3.39Å; T137-I141 HydrophobicContact CG2-CD1 3.85Å; T137-I141 HydrophobicContact CG2-CG1 4.24Å; T137-I141 VanDerWaalsContact O-CG1 3.29Å; T137-I141 WeakPolarHBondContact O-CG1 3.05Å; T137-I141 PolarHBondContact O-N 3.49Å; T137-C231 PolarHBondContact OG1-SG 3.49Å; T137-Y270 HydrophobicContact CG2-CE1 4.31Å; T137-Y270 PolarHBondContact OG1-OH 3.08Å; T137-F273 HydrophobicContact CG2-CE2 4.47Å; T137-M295 HydrophobicContact CG2-CG 3.99Å; T137-M295 HydrophobicContact CG2-SD 3.66Å
138V98.6Very high98.6Very high17 Ų1716.5 Ų16.510%0.1039%0.089CC..Hα-helixtrans-54.5-54.9175.51710000111.2I134 A136 M140 I141 S142 L292 M295I134-V138 WeakPolarHBondContact O-CG2 3.41Å; I134-V138 PolarHBondContact O-N 3.18Å; A136-V138 VanDerWaalsContact C-N 3.31Å; A136-V138 PolarHBondContact O-N 3.26Å; V138-M140 VanDerWaalsContact C-N 3.3Å; V138-M140 PolarHBondContact O-N 2.96Å; V138-I141 PolarHBondContact O-N 3.2Å; V138-S142 PolarHBondContact O-N 3.26Å; V138-S142 VanDerWaalsContact O-N 3.09Å; V138-S142 PolarHBondContact O-OG 3.03Å; V138-L292 HydrophobicContact CG1-CD2 3.97Å; V138-M295 HydrophobicContact CG2-CB 3.55Å; V138-M295 HydrophobicContact CG2-CG 4.2Å
139Q98.7Very high98.6Very high29 Ų2920.1 Ų20.114%0.13611%0.109CC..Hα-helixtrans-61.5-37.3178.5-67.7-167.45400112.5R135 A136 T137 S142 A143 N172 I174 Y310R135-Q139 PolarHBondContact O-N 2.67Å; A136-Q139 PolarHBondContact O-N 2.84Å; T137-Q139 PolarHBondContact O-N 3.23Å; Q139-S142 PolarHBondContact O-N 2.89Å; Q139-A143 WeakPolarHBondContact O-CB 3.2Å; Q139-A143 PolarHBondContact O-N 3.27Å; Q139-N172 PolarHBondContact NE2-O 2.94Å; Q139-N172 PolarHBondContact OE1-O 2.89Å; Q139-I174 HydrophobicContact CB-CB 4.24Å; Q139-I174 HydrophobicContact CB-CD1 4.05Å; Q139-I174 HydrophobicContact CB-CG1 4.44Å; Q139-Y310 PolarHBondContact NE2-OH 3.4Å
140M98.9Very high98.6Very high0 Ų018.2 Ų18.20%010%0.099CC..Hα-helixtrans-67-39.1178.2-67.9169.4-17400112.3L116 A136 T137 V138 I144 L159 M162 I174 L227 V230 M234L116-M140 HydrophobicContact CD1-CE 3.28Å; A136-M140 HydrophobicContact CB-CE 4.04Å; A136-M140 WeakPolarHBondContact O-CG 3.24Å; A136-M140 PolarHBondContact O-N 3.37Å; T137-M140 PolarHBondContact O-N 3.39Å; V138-M140 VanDerWaalsContact C-N 3.3Å; V138-M140 PolarHBondContact O-N 2.96Å; M140-I144 WeakPolarHBondContact O-CB 3.29Å; M140-I144 WeakPolarHBondContact O-CD1 3.02Å; M140-I144 VanDerWaalsContact O-CG1 3.28Å; M140-I144 WeakPolarHBondContact O-CG1 3.38Å; M140-I144 PolarHBondContact O-N 3.32Å; M140-L159 HydrophobicContact CE-CD2 3.63Å; M140-M162 HydrophobicContact CB-CE 4.28Å; M140-M162 HydrophobicContact CE-SD 3.78Å; M140-M162 HydrophobicContact CG-CE 3.96Å; M140-M162 HydrophobicContact CG-SD 3.7Å; M140-M162 HydrophobicContact SD-CE 4.43Å; M140-M162 HydrophobicContact SD-SD 3.89Å; M140-I174 HydrophobicContact CE-CD1 4.18Å; M140-L227 HydrophobicContact CB-CD1 3.6Å; M140-L227 HydrophobicContact CB-CD2 4.24Å; M140-L227 HydrophobicContact CG-CD1 4.14Å; M140-L227 HydrophobicContact SD-CD1 3.56Å; M140-L227 VanDerWaalsContact SD-CD1 3.56Å; M140-V230 HydrophobicContact SD-CG1 4.46Å; M140-M234 HydrophobicContact CE-CE 4.1Å; M140-M234 HydrophobicContact CE-SD 3.91Å; M140-M234 HydrophobicContact SD-CE 4.08Å
141I98.9Very high98.6Very high0 Ų015.5 Ų15.50%09%0.086CC..Hα-helixtrans-61.8-48.6173.9-65.5160.4000109.3T137 V138 A143 I144 Q145 L227 F273 Y288 L291 L292 M295T137-I141 HydrophobicContact CG2-CD1 3.85Å; T137-I141 HydrophobicContact CG2-CG1 4.24Å; T137-I141 VanDerWaalsContact O-CG1 3.29Å; T137-I141 WeakPolarHBondContact O-CG1 3.05Å; T137-I141 PolarHBondContact O-N 3.49Å; V138-I141 PolarHBondContact O-N 3.2Å; I141-A143 PolarHBondContact O-N 2.99Å; I141-I144 PolarHBondContact O-N 3.41Å; I141-Q145 WeakPolarHBondContact O-CB 3.33Å; I141-Q145 PolarHBondContact O-N 2.74Å; I141-L227 HydrophobicContact CG1-CD2 3.76Å; I141-F273 HydrophobicContact CD1-CE2 3.92Å; I141-F273 HydrophobicContact CG1-CE2 4.13Å; I141-Y288 HydrophobicContact CG2-CD1 4.18Å; I141-L291 HydrophobicContact CD1-CB 3.99Å; I141-L291 HydrophobicContact CG2-CB 4.38Å; I141-L292 HydrophobicContact CB-CD2 3.86Å; I141-L292 HydrophobicContact CB-CG 4.4Å; I141-L292 HydrophobicContact CD1-CD2 4.21Å; I141-L292 HydrophobicContact CG2-CD1 4.46Å; I141-L292 HydrophobicContact CG2-CD2 3.83Å; I141-L292 HydrophobicContact CG2-CG 3.82Å; I141-M295 HydrophobicContact CD1-CG 4.04Å
142S98.7Very high98.6Very high27 Ų2715.7 Ų15.719%0.1898%0.084CC..Hα-helixtrans-58.8-47.6177.9-61.20000112V138 Q139 I144 Q145 E146V138-S142 PolarHBondContact O-N 3.26Å; V138-S142 VanDerWaalsContact O-N 3.09Å; V138-S142 PolarHBondContact O-OG 3.03Å; Q139-S142 PolarHBondContact O-N 2.89Å; S142-I144 PolarHBondContact O-N 2.73Å; S142-Q145 PolarHBondContact O-N 3.3Å; S142-E146 WeakPolarHBondContact O-CB 3.45Å; S142-E146 VanDerWaalsContact O-CG 3.27Å; S142-E146 WeakPolarHBondContact O-CG 3.49Å; S142-E146 PolarHBondContact O-N 3.22Å
143A98.9Very high98.7Very high1 Ų115.7 Ų15.71%0.0088%0.084CC..Hα-helixtrans-59.3-44177.700000112.8H91 Q139 I141 L147 L176H91-A143 HydrophobicContact CB-CB 3.47Å; H91-A143 VanDerWaalsContact CB-CB 3.47Å; Q139-A143 WeakPolarHBondContact O-CB 3.2Å; Q139-A143 PolarHBondContact O-N 3.27Å; I141-A143 PolarHBondContact O-N 2.99Å; A143-L147 WeakPolarHBondContact O-CB 3.48Å; A143-L147 PolarHBondContact O-N 3.01Å; A143-L176 HydrophobicContact CB-CB 4.32Å; A143-L176 HydrophobicContact CB-CD2 4.5Å
144I98.9Very high98.7Very high1 Ų115.7 Ų15.71%0.0058%0.084CC..Hα-helixtrans-68.5-43178.6-72.1165.3000110.8M140 I141 S142 L147 H148 I157 D223 L224 L227M140-I144 WeakPolarHBondContact O-CB 3.29Å; M140-I144 WeakPolarHBondContact O-CD1 3.02Å; M140-I144 VanDerWaalsContact O-CG1 3.28Å; M140-I144 WeakPolarHBondContact O-CG1 3.38Å; M140-I144 PolarHBondContact O-N 3.32Å; I141-I144 PolarHBondContact O-N 3.41Å; S142-I144 PolarHBondContact O-N 2.73Å; I144-L147 PolarHBondContact O-N 3.41Å; I144-H148 WeakPolarHBondContact CG2-CE1 3.32Å; I144-H148 WeakPolarHBondContact O-CB 3.46Å; I144-H148 PolarHBondContact O-CD2 3.42Å; I144-H148 PolarHBondContact O-N 3.37Å; I144-I157 HydrophobicContact CD1-CD1 3.9Å; I144-I157 HydrophobicContact CD1-CG1 4.12Å; I144-I157 HydrophobicContact CD1-CG2 4.12Å; I144-I157 HydrophobicContact CG1-CD1 3.84Å; I144-I157 HydrophobicContact CG1-CG1 4.5Å; I144-D223 HydrophobicContact CG2-CB 4.25Å; I144-L224 HydrophobicContact CG2-CD2 4.04Å; I144-L227 HydrophobicContact CD1-CB 4.12Å; I144-L227 HydrophobicContact CD1-CD1 4.43Å; I144-L227 HydrophobicContact CD1-CD2 3.99Å; I144-L227 HydrophobicContact CD1-CG 4.4Å
145Q98.9Very high98.6Very high48 Ų4817 Ų1722%0.2249%0.089CC..Hα-helixtrans-57.3-51.4175.3177.6-177.3-17.200110.8I141 S142 L147 H148 D149 Y288I141-Q145 WeakPolarHBondContact O-CB 3.33Å; I141-Q145 PolarHBondContact O-N 2.74Å; S142-Q145 PolarHBondContact O-N 3.3Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 3.02Å; Q145-H148 CarbonylContact O-C 3.49Å; Q145-H148 WeakPolarHBondContact O-CA 3.47Å; Q145-H148 WeakPolarHBondContact O-CB 3.48Å; Q145-H148 PolarHBondContact O-N 2.84Å; Q145-H148 VanDerWaalsContact O-N 3.08Å; Q145-D149 WeakPolarHBondContact CG-OD2 3.13Å; Q145-D149 WeakPolarHBondContact O-CB 3.44Å; Q145-D149 PolarHBondContact O-N 3.03Å; Q145-Y288 HydrophobicContact CB-CD1 3.63Å; Q145-Y288 HydrophobicContact CB-CD2 4.13Å; Q145-Y288 HydrophobicContact CB-CE1 3.95Å; Q145-Y288 HydrophobicContact CB-CE2 4.41Å; Q145-Y288 HydrophobicContact CB-CG 3.74Å; Q145-Y288 HydrophobicContact CG-CD1 4.08Å; Q145-Y288 HydrophobicContact CG-CD2 3.62Å; Q145-Y288 HydrophobicContact CG-CE1 4.42Å; Q145-Y288 HydrophobicContact CG-CE2 4Å; Q145-Y288 HydrophobicContact CG-CG 3.68Å
146E98.8Very high98.6Very high67 Ų6717.7 Ų17.731%0.3139%0.093SC..Hα-helixtrans-63.9-35.7-177.7-71.6169.8-175.900111.7F86 S89 H91 S142 D149 S150F86-E146 HydrophobicContact CD2-CB 4.49Å; F86-E146 HydrophobicContact CE2-CB 3.76Å; S89-E146 WeakPolarHBondContact CB-OE2 3.22Å; S89-E146 PolarHBondContact OG-OE2 3.32Å; H91-E146 IonicContact CD2-OE2 3.26Å; S142-E146 WeakPolarHBondContact O-CB 3.45Å; S142-E146 VanDerWaalsContact O-CG 3.27Å; S142-E146 WeakPolarHBondContact O-CG 3.49Å; S142-E146 PolarHBondContact O-N 3.22Å; E146-D149 PolarHBondContact O-N 3.46Å; E146-S150 PolarHBondContact O-N 3.1Å; E146-S150 VanDerWaalsContact O-N 3.1Å
147L98.9Very high98.6Very high0 Ų017.8 Ų17.80%09%0.093CC..Hα-helixtrans-64.4-45.7170.6179.467.4000111.3V82 F86 A143 I144 Q145 D149 S150 Y152 H154 L176 F179V82-L147 HydrophobicContact CG1-CD1 3.83Å; F86-L147 HydrophobicContact CB-CD1 4.14Å; F86-L147 HydrophobicContact CD1-CD1 4.35Å; F86-L147 HydrophobicContact CD2-CB 4.04Å; F86-L147 HydrophobicContact CD2-CD1 4.21Å; F86-L147 HydrophobicContact CE2-CB 3.92Å; F86-L147 VanDerWaalsContact CE2-N 3.33Å; F86-L147 HydrophobicContact CG-CD1 3.99Å; F86-L147 HydrophobicContact CZ-CB 4.37Å; A143-L147 WeakPolarHBondContact O-CB 3.48Å; A143-L147 PolarHBondContact O-N 3.01Å; I144-L147 PolarHBondContact O-N 3.41Å; Q145-L147 VanDerWaalsContact C-N 3.3Å; Q145-L147 PolarHBondContact O-N 3.02Å; L147-D149 VanDerWaalsContact C-N 3.26Å; L147-D149 PolarHBondContact O-N 2.85Å; L147-S150 WeakPolarHBondContact O-CB 3.29Å; L147-S150 PolarHBondContact O-N 3.29Å; L147-S150 VanDerWaalsContact O-N 3.1Å; L147-S150 PolarHBondContact O-OG 2.84Å; L147-Y152 CarbonylContact C-O 3.54Å; L147-Y152 PolarHBondContact O-N 3.4Å; L147-H154 HydrophobicContact CD2-CB 3.7Å; L147-L176 HydrophobicContact CB-CD2 4.46Å; L147-L176 HydrophobicContact CD2-CD2 3.9Å; L147-F179 HydrophobicContact CD1-CD1 4.42Å; L147-F179 HydrophobicContact CD1-CE1 4.12Å; L147-F179 HydrophobicContact CD2-CE1 4.3Å
148H98.8Very high98.6Very high0 Ų019.3 Ų19.30%010%0.1CC..Hα-helixtrans-62.4-34.7176.7-68.3176000112.3I144 Q145 S150 G151 Y152 Y185 R220 D223 Y288I144-H148 WeakPolarHBondContact CG2-CE1 3.32Å; I144-H148 WeakPolarHBondContact O-CB 3.46Å; I144-H148 PolarHBondContact O-CD2 3.42Å; I144-H148 PolarHBondContact O-N 3.37Å; Q145-H148 CarbonylContact O-C 3.49Å; Q145-H148 WeakPolarHBondContact O-CA 3.47Å; Q145-H148 WeakPolarHBondContact O-CB 3.48Å; Q145-H148 PolarHBondContact O-N 2.84Å; Q145-H148 VanDerWaalsContact O-N 3.08Å; H148-S150 VanDerWaalsContact C-N 3.28Å; H148-S150 PolarHBondContact O-N 3.37Å; H148-G151 PolarHBondContact O-N 2.78Å; H148-Y152 VanDerWaalsContact CA-O 3.27Å; H148-Y152 WeakPolarHBondContact CA-O 3.27Å; H148-Y152 PolarHBondContact CD2-O 3.09Å; H148-Y152 PolarHBondContact N-O 3.2Å; H148-Y185 VanDerWaalsContact O-CE1 3.22Å; H148-Y185 WeakPolarHBondContact O-CE1 3.29Å; H148-Y185 PolarHBondContact O-OH 3.36Å; H148-R220 HydrophobicContact CB-CG 4.21Å; H148-R220 PolarHBondContact CE1-O 2.85Å; H148-D223 IonicContact CE1-OD2 3.31Å; H148-D223 IonicContact NE2-OD2 3.61Å; H148-D223 PolarHBondContact NE2-OD2 3.33Å; H148-Y288 AromaticContact ND1-CZ 3.7Å; H148-Y288 PolarHBondContact ND1-OH 3.39Å
149D98.2Very high98.6Very high82 Ų8218.6 Ų18.644%0.43910%0.096SC..Hα-helixtrans-71.1-25.3176.7-68.9-14.1000111.6Q145 E146 L147 G151 R285Q145-D149 WeakPolarHBondContact CG-OD2 3.13Å; Q145-D149 WeakPolarHBondContact O-CB 3.44Å; Q145-D149 PolarHBondContact O-N 3.03Å; E146-D149 PolarHBondContact O-N 3.46Å; L147-D149 VanDerWaalsContact C-N 3.26Å; L147-D149 PolarHBondContact O-N 2.85Å; D149-G151 PolarHBondContact O-N 3.31Å; D149-R285 IonicContact OD1-CZ 2.96Å; D149-R285 IonicContact OD1-NH1 3.91Å; D149-R285 PolarHBondContact OD1-NH1 3.07Å; D149-R285 IonicContact OD1-NH2 3.78Å; D149-R285 PolarHBondContact OD1-NH2 3.5Å; D149-R285 IonicContact OD2-NH2 2.73Å; D149-R285 PolarHBondContact OD2-NH2 2.93Å
150S98.1Very high98.5Very high32 Ų3219.8 Ų19.822%0.22411%0.107CC..THydrogen-bonded Turntrans-74.2-1.7168.281.50000114.4A85 E146 L147 H148 Y152A85-S150 WeakPolarHBondContact O-CB 3.33Å; E146-S150 PolarHBondContact O-N 3.1Å; E146-S150 VanDerWaalsContact O-N 3.1Å; L147-S150 WeakPolarHBondContact O-CB 3.29Å; L147-S150 PolarHBondContact O-N 3.29Å; L147-S150 VanDerWaalsContact O-N 3.1Å; L147-S150 PolarHBondContact O-OG 2.84Å; H148-S150 VanDerWaalsContact C-N 3.28Å; H148-S150 PolarHBondContact O-N 3.37Å; S150-Y152 WeakPolarHBondContact O-CD2 3.47Å
151G98.3Very high98.4Very high4 Ų420 Ų204%0.04111%0.108CC..THydrogen-bonded Turntrans89.211.6177.500000115.2H148 D149 K184 Y185H148-G151 PolarHBondContact O-N 2.78Å; D149-G151 PolarHBondContact O-N 3.31Å; G151-K184 CarbonylContact O-C 3.6Å; G151-K184 WeakPolarHBondContact O-CA 3.27Å; G151-K184 WeakPolarHBondContact O-CG 3.22Å; G151-Y185 VanDerWaalsContact C-CD1 3.41Å; G151-Y185 WeakPolarHBondContact O-CD1 2.98Å; G151-Y185 PolarHBondContact O-N 2.95Å
152Y98.7Very high98.4Very high19 Ų1920 Ų208%0.07511%0.108CC..EExtended strand (participates in β ladder)trans-119.1147.2-179.7-68.7-90.1000112.2V81 V82 A85 L147 H148 S150 R183 K184V81-Y152 VanDerWaalsContact CG1-OH 3.25Å; V81-Y152 WeakPolarHBondContact CG1-OH 3.46Å; V82-Y152 HydrophobicContact CG1-CD1 4.49Å; V82-Y152 HydrophobicContact CG1-CG 4.22Å; V82-Y152 HydrophobicContact CG2-CD1 3.63Å; V82-Y152 HydrophobicContact CG2-CE1 3.69Å; V82-Y152 HydrophobicContact CG2-CG 4.15Å; A85-Y152 HydrophobicContact CB-CD2 4.13Å; A85-Y152 HydrophobicContact CB-CE2 3.69Å; L147-Y152 CarbonylContact C-O 3.54Å; L147-Y152 PolarHBondContact O-N 3.4Å; H148-Y152 VanDerWaalsContact CA-O 3.27Å; H148-Y152 WeakPolarHBondContact CA-O 3.27Å; H148-Y152 PolarHBondContact CD2-O 3.09Å; H148-Y152 PolarHBondContact N-O 3.2Å; S150-Y152 WeakPolarHBondContact O-CD2 3.47Å; Y152-R183 CarbonylContact C-O 3.47Å; Y152-R183 WeakPolarHBondContact CA-O 3.47Å; Y152-K184 HydrophobicContact CD1-CB 3.87Å; Y152-K184 HydrophobicContact CD1-CG 4.26Å; Y152-K184 VanDerWaalsContact CD1-N 3.33Å; Y152-K184 HydrophobicContact CE1-CB 3.47Å; Y152-K184 VanDerWaalsContact CE1-CB 3.47Å; Y152-K184 HydrophobicContact CE1-CD 4.39Å; Y152-K184 HydrophobicContact CE1-CG 3.82Å; Y152-K184 HydrophobicContact CE2-CG 4.24Å
153I98.7Very high98.4Very high0 Ų018.9 Ų18.90%010%0.1CC..EExtended strand (participates in β ladder)trans-105.7149.2162.355.9172.2000108.9R155 A182 R183 Y185 L218 R220I153-R155 HydrophobicContact CB-CG 4.47Å; I153-R155 HydrophobicContact CD1-CG 3.64Å; I153-R155 HydrophobicContact CG1-CG 3.83Å; I153-A182 CarbonylContact O-C 3.54Å; I153-A182 WeakPolarHBondContact O-CA 3.45Å; I153-A182 WeakPolarHBondContact O-CB 3.42Å; I153-R183 HydrophobicContact CD1-CB 4.47Å; I153-R183 HydrophobicContact CG1-CB 4.07Å; I153-R183 WeakPolarHBondContact CG1-O 3.3Å; I153-R183 PolarHBondContact N-O 3.41Å; I153-R183 PolarHBondContact O-N 2.97Å; I153-Y185 HydrophobicContact CG2-CD1 3.85Å; I153-Y185 HydrophobicContact CG2-CE1 4.44Å; I153-Y185 HydrophobicContact CG2-CG 4.36Å; I153-L218 HydrophobicContact CD1-CB 4.27Å; I153-L218 WeakPolarHBondContact CD1-O 3.29Å; I153-R220 HydrophobicContact CG2-CB 4.44Å; I153-R220 HydrophobicContact CG2-CG 3.76Å
154H98.7Very high98.3Very high0 Ų019 Ų190%010%0.101CC..  trans-81.6-45.5-176.9-169.6-55.5000113.1L147 D156 I157 F177 D178 L181 A182 D223L147-H154 HydrophobicContact CD2-CB 3.7Å; H154-D156 PolarHBondContact ND1-N 3.21Å; H154-D156 VanDerWaalsContact ND1-N 3.16Å; H154-D156 PolarHBondContact O-N 2.58Å; H154-I157 HydrophobicContact CB-CD1 3.61Å; H154-I157 HydrophobicContact CB-CG1 4.21Å; H154-F177 PolarHBondContact NE2-O 3.49Å; H154-D178 PolarHBondContact CE1-O 3.25Å; H154-D178 PolarHBondContact NE2-O 2.87Å; H154-L181 CarbonylContact O-C 3.58Å; H154-A182 PolarHBondContact O-N 3.24Å; H154-D223 PolarHBondContact N-OD2 3.27Å
