A0A087Y9C3_POEFO Loading...

Actin alpha 1, skeletal muscle

AlphaFold DB (P68140), UniProt , Accession A0A087Y9C3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 377 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
1M34.3Very low68.7Low232 Ų23299.8 Ų99.8100%1.14354%0.543SS*.  083.20-70.9169.2175.400104.1D3M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.12Å
2C35.1Very low71.2Confident119 Ų11991.5 Ų91.580%0.80450%0.498SS*.  trans-73.7107.8160.1-55.70000101.6D4C2-D4 VanDerWaalsContact C-N 3.28Å; C2-D4 PolarHBondContact O-N 3.37Å
3D45.2Very low73.3Confident140 Ų14084.7 Ų84.775%0.74946%0.461SS*.  trans-53.5113.1155.3-70.1-33.6000102.9M1 D5M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.12Å; D3-D5 VanDerWaalsContact C-N 3.28Å; D3-D5 PolarHBondContact O-N 3.42Å
4D48.8Very low74.9Confident150 Ų15079.4 Ų79.480%0.80243%0.432SS*.  trans-51.4108.4167.8-73.6-42.2000103.6C2 E6C2-D4 VanDerWaalsContact C-N 3.28Å; C2-D4 PolarHBondContact O-N 3.37Å; D4-E6 PolarHBondContact O-N 2.98Å
5D52.6Low76.3Confident149 Ų14974.9 Ų74.980%0.79741%0.412SS*.  trans-53.896.9-177.8-80.1-43.9000106D3 T7D3-D5 VanDerWaalsContact C-N 3.28Å; D3-D5 PolarHBondContact O-N 3.42Å; D5-T7 PolarHBondContact O-N 3.01Å
6E66.3Low77.6Confident157 Ų15770.8 Ų70.873%0.73439%0.389SS*.  trans-60.2104.7-175.8-104.1-174.4168.900105.9D4 T8D4-E6 PolarHBondContact O-N 2.98Å; E6-T8 PolarHBondContact O-N 3.33Å; E6-T8 VanDerWaalsContact O-N 3.12Å
7T84.4Confident78.6Confident76 Ų7667.5 Ų67.547%0.46638%0.376SS..PPolyproline II helixtrans-63.8122-174.644.20000108.3D5 A9 E102D5-T7 PolarHBondContact O-N 3.01Å; T7-A9 PolarHBondContact O-N 3.06Å; T7-E102 WeakPolarHBondContact CB-O 3.32Å; T7-E102 VanDerWaalsContact CG2-O 3.31Å; T7-E102 WeakPolarHBondContact CG2-O 3.39Å; T7-E102 PolarHBondContact OG1-O 3.17Å
8T94.5Very high79.7Confident67 Ų6767.9 Ų67.941%0.41138%0.377SS..PPolyproline II helixtrans-63126-173.7-50.40000109.8E6 F23 A24 H103E6-T8 PolarHBondContact O-N 3.33Å; E6-T8 VanDerWaalsContact O-N 3.12Å; T8-F23 HydrophobicContact CG2-CB 3.92Å; T8-F23 HydrophobicContact CG2-CD1 4.08Å; T8-A24 WeakPolarHBondContact CG2-O 3.28Å; T8-H103 PolarHBondContact O-ND1 3.39Å
9A97.7Very high80.7Confident8 Ų864.4 Ų64.47%0.06636%0.357CS..PPolyproline II helixtrans-65.8149.2179.700000111.8T7 A24 P104 A349 W358T7-A9 PolarHBondContact O-N 3.06Å; A9-A24 HydrophobicContact CB-CB 4.12Å; A9-A24 WeakPolarHBondContact O-CB 3.32Å; A9-A24 PolarHBondContact O-N 3.24Å; A9-P104 CarbonylContact C-O 3.52Å; A9-P104 WeakPolarHBondContact CA-O 3.35Å; A9-P104 HydrophobicContact CB-CB 4.05Å; A9-A349 HydrophobicContact CB-CB 4.18Å; A9-W358 HydrophobicContact CB-CH2 3.92Å; A9-W358 HydrophobicContact CB-CZ2 3.66Å
10L98.4Very high81.6Confident0 Ų062.3 Ų62.30%034%0.344CS..EExtended strand (participates in β ladder)trans-93.7145.2170.3-58.8178.5000110.2G22 F23 F92 L96 V98 H103 P104 L106L10-G22 WeakPolarHBondContact CA-O 3.22Å; L10-F23 HydrophobicContact CD2-CD1 3.69Å; L10-F23 HydrophobicContact CD2-CD2 4.33Å; L10-F23 HydrophobicContact CD2-CE1 3.7Å; L10-F23 HydrophobicContact CD2-CE2 4.32Å; L10-F23 HydrophobicContact CD2-CG 4.05Å; L10-F23 HydrophobicContact CD2-CZ 4.05Å; L10-F92 HydrophobicContact CD1-CD1 3.79Å; L10-F92 HydrophobicContact CD1-CE1 3.81Å; L10-L96 HydrophobicContact CD1-CD1 4.15Å; L10-L96 HydrophobicContact CD2-CD1 4.02Å; L10-V98 HydrophobicContact CD1-CG2 3.83Å; L10-H103 HydrophobicContact CD1-CB 3.87Å; L10-H103 HydrophobicContact CG-CB 3.73Å; L10-P104 PolarHBondContact N-O 2.84Å; L10-L106 PolarHBondContact O-N 3.13Å
11V98.7Very high82.4Confident0 Ų059.3 Ų59.30%033%0.328CS..EExtended strand (participates in β ladder)trans-118.9120.4172.9179.20000108.1A21 G22 A24 L106 W342 A349V11-A21 VanDerWaalsContact O-CA 3.25Å; V11-A21 WeakPolarHBondContact O-CA 2.97Å; V11-G22 PolarHBondContact N-O 3.16Å; V11-G22 PolarHBondContact O-N 3.02Å; V11-A24 HydrophobicContact CG2-CB 4.37Å; V11-L106 HydrophobicContact CG1-CD2 4.15Å; V11-L106 HydrophobicContact CG2-CB 4.47Å; V11-W342 HydrophobicContact CG1-CG 4.26Å; V11-W342 PolarHBondContact O-NE1 2.92Å; V11-W342 VanDerWaalsContact O-NE1 3.08Å; V11-A349 HydrophobicContact CG2-CB 4.26Å
12C98.6Very high85.4Confident0 Ų048.2 Ų48.20%027%0.273CS..EExtended strand (participates in β ladder)trans-119.598.9179.6-67.10000110.2N14 L106 L107 T108C12-N14 PolarHBondContact O-N 3.05Å; C12-L106 PolarHBondContact N-O 2.8Å; C12-L107 HydrophobicContact CB-CD2 3.73Å; C12-T108 PolarHBondContact O-N 2.96Å; C12-T108 VanDerWaalsContact O-N 3.16Å