155R98.3Very high98.1Very high29 Ų2919.2 Ų19.211%0.10910%0.103CC..SBendtrans63.212.7-177.3-52.9-170.2-63169.8-1.3116.8I153 L181 A182 G203 L218 D223I153-R155 HydrophobicContact CB-CG 4.47Å; I153-R155 HydrophobicContact CD1-CG 3.64Å; I153-R155 HydrophobicContact CG1-CG 3.83Å; R155-L181 PolarHBondContact NE-O 3.03Å; R155-L181 PolarHBondContact NH2-O 3.27Å; R155-A182 PolarHBondContact NH2-O 3.34Å; R155-G203 WeakPolarHBondContact O-CA 3.4Å; R155-L218 HydrophobicContact CB-CD1 4.06Å; R155-L218 HydrophobicContact CG-CB 4.1Å; R155-L218 HydrophobicContact CG-CD1 4.07Å; R155-D223 VanDerWaalsContact CA-OD1 3.29Å; R155-D223 WeakPolarHBondContact CA-OD1 3.42Å; R155-D223 PolarHBondContact N-OD1 2.82Å
156D97.7Very high97.8Very high15 Ų1520.7 Ų20.78%0.0811%0.112CC..  trans-152.943.1176.4-160.727000112.8H154 K158 L181 G203 T204H154-D156 PolarHBondContact ND1-N 3.21Å; H154-D156 VanDerWaalsContact ND1-N 3.16Å; H154-D156 PolarHBondContact O-N 2.58Å; D156-K158 PolarHBondContact O-N 3.32Å; D156-K158 IonicContact OD1-NZ 2.91Å; D156-K158 PolarHBondContact OD1-NZ 3.05Å; D156-K158 WeakPolarHBondContact OD2-CE 3.39Å; D156-K158 IonicContact OD2-NZ 3.93Å; D156-K158 PolarHBondContact OD2-NZ 3.22Å; D156-L181 HydrophobicContact CB-CB 4.33Å; D156-L181 HydrophobicContact CB-CD1 3.79Å; D156-G203 WeakPolarHBondContact OD1-CA 3.42Å; D156-T204 WeakPolarHBondContact OD1-CB 3.25Å; D156-T204 PolarHBondContact OD1-N 2.93Å; D156-T204 PolarHBondContact OD1-OG1 2.88Å
157I98.8Very high97.4Very high2 Ų219.1 Ų19.11%0.0111%0.109CC..  trans-62.8120.3178.5-61.5-59.4000110.7I144 H154 M162 L176 D223 L227I144-I157 HydrophobicContact CD1-CD1 3.9Å; I144-I157 HydrophobicContact CD1-CG1 4.12Å; I144-I157 HydrophobicContact CD1-CG2 4.12Å; I144-I157 HydrophobicContact CG1-CD1 3.84Å; I144-I157 HydrophobicContact CG1-CG1 4.5Å; H154-I157 HydrophobicContact CB-CD1 3.61Å; H154-I157 HydrophobicContact CB-CG1 4.21Å; I157-M162 HydrophobicContact CD1-CE 4.44Å; I157-M162 HydrophobicContact CG2-CE 3.79Å; I157-L176 HydrophobicContact CD1-CD1 4.14Å; I157-D223 HydrophobicContact CG1-CB 3.81Å; I157-L227 HydrophobicContact CG2-CB 4.25Å
158K98.3Very high96.9Very high32 Ų3224.8 Ų24.814%0.13915%0.146CC..SBendtrans-165.6159176.761.1-168.3168.5-165.80110.6D156 S160 N161 T204 Y207D156-K158 PolarHBondContact O-N 3.32Å; D156-K158 IonicContact OD1-NZ 2.91Å; D156-K158 PolarHBondContact OD1-NZ 3.05Å; D156-K158 WeakPolarHBondContact OD2-CE 3.39Å; D156-K158 IonicContact OD2-NZ 3.93Å; D156-K158 PolarHBondContact OD2-NZ 3.22Å; K158-S160 VanDerWaalsContact CD-OG 3.28Å; K158-S160 WeakPolarHBondContact CD-OG 3.42Å; K158-S160 WeakPolarHBondContact CE-OG 3.38Å; K158-S160 WeakPolarHBondContact CG-OG 3.34Å; K158-S160 PolarHBondContact O-N 2.76Å; K158-S160 VanDerWaalsContact O-N 3.08Å; K158-N161 VanDerWaalsContact CE-CG 3.41Å; K158-N161 WeakPolarHBondContact CE-ND2 3.34Å; K158-N161 WeakPolarHBondContact CE-OD1 3.41Å; K158-N161 HydrophobicContact CG-CB 4.14Å; K158-N161 PolarHBondContact O-N 3.2Å; K158-T204 HydrophobicContact CD-CG2 4.35Å; K158-T204 VanDerWaalsContact CD-OG1 3.3Å; K158-T204 WeakPolarHBondContact CD-OG1 3.08Å; K158-T204 PolarHBondContact NZ-OG1 3.47Å; K158-Y207 HydrophobicContact CB-CD2 3.58Å; K158-Y207 HydrophobicContact CB-CE2 3.65Å; K158-Y207 HydrophobicContact CB-CG 4.45Å
159L98Very high96.5Very high3 Ų330.8 Ų30.82%0.01618%0.183CC..G310 helixtrans-62.3-18.8-179.9-61.7177.6000114.9L116 G117 R120 M140 N161 V230 M234L116-L159 HydrophobicContact CB-CB 4.05Å; L116-L159 HydrophobicContact CB-CD2 3.82Å; L116-L159 HydrophobicContact CB-CG 4.44Å; L116-L159 HydrophobicContact CD1-CD2 4.12Å; L116-L159 PolarHBondContact N-O 3.27Å; G117-L159 PolarHBondContact N-O 3Å; R120-L159 HydrophobicContact CB-CD1 4.33Å; M140-L159 HydrophobicContact CE-CD2 3.63Å; L159-N161 VanDerWaalsContact C-N 3.28Å; L159-V230 HydrophobicContact CD1-CG1 4.46Å; L159-V230 HydrophobicContact CD2-CG1 3.47Å; L159-V230 VanDerWaalsContact CD2-CG1 3.47Å; L159-V230 HydrophobicContact CG-CG1 3.69Å; L159-M234 HydrophobicContact CD1-CG 3.84Å; L159-M234 HydrophobicContact CD1-SD 4.47Å; L159-M234 HydrophobicContact CD2-CG 4.15Å; L159-M234 HydrophobicContact CD2-SD 3.77Å
160S96.5Very high96.3Very high53 Ų5329 Ų2937%0.37117%0.171SC..G310 helixtrans-78.2-15.3174.766.30000113.3K158 F177K158-S160 VanDerWaalsContact CD-OG 3.28Å; K158-S160 WeakPolarHBondContact CD-OG 3.42Å; K158-S160 WeakPolarHBondContact CE-OG 3.38Å; K158-S160 WeakPolarHBondContact CG-OG 3.34Å; K158-S160 PolarHBondContact O-N 2.76Å; K158-S160 VanDerWaalsContact O-N 3.08Å; S160-F177 WeakPolarHBondContact O-CZ 3.41Å
161N97.9Very high96Very high5 Ų532.9 Ų32.93%0.02718%0.184CC..G310 helixtrans-105.515.7178.8-69.324.1000110.9K158 L159 F177 D178K158-N161 VanDerWaalsContact CE-CG 3.41Å; K158-N161 WeakPolarHBondContact CE-ND2 3.34Å; K158-N161 WeakPolarHBondContact CE-OD1 3.41Å; K158-N161 HydrophobicContact CG-CB 4.14Å; K158-N161 PolarHBondContact O-N 3.2Å; L159-N161 VanDerWaalsContact C-N 3.28Å; N161-F177 WeakPolarHBondContact CB-O 3.31Å; N161-F177 VanDerWaalsContact O-CD1 3.23Å; N161-F177 WeakPolarHBondContact O-CD1 3.28Å; N161-F177 PolarHBondContact O-N 3.34Å; N161-D178 PolarHBondContact ND2-OD2 3.37Å
162M98.4Very high95.8Very high1 Ų134.7 Ų34.71%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-131125.3174.6-67.6166.8176.700107.7S115 L116 M140 I157 I174 L175 L176S115-M162 CarbonylContact C-O 3.43Å; S115-M162 VanDerWaalsContact CA-O 3.24Å; S115-M162 WeakPolarHBondContact CA-O 3.44Å; L116-M162 HydrophobicContact CD1-CB 3.8Å; L116-M162 HydrophobicContact CD1-SD 4.5Å; L116-M162 HydrophobicContact CG-CB 4.21Å; L116-M162 PolarHBondContact N-O 2.87Å; M140-M162 HydrophobicContact CB-CE 4.28Å; M140-M162 HydrophobicContact CE-SD 3.78Å; M140-M162 HydrophobicContact CG-CE 3.96Å; M140-M162 HydrophobicContact CG-SD 3.7Å; M140-M162 HydrophobicContact SD-CE 4.43Å; M140-M162 HydrophobicContact SD-SD 3.89Å; I157-M162 HydrophobicContact CD1-CE 4.44Å; I157-M162 HydrophobicContact CG2-CE 3.79Å; M162-I174 HydrophobicContact CB-CG2 3.98Å; M162-I174 HydrophobicContact CG-CG2 4.32Å; M162-L175 WeakPolarHBondContact CA-O 3.49Å; M162-L176 HydrophobicContact CE-CD1 4.03Å; M162-L176 HydrophobicContact CG-CD1 3.97Å
163A97.7Very high95.8Very high2 Ų235.2 Ų35.22%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-131.8160.6-178.200000111.6L112 L175 F177L112-A163 HydrophobicContact CB-CB 4.01Å; L112-A163 HydrophobicContact CD1-CB 4.1Å; A163-L175 PolarHBondContact N-O 3.19Å; A163-L175 PolarHBondContact O-N 2.93Å; A163-F177 HydrophobicContact CB-CD1 4.18Å; A163-F177 HydrophobicContact CB-CE1 3.72Å
164L97.5Very high95.8Very high4 Ų435.2 Ų35.22%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-81.8153.9174.4-61.2172.5000110.6G113 P114 L116 R119 T173 I174 W312G113-L164 WeakPolarHBondContact CA-O 3.35Å; G113-L164 PolarHBondContact N-O 3.42Å; P114-L164 PolarHBondContact O-N 2.88Å; P114-L164 VanDerWaalsContact O-N 3.15Å; L116-L164 HydrophobicContact CD2-CD2 3.82Å; L116-L164 HydrophobicContact CD2-CG 4.07Å; R119-L164 HydrophobicContact CG-CD1 4.15Å; L164-T173 WeakPolarHBondContact CA-O 3.35Å; L164-I174 HydrophobicContact CD2-CG1 4.32Å; L164-W312 HydrophobicContact CD1-CD2 4.11Å; L164-W312 HydrophobicContact CD1-CG 3.86Å; L164-W312 HydrophobicContact CD2-CZ2 3.93Å
165G95.2Very high95.8Very high6 Ų635.2 Ų35.26%0.06220%0.198CC..  trans-67155.3165.400000111.9Q170 T173G165-Q170 WeakPolarHBondContact CA-O 3.35Å; G165-Q170 PolarHBondContact N-O 2.79Å; G165-T173 PolarHBondContact N-O 3.24Å
166L92.4Very high95.8Very high78 Ų7833.9 Ų33.941%0.40819%0.193SC..SBendtrans-91.3-24.1174.9-76.7177.6000113.6L111 G113 P318L111-L166 HydrophobicContact CB-CD1 4.06Å; L111-L166 HydrophobicContact CD2-CD1 3.74Å; L111-L166 HydrophobicContact CG-CD1 3.65Å; L111-L166 WeakPolarHBondContact O-CD1 3.23Å; G113-L166 VanDerWaalsContact CA-CD2 3.46Å; L166-P318 HydrophobicContact CD2-CG 4.13Å
167S90.5Very high95.8Very high35 Ų3535.4 Ų35.425%0.24520%0.199CC..SBendtrans-72.5151.7-177.971.20000110.6T169 Q170 K171S167-T169 PolarHBondContact O-N 2.87Å; S167-T169 VanDerWaalsContact O-N 3.08Å; S167-T169 PolarHBondContact OG-OG1 3.44Å; S167-Q170 CarbonylContact O-C 3.57Å; S167-Q170 PolarHBondContact O-N 2.95Å; S167-Q170 WeakPolarHBondContact OG-CB 3.09Å; S167-Q170 WeakPolarHBondContact OG-CG 3.36Å; S167-Q170 PolarHBondContact OG-N 3.21Å; S167-Q170 VanDerWaalsContact OG-N 3.11Å; S167-K171 PolarHBondContact O-N 3.15Å
168P88.4Confident95.6Very high119 Ų11937 Ų3777%0.77321%0.208SC*.THydrogen-bonded Turntrans-53.4-32.6173.7-28.435.7000113.4
169T91.1Very high95.5Very high126 Ų12635.6 Ų35.677%0.77320%0.202SC*.THydrogen-bonded Turntrans-78.1-20.1178.353.60000114.3S167S167-T169 PolarHBondContact O-N 2.87Å; S167-T169 VanDerWaalsContact O-N 3.08Å; S167-T169 PolarHBondContact OG-OG1 3.44Å
170Q92.4Very high95.4Very high44 Ų4435.8 Ų35.821%0.20620%0.204CC..THydrogen-bonded Turntrans-116.46.1-178.9-63.3-170.9-69.400113.3G165 S167 N172 T173G165-Q170 WeakPolarHBondContact CA-O 3.35Å; G165-Q170 PolarHBondContact N-O 2.79Å; S167-Q170 CarbonylContact O-C 3.57Å; S167-Q170 PolarHBondContact O-N 2.95Å; S167-Q170 WeakPolarHBondContact OG-CB 3.09Å; S167-Q170 WeakPolarHBondContact OG-CG 3.36Å; S167-Q170 PolarHBondContact OG-N 3.21Å; S167-Q170 VanDerWaalsContact OG-N 3.11Å; Q170-N172 PolarHBondContact O-N 2.81Å; Q170-T173 WeakPolarHBondContact O-CB 3.28Å; Q170-T173 PolarHBondContact O-N 3.07Å
171K92.1Very high95.4Very high114 Ų11434.9 Ų34.950%0.49620%0.195SC..THydrogen-bonded Turntrans-56-25.8-174.870.8174.5-171.81600114.1S167 D313S167-K171 PolarHBondContact O-N 3.15Å; K171-D313 IonicContact NZ-OD1 3.31Å
172N95.1Very high95.4Very high41 Ų4134.8 Ų34.822%0.21920%0.195CC..THydrogen-bonded Turntrans-112.89.4178.3-74.8-25.4000113.4Q139 Q170 Y310 W312 D313Q139-N172 PolarHBondContact NE2-O 2.94Å; Q139-N172 PolarHBondContact OE1-O 2.89Å; Q170-N172 PolarHBondContact O-N 2.81Å; N172-Y310 HydrophobicContact CB-CD2 3.85Å; N172-Y310 HydrophobicContact CB-CE2 3.78Å; N172-Y310 VanDerWaalsContact CG-CD2 3.47Å; N172-W312 PolarHBondContact OD1-NE1 3.05Å; N172-D313 PolarHBondContact ND2-OD1 3.37Å; N172-D313 PolarHBondContact ND2-OD2 3.4Å; N172-D313 PolarHBondContact OD1-OD1 3.49Å
173T97.7Very high95.4Very high30 Ų3036.3 Ų36.318%0.18420%0.2CC..  trans-87.1123.9172.7-54.70000109.4L164 G165 Q170 L175L164-T173 WeakPolarHBondContact CA-O 3.35Å; G165-T173 PolarHBondContact N-O 3.24Å; Q170-T173 WeakPolarHBondContact O-CB 3.28Å; Q170-T173 PolarHBondContact O-N 3.07Å; T173-L175 HydrophobicContact CG2-CD2 4.17Å
174I98.6Very high95.4Very high1 Ų139.9 Ų39.91%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-82.8121.6174.2-64.6174000108.7H91 L116 A136 Q139 M140 M162 L164H91-I174 PolarHBondContact ND1-O 3.21Å; L116-I174 HydrophobicContact CD1-CD1 3.72Å; L116-I174 HydrophobicContact CD1-CG1 3.99Å; L116-I174 HydrophobicContact CD1-CG2 3.93Å; L116-I174 HydrophobicContact CD2-CG1 4.38Å; A136-I174 HydrophobicContact CB-CD1 3.78Å; Q139-I174 HydrophobicContact CB-CB 4.24Å; Q139-I174 HydrophobicContact CB-CD1 4.05Å; Q139-I174 HydrophobicContact CB-CG1 4.44Å; M140-I174 HydrophobicContact CE-CD1 4.18Å; M162-I174 HydrophobicContact CB-CG2 3.98Å; M162-I174 HydrophobicContact CG-CG2 4.32Å; L164-I174 HydrophobicContact CD2-CG1 4.32Å
175L98.7Very high95.4Very high0 Ų040.9 Ų40.90%022%0.219CC..EExtended strand (participates in β ladder)trans-108123.9178.9-60.9166.7000109.3S90 H91 P93 L112 M162 A163 T173S90-L175 WeakPolarHBondContact O-CD2 3.17Å; H91-L175 CarbonylContact O-C 3.45Å; H91-L175 VanDerWaalsContact O-CA 3.28Å; H91-L175 WeakPolarHBondContact O-CA 3.35Å; P93-L175 HydrophobicContact CG-CB 4.27Å; L112-L175 HydrophobicContact CD2-CB 4.38Å; L112-L175 HydrophobicContact CD2-CD1 3.47Å; L112-L175 VanDerWaalsContact CD2-CD1 3.47Å; M162-L175 WeakPolarHBondContact CA-O 3.49Å; A163-L175 PolarHBondContact N-O 3.19Å; A163-L175 PolarHBondContact O-N 2.93Å; T173-L175 HydrophobicContact CG2-CD2 4.17Å
176L98.7Very high95.5Very high1 Ų141.5 Ų41.51%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-85.9128.5176.9-177.363.3000109.5F86 H91 P93 A143 L147 I157 M162 F179F86-L176 HydrophobicContact CE1-CB 4.19Å; H91-L176 PolarHBondContact O-N 3.34Å; P93-L176 WeakPolarHBondContact CD-O 3.42Å; A143-L176 HydrophobicContact CB-CB 4.32Å; A143-L176 HydrophobicContact CB-CD2 4.5Å; L147-L176 HydrophobicContact CB-CD2 4.46Å; L147-L176 HydrophobicContact CD2-CD2 3.9Å; I157-L176 HydrophobicContact CD1-CD1 4.14Å; M162-L176 HydrophobicContact CE-CD1 4.03Å; M162-L176 HydrophobicContact CG-CD1 3.97Å; L176-F179 HydrophobicContact CD2-CE1 4.49Å; L176-F179 HydrophobicContact CG-CE1 4.21Å; L176-F179 WeakPolarHBondContact O-CZ 3.42Å
177F97.1Very high95.7Very high46 Ų4639.7 Ų39.720%0.20221%0.212CC..  trans-143.8176.6-176.875.1-81.5000111.8P93 L112 H154 S160 N161 A163P93-F177 HydrophobicContact CG-CB 3.9Å; L112-F177 HydrophobicContact CD1-CB 4.05Å; L112-F177 HydrophobicContact CD1-CD1 3.85Å; L112-F177 HydrophobicContact CD1-CD2 4.47Å; L112-F177 HydrophobicContact CD1-CE1 4.42Å; L112-F177 HydrophobicContact CD1-CG 3.88Å; H154-F177 PolarHBondContact NE2-O 3.49Å; S160-F177 WeakPolarHBondContact O-CZ 3.41Å; N161-F177 WeakPolarHBondContact CB-O 3.31Å; N161-F177 VanDerWaalsContact O-CD1 3.23Å; N161-F177 WeakPolarHBondContact O-CD1 3.28Å; N161-F177 PolarHBondContact O-N 3.34Å; A163-F177 HydrophobicContact CB-CD1 4.18Å; A163-F177 HydrophobicContact CB-CE1 3.72Å
178D95.4Very high95.9Very high36 Ų3642.2 Ų42.219%0.19324%0.235CC..  trans67.671.6-178.3-16621.6000113.6K65 H154 N161 G180K65-D178 IonicContact NZ-OD1 2.68Å; K65-D178 PolarHBondContact NZ-OD1 2.86Å; H154-D178 PolarHBondContact CE1-O 3.25Å; H154-D178 PolarHBondContact NE2-O 2.87Å; N161-D178 PolarHBondContact ND2-OD2 3.37Å; D178-G180 PolarHBondContact O-N 3.36Å
179F97.1Very high96.3Very high3 Ų343.3 Ų43.31%0.01323%0.23CC..  trans-86.518.8-179.1-50.9-67.5000113.5E79 V82 I83 F86 L147 L176 L181 A182E79-F179 HydrophobicContact CG-CB 4.09Å; V82-F179 HydrophobicContact CB-CB 3.8Å; V82-F179 HydrophobicContact CB-CD2 4.27Å; V82-F179 HydrophobicContact CB-CG 3.98Å; V82-F179 HydrophobicContact CG1-CB 3.71Å; V82-F179 HydrophobicContact CG1-CD1 3.66Å; V82-F179 HydrophobicContact CG1-CD2 4.04Å; V82-F179 HydrophobicContact CG1-CE1 4.29Å; V82-F179 HydrophobicContact CG1-CG 3.51Å; V82-F179 HydrophobicContact CG2-CB 4.24Å; I83-F179 HydrophobicContact CB-CD2 4.16Å; I83-F179 HydrophobicContact CB-CE2 3.96Å; I83-F179 HydrophobicContact CD1-CE2 4.46Å; I83-F179 HydrophobicContact CG1-CE2 4.01Å; F86-F179 HydrophobicContact CD1-CE1 4.24Å; F86-F179 AromaticContact CD1-CZ 3.69Å; F86-F179 HydrophobicContact CD1-CZ 3.69Å; F86-F179 HydrophobicContact CE1-CZ 4.11Å; L147-F179 HydrophobicContact CD1-CD1 4.42Å; L147-F179 HydrophobicContact CD1-CE1 4.12Å; L147-F179 HydrophobicContact CD2-CE1 4.3Å; L176-F179 HydrophobicContact CD2-CE1 4.49Å; L176-F179 HydrophobicContact CG-CE1 4.21Å; L176-F179 WeakPolarHBondContact O-CZ 3.42Å; F179-L181 PolarHBondContact O-N 3.15Å; F179-L181 VanDerWaalsContact O-N 3.12Å; F179-A182 HydrophobicContact CB-CB 3.91Å; F179-A182 VanDerWaalsContact O-CB 3.23Å; F179-A182 WeakPolarHBondContact O-CB 3.34Å; F179-A182 PolarHBondContact O-N 2.97Å
180G95Very high96.4Very high6 Ų639.6 Ų39.66%0.06222%0.217CC..THydrogen-bonded Turntrans-62.5-22.8-175.100000113.8V75 D178V75-G180 VanDerWaalsContact CG1-O 3.28Å; V75-G180 WeakPolarHBondContact CG1-O 3.28Å; D178-G180 PolarHBondContact O-N 3.36Å
181L96.2Very high96.6Very high35 Ų3542 Ų4218%0.18323%0.231CC..THydrogen-bonded Turntrans-103.42.9173.6-67.8-179.7000113.5H154 R155 D156 F179H154-L181 CarbonylContact O-C 3.58Å; R155-L181 PolarHBondContact NE-O 3.03Å; R155-L181 PolarHBondContact NH2-O 3.27Å; D156-L181 HydrophobicContact CB-CB 4.33Å; D156-L181 HydrophobicContact CB-CD1 3.79Å; F179-L181 PolarHBondContact O-N 3.15Å; F179-L181 VanDerWaalsContact O-N 3.12Å
182A98Very high96.9Very high2 Ų240.3 Ų40.32%0.01723%0.227CC..  trans-61.7162.3-178.200000112.1L78 V82 I153 H154 R155 F179L78-A182 WeakPolarHBondContact CD2-O 3.48Å; V82-A182 HydrophobicContact CG1-CB 4.23Å; V82-A182 HydrophobicContact CG2-CB 3.89Å; I153-A182 CarbonylContact O-C 3.54Å; I153-A182 WeakPolarHBondContact O-CA 3.45Å; I153-A182 WeakPolarHBondContact O-CB 3.42Å; H154-A182 PolarHBondContact O-N 3.24Å; R155-A182 PolarHBondContact NH2-O 3.34Å; F179-A182 HydrophobicContact CB-CB 3.91Å; F179-A182 VanDerWaalsContact O-CB 3.23Å; F179-A182 WeakPolarHBondContact O-CB 3.34Å; F179-A182 PolarHBondContact O-N 2.97Å
183R97.6Very high97Very high34 Ų3443.3 Ų43.313%0.12824%0.235CC..EExtended strand (participates in β ladder)trans-146.9133.9175.4179.2174.9179.5-103.50.9110.3Y152 I153 Y185 R196 D217Y152-R183 CarbonylContact C-O 3.47Å; Y152-R183 WeakPolarHBondContact CA-O 3.47Å; I153-R183 HydrophobicContact CD1-CB 4.47Å; I153-R183 HydrophobicContact CG1-CB 4.07Å; I153-R183 WeakPolarHBondContact CG1-O 3.3Å; I153-R183 PolarHBondContact N-O 3.41Å; I153-R183 PolarHBondContact O-N 2.97Å; R183-Y185 PolarHBondContact O-N 2.81Å; R183-R196 VanDerWaalsContact CZ-NE 3.32Å; R183-D217 IonicContact CZ-OD2 2.72Å; R183-D217 IonicContact NH1-OD1 3.04Å; R183-D217 IonicContact NH1-OD2 2.6Å; R183-D217 PolarHBondContact NH1-OD2 2.93Å; R183-D217 VanDerWaalsContact NH1-OD2 3.15Å; R183-D217 IonicContact NH2-OD2 3.02Å
184K98.1Very high96.9Very high76 Ų7647.1 Ų47.133%0.3326%0.26SS..EExtended strand (participates in β ladder)trans-68.8118.5168.3-154.1179.6-179.3-176.50108.7G151 Y152 V186 D187 R193G151-K184 CarbonylContact O-C 3.6Å; G151-K184 WeakPolarHBondContact O-CA 3.27Å; G151-K184 WeakPolarHBondContact O-CG 3.22Å; Y152-K184 HydrophobicContact CD1-CB 3.87Å; Y152-K184 HydrophobicContact CD1-CG 4.26Å; Y152-K184 VanDerWaalsContact CD1-N 3.33Å; Y152-K184 HydrophobicContact CE1-CB 3.47Å; Y152-K184 VanDerWaalsContact CE1-CB 3.47Å; Y152-K184 HydrophobicContact CE1-CD 4.39Å; Y152-K184 HydrophobicContact CE1-CG 3.82Å; Y152-K184 HydrophobicContact CE2-CG 4.24Å; K184-V186 HydrophobicContact CG-CG2 4.48Å; K184-V186 WeakPolarHBondContact CG-O 3.28Å; K184-D187 PolarHBondContact NZ-O 3.45Å; K184-R193 WeakPolarHBondContact O-CD 3.07Å
185Y98Very high96.8Very high25 Ų2551.8 Ų51.810%0.09828%0.282CS..  trans-98.6-9.9-179.175.6-88.8000112.7H148 G151 I153 R183 L192 R193 R220H148-Y185 VanDerWaalsContact O-CE1 3.22Å; H148-Y185 WeakPolarHBondContact O-CE1 3.29Å; H148-Y185 PolarHBondContact O-OH 3.36Å; G151-Y185 VanDerWaalsContact C-CD1 3.41Å; G151-Y185 WeakPolarHBondContact O-CD1 2.98Å; G151-Y185 PolarHBondContact O-N 2.95Å; I153-Y185 HydrophobicContact CG2-CD1 3.85Å; I153-Y185 HydrophobicContact CG2-CE1 4.44Å; I153-Y185 HydrophobicContact CG2-CG 4.36Å; R183-Y185 PolarHBondContact O-N 2.81Å; Y185-L192 HydrophobicContact CD2-CD2 3.5Å; Y185-L192 VanDerWaalsContact CD2-CD2 3.5Å; Y185-L192 HydrophobicContact CE2-CD2 3.51Å; Y185-R193 WeakPolarHBondContact O-CB 3.26Å; Y185-R193 PolarHBondContact O-N 2.99Å; Y185-R220 HydrophobicContact CE1-CG 4.29Å; Y185-R220 HydrophobicContact CE2-CG 4.48Å; Y185-R220 VanDerWaalsContact CE2-NH1 3.34Å; Y185-R220 PolarHBondContact OH-NH1 3.22Å
186V98Very high96.6Very high20 Ų2056.4 Ų56.412%0.12130%0.3CS..BIsolated β-bridgetrans-108.4156.7172-60.40000112.2K184 N191 L192 R193K184-V186 HydrophobicContact CG-CG2 4.48Å; K184-V186 WeakPolarHBondContact CG-O 3.28Å; V186-N191 CarbonylContact C-O 3.49Å; V186-N191 WeakPolarHBondContact CA-O 3.44Å; V186-N191 WeakPolarHBondContact CB-O 3.14Å; V186-L192 HydrophobicContact CG1-CD2 4.35Å; V186-R193 PolarHBondContact O-NE 2.98Å
187D96.7Very high96.4Very high39 Ų3965.2 Ų65.221%0.20934%0.341CS..  trans-79.7-157.9171.963.315.3000112.1K184 E189 G190 N191K184-D187 PolarHBondContact NZ-O 3.45Å; D187-E189 WeakPolarHBondContact OD1-CA 3.42Å; D187-E189 PolarHBondContact OD1-N 2.87Å; D187-G190 PolarHBondContact OD1-N 3.17Å; D187-N191 PolarHBondContact N-O 3.26Å; D187-N191 PolarHBondContact OD1-N 3.31Å; D187-N191 WeakPolarHBondContact OD2-CB 3.07Å; D187-N191 PolarHBondContact OD2-ND2 3.31Å; D187-N191 VanDerWaalsContact OD2-ND2 3.14Å
188A94.1Very high96Very high88 Ų8869 Ų6973%0.72736%0.363SS*.SBendtrans-82.2-25.4178.400000111.7
189E96.1Very high95.8Very high143 Ų14368.4 Ų68.467%0.66836%0.36SS*.SBendtrans-86.9-10.7-179.3-60.969-149.500112.1D187 N191D187-E189 WeakPolarHBondContact OD1-CA 3.42Å; D187-E189 PolarHBondContact OD1-N 2.87Å; E189-N191 WeakPolarHBondContact CB-ND2 3.45Å
190G94.2Very high95.7Very high47 Ų4769.1 Ų69.149%0.48537%0.368SS..SBendtrans934.8179.500000114.1D187D187-G190 PolarHBondContact OD1-N 3.17Å
191N97.2Very high95.7Very high96 Ų9670.3 Ų70.351%0.51337%0.372SS..PPolyproline II helixtrans-77.5150.4176.8-46.3-66.8000110.9V186 D187 E189 R193V186-N191 CarbonylContact C-O 3.49Å; V186-N191 WeakPolarHBondContact CA-O 3.44Å; V186-N191 WeakPolarHBondContact CB-O 3.14Å; D187-N191 PolarHBondContact N-O 3.26Å; D187-N191 PolarHBondContact OD1-N 3.31Å; D187-N191 WeakPolarHBondContact OD2-CB 3.07Å; D187-N191 PolarHBondContact OD2-ND2 3.31Å; D187-N191 VanDerWaalsContact OD2-ND2 3.14Å; E189-N191 WeakPolarHBondContact CB-ND2 3.45Å; N191-R193 PolarHBondContact O-N 3.13Å
192L97.3Very high95.6Very high77 Ų7773.1 Ų73.140%0.40338%0.38SS..BIsolated β-bridgetrans-63.7130.4174.8-63.6175.4000110.3Y185 V186 E283Y185-L192 HydrophobicContact CD2-CD2 3.5Å; Y185-L192 VanDerWaalsContact CD2-CD2 3.5Å; Y185-L192 HydrophobicContact CE2-CD2 3.51Å; V186-L192 HydrophobicContact CG1-CD2 4.35Å; L192-E283 HydrophobicContact CD1-CB 3.76Å; L192-E283 VanDerWaalsContact CD1-O 3.24Å; L192-E283 WeakPolarHBondContact CD1-O 3.31Å
193R97.3Very high95.4Very high105 Ų10573.9 Ų73.940%0.39639%0.388SS..PPolyproline II helixtrans-68.5144.9170.1-69.8176.2174.5-96-2.9109.6K184 Y185 V186 N191K184-R193 WeakPolarHBondContact O-CD 3.07Å; Y185-R193 WeakPolarHBondContact O-CB 3.26Å; Y185-R193 PolarHBondContact O-N 2.99Å; V186-R193 PolarHBondContact O-NE 2.98Å; N191-R193 PolarHBondContact O-N 3.13Å
194P95.4Very high95.4Very high109 Ų10974 Ų7471%0.70839%0.393SS*.PPolyproline II helixtrans-60.1146.9177.125.5-34.1000111.1
195E96.4Very high95.3Very high100 Ų10071.8 Ų71.847%0.46739%0.385SS..PPolyproline II helixtrans-58.9141.6170-172.3167.4-169.200109.8D217 F282E195-D217 HydrophobicContact CG-CB 4.03Å; E195-F282 HydrophobicContact CB-CD1 3.86Å; E195-F282 HydrophobicContact CB-CD2 4.38Å; E195-F282 HydrophobicContact CB-CE1 3.72Å; E195-F282 HydrophobicContact CB-CE2 4.28Å; E195-F282 HydrophobicContact CB-CG 4.19Å; E195-F282 HydrophobicContact CB-CZ 3.94Å; E195-F282 HydrophobicContact CG-CD1 4.28Å; E195-F282 HydrophobicContact CG-CD2 3.91Å; E195-F282 HydrophobicContact CG-CE1 4.26Å; E195-F282 HydrophobicContact CG-CE2 3.91Å; E195-F282 HydrophobicContact CG-CG 4.11Å; E195-F282 HydrophobicContact CG-CZ 4.08Å
196R95.8Very high95.3Very high96 Ų9674.8 Ų74.836%0.36240%0.396SS..  trans-109.1141.4179.6-61.8176.1-64.1146.812.3109.8R183 I199 D217R183-R196 VanDerWaalsContact CZ-NE 3.32Å; R196-I199 HydrophobicContact CB-CG2 3.67Å; R196-D217 HydrophobicContact CB-CB 4.28Å; R196-D217 IonicContact CZ-OD1 3.58Å; R196-D217 IonicContact CZ-OD2 2.6Å; R196-D217 PolarHBondContact N-OD2 2.61Å; R196-D217 IonicContact NE-OD1 2.85Å; R196-D217 IonicContact NE-OD2 3.17Å; R196-D217 PolarHBondContact NE-OD2 2.95Å; R196-D217 IonicContact NH2-OD1 3.71Å; R196-D217 PolarHBondContact NH2-OD1 2.93Å; R196-D217 IonicContact NH2-OD2 3.69Å; R196-D217 PolarHBondContact NH2-OD2 3.34Å; R196-D217 WeakPolarHBondContact O-CB 3.32Å
197E93.7Very high95.3Very high187 Ų18774.5 Ų74.587%0.87439%0.393SS*.SBendtrans-82.7148.7175.3-62.3179.8179.700111.3I199E197-I199 PolarHBondContact O-N 3.18Å
198D87.6Confident95.4Very high126 Ų12672.9 Ų72.967%0.67439%0.385SS*.  trans40.559.6170.9-16620.6000115.3G200D198-G200 PolarHBondContact O-N 3.19Å
199I92Very high95.5Very high22 Ų2268.8 Ų68.811%0.11335%0.351CS..  trans-77.9-4.7-17864.1148.6000113R196 E197 R202 M215 Q216 D217R196-I199 HydrophobicContact CB-CG2 3.67Å; E197-I199 PolarHBondContact O-N 3.18Å; I199-R202 HydrophobicContact CD1-CG 4.35Å; I199-R202 PolarHBondContact O-NH1 3.16Å; I199-R202 PolarHBondContact O-NH2 2.77Å; I199-M215 PolarHBondContact N-O 3.08Å; I199-M215 VanDerWaalsContact N-O 3.09Å; I199-Q216 WeakPolarHBondContact CD1-O 3.39Å; I199-Q216 VanDerWaalsContact CG1-O 3.29Å; I199-Q216 WeakPolarHBondContact CG1-O 3.44Å; I199-D217 HydrophobicContact CG2-CB 4.28Å
200G94.5Very high95.6Very high19 Ų1964 Ų6420%0.19633%0.33CS..  trans67.1164.4-168.300000113.3D198 R202D198-G200 PolarHBondContact O-N 3.19Å; G200-R202 PolarHBondContact O-N 2.93Å; G200-R202 PolarHBondContact O-NH1 3.24Å
201F95.9Very high95.7Very high31 Ų3162.2 Ų62.214%0.13631%0.31CS..  trans-56.2135.5-178.6-178.3-89.5000113.6G203 V205 A208 A212 H213 K247F201-G203 WeakPolarHBondContact CE1-O 3.33Å; F201-V205 HydrophobicContact CE1-CG2 3.94Å; F201-V205 HydrophobicContact CZ-CB 4.29Å; F201-V205 HydrophobicContact CZ-CG2 3.82Å; F201-A208 HydrophobicContact CE2-CB 3.9Å; F201-A208 HydrophobicContact CZ-CB 3.78Å; F201-A212 WeakPolarHBondContact CD2-O 3.29Å; F201-A212 HydrophobicContact CE2-CB 4.46Å; F201-H213 AromaticContact CE2-CE1 3.9Å; F201-H213 AromaticContact CE2-ND1 3.74Å; F201-K247 HydrophobicContact CB-CD 4.27Å; F201-K247 HydrophobicContact CD1-CD 4.07Å; F201-K247 VanDerWaalsContact CD1-NZ 3.33Å; F201-K247 HydrophobicContact CD2-CD 4.11Å; F201-K247 HydrophobicContact CG-CD 3.87Å
202R93.3Very high95.8Very high93 Ų9357.7 Ų57.735%0.35129%0.287SS..  trans-133152171.1-65.7-62-177.9-68.5-6111.1I199 G200 L218I199-R202 HydrophobicContact CD1-CG 4.35Å; I199-R202 PolarHBondContact O-NH1 3.16Å; I199-R202 PolarHBondContact O-NH2 2.77Å; G200-R202 PolarHBondContact O-N 2.93Å; G200-R202 PolarHBondContact O-NH1 3.24Å; R202-L218 HydrophobicContact CB-CD1 4.11Å
203G94.8Very high95.8Very high18 Ų1854.5 Ų54.519%0.18627%0.27CS..SBendtrans92.5-166.1178.400000114.4R155 D156 F201R155-G203 WeakPolarHBondContact O-CA 3.4Å; D156-G203 WeakPolarHBondContact OD1-CA 3.42Å; F201-G203 WeakPolarHBondContact CE1-O 3.33Å
204T96.3Very high95.7Very high37 Ų3753.7 Ų53.723%0.22727%0.27CS..  trans-97117.1-179.5-66.20000110.2D156 K158 R206 Y207 A208D156-T204 WeakPolarHBondContact OD1-CB 3.25Å; D156-T204 PolarHBondContact OD1-N 2.93Å; D156-T204 PolarHBondContact OD1-OG1 2.88Å; K158-T204 HydrophobicContact CD-CG2 4.35Å; K158-T204 VanDerWaalsContact CD-OG1 3.3Å; K158-T204 WeakPolarHBondContact CD-OG1 3.08Å; K158-T204 PolarHBondContact NZ-OG1 3.47Å; T204-R206 HydrophobicContact CG2-CB 4.37Å; T204-R206 PolarHBondContact O-N 3.14Å; T204-Y207 HydrophobicContact CG2-CD2 3.73Å; T204-Y207 HydrophobicContact CG2-CE2 4.08Å; T204-Y207 PolarHBondContact O-N 2.83Å; T204-A208 WeakPolarHBondContact O-CB 3.38Å; T204-A208 PolarHBondContact O-N 2.8Å
205V97.3Very high95.8Very high29 Ų2952.4 Ų52.418%0.17626%0.256CS..THydrogen-bonded Turntrans-38.3-44.6-176.2-176.90000113.7F201 Y207 H213 K247 V250F201-V205 HydrophobicContact CE1-CG2 3.94Å; F201-V205 HydrophobicContact CZ-CB 4.29Å; F201-V205 HydrophobicContact CZ-CG2 3.82Å; V205-Y207 PolarHBondContact O-N 3.31Å; V205-H213 PolarHBondContact O-NE2 3.25Å; V205-K247 HydrophobicContact CG1-CG 4.25Å; V205-K247 HydrophobicContact CG2-CG 3.83Å; V205-V250 HydrophobicContact CG1-CB 3.87Å; V205-V250 HydrophobicContact CG1-CG1 4.12Å; V205-V250 HydrophobicContact CG1-CG2 3.74Å
206R97.3Very high95.8Very high88 Ų8850.8 Ų50.833%0.33225%0.248SC..THydrogen-bonded Turntrans-61.5-42.6-179.6-172.9-177.1-62144.3-0.6113.4T204 E233 L239 W241 R242 K254T204-R206 HydrophobicContact CG2-CB 4.37Å; T204-R206 PolarHBondContact O-N 3.14Å; R206-E233 WeakPolarHBondContact CD-OE1 3.26Å; R206-E233 IonicContact NH1-OE1 3.89Å; R206-L239 HydrophobicContact CG-CD1 3.73Å; R206-W241 PolarHBondContact O-NE1 3.44Å; R206-R242 PolarHBondContact NH2-O 2.77Å; R206-K254 PolarHBondContact O-NZ 3.41Å; R206-K254 VanDerWaalsContact O-NZ 3.1Å
207Y98.2Very high95.9Very high14 Ų1446.2 Ų46.26%0.05523%0.231CC..THydrogen-bonded Turntrans-104.6-20-172.6-48.5-69.1000113K158 T204 V205 S226 Y229 V230 E233 L239K158-Y207 HydrophobicContact CB-CD2 3.58Å; K158-Y207 HydrophobicContact CB-CE2 3.65Å; K158-Y207 HydrophobicContact CB-CG 4.45Å; T204-Y207 HydrophobicContact CG2-CD2 3.73Å; T204-Y207 HydrophobicContact CG2-CE2 4.08Å; T204-Y207 PolarHBondContact O-N 2.83Å; V205-Y207 PolarHBondContact O-N 3.31Å; Y207-S226 VanDerWaalsContact O-CA 3.28Å; Y207-S226 WeakPolarHBondContact O-CA 3.28Å; Y207-S226 PolarHBondContact O-OG 3.49Å; Y207-Y229 WeakPolarHBondContact O-CD2 3.26Å; Y207-V230 HydrophobicContact CD1-CG2 3.73Å; Y207-V230 HydrophobicContact CE1-CG2 4.02Å; Y207-V230 HydrophobicContact CG-CG2 4.08Å; Y207-E233 WeakPolarHBondContact CE1-OE2 3.47Å; Y207-E233 PolarHBondContact OH-OE2 3.34Å; Y207-L239 HydrophobicContact CD1-CD1 4.1Å; Y207-L239 HydrophobicContact CE1-CD1 4.08Å
208A97.9Very high96.1Very high5 Ų537.6 Ų37.64%0.04119%0.191CC..  trans-55.1141.3-178.200000112.8F201 T204 A212 K254F201-A208 HydrophobicContact CE2-CB 3.9Å; F201-A208 HydrophobicContact CZ-CB 3.78Å; T204-A208 WeakPolarHBondContact O-CB 3.38Å; T204-A208 PolarHBondContact O-N 2.8Å; A208-A212 HydrophobicContact CB-CB 3.81Å; A208-K254 PolarHBondContact O-NZ 3.15Å
209S97.9Very high96.6Very high2 Ų231.9 Ų31.91%0.01416%0.161CC..  trans-62.8168.6177.963.90000112.7A211 A212 H213 D222S209-A211 VanDerWaalsContact C-N 3.32Å; S209-A212 WeakPolarHBondContact O-CB 3.13Å; S209-A212 PolarHBondContact O-N 3.36Å; S209-A212 PolarHBondContact OG-N 2.87Å; S209-H213 PolarHBondContact O-CD2 2.75Å; S209-H213 PolarHBondContact O-N 3.18Å; S209-D222 WeakPolarHBondContact CB-OD1 3.38Å; S209-D222 PolarHBondContact OG-OD1 3.41Å
210L97.2Very high96.9Very high44 Ų4431.7 Ų31.723%0.2316%0.159CC..Hα-helixtrans-61.6-41.5172.6-77.8173.2000111.4A212 H213 E214 Q251 K254 E255L210-A212 PolarHBondContact O-N 3.07Å; L210-H213 CarbonylContact O-C 3.48Å; L210-H213 WeakPolarHBondContact O-CA 3.34Å; L210-H213 WeakPolarHBondContact O-CB 3.34Å; L210-H213 PolarHBondContact O-N 3.44Å; L210-E214 WeakPolarHBondContact O-CG 3.46Å; L210-E214 PolarHBondContact O-N 3.05Å; L210-Q251 HydrophobicContact CD2-CG 4.12Å; L210-K254 HydrophobicContact CD2-CB 3.67Å; L210-K254 HydrophobicContact CD2-CD 4.46Å; L210-K254 HydrophobicContact CG-CB 4.35Å; L210-E255 HydrophobicContact CD1-CG 4.49Å; L210-E255 HydrophobicContact CD2-CG 3.93Å
211A97.1Very high97.1Very high8 Ų833 Ų337%0.06616%0.158CC..Hα-helixtrans-52.9-39.8173.100000112.7S209 H213 E214 M215 Q216 L218S209-A211 VanDerWaalsContact C-N 3.32Å; A211-H213 PolarHBondContact O-N 2.81Å; A211-E214 CarbonylContact O-C 3.54Å; A211-E214 PolarHBondContact O-N 2.79Å; A211-M215 PolarHBondContact O-N 3.26Å; A211-Q216 HydrophobicContact CB-CB 4.12Å; A211-Q216 VanDerWaalsContact CB-OE1 3.25Å; A211-Q216 PolarHBondContact O-N 3.34Å; A211-L218 HydrophobicContact CB-CD2 4.34Å