13D98.5Very high88.4Confident3 Ų343.5 Ų43.52%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-80.7106.8172170.230.1000110.4G15 V19 K20 T108 Q139 V341 W342D13-G15 PolarHBondContact O-N 2.85Å; D13-V19 WeakPolarHBondContact O-CA 3.32Å; D13-K20 HydrophobicContact CB-CB 4.19Å; D13-K20 PolarHBondContact N-O 3.29Å; D13-K20 PolarHBondContact O-N 2.98Å; D13-K20 WeakPolarHBondContact OD2-CD 3.3Å; D13-K20 IonicContact OD2-NZ 3.57Å; D13-K20 PolarHBondContact OD2-NZ 3.3Å; D13-T108 VanDerWaalsContact CA-OG1 3.27Å; D13-T108 WeakPolarHBondContact CA-OG1 3.46Å; D13-T108 HydrophobicContact CB-CG2 4.03Å; D13-T108 PolarHBondContact OD1-OG1 3.24Å; D13-T108 VanDerWaalsContact OD1-OG1 3.09Å; D13-Q139 PolarHBondContact OD1-NE2 2.75Å; D13-V341 HydrophobicContact CB-CG1 4.05Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.27Å; D13-W342 HydrophobicContact CB-CB 4.23Å
14N96Very high90.9Very high10 Ų1037.4 Ų37.45%0.05321%0.208CC..EExtended strand (participates in β ladder)trans-89.981.2-175.9-57.7-55.8000110.8C12 I73 M84 W88 L107 T108 Q139C12-N14 PolarHBondContact O-N 3.05Å; N14-I73 HydrophobicContact CB-CD1 4.15Å; N14-M84 HydrophobicContact CB-CE 4.27Å; N14-M84 WeakPolarHBondContact OD1-CE 3.45Å; N14-W88 PolarHBondContact OD1-NE1 3.3Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.49Å; N14-T108 PolarHBondContact N-OG1 3.06Å; N14-T108 PolarHBondContact ND2-O 3.09Å; N14-Q139 PolarHBondContact O-NE2 3.41Å
15G96.2Very high93.1Very high13 Ų1332.6 Ų32.613%0.13419%0.194CC..  trans-85.9153175.900000113.5D13 G17 L18 S35D13-G15 PolarHBondContact O-N 2.85Å; G15-G17 PolarHBondContact O-N 2.78Å; G15-L18 WeakPolarHBondContact CA-O 3.47Å; G15-L18 PolarHBondContact N-O 3.02Å; G15-L18 VanDerWaalsContact N-O 3.14Å; G15-S35 VanDerWaalsContact O-CB 3.31Å; G15-S35 WeakPolarHBondContact O-CB 3.27Å; G15-S35 PolarHBondContact O-OG 3.04Å
16S95.9Very high95.2Very high8 Ų828 Ų286%0.05617%0.169CC..SBendtrans-65.3-24.6177-52.30000114.9I73 G76 R185S16-I73 WeakPolarHBondContact OG-CG2 3.42Å; S16-G76 WeakPolarHBondContact OG-CA 3.48Å; S16-G76 PolarHBondContact OG-N 2.88Å; S16-R185 PolarHBondContact O-NH2 2.92Å; S16-R185 VanDerWaalsContact O-NH2 3.14Å
17G95.8Very high96.4Very high15 Ų1528 Ų2816%0.15517%0.174CC..SBendtrans-103.5-39.2177.400000113.2G15 P34 S35G15-G17 PolarHBondContact O-N 2.78Å; G17-P34 WeakPolarHBondContact O-CA 3.32Å; G17-S35 PolarHBondContact O-N 2.77Å
18L97.5Very high97Very high76 Ų7626.9 Ų26.940%0.39817%0.173SC..EExtended strand (participates in β ladder)trans-139.2137.8-174.5-62.9170.9000110.7G15 V32 F33 P34 S35G15-L18 WeakPolarHBondContact CA-O 3.47Å; G15-L18 PolarHBondContact N-O 3.02Å; G15-L18 VanDerWaalsContact N-O 3.14Å; L18-V32 HydrophobicContact CB-CG1 4.42Å; L18-V32 HydrophobicContact CD1-CG1 4.11Å; L18-V32 HydrophobicContact CD2-CG1 4.48Å; L18-F33 CarbonylContact C-O 3.59Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.34Å; L18-P34 HydrophobicContact CD2-CG 4.45Å; L18-S35 WeakPolarHBondContact CA-OG 3.29Å; L18-S35 PolarHBondContact N-OG 3.41Å
19V98.4Very high97.1Very high0 Ų024.6 Ų24.60%016%0.159CC..EExtended strand (participates in β ladder)trans-87.5139.7161.1177.30000108.2D13 V32 F33 S35 I87D13-V19 WeakPolarHBondContact O-CA 3.32Å; V19-V32 WeakPolarHBondContact O-CA 3.47Å; V19-F33 HydrophobicContact CB-CD1 4.32Å; V19-F33 HydrophobicContact CB-CD2 4.46Å; V19-F33 HydrophobicContact CB-CE1 3.79Å; V19-F33 HydrophobicContact CB-CE2 3.95Å; V19-F33 HydrophobicContact CB-CZ 3.58Å; V19-F33 HydrophobicContact CG1-CE1 3.75Å; V19-F33 HydrophobicContact CG1-CZ 3.73Å; V19-F33 HydrophobicContact CG2-CE2 4.06Å; V19-F33 HydrophobicContact CG2-CZ 3.98Å; V19-F33 PolarHBondContact N-O 2.87Å; V19-F33 PolarHBondContact O-N 3.38Å; V19-F33 VanDerWaalsContact O-N 3.09Å; V19-S35 WeakPolarHBondContact CG2-OG 3.49Å; V19-S35 PolarHBondContact N-OG 2.95Å; V19-S35 VanDerWaalsContact N-OG 3.11Å; V19-I87 HydrophobicContact CG2-CG2 3.67Å
20K98.6Very high97.1Very high22 Ų2231.3 Ų31.310%0.09618%0.183CC..EExtended strand (participates in β ladder)trans-124.7127.2169.7-49.5170.9-161.270.80108.3D13 P29 A31 V32 K338 Y339 W342D13-K20 HydrophobicContact CB-CB 4.19Å; D13-K20 PolarHBondContact N-O 3.29Å; D13-K20 PolarHBondContact O-N 2.98Å; D13-K20 WeakPolarHBondContact OD2-CD 3.3Å; D13-K20 IonicContact OD2-NZ 3.57Å; D13-K20 PolarHBondContact OD2-NZ 3.3Å; K20-P29 HydrophobicContact CB-CB 4.01Å; K20-P29 HydrophobicContact CB-CG 4.27Å; K20-A31 CarbonylContact C-O 3.53Å; K20-A31 WeakPolarHBondContact CA-O 3.48Å; K20-V32 HydrophobicContact CB-CG2 4.34Å; K20-V32 HydrophobicContact CG-CG1 4.17Å; K20-V32 HydrophobicContact CG-CG2 4.09Å; K20-K338 WeakPolarHBondContact CE-O 3.31Å; K20-Y339 HydrophobicContact CD-CD1 3.77Å; K20-Y339 HydrophobicContact CD-CE1 4.39Å; K20-W342 HydrophobicContact CB-CB 4.31Å; K20-W342 HydrophobicContact CB-CG 4.33Å
21A98.8Very high97.1Very high0 Ų031.5 Ų31.50%018%0.184CC..EExtended strand (participates in β ladder)trans-138.6149.8-175.200000112V11 P29 R30 A31 T91 L96V11-A21 VanDerWaalsContact O-CA 3.25Å; V11-A21 WeakPolarHBondContact O-CA 2.97Å; A21-P29 CarbonylContact O-C 3.47Å; A21-R30 PolarHBondContact O-N 3.23Å; A21-A31 PolarHBondContact N-O 3.14Å; A21-A31 PolarHBondContact O-N 2.82Å; A21-T91 HydrophobicContact CB-CG2 3.33Å; A21-L96 HydrophobicContact CB-CD1 4.08Å; A21-L96 HydrophobicContact CB-CD2 4.32Å; A21-L96 HydrophobicContact CB-CG 4.33Å