212A97.6Very high97.2Very high2 Ų231.8 Ų31.82%0.01715%0.153CC..Hα-helixtrans-65.8-36.9175.500000113.4F201 A208 S209 L210 M215 L218F201-A212 WeakPolarHBondContact CD2-O 3.29Å; F201-A212 HydrophobicContact CE2-CB 4.46Å; A208-A212 HydrophobicContact CB-CB 3.81Å; S209-A212 WeakPolarHBondContact O-CB 3.13Å; S209-A212 PolarHBondContact O-N 3.36Å; S209-A212 PolarHBondContact OG-N 2.87Å; L210-A212 PolarHBondContact O-N 3.07Å; A212-M215 PolarHBondContact O-N 2.86Å; A212-L218 HydrophobicContact CB-CD1 4.13Å; A212-L218 HydrophobicContact CB-CD2 3.72Å
213H97.3Very high97.5Very high9 Ų927.4 Ų27.44%0.04214%0.136CC..Hα-helixtrans-69.3-36.1173.3-72.9-74.2000112F201 V205 S209 L210 A211 M215 K247 Q251F201-H213 AromaticContact CE2-CE1 3.9Å; F201-H213 AromaticContact CE2-ND1 3.74Å; V205-H213 PolarHBondContact O-NE2 3.25Å; S209-H213 PolarHBondContact O-CD2 2.75Å; S209-H213 PolarHBondContact O-N 3.18Å; L210-H213 CarbonylContact O-C 3.48Å; L210-H213 WeakPolarHBondContact O-CA 3.34Å; L210-H213 WeakPolarHBondContact O-CB 3.34Å; L210-H213 PolarHBondContact O-N 3.44Å; A211-H213 PolarHBondContact O-N 2.81Å; H213-M215 PolarHBondContact O-N 3.27Å; H213-K247 PolarHBondContact ND1-O 3.44Å; H213-Q251 HydrophobicContact CB-CB 3.78Å; H213-Q251 HydrophobicContact CB-CG 3.71Å
214E96.6Very high97.7Very high88 Ų8826.5 Ų26.541%0.41113%0.127SC..THydrogen-bonded Turntrans-77.11.6175.2-67166.6-164.500113.5L210 A211 Q216L210-E214 WeakPolarHBondContact O-CG 3.46Å; L210-E214 PolarHBondContact O-N 3.05Å; A211-E214 CarbonylContact O-C 3.54Å; A211-E214 PolarHBondContact O-N 2.79Å; E214-Q216 HydrophobicContact CB-CG 4.25Å; E214-Q216 PolarHBondContact O-N 3.09Å; E214-Q216 PolarHBondContact OE2-NE2 2.9Å
215M96.5Very high97.8Very high82 Ų8226.1 Ų26.140%0.40412%0.122SC..THydrogen-bonded Turntrans62.720.1177.5-46.3-169.4-157.600114.9I199 A211 A212 H213I199-M215 PolarHBondContact N-O 3.08Å; I199-M215 VanDerWaalsContact N-O 3.09Å; A211-M215 PolarHBondContact O-N 3.26Å; A212-M215 PolarHBondContact O-N 2.86Å; H213-M215 PolarHBondContact O-N 3.27Å
216Q97.1Very high97.9Very high66 Ų6625.1 Ų25.131%0.30812%0.116SC..PPolyproline II helixtrans-70.8159.8172.2-67.61675.900111.1I199 A211 E214I199-Q216 WeakPolarHBondContact CD1-O 3.39Å; I199-Q216 VanDerWaalsContact CG1-O 3.29Å; I199-Q216 WeakPolarHBondContact CG1-O 3.44Å; A211-Q216 HydrophobicContact CB-CB 4.12Å; A211-Q216 VanDerWaalsContact CB-OE1 3.25Å; A211-Q216 PolarHBondContact O-N 3.34Å; E214-Q216 HydrophobicContact CB-CG 4.25Å; E214-Q216 PolarHBondContact O-N 3.09Å; E214-Q216 PolarHBondContact OE2-NE2 2.9Å
217D97.3Very high98Very high0 Ų020.9 Ų20.90%010%0.1CC..PPolyproline II helixtrans-65.3145170.2-153.74.9000109.9R183 E195 R196 I199 F282R183-D217 IonicContact CZ-OD2 2.72Å; R183-D217 IonicContact NH1-OD1 3.04Å; R183-D217 IonicContact NH1-OD2 2.6Å; R183-D217 PolarHBondContact NH1-OD2 2.93Å; R183-D217 VanDerWaalsContact NH1-OD2 3.15Å; R183-D217 IonicContact NH2-OD2 3.02Å; E195-D217 HydrophobicContact CG-CB 4.03Å; R196-D217 HydrophobicContact CB-CB 4.28Å; R196-D217 IonicContact CZ-OD1 3.58Å; R196-D217 IonicContact CZ-OD2 2.6Å; R196-D217 PolarHBondContact N-OD2 2.61Å; R196-D217 IonicContact NE-OD1 2.85Å; R196-D217 IonicContact NE-OD2 3.17Å; R196-D217 PolarHBondContact NE-OD2 2.95Å; R196-D217 IonicContact NH2-OD1 3.71Å; R196-D217 PolarHBondContact NH2-OD1 2.93Å; R196-D217 IonicContact NH2-OD2 3.69Å; R196-D217 PolarHBondContact NH2-OD2 3.34Å; R196-D217 WeakPolarHBondContact O-CB 3.32Å; I199-D217 HydrophobicContact CG2-CB 4.28Å; D217-F282 HydrophobicContact CB-CE2 3.75Å; D217-F282 HydrophobicContact CB-CZ 4.25Å
218L98.2Very high98Very high6 Ų620.2 Ų20.23%0.03110%0.097CC..PPolyproline II helixtrans-96.2144.2-177.8-56.9-175.7000109.6I153 R155 R202 A211 A212 D222I153-L218 HydrophobicContact CD1-CB 4.27Å; I153-L218 WeakPolarHBondContact CD1-O 3.29Å; R155-L218 HydrophobicContact CB-CD1 4.06Å; R155-L218 HydrophobicContact CG-CB 4.1Å; R155-L218 HydrophobicContact CG-CD1 4.07Å; R202-L218 HydrophobicContact CB-CD1 4.11Å; A211-L218 HydrophobicContact CB-CD2 4.34Å; A212-L218 HydrophobicContact CB-CD1 4.13Å; A212-L218 HydrophobicContact CB-CD2 3.72Å; L218-D222 WeakPolarHBondContact CA-OD2 3.2Å; L218-D222 HydrophobicContact CB-CB 4.15Å; L218-D222 HydrophobicContact CD2-CB 4.07Å
219S98.2Very high98Very high6 Ų620.2 Ų20.24%0.04210%0.096CC..  trans-127.5-173.3175.494.60000111.3R221 D222 F282S219-R221 PolarHBondContact O-N 2.99Å; S219-R221 VanDerWaalsContact O-N 3.16Å; S219-R221 PolarHBondContact OG-N 3.11Å; S219-D222 PolarHBondContact N-OD2 2.83Å; S219-D222 WeakPolarHBondContact O-CB 3.48Å; S219-D222 PolarHBondContact O-N 3.3Å; S219-F282 WeakPolarHBondContact CB-O 3.36Å; S219-F282 PolarHBondContact OG-O 3.11Å
220R98.7Very high98.1Very high19 Ų1920.1 Ų20.17%0.07210%0.095CC..Hα-helixtrans-55.9-31.3-179.7-65.2176-72-150.9-2.2112.7H148 I153 Y185 D222 E283 D284 P286H148-R220 HydrophobicContact CB-CG 4.21Å; H148-R220 PolarHBondContact CE1-O 2.85Å; I153-R220 HydrophobicContact CG2-CB 4.44Å; I153-R220 HydrophobicContact CG2-CG 3.76Å; Y185-R220 HydrophobicContact CE1-CG 4.29Å; Y185-R220 HydrophobicContact CE2-CG 4.48Å; Y185-R220 VanDerWaalsContact CE2-NH1 3.34Å; Y185-R220 PolarHBondContact OH-NH1 3.22Å; R220-D222 VanDerWaalsContact C-N 3.27Å; R220-D222 PolarHBondContact O-N 2.92Å; R220-E283 PolarHBondContact NH2-O 2.88Å; R220-D284 PolarHBondContact NE-O 2.9Å; R220-D284 PolarHBondContact NH2-O 2.96Å; R220-P286 HydrophobicContact CB-CG 3.97Å
221R98.5Very high98.1Very high47 Ų4718 Ų1818%0.1779%0.085CC..Hα-helixtrans-65.8-30.7178.974-175176.8171.5-2.2112.4S219 L224 W225 L280S219-R221 PolarHBondContact O-N 2.99Å; S219-R221 VanDerWaalsContact O-N 3.16Å; S219-R221 PolarHBondContact OG-N 3.11Å; R221-L224 PolarHBondContact O-N 2.81Å; R221-W225 VanDerWaalsContact O-CD1 3.29Å; R221-W225 PolarHBondContact O-N 2.76Å; R221-L280 HydrophobicContact CB-CB 3.92Å; R221-L280 HydrophobicContact CB-CD1 3.93Å; R221-L280 VanDerWaalsContact CD-O 3.3Å; R221-L280 WeakPolarHBondContact CD-O 3.46Å; R221-L280 PolarHBondContact NH1-O 3.32Å
222D98.7Very high98.2Very high4 Ų417.7 Ų17.72%0.0218%0.082CC..Hα-helixtrans-75.2-32.1-174.6-62.5-70.7000112.6S209 L218 S219 R220 L224 W225 S226S209-D222 WeakPolarHBondContact CB-OD1 3.38Å; S209-D222 PolarHBondContact OG-OD1 3.41Å; L218-D222 WeakPolarHBondContact CA-OD2 3.2Å; L218-D222 HydrophobicContact CB-CB 4.15Å; L218-D222 HydrophobicContact CD2-CB 4.07Å; S219-D222 PolarHBondContact N-OD2 2.83Å; S219-D222 WeakPolarHBondContact O-CB 3.48Å; S219-D222 PolarHBondContact O-N 3.3Å; R220-D222 VanDerWaalsContact C-N 3.27Å; R220-D222 PolarHBondContact O-N 2.92Å; D222-L224 VanDerWaalsContact C-N 3.31Å; D222-W225 PolarHBondContact O-N 3.23Å; D222-S226 WeakPolarHBondContact O-CB 3.14Å; D222-S226 PolarHBondContact O-N 2.77Å; D222-S226 PolarHBondContact O-OG 3.3Å
223D98.9Very high98.2Very high1 Ų117.9 Ų17.91%0.0058%0.082CC..Hα-helixtrans-65-37170-78.7-19.6000111.2I144 H148 H154 R155 I157 S226 L227I144-D223 HydrophobicContact CG2-CB 4.25Å; H148-D223 IonicContact CE1-OD2 3.31Å; H148-D223 IonicContact NE2-OD2 3.61Å; H148-D223 PolarHBondContact NE2-OD2 3.33Å; H154-D223 PolarHBondContact N-OD2 3.27Å; R155-D223 VanDerWaalsContact CA-OD1 3.29Å; R155-D223 WeakPolarHBondContact CA-OD1 3.42Å; R155-D223 PolarHBondContact N-OD1 2.82Å; I157-D223 HydrophobicContact CG1-CB 3.81Å; D223-S226 WeakPolarHBondContact O-CB 3.38Å; D223-S226 PolarHBondContact O-N 2.84Å; D223-L227 PolarHBondContact O-N 3.39Å
224L98.9Very high98.3Very high0 Ų017.4 Ų17.40%08%0.08CC..Hα-helixtrans-75.6-34.1176.1-64.1175.6000113.2I144 R221 D222 S226 L227 F228 F273 L277 P286 Y288 L291I144-L224 HydrophobicContact CG2-CD2 4.04Å; R221-L224 PolarHBondContact O-N 2.81Å; D222-L224 VanDerWaalsContact C-N 3.31Å; L224-S226 VanDerWaalsContact C-N 3.28Å; L224-S226 PolarHBondContact O-N 2.86Å; L224-L227 HydrophobicContact CD2-CD2 4.32Å; L224-L227 WeakPolarHBondContact O-CB 3.42Å; L224-L227 PolarHBondContact O-N 3.09Å; L224-F228 PolarHBondContact O-N 2.93Å; L224-F273 HydrophobicContact CB-CE1 4.35Å; L224-F273 HydrophobicContact CD2-CZ 4.38Å; L224-L277 HydrophobicContact CB-CD1 4.33Å; L224-L277 HydrophobicContact CB-CD2 3.6Å; L224-L277 HydrophobicContact CD1-CD2 4Å; L224-L277 HydrophobicContact CG-CD2 4.48Å; L224-P286 HydrophobicContact CD1-CB 3.37Å; L224-P286 HydrophobicContact CD1-CG 3.5Å; L224-Y288 HydrophobicContact CD1-CE1 4.03Å; L224-Y288 HydrophobicContact CD2-CE1 4.3Å; L224-L291 HydrophobicContact CD1-CD1 3.86Å; L224-L291 HydrophobicContact CD2-CD1 4.3Å
225W98.7Very high98.4Very high28 Ų2813.7 Ų13.711%0.1066%0.063CC..Hα-helixtrans-60-43.2167.9-85.2117.6000111.1R221 D222 L227 F228 Y229 P259 V274 L277 R278R221-W225 VanDerWaalsContact O-CD1 3.29Å; R221-W225 PolarHBondContact O-N 2.76Å; D222-W225 PolarHBondContact O-N 3.23Å; W225-L227 VanDerWaalsContact C-N 3.33Å; W225-L227 PolarHBondContact O-N 2.98Å; W225-F228 HydrophobicContact CE3-CD1 4.37Å; W225-F228 HydrophobicContact CZ3-CD1 4.35Å; W225-F228 PolarHBondContact O-N 2.8Å; W225-Y229 WeakPolarHBondContact O-CD2 3.24Å; W225-Y229 PolarHBondContact O-N 2.6Å; W225-P259 HydrophobicContact CE3-CG 4.41Å; W225-P259 HydrophobicContact CH2-CB 4.29Å; W225-P259 HydrophobicContact CH2-CG 3.92Å; W225-P259 HydrophobicContact CZ3-CB 3.8Å; W225-P259 HydrophobicContact CZ3-CG 3.48Å; W225-P259 VanDerWaalsContact CZ3-CG 3.48Å; W225-V274 HydrophobicContact CH2-CG1 4.28Å; W225-L277 HydrophobicContact CB-CD1 4.44Å; W225-L277 HydrophobicContact CD2-CB 4.16Å; W225-L277 HydrophobicContact CD2-CD1 3.53Å; W225-L277 HydrophobicContact CE3-CD1 3.6Å; W225-L277 HydrophobicContact CG-CD1 3.92Å; W225-L277 HydrophobicContact CH2-CB 3.91Å; W225-L277 HydrophobicContact CH2-CD1 4.35Å; W225-L277 HydrophobicContact CZ2-CB 3.49Å; W225-L277 VanDerWaalsContact CZ2-CB 3.49Å; W225-L277 HydrophobicContact CZ2-CD1 4.3Å; W225-L277 HydrophobicContact CZ3-CB 4.39Å; W225-L277 HydrophobicContact CZ3-CD1 4Å; W225-R278 HydrophobicContact CH2-CG 4.32Å; W225-R278 HydrophobicContact CZ2-CG 4.4Å
226S98.8Very high98.4Very high8 Ų811.9 Ų11.96%0.0566%0.057CC..Hα-helixtrans-62.2-41.9175.1-58.50000111.6Y207 D222 D223 L224 Y229 V230Y207-S226 VanDerWaalsContact O-CA 3.28Å; Y207-S226 WeakPolarHBondContact O-CA 3.28Å; Y207-S226 PolarHBondContact O-OG 3.49Å; D222-S226 WeakPolarHBondContact O-CB 3.14Å; D222-S226 PolarHBondContact O-N 2.77Å; D222-S226 PolarHBondContact O-OG 3.3Å; D223-S226 WeakPolarHBondContact O-CB 3.38Å; D223-S226 PolarHBondContact O-N 2.84Å; L224-S226 VanDerWaalsContact C-N 3.28Å; L224-S226 PolarHBondContact O-N 2.86Å; S226-Y229 PolarHBondContact O-N 2.88Å; S226-V230 WeakPolarHBondContact O-CG2 3.37Å; S226-V230 PolarHBondContact O-N 3.29Å
227L98.9Very high98.5Very high0 Ų09.2 Ų9.20%05%0.047CC..Hα-helixtrans-59.7-44.4173.2-17962.4000112.1M140 I141 I144 I157 D223 L224 W225 Y229 V230 C231 F273M140-L227 HydrophobicContact CB-CD1 3.6Å; M140-L227 HydrophobicContact CB-CD2 4.24Å; M140-L227 HydrophobicContact CG-CD1 4.14Å; M140-L227 HydrophobicContact SD-CD1 3.56Å; M140-L227 VanDerWaalsContact SD-CD1 3.56Å; I141-L227 HydrophobicContact CG1-CD2 3.76Å; I144-L227 HydrophobicContact CD1-CB 4.12Å; I144-L227 HydrophobicContact CD1-CD1 4.43Å; I144-L227 HydrophobicContact CD1-CD2 3.99Å; I144-L227 HydrophobicContact CD1-CG 4.4Å; I157-L227 HydrophobicContact CG2-CB 4.25Å; D223-L227 PolarHBondContact O-N 3.39Å; L224-L227 HydrophobicContact CD2-CD2 4.32Å; L224-L227 WeakPolarHBondContact O-CB 3.42Å; L224-L227 PolarHBondContact O-N 3.09Å; W225-L227 VanDerWaalsContact C-N 3.33Å; W225-L227 PolarHBondContact O-N 2.98Å; L227-Y229 VanDerWaalsContact C-N 3.34Å; L227-Y229 PolarHBondContact O-N 2.91Å; L227-V230 CarbonylContact O-C 3.43Å; L227-V230 WeakPolarHBondContact O-CA 3.21Å; L227-V230 VanDerWaalsContact O-CB 3.32Å; L227-V230 WeakPolarHBondContact O-CB 3.27Å; L227-V230 PolarHBondContact O-N 3.39Å; L227-V230 VanDerWaalsContact O-N 3.08Å; L227-C231 PolarHBondContact O-N 3.32Å; L227-C231 PolarHBondContact O-SG 2.84Å; L227-F273 HydrophobicContact CD2-CE2 4.44Å; L227-F273 HydrophobicContact CD2-CZ 4.07Å
228F98.8Very high98.4Very high0 Ų014.4 Ų14.40%07%0.07CC..Hα-helixtrans-56.9-47177.8168.8-102.4000111.9L224 W225 V230 C231 A232 P259 L262 L266 V274 L277L224-F228 PolarHBondContact O-N 2.93Å; W225-F228 HydrophobicContact CE3-CD1 4.37Å; W225-F228 HydrophobicContact CZ3-CD1 4.35Å; W225-F228 PolarHBondContact O-N 2.8Å; F228-V230 VanDerWaalsContact C-N 3.29Å; F228-V230 PolarHBondContact O-N 2.72Å; F228-C231 PolarHBondContact O-N 3.02Å; F228-A232 PolarHBondContact O-N 3.3Å; F228-P259 HydrophobicContact CD1-CB 4.38Å; F228-P259 HydrophobicContact CE1-CB 3.62Å; F228-P259 HydrophobicContact CE1-CG 4.41Å; F228-P259 HydrophobicContact CZ-CB 4.05Å; F228-L262 HydrophobicContact CE1-CB 4.4Å; F228-L262 HydrophobicContact CE1-CD1 4Å; F228-L262 HydrophobicContact CZ-CB 4.05Å; F228-L262 HydrophobicContact CZ-CD1 4.47Å; F228-L266 HydrophobicContact CE2-CD1 4Å; F228-L266 HydrophobicContact CZ-CD1 4.44Å; F228-V274 HydrophobicContact CD1-CG2 4.34Å; F228-V274 HydrophobicContact CD2-CG2 3.63Å; F228-V274 HydrophobicContact CE1-CG2 4.02Å; F228-V274 HydrophobicContact CE2-CG2 3.24Å; F228-V274 HydrophobicContact CG-CG2 4.17Å; F228-V274 HydrophobicContact CZ-CG2 3.46Å; F228-V274 VanDerWaalsContact CZ-CG2 3.46Å; F228-L277 HydrophobicContact CB-CD1 4.38Å
229Y98.7Very high98.4Very high4 Ų414.2 Ų14.22%0.0167%0.069CC..Hα-helixtrans-64.4-34.6176.5-64.4-56.9000112.6Y207 W225 S226 L227 E233 L239 W241 L262Y207-Y229 WeakPolarHBondContact O-CD2 3.26Å; W225-Y229 WeakPolarHBondContact O-CD2 3.24Å; W225-Y229 PolarHBondContact O-N 2.6Å; S226-Y229 PolarHBondContact O-N 2.88Å; L227-Y229 VanDerWaalsContact C-N 3.34Å; L227-Y229 PolarHBondContact O-N 2.91Å; Y229-E233 WeakPolarHBondContact O-CB 3.29Å; Y229-E233 PolarHBondContact O-N 3.48Å; Y229-L239 HydrophobicContact CD1-CD2 4.3Å; Y229-W241 HydrophobicContact CD1-CH2 4.1Å; Y229-W241 AromaticContact CD1-CZ2 3.65Å; Y229-W241 HydrophobicContact CD1-CZ2 3.65Å; Y229-W241 AromaticContact CE1-CH2 3.72Å; Y229-W241 HydrophobicContact CE1-CH2 3.72Å; Y229-W241 AromaticContact CE1-CZ2 3.64Å; Y229-W241 HydrophobicContact CE1-CZ2 3.64Å; Y229-W241 HydrophobicContact CG-CZ2 4.43Å; Y229-L262 HydrophobicContact CD1-CD1 4.09Å; Y229-L262 HydrophobicContact CE1-CD1 4.1Å
230V98.7Very high98.3Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-61.4-48.9171.9164.60000110.6M140 L159 Y207 S226 L227 F228 A232 E233 M234M140-V230 HydrophobicContact SD-CG1 4.46Å; L159-V230 HydrophobicContact CD1-CG1 4.46Å; L159-V230 HydrophobicContact CD2-CG1 3.47Å; L159-V230 VanDerWaalsContact CD2-CG1 3.47Å; L159-V230 HydrophobicContact CG-CG1 3.69Å; Y207-V230 HydrophobicContact CD1-CG2 3.73Å; Y207-V230 HydrophobicContact CE1-CG2 4.02Å; Y207-V230 HydrophobicContact CG-CG2 4.08Å; S226-V230 WeakPolarHBondContact O-CG2 3.37Å; S226-V230 PolarHBondContact O-N 3.29Å; L227-V230 CarbonylContact O-C 3.43Å; L227-V230 WeakPolarHBondContact O-CA 3.21Å; L227-V230 VanDerWaalsContact O-CB 3.32Å; L227-V230 WeakPolarHBondContact O-CB 3.27Å; L227-V230 PolarHBondContact O-N 3.39Å; L227-V230 VanDerWaalsContact O-N 3.08Å; F228-V230 VanDerWaalsContact C-N 3.29Å; F228-V230 PolarHBondContact O-N 2.72Å; V230-A232 PolarHBondContact O-N 3.4Å; V230-E233 PolarHBondContact O-N 2.99Å; V230-M234 HydrophobicContact CG1-CE 4.41Å; V230-M234 HydrophobicContact CG1-CG 4.4Å; V230-M234 HydrophobicContact CG1-SD 4.48Å; V230-M234 WeakPolarHBondContact O-CG 3.4Å; V230-M234 PolarHBondContact O-N 3.37Å