22G98.5Very high97.1Very high0 Ų033.9 Ų33.90%020%0.199CC..EExtended strand (participates in β ladder)trans176.3-171.7179.400000111.4L10 V11L10-G22 WeakPolarHBondContact CA-O 3.22Å; V11-G22 PolarHBondContact N-O 3.16Å; V11-G22 PolarHBondContact O-N 3.02Å
23F98Very high97.1Very high20 Ų2033.9 Ų33.99%0.08820%0.199CC..EExtended strand (participates in β ladder)trans-95143.4-177.6-65.4-103.6000109.9T8 L10 D26 R30 L96 V98 H103T8-F23 HydrophobicContact CG2-CB 3.92Å; T8-F23 HydrophobicContact CG2-CD1 4.08Å; L10-F23 HydrophobicContact CD2-CD1 3.69Å; L10-F23 HydrophobicContact CD2-CD2 4.33Å; L10-F23 HydrophobicContact CD2-CE1 3.7Å; L10-F23 HydrophobicContact CD2-CE2 4.32Å; L10-F23 HydrophobicContact CD2-CG 4.05Å; L10-F23 HydrophobicContact CD2-CZ 4.05Å; F23-D26 WeakPolarHBondContact O-CB 3.3Å; F23-D26 PolarHBondContact O-N 3.14Å; F23-R30 HydrophobicContact CD2-CG 4.29Å; F23-R30 VanDerWaalsContact CE2-CZ 3.42Å; F23-L96 HydrophobicContact CE2-CD2 4.42Å; F23-V98 HydrophobicContact CE1-CG1 4.21Å; F23-V98 HydrophobicContact CZ-CG1 3.6Å; F23-H103 AromaticContact CE1-CE1 3.88Å
24A97.1Very high97.1Very high11 Ų1134.8 Ų34.89%0.09121%0.205CC..THydrogen-bonded Turntrans-60.7138.9171.400000110.4T8 A9 V11 D26 A349T8-A24 WeakPolarHBondContact CG2-O 3.28Å; A9-A24 HydrophobicContact CB-CB 4.12Å; A9-A24 WeakPolarHBondContact O-CB 3.32Å; A9-A24 PolarHBondContact O-N 3.24Å; V11-A24 HydrophobicContact CG2-CB 4.37Å; A24-D26 VanDerWaalsContact C-N 3.34Å; A24-A349 HydrophobicContact CB-CB 3.64Å
25G94.6Very high97.2Very high50 Ų5034.3 Ų34.352%0.51520%0.202SC..THydrogen-bonded Turntrans89.7-15.6-173.800000114.8S346G25-S346 PolarHBondContact N-OG 2.76Å
26D96Very high97.2Very high51 Ų5133.8 Ų33.827%0.27320%0.196SC..  trans-73146.4170.8-73.5-11000110.1F23 A24 A28 R30 W342 S346F23-D26 WeakPolarHBondContact O-CB 3.3Å; F23-D26 PolarHBondContact O-N 3.14Å; A24-D26 VanDerWaalsContact C-N 3.34Å; D26-A28 VanDerWaalsContact C-N 3.32Å; D26-A28 PolarHBondContact O-N 3.37Å; D26-R30 IonicContact OD1-NH2 3.89Å; D26-R30 IonicContact OD2-CZ 3.29Å; D26-R30 IonicContact OD2-NE 3.56Å; D26-R30 PolarHBondContact OD2-NE 2.83Å; D26-R30 IonicContact OD2-NH2 2.93Å; D26-R30 PolarHBondContact OD2-NH2 2.96Å; D26-R30 VanDerWaalsContact OD2-NH2 3.09Å; D26-W342 HydrophobicContact CB-CH2 3.85Å; D26-W342 VanDerWaalsContact O-CH2 3.29Å; D26-W342 WeakPolarHBondContact O-CH2 3.48Å; D26-W342 WeakPolarHBondContact O-CZ3 3.49Å; D26-S346 PolarHBondContact O-OG 3.14Å
27D93.2Very high97.3Very high158 Ų15833.4 Ų33.485%0.84519%0.193SC*.SBendtrans-75.7-17.3-179.2-67.9-40.3000113.7
28A95.7Very high97.4Very high52 Ų5232.7 Ų32.743%0.4319%0.186SC..SBendtrans-150.5153.2-177.800000111D26 R30 W342D26-A28 VanDerWaalsContact C-N 3.32Å; D26-A28 PolarHBondContact O-N 3.37Å; A28-R30 PolarHBondContact O-N 3.05Å; A28-W342 VanDerWaalsContact CA-CZ3 3.46Å; A28-W342 WeakPolarHBondContact O-CH2 3.34Å
29P97.9Very high97.3Very high19 Ų1932.9 Ų32.912%0.12318%0.181CC..  trans-61139176.325.7-33.9000110.7K20 A21 A31 V32 Y339 W342K20-P29 HydrophobicContact CB-CB 4.01Å; K20-P29 HydrophobicContact CB-CG 4.27Å; A21-P29 CarbonylContact O-C 3.47Å; P29-A31 VanDerWaalsContact C-N 3.32Å; P29-V32 HydrophobicContact CB-CG2 4.09Å; P29-V32 HydrophobicContact CG-CG2 3.63Å; P29-Y339 HydrophobicContact CG-CD1 4.4Å; P29-Y339 HydrophobicContact CG-CG 4.47Å; P29-W342 HydrophobicContact CB-CD2 3.75Å; P29-W342 HydrophobicContact CB-CE3 4.23Å; P29-W342 HydrophobicContact CB-CG 3.99Å; P29-W342 HydrophobicContact CB-CZ2 4.42Å; P29-W342 HydrophobicContact CG-CD2 4.29Å; P29-W342 HydrophobicContact CG-CE3 4.41Å; P29-W342 HydrophobicContact CG-CG 4.5Å
30R97.8Very high97Very high150 Ų15035.1 Ų35.157%0.56620%0.196SC*.SBendtrans-72.2-28.4174.5-66-159-176.9174.84.5112.6A21 F23 D26 A28 L96A21-R30 PolarHBondContact O-N 3.23Å; F23-R30 HydrophobicContact CD2-CG 4.29Å; F23-R30 VanDerWaalsContact CE2-CZ 3.42Å; D26-R30 IonicContact OD1-NH2 3.89Å; D26-R30 IonicContact OD2-CZ 3.29Å; D26-R30 IonicContact OD2-NE 3.56Å; D26-R30 PolarHBondContact OD2-NE 2.83Å; D26-R30 IonicContact OD2-NH2 2.93Å; D26-R30 PolarHBondContact OD2-NH2 2.96Å; D26-R30 VanDerWaalsContact OD2-NH2 3.09Å; A28-R30 PolarHBondContact O-N 3.05Å; R30-L96 HydrophobicContact CB-CD2 3.95Å
31A98.3Very high96.5Very high4 Ų440 Ų403%0.03321%0.214CC..EExtended strand (participates in β ladder)trans-134.1137.4-179.700000111K20 A21 P29 F33 E95K20-A31 CarbonylContact C-O 3.53Å; K20-A31 WeakPolarHBondContact CA-O 3.48Å; A21-A31 PolarHBondContact N-O 3.14Å; A21-A31 PolarHBondContact O-N 2.82Å; P29-A31 VanDerWaalsContact C-N 3.32Å; A31-F33 HydrophobicContact CB-CD1 4.44Å; A31-E95 HydrophobicContact CB-CB 3.66Å; A31-E95 HydrophobicContact CB-CG 4.25Å
32V98.3Very high95.7Very high50 Ų5046.2 Ų46.230%0.30324%0.243SC..EExtended strand (participates in β ladder)trans-139.1113172.1-178.80000107.6L18 V19 K20 P29 Y339L18-V32 HydrophobicContact CB-CG1 4.42Å; L18-V32 HydrophobicContact CD1-CG1 4.11Å; L18-V32 HydrophobicContact CD2-CG1 4.48Å; V19-V32 WeakPolarHBondContact O-CA 3.47Å; K20-V32 HydrophobicContact CB-CG2 4.34Å; K20-V32 HydrophobicContact CG-CG1 4.17Å; K20-V32 HydrophobicContact CG-CG2 4.09Å; P29-V32 HydrophobicContact CB-CG2 4.09Å; P29-V32 HydrophobicContact CG-CG2 3.63Å; V32-Y339 HydrophobicContact CG2-CE1 4.3Å
33F98.4Very high94.4Very high0 Ų055.8 Ų55.80%029%0.288CS..EExtended strand (participates in β ladder)trans-144.1156.8-174.765.6-89.8000112L18 V19 A31 S35 V56 I87 H90 T91 E95L18-F33 CarbonylContact C-O 3.59Å; L18-F33 VanDerWaalsContact CA-O 3.31Å; L18-F33 WeakPolarHBondContact CA-O 3.34Å; V19-F33 HydrophobicContact CB-CD1 4.32Å; V19-F33 HydrophobicContact CB-CD2 4.46Å; V19-F33 HydrophobicContact CB-CE1 3.79Å; V19-F33 HydrophobicContact CB-CE2 3.95Å; V19-F33 HydrophobicContact CB-CZ 3.58Å; V19-F33 HydrophobicContact CG1-CE1 3.75Å; V19-F33 HydrophobicContact CG1-CZ 3.73Å; V19-F33 HydrophobicContact CG2-CE2 4.06Å; V19-F33 HydrophobicContact CG2-CZ 3.98Å; V19-F33 PolarHBondContact N-O 2.87Å; V19-F33 PolarHBondContact O-N 3.38Å; V19-F33 VanDerWaalsContact O-N 3.09Å; A31-F33 HydrophobicContact CB-CD1 4.44Å; F33-S35 PolarHBondContact O-N 2.63Å; F33-V56 HydrophobicContact CE2-CG1 4.31Å; F33-I87 HydrophobicContact CE2-CG2 4.16Å; F33-I87 HydrophobicContact CZ-CG2 4.24Å; F33-H90 AromaticContact CE2-CD2 3.72Å; F33-H90 AromaticContact CZ-CD2 3.94Å; F33-T91 VanDerWaalsContact CZ-OG1 3.31Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.33Å; F33-E95 HydrophobicContact CD1-CG 3.77Å; F33-E95 HydrophobicContact CE1-CB 4.48Å; F33-E95 HydrophobicContact CE1-CG 3.79Å
34P97.9Very high93Very high21 Ų2156.7 Ų56.714%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-58.1132.7178.4-27.736.8000114.4G17 L18 I36 G57 D58 Q61G17-P34 WeakPolarHBondContact O-CA 3.32Å; L18-P34 HydrophobicContact CD2-CG 4.45Å; P34-I36 HydrophobicContact CB-CD1 3.85Å; P34-I36 HydrophobicContact CB-CG1 3.86Å; P34-I36 HydrophobicContact CB-CG2 4.4Å; P34-I36 PolarHBondContact O-N 2.9Å; P34-G57 WeakPolarHBondContact O-CA 3.23Å; P34-D58 WeakPolarHBondContact CD-OD1 3.47Å; P34-Q61 HydrophobicContact CG-CB 4.5Å
35S97.8Very high91.3Very high0 Ų060.1 Ų60.10%032%0.322CS..SBendtrans-7761.5176.8-54.70000111.9G15 G17 L18 V19 F33 P72G15-S35 VanDerWaalsContact O-CB 3.31Å; G15-S35 WeakPolarHBondContact O-CB 3.27Å; G15-S35 PolarHBondContact O-OG 3.04Å; G17-S35 PolarHBondContact O-N 2.77Å; L18-S35 WeakPolarHBondContact CA-OG 3.29Å; L18-S35 PolarHBondContact N-OG 3.41Å; V19-S35 WeakPolarHBondContact CG2-OG 3.49Å; V19-S35 PolarHBondContact N-OG 2.95Å; V19-S35 VanDerWaalsContact N-OG 3.11Å; F33-S35 PolarHBondContact O-N 2.63Å; S35-P72 WeakPolarHBondContact O-CD 3.39Å
36I97.7Very high89.7Confident2 Ų258.1 Ų58.11%0.0130%0.3CS..  trans-135149.4-172.866.5-178.1000112.7P34 V56 G57 A60 Q61 L69 K70 Y71P34-I36 HydrophobicContact CB-CD1 3.85Å; P34-I36 HydrophobicContact CB-CG1 3.86Å; P34-I36 HydrophobicContact CB-CG2 4.4Å; P34-I36 PolarHBondContact O-N 2.9Å; I36-V56 WeakPolarHBondContact O-CA 3.47Å; I36-G57 PolarHBondContact O-N 3.19Å; I36-G57 VanDerWaalsContact O-N 3.13Å; I36-A60 HydrophobicContact CD1-CB 4.07Å; I36-A60 HydrophobicContact CG1-CB 4Å; I36-Q61 HydrophobicContact CD1-CB 3.99Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.31Å; I36-L69 HydrophobicContact CD1-CD1 4.25Å; I36-K70 WeakPolarHBondContact CA-O 3.43Å; I36-Y71 HydrophobicContact CG2-CD1 3.47Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.47Å; I36-Y71 HydrophobicContact CG2-CE1 3.27Å; I36-Y71 HydrophobicContact CG2-CG 4.2Å
37V98.3Very high88Confident0 Ų061.5 Ų61.50%032%0.322CS..EExtended strand (participates in β ladder)trans-121.6127.6170-177.90000109.2Y55 V56 K70 D83 K86 I87V37-Y55 CarbonylContact C-O 3.59Å; V37-Y55 WeakPolarHBondContact CA-O 3.27Å; V37-V56 HydrophobicContact CG2-CG2 4.39Å; V37-K70 PolarHBondContact N-O 3.2Å; V37-K70 PolarHBondContact O-N 2.94Å; V37-D83 HydrophobicContact CB-CB 4.24Å; V37-D83 HydrophobicContact CG2-CB 3.78Å; V37-K86 HydrophobicContact CG1-CD 4.18Å; V37-K86 HydrophobicContact CG2-CB 4.49Å; V37-I87 HydrophobicContact CG2-CD1 4.34Å; V37-I87 HydrophobicContact CG2-CG1 3.96Å
38G96.7Very high86.6Confident0 Ų057.9 Ų57.90%032%0.322CS..EExtended strand (participates in β ladder)trans-110136.1178.200000112.5S54 Y55 T68 L69G38-S54 CarbonylContact O-C 3.52Å; G38-S54 VanDerWaalsContact O-CA 3.29Å; G38-S54 WeakPolarHBondContact O-CA 3.38Å; G38-Y55 PolarHBondContact N-O 2.94Å; G38-Y55 PolarHBondContact O-N 3.25Å; G38-T68 WeakPolarHBondContact CA-O 3.43Å; G38-L69 VanDerWaalsContact CA-CD2 3.5Å