231C98.7Very high98.2Very high0 Ų016.1 Ų16.10%08%0.083CC..Hα-helixtrans-61-45.2178.5-62.20000112.2T137 L227 F228 E233 M234 I235 Y270T137-C231 PolarHBondContact OG1-SG 3.49Å; L227-C231 PolarHBondContact O-N 3.32Å; L227-C231 PolarHBondContact O-SG 2.84Å; F228-C231 PolarHBondContact O-N 3.02Å; C231-E233 VanDerWaalsContact C-N 3.28Å; C231-E233 PolarHBondContact O-N 3.01Å; C231-M234 HydrophobicContact CB-CE 4.27Å; C231-M234 WeakPolarHBondContact O-CB 3.48Å; C231-M234 PolarHBondContact O-N 3.41Å; C231-M234 VanDerWaalsContact O-N 3.16Å; C231-I235 PolarHBondContact O-N 3.3Å; C231-I235 VanDerWaalsContact O-N 3.09Å; C231-Y270 HydrophobicContact CB-CD1 4.22Å; C231-Y270 HydrophobicContact CB-CE1 3.44Å; C231-Y270 VanDerWaalsContact CB-CE1 3.44Å
232A98.5Very high98Very high2 Ų219.2 Ų19.22%0.01710%0.095CC..Hα-helixtrans-58-42.6175.300000111.3F228 V230 I235 T236 L239 L266F228-A232 PolarHBondContact O-N 3.3Å; V230-A232 PolarHBondContact O-N 3.4Å; A232-I235 PolarHBondContact O-N 3.19Å; A232-T236 WeakPolarHBondContact O-CB 3.44Å; A232-T236 WeakPolarHBondContact O-CG2 3.31Å; A232-T236 PolarHBondContact O-N 3.4Å; A232-T236 PolarHBondContact O-OG1 3.01Å; A232-L239 HydrophobicContact CB-CD2 3.98Å; A232-L266 HydrophobicContact CB-CD1 4.11Å; A232-L266 HydrophobicContact CB-CD2 4.44Å
233E98.2Very high97.8Very high5 Ų525.2 Ų25.22%0.02313%0.127CC..Hα-helixtrans-70.4-33.8176.8-162-173.8-136.400113.3R120 R206 Y207 Y229 V230 C231 I235 G237 L239R120-E233 IonicContact CZ-OE2 3.74Å; R120-E233 IonicContact NE-OE2 3.53Å; R120-E233 IonicContact NH2-OE1 3.43Å; R120-E233 PolarHBondContact NH2-OE1 3.42Å; R120-E233 IonicContact NH2-OE2 3.68Å; R120-E233 PolarHBondContact NH2-OE2 3.15Å; R206-E233 WeakPolarHBondContact CD-OE1 3.26Å; R206-E233 IonicContact NH1-OE1 3.89Å; Y207-E233 WeakPolarHBondContact CE1-OE2 3.47Å; Y207-E233 PolarHBondContact OH-OE2 3.34Å; Y229-E233 WeakPolarHBondContact O-CB 3.29Å; Y229-E233 PolarHBondContact O-N 3.48Å; V230-E233 PolarHBondContact O-N 2.99Å; C231-E233 VanDerWaalsContact C-N 3.28Å; C231-E233 PolarHBondContact O-N 3.01Å; E233-I235 VanDerWaalsContact C-N 3.32Å; E233-G237 CarbonylContact O-C 3.56Å; E233-G237 WeakPolarHBondContact O-CA 3.43Å; E233-G237 PolarHBondContact O-N 3.2Å; E233-L239 HydrophobicContact CB-CD1 4.38Å; E233-L239 HydrophobicContact CB-CG 4.11Å; E233-L239 HydrophobicContact CG-CG 4.46Å
234M98.4Very high97.7Very high0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-59.4-45.6174.3-73.4-166.1-62.500110.8M127 F128 M140 L159 V230 C231M127-M234 CarbonylContact C-O 3.52Å; M127-M234 WeakPolarHBondContact CA-O 3.37Å; F128-M234 HydrophobicContact CD2-CB 4.04Å; F128-M234 HydrophobicContact CD2-CG 3.81Å; F128-M234 HydrophobicContact CD2-SD 3.71Å; F128-M234 HydrophobicContact CE2-CG 4.26Å; F128-M234 HydrophobicContact CE2-SD 4.01Å; F128-M234 PolarHBondContact N-O 2.97Å; M140-M234 HydrophobicContact CE-CE 4.1Å; M140-M234 HydrophobicContact CE-SD 3.91Å; M140-M234 HydrophobicContact SD-CE 4.08Å; L159-M234 HydrophobicContact CD1-CG 3.84Å; L159-M234 HydrophobicContact CD1-SD 4.47Å; L159-M234 HydrophobicContact CD2-CG 4.15Å; L159-M234 HydrophobicContact CD2-SD 3.77Å; V230-M234 HydrophobicContact CG1-CE 4.41Å; V230-M234 HydrophobicContact CG1-CG 4.4Å; V230-M234 HydrophobicContact CG1-SD 4.48Å; V230-M234 WeakPolarHBondContact O-CG 3.4Å; V230-M234 PolarHBondContact O-N 3.37Å; C231-M234 HydrophobicContact CB-CE 4.27Å; C231-M234 WeakPolarHBondContact O-CB 3.48Å; C231-M234 PolarHBondContact O-N 3.41Å; C231-M234 VanDerWaalsContact O-N 3.16Å
235I98.4Very high97.4Very high9 Ų939.2 Ų39.25%0.04618%0.184CC..Hα-helixtrans-79.9-42.9-174.5-68166.4000111.9M127 I130 S133 C231 A232 E233 L266 Y270M127-I235 WeakPolarHBondContact CE-O 3.33Å; I130-I235 HydrophobicContact CD1-CB 4.49Å; I130-I235 HydrophobicContact CD1-CD1 4.41Å; I130-I235 HydrophobicContact CD1-CG1 4.16Å; I130-I235 HydrophobicContact CD1-CG2 3.62Å; S133-I235 VanDerWaalsContact CB-CG1 3.5Å; S133-I235 WeakPolarHBondContact OG-CG1 3.43Å; C231-I235 PolarHBondContact O-N 3.3Å; C231-I235 VanDerWaalsContact O-N 3.09Å; A232-I235 PolarHBondContact O-N 3.19Å; E233-I235 VanDerWaalsContact C-N 3.32Å; I235-L266 HydrophobicContact CB-CD2 3.69Å; I235-L266 HydrophobicContact CD1-CD2 3.82Å; I235-L266 HydrophobicContact CG1-CD2 4.34Å; I235-L266 HydrophobicContact CG2-CD2 3.69Å; I235-Y270 HydrophobicContact CD1-CD2 4.28Å; I235-Y270 HydrophobicContact CD1-CE2 3.55Å
236T97.8Very high97.3Very high44 Ų4442.4 Ų42.427%0.2720%0.203SC..Hα-helixtrans-96.3-8.5-173.565.40000113.6A232 K238 A265 L266A232-T236 WeakPolarHBondContact O-CB 3.44Å; A232-T236 WeakPolarHBondContact O-CG2 3.31Å; A232-T236 PolarHBondContact O-N 3.4Å; A232-T236 PolarHBondContact O-OG1 3.01Å; T236-K238 PolarHBondContact O-N 2.7Å; T236-K238 VanDerWaalsContact O-N 3.15Å; T236-K238 PolarHBondContact OG1-O 3.34Å; T236-A265 HydrophobicContact CG2-CB 3.75Å; T236-L266 HydrophobicContact CG2-CD2 4.01Å
237G97.7Very high97.2Very high10 Ų1046.6 Ų46.610%0.10322%0.22CC..SBendtrans78.5-16.9-177.900000114.4R120 M127 E233R120-G237 PolarHBondContact NH1-O 2.71Å; R120-G237 VanDerWaalsContact NH1-O 3.1Å; M127-G237 VanDerWaalsContact CG-CA 3.49Å; E233-G237 CarbonylContact O-C 3.56Å; E233-G237 WeakPolarHBondContact O-CA 3.43Å; E233-G237 PolarHBondContact O-N 3.2Å
238K96.5Very high97.1Very high109 Ų10955.9 Ų55.947%0.47426%0.255SS..  trans-153.4147.9-176.161.4-179.2-175.5178.10112.6T236 R242T236-K238 PolarHBondContact O-N 2.7Å; T236-K238 VanDerWaalsContact O-N 3.15Å; T236-K238 PolarHBondContact OG1-O 3.34Å; K238-R242 HydrophobicContact CB-CB 4.47Å; K238-R242 HydrophobicContact CB-CG 4.25Å
239L97.3Very high97.1Very high2 Ų257.7 Ų57.71%0.0127%0.27CS..  trans-91.9155.4160-67.2163.3000110.3R206 Y207 Y229 A232 E233 W241 R242 L262R206-L239 HydrophobicContact CG-CD1 3.73Å; Y207-L239 HydrophobicContact CD1-CD1 4.1Å; Y207-L239 HydrophobicContact CE1-CD1 4.08Å; Y229-L239 HydrophobicContact CD1-CD2 4.3Å; A232-L239 HydrophobicContact CB-CD2 3.98Å; E233-L239 HydrophobicContact CB-CD1 4.38Å; E233-L239 HydrophobicContact CB-CG 4.11Å; E233-L239 HydrophobicContact CG-CG 4.46Å; L239-W241 HydrophobicContact CB-CD2 4.4Å; L239-W241 HydrophobicContact CB-CZ2 4.3Å; L239-W241 HydrophobicContact CD1-CZ2 4.31Å; L239-W241 HydrophobicContact CD2-CZ2 4.17Å; L239-W241 HydrophobicContact CG-CZ2 4.49Å; L239-W241 PolarHBondContact O-N 3.48Å; L239-W241 VanDerWaalsContact O-N 3.15Å; L239-R242 VanDerWaalsContact O-CB 3.29Å; L239-R242 WeakPolarHBondContact O-CB 3.47Å; L239-R242 WeakPolarHBondContact O-CG 3.4Å; L239-R242 PolarHBondContact O-N 2.7Å; L239-L262 HydrophobicContact CD2-CD1 4.21Å
240P96.7Very high97Very high64 Ų6457.5 Ų57.542%0.41627%0.269SS..THydrogen-bonded Turntrans-52.1-38.4178.3-27.535000113R242 L262P240-R242 PolarHBondContact O-N 3.02Å; P240-L262 HydrophobicContact CG-CD2 3.83Å
241W97.3Very high97Very high1 Ų159.5 Ų59.50%0.00428%0.279CS..THydrogen-bonded Turntrans-91.318.7179.551.783.7000115R206 Y229 L239 N243 I244 V250 L253 K254 H257 L262R206-W241 PolarHBondContact O-NE1 3.44Å; Y229-W241 HydrophobicContact CD1-CH2 4.1Å; Y229-W241 AromaticContact CD1-CZ2 3.65Å; Y229-W241 HydrophobicContact CD1-CZ2 3.65Å; Y229-W241 AromaticContact CE1-CH2 3.72Å; Y229-W241 HydrophobicContact CE1-CH2 3.72Å; Y229-W241 AromaticContact CE1-CZ2 3.64Å; Y229-W241 HydrophobicContact CE1-CZ2 3.64Å; Y229-W241 HydrophobicContact CG-CZ2 4.43Å; L239-W241 HydrophobicContact CB-CD2 4.4Å; L239-W241 HydrophobicContact CB-CZ2 4.3Å; L239-W241 HydrophobicContact CD1-CZ2 4.31Å; L239-W241 HydrophobicContact CD2-CZ2 4.17Å; L239-W241 HydrophobicContact CG-CZ2 4.49Å; L239-W241 PolarHBondContact O-N 3.48Å; L239-W241 VanDerWaalsContact O-N 3.15Å; W241-N243 PolarHBondContact O-N 3.16Å; W241-I244 HydrophobicContact CB-CD1 4.28Å; W241-I244 PolarHBondContact O-N 3.02Å; W241-I244 VanDerWaalsContact O-N 3.08Å; W241-V250 HydrophobicContact CB-CG1 4.25Å; W241-V250 HydrophobicContact CB-CG2 4.16Å; W241-V250 HydrophobicContact CD2-CG1 4.4Å; W241-V250 HydrophobicContact CG-CG1 3.83Å; W241-L253 HydrophobicContact CB-CB 4.42Å; W241-L253 HydrophobicContact CB-CD1 3.89Å; W241-L253 HydrophobicContact CE3-CB 4.04Å; W241-K254 HydrophobicContact CD2-CG 4.13Å; W241-K254 VanDerWaalsContact CE2-CE 3.46Å; W241-K254 HydrophobicContact CE3-CG 4.02Å; W241-K254 HydrophobicContact CH2-CB 4.49Å; W241-K254 HydrophobicContact CH2-CD 4.47Å; W241-K254 HydrophobicContact CH2-CG 3.57Å; W241-K254 HydrophobicContact CZ2-CD 4.17Å; W241-K254 VanDerWaalsContact CZ2-CE 3.47Å; W241-K254 HydrophobicContact CZ2-CG 3.68Å; W241-K254 HydrophobicContact CZ3-CB 4.45Å; W241-K254 HydrophobicContact CZ3-CG 3.74Å; W241-H257 HydrophobicContact CZ3-CB 4.32Å; W241-L262 HydrophobicContact CH2-CD1 4Å
242R94Very high97Very high112 Ų11265.1 Ų65.142%0.42330%0.303SS..THydrogen-bonded Turntrans-52-33.2-172.458.5157.3177.1-157.25.9115.9R206 K238 L239 P240R206-R242 PolarHBondContact NH2-O 2.77Å; K238-R242 HydrophobicContact CB-CB 4.47Å; K238-R242 HydrophobicContact CB-CG 4.25Å; L239-R242 VanDerWaalsContact O-CB 3.29Å; L239-R242 WeakPolarHBondContact O-CB 3.47Å; L239-R242 WeakPolarHBondContact O-CG 3.4Å; L239-R242 PolarHBondContact O-N 2.7Å; P240-R242 PolarHBondContact O-N 3.02Å
243N93.8Very high96.9Very high130 Ų13066.8 Ų66.870%0.69531%0.312SS*.THydrogen-bonded Turntrans-100.83.2-172.5-69.8-18.1000113W241W241-N243 PolarHBondContact O-N 3.16Å
244I96.5Very high96.9Very high63 Ų6366.7 Ų66.732%0.32331%0.311SS..  trans-100.6129.1-174.8-60.2170.1000108.6W241 A249 V250 L253W241-I244 HydrophobicContact CB-CD1 4.28Å; W241-I244 PolarHBondContact O-N 3.02Å; W241-I244 VanDerWaalsContact O-N 3.08Å; I244-A249 HydrophobicContact CG2-CB 3.68Å; I244-V250 HydrophobicContact CB-CG2 3.86Å; I244-V250 HydrophobicContact CG2-CG2 3.63Å; I244-L253 HydrophobicContact CD1-CD1 3.08Å
245R93.4Very high96.8Very high233 Ų23371.4 Ų71.488%0.87933%0.333SS*.  trans-102.6-26.4179.4-63.2-176.4-178.9-178.30.4112.8K247R245-K247 PolarHBondContact O-N 3.48Å
246D97.1Very high96.6Very high94 Ų9475.8 Ų75.850%0.50335%0.353SS..  trans-67.3126.9179.3179.8-103000110.6R248 A249 V250D246-R248 PolarHBondContact OD1-N 3.24Å; D246-A249 HydrophobicContact CB-CB 3.98Å; D246-A249 PolarHBondContact O-N 2.94Å; D246-A249 WeakPolarHBondContact OD1-CB 3.35Å; D246-A249 PolarHBondContact OD1-N 2.76Å; D246-V250 WeakPolarHBondContact O-CG2 3.25Å; D246-V250 PolarHBondContact O-N 3.26Å; D246-V250 VanDerWaalsContact O-N 3.1Å
247K96.3Very high96.4Very high97 Ų9776.6 Ų76.642%0.42235%0.354SS..Hα-helixtrans-64.7-45-173.2-66.8179.1-179.1177.20111.6F201 V205 H213 R245 V250 Q251F201-K247 HydrophobicContact CB-CD 4.27Å; F201-K247 HydrophobicContact CD1-CD 4.07Å; F201-K247 VanDerWaalsContact CD1-NZ 3.33Å; F201-K247 HydrophobicContact CD2-CD 4.11Å; F201-K247 HydrophobicContact CG-CD 3.87Å; V205-K247 HydrophobicContact CG1-CG 4.25Å; V205-K247 HydrophobicContact CG2-CG 3.83Å; H213-K247 PolarHBondContact ND1-O 3.44Å; R245-K247 PolarHBondContact O-N 3.48Å; K247-V250 PolarHBondContact O-N 3.4Å; K247-Q251 PolarHBondContact O-N 3.19Å
248R96.7Very high96.1Very high195 Ų19577.9 Ų77.974%0.73636%0.36SS*.Hα-helixtrans-66.8-39.4-178.4-68.9-178.6175.9172.3-2.1111.5D246 Q251 K252D246-R248 PolarHBondContact OD1-N 3.24Å; R248-Q251 WeakPolarHBondContact O-CB 3.34Å; R248-Q251 PolarHBondContact O-N 2.84Å; R248-K252 WeakPolarHBondContact O-CB 3.16Å; R248-K252 PolarHBondContact O-N 2.89Å
249A97.8Very high96.1Very high38 Ų3872.9 Ų72.931%0.31434%0.339SS..Hα-helixtrans-64-39.9174.800000112.3I244 D246 L253I244-A249 HydrophobicContact CG2-CB 3.68Å; D246-A249 HydrophobicContact CB-CB 3.98Å; D246-A249 PolarHBondContact O-N 2.94Å; D246-A249 WeakPolarHBondContact OD1-CB 3.35Å; D246-A249 PolarHBondContact OD1-N 2.76Å; A249-L253 WeakPolarHBondContact O-CG 3.36Å; A249-L253 PolarHBondContact O-N 3.36Å; A249-L253 VanDerWaalsContact O-N 3.11Å
250V98Very high96.1Very high0 Ų075.3 Ų75.30%035%0.35CS..Hα-helixtrans-67.1-42.4174.4174.50000111.4V205 W241 I244 D246 K247 L253 K254V205-V250 HydrophobicContact CG1-CB 3.87Å; V205-V250 HydrophobicContact CG1-CG1 4.12Å; V205-V250 HydrophobicContact CG1-CG2 3.74Å; W241-V250 HydrophobicContact CB-CG1 4.25Å; W241-V250 HydrophobicContact CB-CG2 4.16Å; W241-V250 HydrophobicContact CD2-CG1 4.4Å; W241-V250 HydrophobicContact CG-CG1 3.83Å; I244-V250 HydrophobicContact CB-CG2 3.86Å; I244-V250 HydrophobicContact CG2-CG2 3.63Å; D246-V250 WeakPolarHBondContact O-CG2 3.25Å; D246-V250 PolarHBondContact O-N 3.26Å; D246-V250 VanDerWaalsContact O-N 3.1Å; K247-V250 PolarHBondContact O-N 3.4Å; V250-L253 PolarHBondContact O-N 2.77Å; V250-K254 HydrophobicContact CG1-CD 4.31Å; V250-K254 WeakPolarHBondContact O-CG 3.27Å; V250-K254 PolarHBondContact O-N 2.99Å
251Q97.8Very high96.1Very high41 Ų4177.1 Ų77.119%0.19235%0.353CS..Hα-helixtrans-55.9-54.1175.1-179.3-175.3-10.500111.1L210 H213 K247 R248 L253 K254 E255L210-Q251 HydrophobicContact CD2-CG 4.12Å; H213-Q251 HydrophobicContact CB-CB 3.78Å; H213-Q251 HydrophobicContact CB-CG 3.71Å; K247-Q251 PolarHBondContact O-N 3.19Å; R248-Q251 WeakPolarHBondContact O-CB 3.34Å; R248-Q251 PolarHBondContact O-N 2.84Å; Q251-L253 VanDerWaalsContact C-N 3.27Å; Q251-L253 PolarHBondContact O-N 2.94Å; Q251-K254 WeakPolarHBondContact O-CA 3.23Å; Q251-K254 WeakPolarHBondContact O-CB 3.34Å; Q251-K254 PolarHBondContact O-N 2.84Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.39Å; Q251-E255 PolarHBondContact NE2-OE1 3.47Å; Q251-E255 PolarHBondContact O-N 3.31Å
252K97.7Very high96Very high119 Ų11978.2 Ų78.252%0.51736%0.359SS..Hα-helixtrans-55.8-42.8179.2-179.5173.2172.61750112R248 K254 E255 E256R248-K252 WeakPolarHBondContact O-CB 3.16Å; R248-K252 PolarHBondContact O-N 2.89Å; K252-K254 VanDerWaalsContact C-N 3.31Å; K252-K254 PolarHBondContact O-N 2.83Å; K252-E255 WeakPolarHBondContact O-CB 3.49Å; K252-E255 PolarHBondContact O-N 3.45Å; K252-E256 WeakPolarHBondContact CE-OE1 3.43Å; K252-E256 HydrophobicContact CG-CG 4.41Å; K252-E256 IonicContact NZ-OE1 3.86Å; K252-E256 WeakPolarHBondContact O-CB 3.27Å; K252-E256 WeakPolarHBondContact O-CG 3.32Å; K252-E256 PolarHBondContact O-N 2.85Å
253L97.5Very high96.2Very high37 Ų3773.1 Ų73.119%0.19434%0.341CS..Hα-helixtrans-66.4-31.6176.6-75.9170.8000113.4W241 I244 A249 V250 Q251 E255 H257W241-L253 HydrophobicContact CB-CB 4.42Å; W241-L253 HydrophobicContact CB-CD1 3.89Å; W241-L253 HydrophobicContact CE3-CB 4.04Å; I244-L253 HydrophobicContact CD1-CD1 3.08Å; A249-L253 WeakPolarHBondContact O-CG 3.36Å; A249-L253 PolarHBondContact O-N 3.36Å; A249-L253 VanDerWaalsContact O-N 3.11Å; V250-L253 PolarHBondContact O-N 2.77Å; Q251-L253 VanDerWaalsContact C-N 3.27Å; Q251-L253 PolarHBondContact O-N 2.94Å; L253-E255 VanDerWaalsContact C-N 3.35Å; L253-H257 VanDerWaalsContact O-CB 3.24Å; L253-H257 WeakPolarHBondContact O-CB 3.22Å; L253-H257 PolarHBondContact O-N 2.82Å; L253-H257 PolarHBondContact O-ND1 3.37Å