39R95Very high85Confident80 Ų8062.3 Ų62.330%0.30234%0.335SS..EExtended strand (participates in β ladder)trans-122.4140.2175-67.2179.5174.382.5-10111.2R41 L67 T68 D83R39-R41 PolarHBondContact O-N 3.06Å; R39-L67 CarbonylContact O-C 3.21Å; R39-L67 VanDerWaalsContact O-CA 3.32Å; R39-L67 WeakPolarHBondContact O-CA 3.37Å; R39-T68 PolarHBondContact N-O 2.89Å; R39-T68 PolarHBondContact O-N 3.09Å; R39-D83 IonicContact CZ-OD1 3.78Å; R39-D83 VanDerWaalsContact CZ-OD1 3.25Å; R39-D83 IonicContact CZ-OD2 3.39Å; R39-D83 IonicContact NH1-OD1 2.87Å; R39-D83 PolarHBondContact NH1-OD1 2.81Å; R39-D83 IonicContact NH1-OD2 3.25Å; R39-D83 PolarHBondContact NH1-OD2 2.94Å; R39-D83 IonicContact NH2-OD1 3.76Å; R39-D83 PolarHBondContact NH2-OD1 2.87Å; R39-D83 IonicContact NH2-OD2 2.77Å
40P92.3Very high83.4Confident48 Ų4863.8 Ų63.831%0.31235%0.354SS..EExtended strand (participates in β ladder)trans-55.6132.7179.5-26.235.1000112.6M46 Y55 L67P40-M46 HydrophobicContact CB-SD 4.49Å; P40-M46 HydrophobicContact CG-SD 3.92Å; P40-Y55 HydrophobicContact CG-CE2 4.15Å; P40-L67 HydrophobicContact CB-CD2 4.37Å; P40-L67 HydrophobicContact CG-CD2 4.1Å
41R88.6Confident82.1Confident123 Ų12362.9 Ų62.946%0.46436%0.356SS..SBendtrans-70.7-31.5177.9-72.4-179.3-170.5-179.310.2113.4R39 R64 I66 L67 T68R39-R41 PolarHBondContact O-N 3.06Å; R41-R64 PolarHBondContact NH2-O 3.26Å; R41-I66 PolarHBondContact N-O 2.91Å; R41-L67 PolarHBondContact NE-O 3.18Å; R41-L67 PolarHBondContact NH2-O 3.43Å; R41-T68 WeakPolarHBondContact CG-OG1 3.21Å
42H81.9Confident81.4Confident131 Ų13167.4 Ų67.461%0.60638%0.375SS*.SBendtrans-137.4136.9-178-50.885000108.9V45H42-V45 HydrophobicContact CB-CG2 3.67Å
43Q71.6Confident81Confident202 Ų20272 Ų7294%0.94440%0.398SS*.THydrogen-bonded Turntrans-65.1138.1172.4-70.8-178.5-16.600109.6
44G67.5Low80.8Confident39 Ų3973.4 Ų73.440%0.40241%0.408SS..THydrogen-bonded Turntrans89.3-8.4176.600000116.7M46 V47G44-M46 PolarHBondContact O-N 3.04Å; G44-M46 VanDerWaalsContact O-N 3.12Å; G44-V47 VanDerWaalsContact O-CG2 3.27Å; G44-V47 WeakPolarHBondContact O-CG2 3.49Å; G44-V47 PolarHBondContact O-N 3.08Å
45V61.3Low80.7Confident82 Ų8272.6 Ų72.650%0.49740%0.402SS..THydrogen-bonded Turntrans-66-16.7176.5-178.20000112.2H42 I66H42-V45 HydrophobicContact CB-CG2 3.67Å; V45-I66 HydrophobicContact CG1-CB 4.41Å; V45-I66 HydrophobicContact CG1-CG2 4.15Å
46M62.6Low80.7Confident9 Ų973.1 Ų73.14%0.04441%0.405CS..THydrogen-bonded Turntrans-110.625-176.7-66.3177.2158.400113.8P40 G44 G48 M49 Q51 Y55 K63 I66 L67P40-M46 HydrophobicContact CB-SD 4.49Å; P40-M46 HydrophobicContact CG-SD 3.92Å; G44-M46 PolarHBondContact O-N 3.04Å; G44-M46 VanDerWaalsContact O-N 3.12Å; M46-G48 PolarHBondContact O-N 3.17Å; M46-M49 PolarHBondContact O-N 3.45Å; M46-M49 VanDerWaalsContact O-N 3.14Å; M46-Q51 HydrophobicContact CB-CG 4.15Å; M46-Y55 HydrophobicContact CE-CD2 4.36Å; M46-Y55 HydrophobicContact CE-CE2 3.56Å; M46-Y55 HydrophobicContact SD-CE2 3.64Å; M46-Y55 PolarHBondContact SD-OH 3.03Å; M46-K63 HydrophobicContact CE-CD 3.92Å; M46-I66 HydrophobicContact CE-CD1 3.45Å; M46-I66 VanDerWaalsContact CE-CD1 3.45Å; M46-I66 HydrophobicContact CE-CG1 4.12Å; M46-I66 HydrophobicContact CG-CD1 4.42Å; M46-L67 HydrophobicContact CE-CD2 3.72Å
47V58.6Low80.7Confident122 Ų12273 Ų7374%0.73941%0.405SS*.THydrogen-bonded Turntrans-56.9115.6173.7172.80000109.1G44G44-V47 VanDerWaalsContact O-CG2 3.27Å; G44-V47 WeakPolarHBondContact O-CG2 3.49Å; G44-V47 PolarHBondContact O-N 3.08Å
48G64.6Low80.6Confident82 Ų8277.3 Ų77.385%0.84543%0.428SS*.THydrogen-bonded Turntrans99.9-12.1179.300000116.6M46M46-G48 PolarHBondContact O-N 3.17Å
49M62.7Low80.5Confident144 Ų14480.1 Ų80.171%0.70944%0.441SS*.SBendtrans-99.96.6-177.1-61.8-169.792.100114.7M46M46-M49 PolarHBondContact O-N 3.45Å; M46-M49 VanDerWaalsContact O-N 3.14Å
50G64Low80.6Confident51 Ų5176.3 Ų76.353%0.52643%0.427SS..  trans75.397.7-168.200000110.2K52 Y55G50-K52 PolarHBondContact O-N 2.89Å; G50-Y55 PolarHBondContact O-OH 3.37Å
51Q70.2Confident80.7Confident130 Ų13076.1 Ų76.161%0.60742%0.422SS*.  trans-69.9103.1177.5-76.5-179-13.800109.1M46M46-Q51 HydrophobicContact CB-CG 4.15Å
52K84.1Confident80.9Confident99 Ų9974.9 Ų74.943%0.4343%0.432SS..  trans-94.6145.1163.9-60.7-178.4-174171.50108.5G50 S54 Y55 E59G50-K52 PolarHBondContact O-N 2.89Å; K52-S54 WeakPolarHBondContact CB-O 3.41Å; K52-S54 PolarHBondContact O-N 3.18Å; K52-Y55 HydrophobicContact CB-CE1 4.11Å; K52-Y55 HydrophobicContact CB-CE2 4.27Å; K52-Y55 HydrophobicContact CD-CD1 4.32Å; K52-Y55 HydrophobicContact CD-CE1 3.99Å; K52-Y55 HydrophobicContact CG-CE1 4.29Å; K52-Y55 PolarHBondContact N-OH 3.03Å; K52-E59 IonicContact NZ-OE1 3.84Å; K52-E59 IonicContact NZ-OE2 3.27Å; K52-E59 PolarHBondContact NZ-OE2 2.99Å
53D88.5Confident81.4Confident147 Ų14770.8 Ų70.879%0.78641%0.412SS*.SBendtrans-68.8-25.2175.3-63.9-31.6000112.3
54S94.2Very high82.3Confident29 Ų2962.1 Ų62.120%0.20337%0.371CS..  trans-150153.3178.456.70000112.6G38 K52 K86G38-S54 CarbonylContact O-C 3.52Å; G38-S54 VanDerWaalsContact O-CA 3.29Å; G38-S54 WeakPolarHBondContact O-CA 3.38Å; K52-S54 WeakPolarHBondContact CB-O 3.41Å; K52-S54 PolarHBondContact O-N 3.18Å; S54-K86 WeakPolarHBondContact OG-CD 3.45Å
55Y96Very high83.3Confident5 Ų563.4 Ų63.42%0.0238%0.384CS..EExtended strand (participates in β ladder)trans-122.1149.6175.8-61.4-86.4000108.5V37 G38 P40 M46 G50 K52 E59 K63 L67V37-Y55 CarbonylContact C-O 3.59Å; V37-Y55 WeakPolarHBondContact CA-O 3.27Å; G38-Y55 PolarHBondContact N-O 2.94Å; G38-Y55 PolarHBondContact O-N 3.25Å; P40-Y55 HydrophobicContact CG-CE2 4.15Å; M46-Y55 HydrophobicContact CE-CD2 4.36Å; M46-Y55 HydrophobicContact CE-CE2 3.56Å; M46-Y55 HydrophobicContact SD-CE2 3.64Å; M46-Y55 PolarHBondContact SD-OH 3.03Å; G50-Y55 PolarHBondContact O-OH 3.37Å; K52-Y55 HydrophobicContact CB-CE1 4.11Å; K52-Y55 HydrophobicContact CB-CE2 4.27Å; K52-Y55 HydrophobicContact CD-CD1 4.32Å; K52-Y55 HydrophobicContact CD-CE1 3.99Å; K52-Y55 HydrophobicContact CG-CE1 4.29Å; K52-Y55 PolarHBondContact N-OH 3.03Å; Y55-E59 HydrophobicContact CD1-CG 3.76Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.29Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.27Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.3Å; Y55-K63 HydrophobicContact CD1-CD 4.16Å; Y55-K63 HydrophobicContact CE1-CD 4.13Å; Y55-L67 HydrophobicContact CD2-CD1 3.7Å; Y55-L67 HydrophobicContact CD2-CD2 3.76Å; Y55-L67 HydrophobicContact CD2-CG 4.42Å; Y55-L67 HydrophobicContact CE2-CD2 4.08Å; Y55-L67 HydrophobicContact CG-CD1 3.91Å
56V98Very high84.7Confident11 Ų1162.7 Ų62.77%0.06738%0.377CS..EExtended strand (participates in β ladder)trans-128.3151.1-177.5-176.60000109.8F33 I36 V37 E59 A60 K86 I87 H90F33-V56 HydrophobicContact CE2-CG1 4.31Å; I36-V56 WeakPolarHBondContact O-CA 3.47Å; V37-V56 HydrophobicContact CG2-CG2 4.39Å; V56-E59 WeakPolarHBondContact O-CB 3.31Å; V56-E59 PolarHBondContact O-N 3.19Å; V56-A60 PolarHBondContact O-N 3.32Å; V56-K86 HydrophobicContact CG2-CB 4.24Å; V56-I87 HydrophobicContact CG1-CG1 3.88Å; V56-H90 HydrophobicContact CB-CB 3.94Å; V56-H90 HydrophobicContact CG1-CB 3.69Å; V56-H90 HydrophobicContact CG2-CB 4.27Å
57G97.7Very high86.1Confident0 Ų062.3 Ų62.30%038%0.375CS..Hα-helixtrans62.5-137.2168.700000114.2P34 I36 E59 A60 Q61P34-G57 WeakPolarHBondContact O-CA 3.23Å; I36-G57 PolarHBondContact O-N 3.19Å; I36-G57 VanDerWaalsContact O-N 3.13Å; G57-E59 PolarHBondContact O-N 3.42Å; G57-A60 WeakPolarHBondContact O-CB 3.36Å; G57-A60 PolarHBondContact O-N 3.34Å; G57-Q61 PolarHBondContact O-N 3.03Å
58D97.1Very high87.8Confident89 Ų8959.8 Ų59.848%0.47636%0.36SS..Hα-helixtrans-62.1-30.6-179.8-67.3-41.3000112.4P34 A60 Q61 S62P34-D58 WeakPolarHBondContact CD-OD1 3.47Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 3.35Å; D58-Q61 PolarHBondContact O-N 3.11Å; D58-S62 WeakPolarHBondContact O-CB 3.49Å; D58-S62 PolarHBondContact O-N 3.44Å; D58-S62 PolarHBondContact O-OG 3Å
59E95.1Very high89.3Confident60 Ų6057.2 Ų57.228%0.2833%0.327SS..Hα-helixtrans-64.7-39.3174.7-164.9-177.3-18000111.2K52 Y55 V56 G57 S62 K63K52-E59 IonicContact NZ-OE1 3.84Å; K52-E59 IonicContact NZ-OE2 3.27Å; K52-E59 PolarHBondContact NZ-OE2 2.99Å; Y55-E59 HydrophobicContact CD1-CG 3.76Å; Y55-E59 WeakPolarHBondContact CD1-OE1 3.29Å; Y55-E59 VanDerWaalsContact CE1-OE1 3.27Å; Y55-E59 WeakPolarHBondContact CE1-OE1 3.3Å; V56-E59 WeakPolarHBondContact O-CB 3.31Å; V56-E59 PolarHBondContact O-N 3.19Å; G57-E59 PolarHBondContact O-N 3.42Å; E59-S62 PolarHBondContact O-OG 2.84Å; E59-S62 VanDerWaalsContact O-OG 3.09Å; E59-K63 WeakPolarHBondContact O-CG 3.43Å; E59-K63 IonicContact OE1-NZ 3.25Å; E59-K63 PolarHBondContact OE1-NZ 3.39Å
60A95.9Very high90.9Very high0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-71.1-41.8173.800000111.5I36 V56 G57 D58 K63 R64 L67 L69I36-A60 HydrophobicContact CD1-CB 4.07Å; I36-A60 HydrophobicContact CG1-CB 4Å; V56-A60 PolarHBondContact O-N 3.32Å; G57-A60 WeakPolarHBondContact O-CB 3.36Å; G57-A60 PolarHBondContact O-N 3.34Å; D58-A60 VanDerWaalsContact C-N 3.33Å; D58-A60 PolarHBondContact O-N 3.35Å; A60-K63 CarbonylContact O-C 3.5Å; A60-K63 PolarHBondContact O-N 2.81Å; A60-R64 PolarHBondContact O-N 3.49Å; A60-L67 HydrophobicContact CB-CD1 4.43Å; A60-L69 HydrophobicContact CB-CD2 3.98Å