254K97.6Very high96.3Very high2 Ų272.7 Ų72.71%0.00934%0.338CS..Hα-helixtrans-69.6-33.9173.5-73.5-178.9-179.6-146.30112.1R206 A208 L210 W241 V250 Q251 K252 H257R206-K254 PolarHBondContact O-NZ 3.41Å; R206-K254 VanDerWaalsContact O-NZ 3.1Å; A208-K254 PolarHBondContact O-NZ 3.15Å; L210-K254 HydrophobicContact CD2-CB 3.67Å; L210-K254 HydrophobicContact CD2-CD 4.46Å; L210-K254 HydrophobicContact CG-CB 4.35Å; W241-K254 HydrophobicContact CD2-CG 4.13Å; W241-K254 VanDerWaalsContact CE2-CE 3.46Å; W241-K254 HydrophobicContact CE3-CG 4.02Å; W241-K254 HydrophobicContact CH2-CB 4.49Å; W241-K254 HydrophobicContact CH2-CD 4.47Å; W241-K254 HydrophobicContact CH2-CG 3.57Å; W241-K254 HydrophobicContact CZ2-CD 4.17Å; W241-K254 VanDerWaalsContact CZ2-CE 3.47Å; W241-K254 HydrophobicContact CZ2-CG 3.68Å; W241-K254 HydrophobicContact CZ3-CB 4.45Å; W241-K254 HydrophobicContact CZ3-CG 3.74Å; V250-K254 HydrophobicContact CG1-CD 4.31Å; V250-K254 WeakPolarHBondContact O-CG 3.27Å; V250-K254 PolarHBondContact O-N 2.99Å; Q251-K254 WeakPolarHBondContact O-CA 3.23Å; Q251-K254 WeakPolarHBondContact O-CB 3.34Å; Q251-K254 PolarHBondContact O-N 2.84Å; K252-K254 VanDerWaalsContact C-N 3.31Å; K252-K254 PolarHBondContact O-N 2.83Å; K254-H257 CarbonylContact O-C 3.57Å
255E96.3Very high96.3Very high99 Ų9972.7 Ų72.746%0.46335%0.348SS..Hα-helixtrans-70.3-41.2173.9-66.5163.8-179.600111.1L210 Q251 K252 L253L210-E255 HydrophobicContact CD1-CG 4.49Å; L210-E255 HydrophobicContact CD2-CG 3.93Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.39Å; Q251-E255 PolarHBondContact NE2-OE1 3.47Å; Q251-E255 PolarHBondContact O-N 3.31Å; K252-E255 WeakPolarHBondContact O-CB 3.49Å; K252-E255 PolarHBondContact O-N 3.45Å; L253-E255 VanDerWaalsContact C-N 3.35Å
256E95.5Very high96.6Very high102 Ų10262.5 Ų62.548%0.47731%0.31SS..Hα-helixtrans-76.3-27.4179.3-70.4173.5166.500113.8K252 P258K252-E256 WeakPolarHBondContact CE-OE1 3.43Å; K252-E256 HydrophobicContact CG-CG 4.41Å; K252-E256 IonicContact NZ-OE1 3.86Å; K252-E256 WeakPolarHBondContact O-CB 3.27Å; K252-E256 WeakPolarHBondContact O-CG 3.32Å; K252-E256 PolarHBondContact O-N 2.85Å; E256-P258 VanDerWaalsContact O-CD 3.25Å; E256-P258 WeakPolarHBondContact O-CD 3.48Å
257H93.1Very high96.6Very high61 Ų6158.7 Ų58.728%0.28229%0.291SS..SBendtrans-115.579.4178.9-58.673.1000109.2W241 L253 K254W241-H257 HydrophobicContact CZ3-CB 4.32Å; L253-H257 VanDerWaalsContact O-CB 3.24Å; L253-H257 WeakPolarHBondContact O-CB 3.22Å; L253-H257 PolarHBondContact O-N 2.82Å; L253-H257 PolarHBondContact O-ND1 3.37Å; K254-H257 CarbonylContact O-C 3.57Å
258P92.1Very high96.6Very high36 Ų3659.8 Ų59.823%0.23430%0.297CS..  trans-58.4145.3-176.823.4-34000111E256 E260 Q261E256-P258 VanDerWaalsContact O-CD 3.25Å; E256-P258 WeakPolarHBondContact O-CD 3.48Å; P258-E260 WeakPolarHBondContact CB-OE2 3.14Å; P258-E260 PolarHBondContact O-N 2.9Å; P258-Q261 HydrophobicContact CG-CG 4.04Å; P258-Q261 WeakPolarHBondContact O-CB 3.11Å; P258-Q261 PolarHBondContact O-N 2.88Å
259P96.1Very high96.7Very high4 Ų450.7 Ų50.73%0.02626%0.263CS..Hα-helixtrans-44.3-34.4176.6-33.736.8000114.8W225 F228 Q261 L262 C263 V274W225-P259 HydrophobicContact CE3-CG 4.41Å; W225-P259 HydrophobicContact CH2-CB 4.29Å; W225-P259 HydrophobicContact CH2-CG 3.92Å; W225-P259 HydrophobicContact CZ3-CB 3.8Å; W225-P259 HydrophobicContact CZ3-CG 3.48Å; W225-P259 VanDerWaalsContact CZ3-CG 3.48Å; F228-P259 HydrophobicContact CD1-CB 4.38Å; F228-P259 HydrophobicContact CE1-CB 3.62Å; F228-P259 HydrophobicContact CE1-CG 4.41Å; F228-P259 HydrophobicContact CZ-CB 4.05Å; P259-Q261 VanDerWaalsContact C-N 3.27Å; P259-Q261 PolarHBondContact O-N 2.89Å; P259-L262 WeakPolarHBondContact O-CB 3.18Å; P259-L262 PolarHBondContact O-N 2.88Å; P259-C263 PolarHBondContact O-N 2.87Å; P259-C263 VanDerWaalsContact O-N 3.16Å; P259-C263 PolarHBondContact O-SG 2.85Å; P259-C263 VanDerWaalsContact O-SG 3.39Å; P259-V274 HydrophobicContact CB-CG1 3.76Å; P259-V274 HydrophobicContact CB-CG2 3.96Å
260E96.2Very high96.7Very high54 Ų5448.9 Ų48.925%0.25225%0.248SC..Hα-helixtrans-61.2-29.5178.5-66.678.8-175.200113.7P258 C263 R271 V274 R278P258-E260 WeakPolarHBondContact CB-OE2 3.14Å; P258-E260 PolarHBondContact O-N 2.9Å; E260-C263 WeakPolarHBondContact O-CB 3.43Å; E260-R271 PolarHBondContact O-NH1 3.37Å; E260-R271 PolarHBondContact O-NH2 2.8Å; E260-R271 VanDerWaalsContact O-NH2 3.13Å; E260-V274 HydrophobicContact CG-CG1 4.11Å; E260-V274 WeakPolarHBondContact OE1-CG1 3.38Å; E260-R278 IonicContact OE1-CZ 3.6Å; E260-R278 IonicContact OE1-NE 2.72Å; E260-R278 PolarHBondContact OE1-NE 2.77Å; E260-R278 IonicContact OE1-NH2 3.29Å; E260-R278 PolarHBondContact OE1-NH2 2.66Å; E260-R278 IonicContact OE2-CZ 2.84Å; E260-R278 IonicContact OE2-NE 3.74Å; E260-R278 IonicContact OE2-NH2 2.77Å; E260-R278 PolarHBondContact OE2-NH2 2.71Å
261Q96.3Very high96.7Very high102 Ų10252.5 Ų52.548%0.47726%0.262SS..Hα-helixtrans-76.9-34.2172.5-72.3178.310.700111.7P258 P259 C263 D264P258-Q261 HydrophobicContact CG-CG 4.04Å; P258-Q261 WeakPolarHBondContact O-CB 3.11Å; P258-Q261 PolarHBondContact O-N 2.88Å; P259-Q261 VanDerWaalsContact C-N 3.27Å; P259-Q261 PolarHBondContact O-N 2.89Å; Q261-C263 PolarHBondContact O-N 3.24Å; Q261-D264 WeakPolarHBondContact O-CB 3.24Å; Q261-D264 PolarHBondContact O-N 2.47Å; Q261-D264 VanDerWaalsContact O-N 3.17Å
262L96.8Very high96.7Very high24 Ų2453.1 Ų53.113%0.12627%0.265CS..Hα-helixtrans-62.8-33.7174.6-64.5178000110.9F228 Y229 L239 P240 W241 P259 D264 A265 L266F228-L262 HydrophobicContact CE1-CB 4.4Å; F228-L262 HydrophobicContact CE1-CD1 4Å; F228-L262 HydrophobicContact CZ-CB 4.05Å; F228-L262 HydrophobicContact CZ-CD1 4.47Å; Y229-L262 HydrophobicContact CD1-CD1 4.09Å; Y229-L262 HydrophobicContact CE1-CD1 4.1Å; L239-L262 HydrophobicContact CD2-CD1 4.21Å; P240-L262 HydrophobicContact CG-CD2 3.83Å; W241-L262 HydrophobicContact CH2-CD1 4Å; P259-L262 WeakPolarHBondContact O-CB 3.18Å; P259-L262 PolarHBondContact O-N 2.88Å; L262-D264 PolarHBondContact O-N 2.9Å; L262-A265 PolarHBondContact O-N 3.02Å; L262-L266 WeakPolarHBondContact O-CG 3.38Å
263C97.4Very high96.7Very high5 Ų547.5 Ų47.53%0.03424%0.241CC..G310 helixtrans-60-21.9176-64.90000114.2P259 E260 Q261 A265 L266 R271P259-C263 PolarHBondContact O-N 2.87Å; P259-C263 VanDerWaalsContact O-N 3.16Å; P259-C263 PolarHBondContact O-SG 2.85Å; P259-C263 VanDerWaalsContact O-SG 3.39Å; E260-C263 WeakPolarHBondContact O-CB 3.43Å; Q261-C263 PolarHBondContact O-N 3.24Å; C263-A265 PolarHBondContact O-N 2.86Å; C263-L266 PolarHBondContact O-N 3.04Å; C263-R271 HydrophobicContact CB-CB 4.3Å
264D96.7Very high96.7Very high121 Ų12145.8 Ų45.865%0.64723%0.232SC*.G310 helixtrans-65.1-21.5-178.9-62-21000112.5Q261 L262 R271Q261-D264 WeakPolarHBondContact O-CB 3.24Å; Q261-D264 PolarHBondContact O-N 2.47Å; Q261-D264 VanDerWaalsContact O-N 3.17Å; L262-D264 PolarHBondContact O-N 2.9Å; D264-R271 IonicContact OD1-CZ 3.85Å; D264-R271 IonicContact OD1-NH2 3.44Å; D264-R271 PolarHBondContact OD1-NH2 3.3Å
265A96.6Very high96.8Very high63 Ų6349.7 Ų49.752%0.52126%0.256SS..G310 helixtrans-100.55.9175.300000113.7T236 L262 C263T236-A265 HydrophobicContact CG2-CB 3.75Å; L262-A265 PolarHBondContact O-N 3.02Å; C263-A265 PolarHBondContact O-N 2.86Å
266L98Very high96.9Very high18 Ų1846.1 Ų46.19%0.09424%0.239CC..SBendtrans-117.2161.4-175.9-50-179.7000110.7F228 A232 I235 T236 L262 C263 H268 Y270F228-L266 HydrophobicContact CE2-CD1 4Å; F228-L266 HydrophobicContact CZ-CD1 4.44Å; A232-L266 HydrophobicContact CB-CD1 4.11Å; A232-L266 HydrophobicContact CB-CD2 4.44Å; I235-L266 HydrophobicContact CB-CD2 3.69Å; I235-L266 HydrophobicContact CD1-CD2 3.82Å; I235-L266 HydrophobicContact CG1-CD2 4.34Å; I235-L266 HydrophobicContact CG2-CD2 3.69Å; T236-L266 HydrophobicContact CG2-CD2 4.01Å; L262-L266 WeakPolarHBondContact O-CG 3.38Å; C263-L266 PolarHBondContact O-N 3.04Å; L266-H268 PolarHBondContact O-N 3.38Å; L266-Y270 HydrophobicContact CB-CD2 3.89Å; L266-Y270 HydrophobicContact CB-CG 4.11Å; L266-Y270 HydrophobicContact CD1-CD1 4.39Å; L266-Y270 HydrophobicContact CD1-CG 4.01Å
267P98.1Very high97Very high14 Ų1441.4 Ų41.49%0.09122%0.217CC..  trans-50.5140.9164.7-26.834.5000111.8I130 I134 E269 Y270 L302I130-P267 HydrophobicContact CD1-CG 4.19Å; I130-P267 HydrophobicContact CG2-CG 3.79Å; I134-P267 HydrophobicContact CD1-CG 4.14Å; P267-E269 PolarHBondContact O-N 3.37Å; P267-Y270 HydrophobicContact CB-CD2 4.04Å; P267-Y270 HydrophobicContact CB-CE2 4.33Å; P267-Y270 HydrophobicContact CG-CD2 4.14Å; P267-Y270 HydrophobicContact CG-CE2 4.05Å; P267-Y270 WeakPolarHBondContact O-CB 3.41Å; P267-Y270 PolarHBondContact O-N 3.4Å; P267-L302 HydrophobicContact CB-CD1 4.46Å; P267-L302 HydrophobicContact CG-CD1 4.42Å
268H96.7Very high97.2Very high121 Ų12144.6 Ų44.656%0.5623%0.227SC*.THydrogen-bonded Turntrans-51.4-33.7-172.517973.6000113.6L266 Y270 R271L266-H268 PolarHBondContact O-N 3.38Å; H268-Y270 PolarHBondContact O-N 3.33Å; H268-R271 WeakPolarHBondContact O-CB 3.41Å; H268-R271 PolarHBondContact O-N 2.89Å
269E97.8Very high97.5Very high4 Ų447.3 Ų47.32%0.01924%0.243CC..Hα-helixtrans-67-21.4-177.4-61.179-172.800112.9P267 R271 M272 F273 S294 M295 I297 A298 R301P267-E269 PolarHBondContact O-N 3.37Å; E269-R271 PolarHBondContact O-N 3.35Å; E269-M272 HydrophobicContact CB-SD 4.33Å; E269-M272 HydrophobicContact CG-SD 4.22Å; E269-M272 VanDerWaalsContact O-CB 3.28Å; E269-M272 WeakPolarHBondContact O-CB 3.44Å; E269-M272 PolarHBondContact O-N 2.83Å; E269-F273 PolarHBondContact O-N 2.89Å; E269-F273 VanDerWaalsContact O-N 3.13Å; E269-S294 VanDerWaalsContact CB-O 3.29Å; E269-S294 WeakPolarHBondContact CB-O 3.25Å; E269-S294 WeakPolarHBondContact CG-O 3.4Å; E269-M295 HydrophobicContact CB-CE 4.2Å; E269-I297 HydrophobicContact CG-CB 4.37Å; E269-I297 HydrophobicContact CG-CG2 4.05Å; E269-A298 HydrophobicContact CB-CB 3.97Å; E269-A298 HydrophobicContact CG-CB 3.76Å; E269-A298 WeakPolarHBondContact OE2-CB 3.36Å; E269-R301 IonicContact OE1-CZ 2.72Å; E269-R301 IonicContact OE1-NE 3.97Å; E269-R301 PolarHBondContact OE1-NE 3.1Å; E269-R301 IonicContact OE1-NH2 3.3Å; E269-R301 PolarHBondContact OE1-NH2 3.43Å; E269-R301 IonicContact OE2-CZ 3.98Å; E269-R301 IonicContact OE2-NE 3.19Å; E269-R301 IonicContact OE2-NH2 2.81Å; E269-R301 PolarHBondContact OE2-NH2 3.17Å
270Y98.1Very high97.6Very high0 Ų047.7 Ų47.70%025%0.245CC..Hα-helixtrans-65.7-22.5168.8-76.6-82000112.5I134 T137 C231 I235 L266 P267 H268 F273 V274 M295I134-Y270 HydrophobicContact CG1-CE2 4.35Å; T137-Y270 HydrophobicContact CG2-CE1 4.31Å; T137-Y270 PolarHBondContact OG1-OH 3.08Å; C231-Y270 HydrophobicContact CB-CD1 4.22Å; C231-Y270 HydrophobicContact CB-CE1 3.44Å; C231-Y270 VanDerWaalsContact CB-CE1 3.44Å; I235-Y270 HydrophobicContact CD1-CD2 4.28Å; I235-Y270 HydrophobicContact CD1-CE2 3.55Å; L266-Y270 HydrophobicContact CB-CD2 3.89Å; L266-Y270 HydrophobicContact CB-CG 4.11Å; L266-Y270 HydrophobicContact CD1-CD1 4.39Å; L266-Y270 HydrophobicContact CD1-CG 4.01Å; P267-Y270 HydrophobicContact CB-CD2 4.04Å; P267-Y270 HydrophobicContact CB-CE2 4.33Å; P267-Y270 HydrophobicContact CG-CD2 4.14Å; P267-Y270 HydrophobicContact CG-CE2 4.05Å; P267-Y270 WeakPolarHBondContact O-CB 3.41Å; P267-Y270 PolarHBondContact O-N 3.4Å; H268-Y270 PolarHBondContact O-N 3.33Å; Y270-F273 VanDerWaalsContact O-CB 3.28Å; Y270-F273 WeakPolarHBondContact O-CB 3.5Å; Y270-F273 PolarHBondContact O-N 2.89Å; Y270-V274 PolarHBondContact O-N 2.79Å; Y270-V274 VanDerWaalsContact O-N 3.08Å; Y270-M295 HydrophobicContact CD1-CE 4.46Å; Y270-M295 HydrophobicContact CE1-CE 4.4Å; Y270-M295 HydrophobicContact CE1-SD 4.19Å; Y270-M295 HydrophobicContact CE2-SD 4.41Å
271R98.1Very high97.7Very high76 Ų7651.6 Ų51.629%0.28726%0.257SS..Hα-helixtrans-68.8-37.8170.1-168.9175.1-65-74.4-0.4111E260 C263 D264 H268 E269 F273 V274 T275E260-R271 PolarHBondContact O-NH1 3.37Å; E260-R271 PolarHBondContact O-NH2 2.8Å; E260-R271 VanDerWaalsContact O-NH2 3.13Å; C263-R271 HydrophobicContact CB-CB 4.3Å; D264-R271 IonicContact OD1-CZ 3.85Å; D264-R271 IonicContact OD1-NH2 3.44Å; D264-R271 PolarHBondContact OD1-NH2 3.3Å; H268-R271 WeakPolarHBondContact O-CB 3.41Å; H268-R271 PolarHBondContact O-N 2.89Å; E269-R271 PolarHBondContact O-N 3.35Å; R271-F273 VanDerWaalsContact C-N 3.28Å; R271-F273 PolarHBondContact O-N 3.14Å; R271-V274 PolarHBondContact O-N 2.6Å; R271-T275 WeakPolarHBondContact O-CB 3.37Å; R271-T275 PolarHBondContact O-N 2.84Å; R271-T275 PolarHBondContact O-OG1 3.26Å
272M97.8Very high97.8Very high54 Ų5448 Ų4827%0.26624%0.24SC..Hα-helixtrans-61-41.2172.8-58.417162.900110.7E269 T275 H276 F290E269-M272 HydrophobicContact CB-SD 4.33Å; E269-M272 HydrophobicContact CG-SD 4.22Å; E269-M272 VanDerWaalsContact O-CB 3.28Å; E269-M272 WeakPolarHBondContact O-CB 3.44Å; E269-M272 PolarHBondContact O-N 2.83Å; M272-T275 PolarHBondContact O-N 3.01Å; M272-H276 PolarHBondContact O-N 2.94Å; M272-F290 HydrophobicContact CB-CE1 4.23Å; M272-F290 HydrophobicContact CB-CZ 3.99Å; M272-F290 HydrophobicContact CE-CE2 3.88Å; M272-F290 HydrophobicContact CE-CZ 3.8Å
273F97.8Very high97.8Very high1 Ų150.6 Ų50.60%0.00425%0.251CS..Hα-helixtrans-55.2-53.9173.6-158.2-58.5000111.2T137 I141 L224 L227 E269 Y270 R271 H276 L277 L291 M295T137-F273 HydrophobicContact CG2-CE2 4.47Å; I141-F273 HydrophobicContact CD1-CE2 3.92Å; I141-F273 HydrophobicContact CG1-CE2 4.13Å; L224-F273 HydrophobicContact CB-CE1 4.35Å; L224-F273 HydrophobicContact CD2-CZ 4.38Å; L227-F273 HydrophobicContact CD2-CE2 4.44Å; L227-F273 HydrophobicContact CD2-CZ 4.07Å; E269-F273 PolarHBondContact O-N 2.89Å; E269-F273 VanDerWaalsContact O-N 3.13Å; Y270-F273 VanDerWaalsContact O-CB 3.28Å; Y270-F273 WeakPolarHBondContact O-CB 3.5Å; Y270-F273 PolarHBondContact O-N 2.89Å; R271-F273 VanDerWaalsContact C-N 3.28Å; R271-F273 PolarHBondContact O-N 3.14Å; F273-H276 PolarHBondContact O-N 3.35Å; F273-L277 HydrophobicContact CD1-CD1 3.92Å; F273-L277 HydrophobicContact CD1-CD2 4.29Å; F273-L277 HydrophobicContact CD1-CG 3.84Å; F273-L277 HydrophobicContact CE1-CD1 3.76Å; F273-L277 HydrophobicContact CE1-CD2 3.91Å; F273-L277 HydrophobicContact CE1-CG 3.87Å; F273-L277 WeakPolarHBondContact O-CG 3.16Å; F273-L277 PolarHBondContact O-N 3.05Å; F273-L291 HydrophobicContact CB-CD2 4.21Å; F273-L291 HydrophobicContact CD1-CD2 3.88Å; F273-L291 HydrophobicContact CD2-CB 4.48Å; F273-L291 HydrophobicContact CD2-CD2 3.77Å; F273-L291 HydrophobicContact CE1-CD1 4.11Å; F273-L291 HydrophobicContact CE1-CD2 4.1Å; F273-L291 HydrophobicContact CE2-CB 4.25Å; F273-L291 HydrophobicContact CE2-CD1 4.15Å; F273-L291 HydrophobicContact CE2-CD2 4.03Å; F273-L291 HydrophobicContact CE2-CG 4.38Å; F273-L291 HydrophobicContact CG-CD2 3.68Å; F273-L291 HydrophobicContact CZ-CD1 3.8Å; F273-L291 HydrophobicContact CZ-CD2 4.17Å; F273-L291 HydrophobicContact CZ-CG 4.46Å; F273-M295 HydrophobicContact CD2-CE 4.48Å
274V98.3Very high97.8Very high0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-60.7-46.5179.5169.60000111.7W225 F228 P259 E260 Y270 R271 H276 L277 R278W225-V274 HydrophobicContact CH2-CG1 4.28Å; F228-V274 HydrophobicContact CD1-CG2 4.34Å; F228-V274 HydrophobicContact CD2-CG2 3.63Å; F228-V274 HydrophobicContact CE1-CG2 4.02Å; F228-V274 HydrophobicContact CE2-CG2 3.24Å; F228-V274 HydrophobicContact CG-CG2 4.17Å; F228-V274 HydrophobicContact CZ-CG2 3.46Å; F228-V274 VanDerWaalsContact CZ-CG2 3.46Å; P259-V274 HydrophobicContact CB-CG1 3.76Å; P259-V274 HydrophobicContact CB-CG2 3.96Å; E260-V274 HydrophobicContact CG-CG1 4.11Å; E260-V274 WeakPolarHBondContact OE1-CG1 3.38Å; Y270-V274 PolarHBondContact O-N 2.79Å; Y270-V274 VanDerWaalsContact O-N 3.08Å; R271-V274 PolarHBondContact O-N 2.6Å; V274-H276 VanDerWaalsContact C-N 3.26Å; V274-H276 PolarHBondContact O-N 2.91Å; V274-L277 PolarHBondContact O-N 3.49Å; V274-L277 VanDerWaalsContact O-N 3.1Å; V274-R278 HydrophobicContact CG1-CG 4.42Å; V274-R278 WeakPolarHBondContact O-CG 3.26Å; V274-R278 PolarHBondContact O-N 2.61Å
275T98.2Very high97.9Very high84 Ų8452 Ų5252%0.51525%0.25SC..Hα-helixtrans-56.1-42.9177.8-62.30000111.2R271 M272 R278R271-T275 WeakPolarHBondContact O-CB 3.37Å; R271-T275 PolarHBondContact O-N 2.84Å; R271-T275 PolarHBondContact O-OG1 3.26Å; M272-T275 PolarHBondContact O-N 3.01Å; T275-R278 PolarHBondContact O-N 3.1Å
276H98.5Very high98Very high25 Ų2549.1 Ų49.112%0.11623%0.226CC..Hα-helixtrans-64-46.2175178.163.7000112.1M272 F273 V274 R278 T279 N287 F290 L291M272-H276 PolarHBondContact O-N 2.94Å; F273-H276 PolarHBondContact O-N 3.35Å; V274-H276 VanDerWaalsContact C-N 3.26Å; V274-H276 PolarHBondContact O-N 2.91Å; H276-R278 PolarHBondContact O-N 3.38Å; H276-T279 PolarHBondContact O-N 3.06Å; H276-T279 VanDerWaalsContact O-N 3.07Å; H276-T279 PolarHBondContact O-OG1 3.49Å; H276-N287 PolarHBondContact CE1-N 3.12Å; H276-N287 PolarHBondContact NE2-N 3.28Å; H276-N287 VanDerWaalsContact NE2-N 3.14Å; H276-F290 HydrophobicContact CB-CD1 3.91Å; H276-F290 HydrophobicContact CB-CE1 3.71Å; H276-L291 HydrophobicContact CB-CD2 4.22Å
277L98.5Very high98.1Very high2 Ų252.4 Ų52.41%0.0124%0.243CC..Hα-helixtrans-61.4-31179.8-63.7-168.4000113.8L224 W225 F228 F273 V274 T279 L280L224-L277 HydrophobicContact CB-CD1 4.33Å; L224-L277 HydrophobicContact CB-CD2 3.6Å; L224-L277 HydrophobicContact CD1-CD2 4Å; L224-L277 HydrophobicContact CG-CD2 4.48Å; W225-L277 HydrophobicContact CB-CD1 4.44Å; W225-L277 HydrophobicContact CD2-CB 4.16Å; W225-L277 HydrophobicContact CD2-CD1 3.53Å; W225-L277 HydrophobicContact CE3-CD1 3.6Å; W225-L277 HydrophobicContact CG-CD1 3.92Å; W225-L277 HydrophobicContact CH2-CB 3.91Å; W225-L277 HydrophobicContact CH2-CD1 4.35Å; W225-L277 HydrophobicContact CZ2-CB 3.49Å; W225-L277 VanDerWaalsContact CZ2-CB 3.49Å; W225-L277 HydrophobicContact CZ2-CD1 4.3Å; W225-L277 HydrophobicContact CZ3-CB 4.39Å; W225-L277 HydrophobicContact CZ3-CD1 4Å; F228-L277 HydrophobicContact CB-CD1 4.38Å; F273-L277 HydrophobicContact CD1-CD1 3.92Å; F273-L277 HydrophobicContact CD1-CD2 4.29Å; F273-L277 HydrophobicContact CD1-CG 3.84Å; F273-L277 HydrophobicContact CE1-CD1 3.76Å; F273-L277 HydrophobicContact CE1-CD2 3.91Å; F273-L277 HydrophobicContact CE1-CG 3.87Å; F273-L277 WeakPolarHBondContact O-CG 3.16Å; F273-L277 PolarHBondContact O-N 3.05Å; V274-L277 PolarHBondContact O-N 3.49Å; V274-L277 VanDerWaalsContact O-N 3.1Å; L277-T279 PolarHBondContact O-N 3.44Å; L277-L280 HydrophobicContact CD2-CD1 3.93Å; L277-L280 PolarHBondContact O-N 3.01Å
278R97.7Very high98.1Very high129 Ų12952 Ų5249%0.48724%0.24SC..Hα-helixtrans-65.4-23.4176.8-71.4-72.2-166.4-1783.3113.3W225 E260 V274 T275 H276W225-R278 HydrophobicContact CH2-CG 4.32Å; W225-R278 HydrophobicContact CZ2-CG 4.4Å; E260-R278 IonicContact OE1-CZ 3.6Å; E260-R278 IonicContact OE1-NE 2.72Å; E260-R278 PolarHBondContact OE1-NE 2.77Å; E260-R278 IonicContact OE1-NH2 3.29Å; E260-R278 PolarHBondContact OE1-NH2 2.66Å; E260-R278 IonicContact OE2-CZ 2.84Å; E260-R278 IonicContact OE2-NE 3.74Å; E260-R278 IonicContact OE2-NH2 2.77Å; E260-R278 PolarHBondContact OE2-NH2 2.71Å; V274-R278 HydrophobicContact CG1-CG 4.42Å; V274-R278 WeakPolarHBondContact O-CG 3.26Å; V274-R278 PolarHBondContact O-N 2.61Å; T275-R278 PolarHBondContact O-N 3.1Å; H276-R278 PolarHBondContact O-N 3.38Å
279T98.2Very high98.2Very high92 Ų9247.7 Ų47.756%0.56423%0.229SC*.Hα-helixtrans-84.5-14.8-18072.50000113.2H276 L277H276-T279 PolarHBondContact O-N 3.06Å; H276-T279 VanDerWaalsContact O-N 3.07Å; H276-T279 PolarHBondContact O-OG1 3.49Å; L277-T279 PolarHBondContact O-N 3.44Å
280L98.5Very high98.2Very high13 Ų1350.9 Ų50.97%0.06824%0.243CC..  trans-83.4129.1-170.8-60.8176.1000112.6R221 L277 D284 P286R221-L280 HydrophobicContact CB-CB 3.92Å; R221-L280 HydrophobicContact CB-CD1 3.93Å; R221-L280 VanDerWaalsContact CD-O 3.3Å; R221-L280 WeakPolarHBondContact CD-O 3.46Å; R221-L280 PolarHBondContact NH1-O 3.32Å; L277-L280 HydrophobicContact CD2-CD1 3.93Å; L277-L280 PolarHBondContact O-N 3.01Å; L280-D284 HydrophobicContact CD2-CB 3.99Å; L280-P286 HydrophobicContact CD1-CB 3.95Å; L280-P286 HydrophobicContact CD1-CG 3.98Å
281R97.9Very high98.2Very high135 Ų13550.9 Ų50.951%0.50924%0.243SC..  trans-93.5178.1169-57.5171.9-64.5145.111.7111.1E283 D284R281-E283 VanDerWaalsContact C-N 3.32Å; R281-E283 WeakPolarHBondContact CB-OE2 3.46Å; R281-E283 IonicContact CZ-OE1 2.77Å; R281-E283 IonicContact NE-OE1 2.61Å; R281-E283 IonicContact NH1-OE1 2.66Å; R281-E283 PolarHBondContact NH1-OE1 3.32Å; R281-E283 IonicContact NH2-OE1 3.14Å; R281-E283 PolarHBondContact NH2-OE1 2.88Å; R281-E283 PolarHBondContact O-N 3.34Å; R281-D284 VanDerWaalsContact CB-OD2 3.26Å; R281-D284 WeakPolarHBondContact CB-OD2 3.34Å; R281-D284 IonicContact CZ-OD1 3.33Å; R281-D284 IonicContact CZ-OD2 2.99Å; R281-D284 PolarHBondContact N-OD2 3.26Å; R281-D284 IonicContact NE-OD1 3.58Å; R281-D284 IonicContact NE-OD2 3.67Å; R281-D284 PolarHBondContact NE-OD2 2.86Å; R281-D284 IonicContact NH2-OD1 3.83Å; R281-D284 PolarHBondContact NH2-OD1 3.04Å; R281-D284 IonicContact NH2-OD2 2.77Å; R281-D284 PolarHBondContact O-N 2.91Å
282F97.7Very high98.3Very high26 Ų2648.6 Ų48.611%0.11424%0.236CC..SBendtrans-57.5-46.2-177.2178.5-93.5000111.7E195 D217 S219E195-F282 HydrophobicContact CB-CD1 3.86Å; E195-F282 HydrophobicContact CB-CD2 4.38Å; E195-F282 HydrophobicContact CB-CE1 3.72Å; E195-F282 HydrophobicContact CB-CE2 4.28Å; E195-F282 HydrophobicContact CB-CG 4.19Å; E195-F282 HydrophobicContact CB-CZ 3.94Å; E195-F282 HydrophobicContact CG-CD1 4.28Å; E195-F282 HydrophobicContact CG-CD2 3.91Å; E195-F282 HydrophobicContact CG-CE1 4.26Å; E195-F282 HydrophobicContact CG-CE2 3.91Å; E195-F282 HydrophobicContact CG-CG 4.11Å; E195-F282 HydrophobicContact CG-CZ 4.08Å; D217-F282 HydrophobicContact CB-CE2 3.75Å; D217-F282 HydrophobicContact CB-CZ 4.25Å; S219-F282 WeakPolarHBondContact CB-O 3.36Å; S219-F282 PolarHBondContact OG-O 3.11Å
283E97.6Very high98.3Very high79 Ų7950.6 Ų50.637%0.36925%0.248SC..SBendtrans-77.8-18.2-175.666-89.5-14900114.3L192 R220 R281L192-E283 HydrophobicContact CD1-CB 3.76Å; L192-E283 VanDerWaalsContact CD1-O 3.24Å; L192-E283 WeakPolarHBondContact CD1-O 3.31Å; R220-E283 PolarHBondContact NH2-O 2.88Å; R281-E283 VanDerWaalsContact C-N 3.32Å; R281-E283 WeakPolarHBondContact CB-OE2 3.46Å; R281-E283 IonicContact CZ-OE1 2.77Å; R281-E283 IonicContact NE-OE1 2.61Å; R281-E283 IonicContact NH1-OE1 2.66Å; R281-E283 PolarHBondContact NH1-OE1 3.32Å; R281-E283 IonicContact NH2-OE1 3.14Å; R281-E283 PolarHBondContact NH2-OE1 2.88Å; R281-E283 PolarHBondContact O-N 3.34Å
284D98.2Very high98.3Very high38 Ų3850.6 Ų50.620%0.20325%0.248CC..PPolyproline II helixtrans-68.9146.3-168.2-67.9-29.7000111.9R220 L280 R281R220-D284 PolarHBondContact NE-O 2.9Å; R220-D284 PolarHBondContact NH2-O 2.96Å; L280-D284 HydrophobicContact CD2-CB 3.99Å; R281-D284 VanDerWaalsContact CB-OD2 3.26Å; R281-D284 WeakPolarHBondContact CB-OD2 3.34Å; R281-D284 IonicContact CZ-OD1 3.33Å; R281-D284 IonicContact CZ-OD2 2.99Å; R281-D284 PolarHBondContact N-OD2 3.26Å; R281-D284 IonicContact NE-OD1 3.58Å; R281-D284 IonicContact NE-OD2 3.67Å; R281-D284 PolarHBondContact NE-OD2 2.86Å; R281-D284 IonicContact NH2-OD1 3.83Å; R281-D284 PolarHBondContact NH2-OD1 3.04Å; R281-D284 IonicContact NH2-OD2 2.77Å; R281-D284 PolarHBondContact O-N 2.91Å
285R98.3Very high98.3Very high118 Ų11850.6 Ų50.645%0.44525%0.248SC..PPolyproline II helixtrans-87.9120.1166.8-179.8178.7175.676.41.1107.6D149 N287 Y288D149-R285 IonicContact OD1-CZ 2.96Å; D149-R285 IonicContact OD1-NH1 3.91Å; D149-R285 PolarHBondContact OD1-NH1 3.07Å; D149-R285 IonicContact OD1-NH2 3.78Å; D149-R285 PolarHBondContact OD1-NH2 3.5Å; D149-R285 IonicContact OD2-NH2 2.73Å; D149-R285 PolarHBondContact OD2-NH2 2.93Å; R285-N287 PolarHBondContact O-N 3.15Å; R285-Y288 HydrophobicContact CG-CE2 4.28Å
286P98.7Very high98.3Very high2 Ų250.5 Ų50.51%0.01324%0.241CC..PPolyproline II helixtrans-57.4139.8172.5-21.430.5000111.6R220 L224 L280 Y288R220-P286 HydrophobicContact CB-CG 3.97Å; L224-P286 HydrophobicContact CD1-CB 3.37Å; L224-P286 HydrophobicContact CD1-CG 3.5Å; L280-P286 HydrophobicContact CD1-CB 3.95Å; L280-P286 HydrophobicContact CD1-CG 3.98Å; P286-Y288 VanDerWaalsContact C-N 3.32Å; P286-Y288 HydrophobicContact CB-CD1 4.42Å; P286-Y288 HydrophobicContact CB-CD2 4.48Å; P286-Y288 HydrophobicContact CB-CE1 4Å; P286-Y288 HydrophobicContact CB-CE2 4.07Å; P286-Y288 WeakPolarHBondContact CD-OH 3.32Å; P286-Y288 HydrophobicContact CG-CE1 4.21Å; P286-Y288 HydrophobicContact CG-CE2 4.33Å; P286-Y288 WeakPolarHBondContact CG-OH 3.41Å; P286-Y288 WeakPolarHBondContact O-CD2 3.21Å; P286-Y288 WeakPolarHBondContact O-CE2 3.41Å; P286-Y288 PolarHBondContact O-N 2.73Å
287N98.6Very high98.3Very high88 Ų8853.4 Ų53.447%0.47126%0.257SS..  trans-76.483.5167.8-172.1-13.9000109.9H276 R285 G289 F290 L291H276-N287 PolarHBondContact CE1-N 3.12Å; H276-N287 PolarHBondContact NE2-N 3.28Å; H276-N287 VanDerWaalsContact NE2-N 3.14Å; R285-N287 PolarHBondContact O-N 3.15Å; N287-G289 VanDerWaalsContact C-N 3.27Å; N287-G289 PolarHBondContact O-N 2.91Å; N287-G289 PolarHBondContact OD1-N 2.92Å; N287-F290 HydrophobicContact CB-CB 4.04Å; N287-F290 VanDerWaalsContact CG-CB 3.47Å; N287-F290 PolarHBondContact O-N 2.79Å; N287-F290 PolarHBondContact OD1-N 3.4Å; N287-L291 PolarHBondContact O-N 3.28Å
288Y98.8Very high98.3Very high4 Ų453.3 Ų53.32%0.01626%0.257CS..Hα-helixtrans-63.2-33.6179.3-55.2-85.7000112.7I141 Q145 H148 L224 R285 P286 F290 L291 L292I141-Y288 HydrophobicContact CG2-CD1 4.18Å; Q145-Y288 HydrophobicContact CB-CD1 3.63Å; Q145-Y288 HydrophobicContact CB-CD2 4.13Å; Q145-Y288 HydrophobicContact CB-CE1 3.95Å; Q145-Y288 HydrophobicContact CB-CE2 4.41Å; Q145-Y288 HydrophobicContact CB-CG 3.74Å; Q145-Y288 HydrophobicContact CG-CD1 4.08Å; Q145-Y288 HydrophobicContact CG-CD2 3.62Å; Q145-Y288 HydrophobicContact CG-CE1 4.42Å; Q145-Y288 HydrophobicContact CG-CE2 4Å; Q145-Y288 HydrophobicContact CG-CG 3.68Å; H148-Y288 AromaticContact ND1-CZ 3.7Å; H148-Y288 PolarHBondContact ND1-OH 3.39Å; L224-Y288 HydrophobicContact CD1-CE1 4.03Å; L224-Y288 HydrophobicContact CD2-CE1 4.3Å; R285-Y288 HydrophobicContact CG-CE2 4.28Å; P286-Y288 VanDerWaalsContact C-N 3.32Å; P286-Y288 HydrophobicContact CB-CD1 4.42Å; P286-Y288 HydrophobicContact CB-CD2 4.48Å; P286-Y288 HydrophobicContact CB-CE1 4Å; P286-Y288 HydrophobicContact CB-CE2 4.07Å; P286-Y288 WeakPolarHBondContact CD-OH 3.32Å; P286-Y288 HydrophobicContact CG-CE1 4.21Å; P286-Y288 HydrophobicContact CG-CE2 4.33Å; P286-Y288 WeakPolarHBondContact CG-OH 3.41Å; P286-Y288 WeakPolarHBondContact O-CD2 3.21Å; P286-Y288 WeakPolarHBondContact O-CE2 3.41Å; P286-Y288 PolarHBondContact O-N 2.73Å; Y288-F290 PolarHBondContact O-N 2.96Å; Y288-L291 WeakPolarHBondContact O-CB 3.37Å; Y288-L291 PolarHBondContact O-N 3.18Å; Y288-L291 VanDerWaalsContact O-N 3.13Å; Y288-L292 WeakPolarHBondContact O-CG 3.45Å; Y288-L292 PolarHBondContact O-N 2.86Å
289G98.6Very high98.3Very high32 Ų3247.8 Ų47.833%0.3324%0.236SC..Hα-helixtrans-57.2-48.9175.300000111.3N287 L291 L292 D293N287-G289 VanDerWaalsContact C-N 3.27Å; N287-G289 PolarHBondContact O-N 2.91Å; N287-G289 PolarHBondContact OD1-N 2.92Å; G289-L291 VanDerWaalsContact C-N 3.3Å; G289-L291 PolarHBondContact O-N 3.39Å; G289-L292 PolarHBondContact O-N 3.01Å; G289-D293 WeakPolarHBondContact O-CB 3.36Å; G289-D293 PolarHBondContact O-N 3.49Å
290F98.6Very high98.3Very high71 Ų7148 Ų4831%0.31124%0.242SC..Hα-helixtrans-57.5-40.9174.3174.6-95.8000113M272 H276 N287 Y288 S294M272-F290 HydrophobicContact CB-CE1 4.23Å; M272-F290 HydrophobicContact CB-CZ 3.99Å; M272-F290 HydrophobicContact CE-CE2 3.88Å; M272-F290 HydrophobicContact CE-CZ 3.8Å; H276-F290 HydrophobicContact CB-CD1 3.91Å; H276-F290 HydrophobicContact CB-CE1 3.71Å; N287-F290 HydrophobicContact CB-CB 4.04Å; N287-F290 VanDerWaalsContact CG-CB 3.47Å; N287-F290 PolarHBondContact O-N 2.79Å; N287-F290 PolarHBondContact OD1-N 3.4Å; Y288-F290 PolarHBondContact O-N 2.96Å; F290-S294 WeakPolarHBondContact O-CB 3.4Å; F290-S294 PolarHBondContact O-N 3.36Å
291L98.7Very high98.2Very high0 Ų053.6 Ų53.60%026%0.262CS..Hα-helixtrans-66.2-43.5177.4-62.2178.4000111.7I141 L224 F273 H276 N287 Y288 G289 S294 M295I141-L291 HydrophobicContact CD1-CB 3.99Å; I141-L291 HydrophobicContact CG2-CB 4.38Å; L224-L291 HydrophobicContact CD1-CD1 3.86Å; L224-L291 HydrophobicContact CD2-CD1 4.3Å; F273-L291 HydrophobicContact CB-CD2 4.21Å; F273-L291 HydrophobicContact CD1-CD2 3.88Å; F273-L291 HydrophobicContact CD2-CB 4.48Å; F273-L291 HydrophobicContact CD2-CD2 3.77Å; F273-L291 HydrophobicContact CE1-CD1 4.11Å; F273-L291 HydrophobicContact CE1-CD2 4.1Å; F273-L291 HydrophobicContact CE2-CB 4.25Å; F273-L291 HydrophobicContact CE2-CD1 4.15Å; F273-L291 HydrophobicContact CE2-CD2 4.03Å; F273-L291 HydrophobicContact CE2-CG 4.38Å; F273-L291 HydrophobicContact CG-CD2 3.68Å; F273-L291 HydrophobicContact CZ-CD1 3.8Å; F273-L291 HydrophobicContact CZ-CD2 4.17Å; F273-L291 HydrophobicContact CZ-CG 4.46Å; H276-L291 HydrophobicContact CB-CD2 4.22Å; N287-L291 PolarHBondContact O-N 3.28Å; Y288-L291 WeakPolarHBondContact O-CB 3.37Å; Y288-L291 PolarHBondContact O-N 3.18Å; Y288-L291 VanDerWaalsContact O-N 3.13Å; G289-L291 VanDerWaalsContact C-N 3.3Å; G289-L291 PolarHBondContact O-N 3.39Å; L291-S294 PolarHBondContact O-N 2.75Å; L291-S294 PolarHBondContact O-OG 3.37Å; L291-M295 PolarHBondContact O-N 3.39Å
292L98.6Very high98.2Very high28 Ų2850.2 Ų50.215%0.14725%0.254CS..Hα-helixtrans-63.4-46.7175.8-69.3166.8000111.3V138 I141 Y288 G289 S294 M295 H296V138-L292 HydrophobicContact CG1-CD2 3.97Å; I141-L292 HydrophobicContact CB-CD2 3.86Å; I141-L292 HydrophobicContact CB-CG 4.4Å; I141-L292 HydrophobicContact CD1-CD2 4.21Å; I141-L292 HydrophobicContact CG2-CD1 4.46Å; I141-L292 HydrophobicContact CG2-CD2 3.83Å; I141-L292 HydrophobicContact CG2-CG 3.82Å; Y288-L292 WeakPolarHBondContact O-CG 3.45Å; Y288-L292 PolarHBondContact O-N 2.86Å; G289-L292 PolarHBondContact O-N 3.01Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 2.86Å; L292-M295 WeakPolarHBondContact O-CB 3.47Å; L292-M295 PolarHBondContact O-N 3.36Å; L292-H296 PolarHBondContact O-CD2 2.99Å; L292-H296 PolarHBondContact O-N 2.94Å
293D98.3Very high98.2Very high96 Ų9656.1 Ų56.151%0.51329%0.287SS..Hα-helixtrans-58.7-41177.4-68.9-21.1000111.2G289 M295 H296 I297G289-D293 WeakPolarHBondContact O-CB 3.36Å; G289-D293 PolarHBondContact O-N 3.49Å; D293-M295 VanDerWaalsContact C-N 3.29Å; D293-M295 PolarHBondContact O-N 2.97Å; D293-H296 PolarHBondContact O-N 3.24Å; D293-H296 VanDerWaalsContact O-N 3.15Å; D293-I297 VanDerWaalsContact O-CG1 3.31Å; D293-I297 WeakPolarHBondContact O-CG1 3.39Å; D293-I297 PolarHBondContact O-N 2.91Å