61Q94.7Very high92.5Very high44 Ų4455.8 Ų55.821%0.20630%0.301CS..Hα-helixtrans-62.1-47.7-178.1-173.163.69.300111.8P34 I36 G57 D58 K63 R64 E209P34-Q61 HydrophobicContact CG-CB 4.5Å; I36-Q61 HydrophobicContact CD1-CB 3.99Å; I36-Q61 VanDerWaalsContact CD1-OE1 3.31Å; G57-Q61 PolarHBondContact O-N 3.03Å; D58-Q61 PolarHBondContact O-N 3.11Å; Q61-K63 PolarHBondContact O-N 3.04Å; Q61-R64 VanDerWaalsContact O-CB 3.28Å; Q61-R64 WeakPolarHBondContact O-CB 3.49Å; Q61-R64 PolarHBondContact O-N 3.45Å; Q61-R64 VanDerWaalsContact O-N 3.16Å; Q61-E209 VanDerWaalsContact NE2-CG 3.33Å; Q61-E209 PolarHBondContact NE2-OE1 2.8Å; Q61-E209 PolarHBondContact NE2-OE2 3.24Å
62S92.9Very high93.8Very high97 Ų9749.6 Ų49.668%0.67827%0.272SS*.Hα-helixtrans-62.1-23.8178.457.10000113.5D58 E59D58-S62 WeakPolarHBondContact O-CB 3.49Å; D58-S62 PolarHBondContact O-N 3.44Å; D58-S62 PolarHBondContact O-OG 3Å; E59-S62 PolarHBondContact O-OG 2.84Å; E59-S62 VanDerWaalsContact O-OG 3.09Å
63K91.9Very high94.4Very high45 Ų4545 Ų4520%0.19625%0.252CS..THydrogen-bonded Turntrans-103.314.4179.8-62.7-177.9179.8101.60113.3M46 Y55 E59 A60 Q61 G65 I66 L67M46-K63 HydrophobicContact CE-CD 3.92Å; Y55-K63 HydrophobicContact CD1-CD 4.16Å; Y55-K63 HydrophobicContact CE1-CD 4.13Å; E59-K63 WeakPolarHBondContact O-CG 3.43Å; E59-K63 IonicContact OE1-NZ 3.25Å; E59-K63 PolarHBondContact OE1-NZ 3.39Å; A60-K63 CarbonylContact O-C 3.5Å; A60-K63 PolarHBondContact O-N 2.81Å; Q61-K63 PolarHBondContact O-N 3.04Å; K63-G65 PolarHBondContact O-N 3.5Å; K63-I66 HydrophobicContact CB-CG1 4.22Å; K63-I66 VanDerWaalsContact O-CG1 3.3Å; K63-I66 WeakPolarHBondContact O-CG1 3.36Å; K63-I66 PolarHBondContact O-N 3.19Å; K63-L67 HydrophobicContact CB-CD1 3.55Å; K63-L67 HydrophobicContact CB-CG 3.81Å; K63-L67 WeakPolarHBondContact O-CG 3.4Å; K63-L67 PolarHBondContact O-N 2.73Å; K63-L67 VanDerWaalsContact O-N 3.14Å
64R91.7Very high94.7Very high20 Ų2042.5 Ų42.58%0.07524%0.235CC..THydrogen-bonded Turntrans-48.9-35-176.7177.7175.5-70.6-100.6-5.1114.8R41 A60 Q61 I66 L67 L69 Y71 T205 E209R41-R64 PolarHBondContact NH2-O 3.26Å; A60-R64 PolarHBondContact O-N 3.49Å; Q61-R64 VanDerWaalsContact O-CB 3.28Å; Q61-R64 WeakPolarHBondContact O-CB 3.49Å; Q61-R64 PolarHBondContact O-N 3.45Å; Q61-R64 VanDerWaalsContact O-N 3.16Å; R64-I66 VanDerWaalsContact C-N 3.27Å; R64-I66 PolarHBondContact O-N 3.21Å; R64-L67 VanDerWaalsContact O-O 3.07Å; R64-L69 HydrophobicContact CB-CD1 3.8Å; R64-L69 HydrophobicContact CG-CD1 3.62Å; R64-L69 HydrophobicContact CG-CG 4.46Å; R64-L69 VanDerWaalsContact NE-CD1 3.34Å; R64-L69 VanDerWaalsContact NH2-CD1 3.26Å; R64-Y71 PolarHBondContact NH2-OH 3.14Å; R64-Y71 VanDerWaalsContact NH2-OH 3.14Å; R64-T205 PolarHBondContact NH1-O 2.98Å; R64-E209 IonicContact CZ-OE1 2.75Å; R64-E209 IonicContact NH2-OE1 2.99Å; R64-E209 PolarHBondContact NH2-OE1 2.88Å
65G88.4Confident94.7Very high66 Ų6644.4 Ų44.468%0.6824%0.241SC*.THydrogen-bonded Turntrans-62.9-29.2-179.600000114.4K63K63-G65 PolarHBondContact O-N 3.5Å
66I90Very high94.6Very high67 Ų6744.8 Ų44.834%0.34425%0.246SC..THydrogen-bonded Turntrans-113-5.9-177.360.7174.5000113.1R41 V45 M46 K63 R64R41-I66 PolarHBondContact N-O 2.91Å; V45-I66 HydrophobicContact CG1-CB 4.41Å; V45-I66 HydrophobicContact CG1-CG2 4.15Å; M46-I66 HydrophobicContact CE-CD1 3.45Å; M46-I66 VanDerWaalsContact CE-CD1 3.45Å; M46-I66 HydrophobicContact CE-CG1 4.12Å; M46-I66 HydrophobicContact CG-CD1 4.42Å; K63-I66 HydrophobicContact CB-CG1 4.22Å; K63-I66 VanDerWaalsContact O-CG1 3.3Å; K63-I66 WeakPolarHBondContact O-CG1 3.36Å; K63-I66 PolarHBondContact O-N 3.19Å; R64-I66 VanDerWaalsContact C-N 3.27Å; R64-I66 PolarHBondContact O-N 3.21Å
67L92.6Very high94.6Very high0 Ų045.4 Ų45.40%025%0.249CC..EExtended strand (participates in β ladder)trans-107148.4179.5-59-174.7000112R39 P40 R41 M46 Y55 A60 K63 R64 L69R39-L67 CarbonylContact O-C 3.21Å; R39-L67 VanDerWaalsContact O-CA 3.32Å; R39-L67 WeakPolarHBondContact O-CA 3.37Å; P40-L67 HydrophobicContact CB-CD2 4.37Å; P40-L67 HydrophobicContact CG-CD2 4.1Å; R41-L67 PolarHBondContact NE-O 3.18Å; R41-L67 PolarHBondContact NH2-O 3.43Å; M46-L67 HydrophobicContact CE-CD2 3.72Å; Y55-L67 HydrophobicContact CD2-CD1 3.7Å; Y55-L67 HydrophobicContact CD2-CD2 3.76Å; Y55-L67 HydrophobicContact CD2-CG 4.42Å; Y55-L67 HydrophobicContact CE2-CD2 4.08Å; Y55-L67 HydrophobicContact CG-CD1 3.91Å; A60-L67 HydrophobicContact CB-CD1 4.43Å; K63-L67 HydrophobicContact CB-CD1 3.55Å; K63-L67 HydrophobicContact CB-CG 3.81Å; K63-L67 WeakPolarHBondContact O-CG 3.4Å; K63-L67 PolarHBondContact O-N 2.73Å; K63-L67 VanDerWaalsContact O-N 3.14Å; R64-L67 VanDerWaalsContact O-O 3.07Å; L67-L69 HydrophobicContact CB-CD2 3.87Å; L67-L69 HydrophobicContact CD1-CD2 4.34Å
68T93.9Very high94.6Very high69 Ų6946 Ų4642%0.42325%0.252SS..EExtended strand (participates in β ladder)trans-88.8115.8158.8-62.40000107.4G38 R39 R41G38-T68 WeakPolarHBondContact CA-O 3.43Å; R39-T68 PolarHBondContact N-O 2.89Å; R39-T68 PolarHBondContact O-N 3.09Å; R41-T68 WeakPolarHBondContact CG-OG1 3.21Å