294S98Very high98.2Very high1 Ų154 Ų541%0.00728%0.278CS..Hα-helixtrans-60.9-37.9175.577.70000112.4E269 F290 L291 L292 I297 A298E269-S294 VanDerWaalsContact CB-O 3.29Å; E269-S294 WeakPolarHBondContact CB-O 3.25Å; E269-S294 WeakPolarHBondContact CG-O 3.4Å; F290-S294 WeakPolarHBondContact O-CB 3.4Å; F290-S294 PolarHBondContact O-N 3.36Å; L291-S294 PolarHBondContact O-N 2.75Å; L291-S294 PolarHBondContact O-OG 3.37Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 2.86Å; S294-I297 PolarHBondContact O-N 3.2Å; S294-A298 PolarHBondContact O-N 2.88Å; S294-A298 VanDerWaalsContact O-N 3.09Å
295M98.4Very high98.1Very high0 Ų054 Ų540%028%0.283CS..Hα-helixtrans-70.1-37.1175.2-62.8-59.296.500111.7I134 T137 V138 I141 E269 Y270 F273 L291 L292 D293 A298 M299I134-M295 HydrophobicContact CG2-CB 4.05Å; I134-M295 HydrophobicContact CG2-SD 4.35Å; T137-M295 HydrophobicContact CG2-CG 3.99Å; T137-M295 HydrophobicContact CG2-SD 3.66Å; V138-M295 HydrophobicContact CG2-CB 3.55Å; V138-M295 HydrophobicContact CG2-CG 4.2Å; I141-M295 HydrophobicContact CD1-CG 4.04Å; E269-M295 HydrophobicContact CB-CE 4.2Å; Y270-M295 HydrophobicContact CD1-CE 4.46Å; Y270-M295 HydrophobicContact CE1-CE 4.4Å; Y270-M295 HydrophobicContact CE1-SD 4.19Å; Y270-M295 HydrophobicContact CE2-SD 4.41Å; F273-M295 HydrophobicContact CD2-CE 4.48Å; L291-M295 PolarHBondContact O-N 3.39Å; L292-M295 WeakPolarHBondContact O-CB 3.47Å; L292-M295 PolarHBondContact O-N 3.36Å; D293-M295 VanDerWaalsContact C-N 3.29Å; D293-M295 PolarHBondContact O-N 2.97Å; M295-A298 WeakPolarHBondContact O-CB 3.43Å; M295-A298 PolarHBondContact O-N 3.05Å; M295-M299 WeakPolarHBondContact O-CG 3.35Å; M295-M299 PolarHBondContact O-N 3.48Å
296H98Very high97.9Very high81 Ų8153.6 Ų53.638%0.37529%0.288SS..Hα-helixtrans-68.3-34.8175.2-70-51.7000113.4L292 D293 M299 S300L292-H296 PolarHBondContact O-CD2 2.99Å; L292-H296 PolarHBondContact O-N 2.94Å; D293-H296 PolarHBondContact O-N 3.24Å; D293-H296 VanDerWaalsContact O-N 3.15Å; H296-M299 PolarHBondContact O-N 3.32Å; H296-S300 PolarHBondContact O-N 3.42Å; H296-S300 PolarHBondContact O-OG 2.83Å
297I98Very high97.7Very high87 Ų8760 Ų6045%0.44632%0.322SS..Hα-helixtrans-61.8-46.1170.1-70.1165.7000109.8E269 D293 S294 M299 S300 R301E269-I297 HydrophobicContact CG-CB 4.37Å; E269-I297 HydrophobicContact CG-CG2 4.05Å; D293-I297 VanDerWaalsContact O-CG1 3.31Å; D293-I297 WeakPolarHBondContact O-CG1 3.39Å; D293-I297 PolarHBondContact O-N 2.91Å; S294-I297 PolarHBondContact O-N 3.2Å; I297-M299 VanDerWaalsContact C-N 3.32Å; I297-M299 PolarHBondContact O-N 3.48Å; I297-S300 PolarHBondContact O-N 3.38Å; I297-R301 WeakPolarHBondContact O-CB 3.48Å; I297-R301 PolarHBondContact O-N 3.35Å
298A98Very high97.5Very high0 Ų058 Ų580%031%0.312CS..Hα-helixtrans-59.5-42.8176.700000111.9I134 E269 S294 M295 R301 L302I134-A298 HydrophobicContact CD1-CB 3.84Å; E269-A298 HydrophobicContact CB-CB 3.97Å; E269-A298 HydrophobicContact CG-CB 3.76Å; E269-A298 WeakPolarHBondContact OE2-CB 3.36Å; S294-A298 PolarHBondContact O-N 2.88Å; S294-A298 VanDerWaalsContact O-N 3.09Å; M295-A298 WeakPolarHBondContact O-CB 3.43Å; M295-A298 PolarHBondContact O-N 3.05Å; A298-R301 PolarHBondContact O-N 3.35Å; A298-L302 VanDerWaalsContact O-CB 3.26Å; A298-L302 WeakPolarHBondContact O-CB 3.44Å; A298-L302 VanDerWaalsContact O-CG 3.29Å; A298-L302 WeakPolarHBondContact O-CG 3.14Å; A298-L302 PolarHBondContact O-N 3.1Å
299M98.2Very high97.4Very high12 Ų1262 Ų626%0.05934%0.338CS..Hα-helixtrans-60.3-48.1175.4-70.2177.466.900111.9I134 R135 M295 H296 I297 L302 N303 L304 I306I134-M299 HydrophobicContact CG2-CG 3.61Å; I134-M299 HydrophobicContact CG2-SD 4.32Å; R135-M299 HydrophobicContact CG-CE 3.91Å; R135-M299 HydrophobicContact CG-SD 4.11Å; M295-M299 WeakPolarHBondContact O-CG 3.35Å; M295-M299 PolarHBondContact O-N 3.48Å; H296-M299 PolarHBondContact O-N 3.32Å; I297-M299 VanDerWaalsContact C-N 3.32Å; I297-M299 PolarHBondContact O-N 3.48Å; M299-L302 CarbonylContact O-C 3.32Å; M299-L302 PolarHBondContact O-N 3.04Å; M299-N303 PolarHBondContact O-N 2.96Å; M299-L304 HydrophobicContact CB-CB 4.21Å; M299-L304 HydrophobicContact CG-CB 4.32Å; M299-L304 PolarHBondContact O-N 3.49Å; M299-I306 HydrophobicContact CE-CB 4.2Å; M299-I306 HydrophobicContact CE-CD1 4.09Å
300S97.7Very high97.4Very high98 Ų9861.2 Ų61.269%0.68533%0.325SS*.Hα-helixtrans-61.6-46.8179.4-580000111.7H296 I297 L302 N303H296-S300 PolarHBondContact O-N 3.42Å; H296-S300 PolarHBondContact O-OG 2.83Å; I297-S300 PolarHBondContact O-N 3.38Å; S300-L302 VanDerWaalsContact C-N 3.32Å; S300-L302 PolarHBondContact O-N 2.92Å; S300-N303 PolarHBondContact O-N 3.36Å
301R97.8Very high97.3Very high130 Ų13058.9 Ų58.949%0.49132%0.316SS..Hα-helixtrans-64.8-35.3-179.7-175179.359.670.63112.7E269 I297 A298E269-R301 IonicContact OE1-CZ 2.72Å; E269-R301 IonicContact OE1-NE 3.97Å; E269-R301 PolarHBondContact OE1-NE 3.1Å; E269-R301 IonicContact OE1-NH2 3.3Å; E269-R301 PolarHBondContact OE1-NH2 3.43Å; E269-R301 IonicContact OE2-CZ 3.98Å; E269-R301 IonicContact OE2-NE 3.19Å; E269-R301 IonicContact OE2-NH2 2.81Å; E269-R301 PolarHBondContact OE2-NH2 3.17Å; I297-R301 WeakPolarHBondContact O-CB 3.48Å; I297-R301 PolarHBondContact O-N 3.35Å; A298-R301 PolarHBondContact O-N 3.35Å
302L97.7Very high97.1Very high64 Ų6459.1 Ų59.134%0.33532%0.317SS..THydrogen-bonded Turntrans-93.54.8-179.3-64.3172.6000113.1I130 I134 P267 A298 M299 S300 L304I130-L302 HydrophobicContact CG2-CD1 3.62Å; I134-L302 HydrophobicContact CD1-CD1 3.82Å; P267-L302 HydrophobicContact CB-CD1 4.46Å; P267-L302 HydrophobicContact CG-CD1 4.42Å; A298-L302 VanDerWaalsContact O-CB 3.26Å; A298-L302 WeakPolarHBondContact O-CB 3.44Å; A298-L302 VanDerWaalsContact O-CG 3.29Å; A298-L302 WeakPolarHBondContact O-CG 3.14Å; A298-L302 PolarHBondContact O-N 3.1Å; M299-L302 CarbonylContact O-C 3.32Å; M299-L302 PolarHBondContact O-N 3.04Å; S300-L302 VanDerWaalsContact C-N 3.32Å; S300-L302 PolarHBondContact O-N 2.92Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 HydrophobicContact CB-CD1 3.84Å; L302-L304 HydrophobicContact CB-CD2 4.36Å; L302-L304 HydrophobicContact CB-CG 3.73Å; L302-L304 HydrophobicContact CD1-CD1 4.12Å; L302-L304 PolarHBondContact O-N 2.8Å
303N97.5Very high96.9Very high150 Ų15060.3 Ų60.380%0.80232%0.323SS*.THydrogen-bonded Turntrans52.846.6-177.6-165.944000113.4M299 S300M299-N303 PolarHBondContact O-N 2.96Å; S300-N303 PolarHBondContact O-N 3.36Å
304L97.7Very high96.3Very high35 Ų3562.3 Ų62.318%0.18333%0.334CS..  trans-98.5131.3-179.7-55.3174.7000110.3I130 I134 M299 L302I130-L304 HydrophobicContact CG2-CD1 4.44Å; I134-L304 HydrophobicContact CD1-CD1 3.8Å; M299-L304 HydrophobicContact CB-CB 4.21Å; M299-L304 HydrophobicContact CG-CB 4.32Å; M299-L304 PolarHBondContact O-N 3.49Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 HydrophobicContact CB-CD1 3.84Å; L302-L304 HydrophobicContact CB-CD2 4.36Å; L302-L304 HydrophobicContact CB-CG 3.73Å; L302-L304 HydrophobicContact CD1-CD1 4.12Å; L302-L304 PolarHBondContact O-N 2.8Å
305A96.1Very high95.9Very high37 Ų3764 Ų6431%0.30634%0.343SS..  trans-93.4146.6178.700000111.4R135 N307 D308R135-A305 VanDerWaalsContact CD-O 3.32Å; R135-A305 WeakPolarHBondContact CD-O 3.35Å; A305-N307 VanDerWaalsContact CB-OD1 3.29Å; A305-N307 WeakPolarHBondContact CB-OD1 3.47Å; A305-N307 PolarHBondContact O-N 3.23Å; A305-D308 WeakPolarHBondContact CB-OD1 3.3Å; A305-D308 PolarHBondContact N-OD2 2.92Å; A305-D308 VanDerWaalsContact N-OD2 3.09Å; A305-D308 WeakPolarHBondContact O-CB 3.49Å; A305-D308 PolarHBondContact O-N 2.94Å; A305-D308 VanDerWaalsContact O-N 3.12Å
306I93.8Very high95.2Very high109 Ų10968.8 Ų68.856%0.55937%0.374SS*.THydrogen-bonded Turntrans-60.7-29.6179-168.661.2000112.5M299M299-I306 HydrophobicContact CE-CB 4.2Å; M299-I306 HydrophobicContact CE-CD1 4.09Å
307N94Very high94.1Very high136 Ų13672.1 Ų72.173%0.72740%0.395SS*.THydrogen-bonded Turntrans-98.110.7-179.465.2-27000113.7A305A305-N307 VanDerWaalsContact CB-OD1 3.29Å; A305-N307 WeakPolarHBondContact CB-OD1 3.47Å; A305-N307 PolarHBondContact O-N 3.23Å
308D96Very high92.6Very high48 Ų4874.5 Ų74.526%0.25742%0.415SS..SBendtrans-52.4142.7168.9-77.8-16.5000109.8S131 R135 A305 Y310S131-D308 PolarHBondContact OG-OD2 3.08Å; S131-D308 VanDerWaalsContact OG-OD2 3.1Å; R135-D308 PolarHBondContact NH1-O 3.1Å; R135-D308 PolarHBondContact NH2-O 3.3Å; A305-D308 WeakPolarHBondContact CB-OD1 3.3Å; A305-D308 PolarHBondContact N-OD2 2.92Å; A305-D308 VanDerWaalsContact N-OD2 3.09Å; A305-D308 WeakPolarHBondContact O-CB 3.49Å; A305-D308 PolarHBondContact O-N 2.94Å; A305-D308 VanDerWaalsContact O-N 3.12Å; D308-Y310 PolarHBondContact O-N 2.96Å
309P96.1Very high92.3Very high87 Ų8778.2 Ų78.257%0.56544%0.436SS*.PPolyproline II helixtrans-58.3138.4172.925.6-33.2000109.7R135 D313R135-P309 PolarHBondContact NH2-O 2.86Å; P309-D313 HydrophobicContact CB-CB 4.49Å
310Y97.6Very high92Very high16 Ų1681.7 Ų81.76%0.06346%0.456CS..PPolyproline II helixtrans-76.8156168.5-73.9-79.4000109.8T132 R135 Q139 N172 D308 W312 D313T132-Y310 HydrophobicContact CG2-CD1 3.99Å; R135-Y310 HydrophobicContact CB-CE1 3.75Å; R135-Y310 VanDerWaalsContact NH1-CE1 3.3Å; Q139-Y310 PolarHBondContact NE2-OH 3.4Å; N172-Y310 HydrophobicContact CB-CD2 3.85Å; N172-Y310 HydrophobicContact CB-CE2 3.78Å; N172-Y310 VanDerWaalsContact CG-CD2 3.47Å; D308-Y310 PolarHBondContact O-N 2.96Å; Y310-W312 AromaticContact CD1-CE2 3.97Å; Y310-W312 AromaticContact CD1-CH2 3.42Å; Y310-W312 HydrophobicContact CD1-CH2 3.42Å; Y310-W312 VanDerWaalsContact CD1-CH2 3.42Å; Y310-W312 AromaticContact CD1-CZ2 3.27Å; Y310-W312 HydrophobicContact CD1-CZ2 3.27Å; Y310-W312 HydrophobicContact CD1-CZ3 4.22Å; Y310-W312 AromaticContact CD2-CZ2 3.88Å; Y310-W312 HydrophobicContact CD2-CZ2 3.88Å; Y310-W312 AromaticContact CE1-CH2 3.85Å; Y310-W312 HydrophobicContact CE1-CH2 3.85Å; Y310-W312 AromaticContact CE1-CZ2 3.77Å; Y310-W312 HydrophobicContact CE1-CZ2 3.77Å; Y310-W312 HydrophobicContact CE2-CZ2 4.33Å; Y310-W312 HydrophobicContact CG-CD2 4.42Å; Y310-W312 AromaticContact CG-CE2 3.58Å; Y310-W312 AromaticContact CG-CH2 3.93Å; Y310-W312 HydrophobicContact CG-CH2 3.93Å; Y310-W312 AromaticContact CG-CZ2 3.29Å; Y310-W312 HydrophobicContact CG-CZ2 3.29Å; Y310-W312 AromaticContact CG-NE1 3.85Å; Y310-W312 PolarHBondContact O-N 2.96Å; Y310-W312 VanDerWaalsContact O-N 3.1Å; Y310-D313 PolarHBondContact N-OD2 3Å; Y310-D313 WeakPolarHBondContact O-CB 3.34Å; Y310-D313 PolarHBondContact O-N 2.72Å
311D97.2Very high91.7Very high21 Ų2180.8 Ų80.811%0.11244%0.443CS..G310 helixtrans-60.8-30.2-177.6-52.4-23.7000112.1M123 F128 T129 T132 D313M123-D311 HydrophobicContact SD-CB 3.36Å; M123-D311 WeakPolarHBondContact SD-CB 3.26Å; F128-D311 WeakPolarHBondContact CA-OD2 3.12Å; F128-D311 WeakPolarHBondContact CB-OD2 3.33Å; F128-D311 HydrophobicContact CD1-CB 4.27Å; F128-D311 WeakPolarHBondContact CD1-OD2 3.24Å; T129-D311 WeakPolarHBondContact CB-OD1 3.37Å; T129-D311 WeakPolarHBondContact CG2-OD1 3.19Å; T129-D311 PolarHBondContact N-OD2 2.81Å; T129-D311 PolarHBondContact OG1-OD1 3.3Å; T129-D311 PolarHBondContact OG1-OD2 3.27Å; T132-D311 VanDerWaalsContact CB-OD2 3.31Å; T132-D311 WeakPolarHBondContact CB-OD2 3.4Å; T132-D311 HydrophobicContact CG2-CB 4.44Å; T132-D311 PolarHBondContact OG1-N 2.84Å; T132-D311 PolarHBondContact OG1-OD1 3.23Å; T132-D311 PolarHBondContact OG1-OD2 3.41Å; D311-D313 VanDerWaalsContact C-N 3.33Å
312W94.7Very high91.3Very high5 Ų577.9 Ų77.92%0.01944%0.441CS..G310 helixtrans-78.9-10.1177.657.170.3000114.7L116 R119 F128 T132 A136 L164 N172 Y310 N314 L315L116-W312 HydrophobicContact CD2-CE3 4.37Å; L116-W312 HydrophobicContact CD2-CH2 3.99Å; L116-W312 HydrophobicContact CD2-CZ2 4.43Å; L116-W312 HydrophobicContact CD2-CZ3 3.95Å; R119-W312 HydrophobicContact CB-CB 4.14Å; R119-W312 HydrophobicContact CB-CE3 4.46Å; R119-W312 HydrophobicContact CG-CB 3.91Å; R119-W312 HydrophobicContact CG-CG 4.4Å; F128-W312 HydrophobicContact CD1-CE3 4.41Å; F128-W312 HydrophobicContact CD1-CZ3 4.49Å; F128-W312 AromaticContact CE1-CE3 3.77Å; F128-W312 HydrophobicContact CE1-CE3 3.77Å; F128-W312 HydrophobicContact CE1-CZ3 4.05Å; F128-W312 HydrophobicContact CE2-CZ3 4.13Å; F128-W312 AromaticContact CZ-CE3 3.86Å; F128-W312 HydrophobicContact CZ-CE3 3.86Å; F128-W312 AromaticContact CZ-CZ3 3.85Å; F128-W312 HydrophobicContact CZ-CZ3 3.85Å; T132-W312 HydrophobicContact CG2-CE3 3.98Å; T132-W312 HydrophobicContact CG2-CH2 3.89Å; T132-W312 HydrophobicContact CG2-CZ3 3.36Å; A136-W312 HydrophobicContact CB-CH2 4.3Å; L164-W312 HydrophobicContact CD1-CD2 4.11Å; L164-W312 HydrophobicContact CD1-CG 3.86Å; L164-W312 HydrophobicContact CD2-CZ2 3.93Å; N172-W312 PolarHBondContact OD1-NE1 3.05Å; Y310-W312 AromaticContact CD1-CE2 3.97Å; Y310-W312 AromaticContact CD1-CH2 3.42Å; Y310-W312 HydrophobicContact CD1-CH2 3.42Å; Y310-W312 VanDerWaalsContact CD1-CH2 3.42Å; Y310-W312 AromaticContact CD1-CZ2 3.27Å; Y310-W312 HydrophobicContact CD1-CZ2 3.27Å; Y310-W312 HydrophobicContact CD1-CZ3 4.22Å; Y310-W312 AromaticContact CD2-CZ2 3.88Å; Y310-W312 HydrophobicContact CD2-CZ2 3.88Å; Y310-W312 AromaticContact CE1-CH2 3.85Å; Y310-W312 HydrophobicContact CE1-CH2 3.85Å; Y310-W312 AromaticContact CE1-CZ2 3.77Å; Y310-W312 HydrophobicContact CE1-CZ2 3.77Å; Y310-W312 HydrophobicContact CE2-CZ2 4.33Å; Y310-W312 HydrophobicContact CG-CD2 4.42Å; Y310-W312 AromaticContact CG-CE2 3.58Å; Y310-W312 AromaticContact CG-CH2 3.93Å; Y310-W312 HydrophobicContact CG-CH2 3.93Å; Y310-W312 AromaticContact CG-CZ2 3.29Å; Y310-W312 HydrophobicContact CG-CZ2 3.29Å; Y310-W312 AromaticContact CG-NE1 3.85Å; Y310-W312 PolarHBondContact O-N 2.96Å; Y310-W312 VanDerWaalsContact O-N 3.1Å; W312-N314 PolarHBondContact O-N 3.14Å; W312-L315 HydrophobicContact CB-CD1 4.04Å; W312-L315 WeakPolarHBondContact O-CB 3.46Å; W312-L315 PolarHBondContact O-N 2.79Å
313D93.6Very high90.9Very high53 Ų5378.8 Ų78.828%0.28345%0.447SS..G310 helixtrans-65.7-21.3171.4-76.3-52.7000111.3K171 N172 P309 Y310 D311K171-D313 IonicContact NZ-OD1 3.31Å; N172-D313 PolarHBondContact ND2-OD1 3.37Å; N172-D313 PolarHBondContact ND2-OD2 3.4Å; N172-D313 PolarHBondContact OD1-OD1 3.49Å; P309-D313 HydrophobicContact CB-CB 4.49Å; Y310-D313 PolarHBondContact N-OD2 3Å; Y310-D313 WeakPolarHBondContact O-CB 3.34Å; Y310-D313 PolarHBondContact O-N 2.72Å; D311-D313 VanDerWaalsContact C-N 3.33Å
314N85.9Confident90.5Very high138 Ų13874 Ų7474%0.73842%0.424SS*.G310 helixtrans-89.3-0.7177.2-61.4-46.6000113.6W312W312-N314 PolarHBondContact O-N 3.14Å
315L89.9Confident90Very high36 Ų3676.8 Ų76.819%0.18844%0.441CS..SBendtrans-92.2153.2179.1-68.5175.6000110.7Q122 M123 W312Q122-L315 HydrophobicContact CB-CD1 3.91Å; Q122-L315 HydrophobicContact CB-CD2 4.1Å; M123-L315 HydrophobicContact CE-CD1 3.17Å; M123-L315 HydrophobicContact CE-CD2 3.66Å; M123-L315 HydrophobicContact CE-CG 3.55Å; W312-L315 HydrophobicContact CB-CD1 4.04Å; W312-L315 WeakPolarHBondContact O-CB 3.46Å; W312-L315 PolarHBondContact O-N 2.79Å
316P83.8Confident89.5Confident101 Ų10179.8 Ų79.866%0.65645%0.451SS*.PPolyproline II helixtrans-58149.1172.624.7-33.3000111R119R119-P316 PolarHBondContact NH1-O 2.8Å; R119-P316 VanDerWaalsContact NH1-O 3.11Å
317D76Confident89.1Confident152 Ų15277.4 Ų77.481%0.81344%0.442SS*.PPolyproline II helixtrans-58143.1168-75-31.6000110
318P65.1Low88.7Confident136 Ų13672.1 Ų72.188%0.88342%0.416SS*.  trans-67.30-17128.7-37.1000115.4P114 L166P114-P318 HydrophobicContact CG-CB 4.41Å; L166-P318 HydrophobicContact CD2-CG 4.13Å

Retrieved 318 of 318 residues in 151.3 ms (Link to these results)

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