69L95.4Very high94.6Very high29 Ų2945.4 Ų45.415%0.15225%0.251CS..EExtended strand (participates in β ladder)trans-93.8137.4-179.2-57.2-177.5000110.5I36 G38 A60 R64 L67I36-L69 HydrophobicContact CD1-CD1 4.25Å; G38-L69 VanDerWaalsContact CA-CD2 3.5Å; A60-L69 HydrophobicContact CB-CD2 3.98Å; R64-L69 HydrophobicContact CB-CD1 3.8Å; R64-L69 HydrophobicContact CG-CD1 3.62Å; R64-L69 HydrophobicContact CG-CG 4.46Å; R64-L69 VanDerWaalsContact NE-CD1 3.34Å; R64-L69 VanDerWaalsContact NH2-CD1 3.26Å; L67-L69 HydrophobicContact CB-CD2 3.87Å; L67-L69 HydrophobicContact CD1-CD2 4.34Å
70K97Very high94.8Very high107 Ų10744.9 Ų44.947%0.46525%0.251SS..EExtended strand (participates in β ladder)trans-125.5151.9175.1-68.7-167.3174.8-1720110.3I36 V37I36-K70 WeakPolarHBondContact CA-O 3.43Å; V37-K70 PolarHBondContact N-O 3.2Å; V37-K70 PolarHBondContact O-N 2.94Å
71Y96.6Very high94.9Very high57 Ų5747.2 Ų47.222%0.22426%0.26CS..  trans-117.5105.4-178.7-62.1-99.3000107.3I36 R64 I73I36-Y71 HydrophobicContact CG2-CD1 3.47Å; I36-Y71 VanDerWaalsContact CG2-CD1 3.47Å; I36-Y71 HydrophobicContact CG2-CE1 3.27Å; I36-Y71 HydrophobicContact CG2-CG 4.2Å; R64-Y71 PolarHBondContact NH2-OH 3.14Å; R64-Y71 VanDerWaalsContact NH2-OH 3.14Å; Y71-I73 PolarHBondContact O-N 3.02Å
72P97.9Very high95.1Very high0 Ų050.2 Ų50.20%028%0.277CS..SBendtrans-74.8-8.9-176.327.2-32000114.1S35 I78 T79 N80 D83 M84 I87S35-P72 WeakPolarHBondContact O-CD 3.39Å; P72-I78 CarbonylContact O-C 3.53Å; P72-I78 WeakPolarHBondContact O-CA 3.36Å; P72-T79 PolarHBondContact O-N 2.91Å; P72-T79 PolarHBondContact O-OG1 3.32Å; P72-N80 HydrophobicContact CB-CB 4.07Å; P72-N80 WeakPolarHBondContact CB-O 3.37Å; P72-N80 PolarHBondContact O-N 3.06Å; P72-D83 HydrophobicContact CB-CB 3.82Å; P72-D83 HydrophobicContact CG-CB 4.21Å; P72-M84 HydrophobicContact CB-CB 4.48Å; P72-M84 HydrophobicContact CG-SD 4.39Å; P72-I87 HydrophobicContact CG-CD1 3.33Å; P72-I87 HydrophobicContact CG-CG1 4.44Å
73I97.8Very high95.3Very high2 Ų245.6 Ų45.61%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-117.8119.1176.6-52.6172.5000108.5N14 S16 Y71 I77 I78 M84N14-I73 HydrophobicContact CB-CD1 4.15Å; S16-I73 WeakPolarHBondContact OG-CG2 3.42Å; Y71-I73 PolarHBondContact O-N 3.02Å; I73-I77 CarbonylContact C-O 3.59Å; I73-I77 VanDerWaalsContact CA-O 3.32Å; I73-I77 WeakPolarHBondContact CA-O 3.44Å; I73-I78 HydrophobicContact CG1-CG1 3.99Å; I73-M84 HydrophobicContact CD1-CE 4.14Å; I73-M84 HydrophobicContact CD1-SD 3.83Å; I73-M84 HydrophobicContact CG1-SD 3.9Å
74E94.8Very high95.6Very high95 Ų9543.5 Ų43.544%0.44424%0.236SC..EExtended strand (participates in β ladder)trans-119.8127177.9-66.1177.3-155.100109.2G76 I77 T79E74-G76 PolarHBondContact O-N 2.81Å; E74-G76 VanDerWaalsContact O-N 3.15Å; E74-I77 PolarHBondContact N-O 3.27Å; E74-I77 PolarHBondContact O-N 2.98Å; E74-T79 HydrophobicContact CB-CG2 4.03Å; E74-T79 HydrophobicContact CG-CG2 4.36Å
75H94.1Very high95.9Very high70 Ų7044.9 Ų44.932%0.32424%0.243SC..THydrogen-bonded Turntrans47.643.3-177.7-47.5102.7000113.7I77 G160 V161H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 2.78Å; H75-G160 WeakPolarHBondContact CA-O 3.42Å; H75-G160 PolarHBondContact CD2-O 3.19Å; H75-V161 HydrophobicContact CB-CB 4.32Å
76G93.8Very high96.4Very high12 Ų1244.6 Ų44.612%0.12422%0.223CC..THydrogen-bonded Turntrans78.9-2.5-178.900000116S16 E74S16-G76 WeakPolarHBondContact OG-CA 3.48Å; S16-G76 PolarHBondContact OG-N 2.88Å; E74-G76 PolarHBondContact O-N 2.81Å; E74-G76 VanDerWaalsContact O-N 3.15Å
77I97Very high96.8Very high25 Ų2541.4 Ų41.413%0.12821%0.207CC..EExtended strand (participates in β ladder)trans-110.2131.6-176.5-55-55.4000110.5I73 E74 H75 T79 N117I73-I77 CarbonylContact C-O 3.59Å; I73-I77 VanDerWaalsContact CA-O 3.32Å; I73-I77 WeakPolarHBondContact CA-O 3.44Å; E74-I77 PolarHBondContact N-O 3.27Å; E74-I77 PolarHBondContact O-N 2.98Å; H75-I77 VanDerWaalsContact C-N 3.28Å; H75-I77 PolarHBondContact O-N 2.78Å; I77-T79 PolarHBondContact O-N 3.38Å; I77-N117 WeakPolarHBondContact CG2-ND2 3.42Å
78I98.2Very high97.1Very high13 Ų1341.4 Ų41.47%0.06721%0.207CC..EExtended strand (participates in β ladder)trans-68.1119.4171.2-61.6160.5000108.9P72 I73 W81 M84 W88 N117 M121P72-I78 CarbonylContact O-C 3.53Å; P72-I78 WeakPolarHBondContact O-CA 3.36Å; I73-I78 HydrophobicContact CG1-CG1 3.99Å; I78-W81 HydrophobicContact CB-CH2 4.05Å; I78-W81 HydrophobicContact CB-CZ2 4.14Å; I78-W81 HydrophobicContact CB-CZ3 4.32Å; I78-W81 HydrophobicContact CD1-CE3 4.5Å; I78-W81 HydrophobicContact CD1-CH2 3.79Å; I78-W81 HydrophobicContact CD1-CZ3 3.68Å; I78-W81 HydrophobicContact CG2-CD2 3.82Å; I78-W81 HydrophobicContact CG2-CE3 3.8Å; I78-W81 HydrophobicContact CG2-CG 4.46Å; I78-W81 HydrophobicContact CG2-CH2 4.06Å; I78-W81 HydrophobicContact CG2-CZ2 4.05Å; I78-W81 HydrophobicContact CG2-CZ3 3.95Å; I78-M84 HydrophobicContact CD1-CG 3.95Å; I78-M84 HydrophobicContact CD1-SD 4.36Å; I78-M84 HydrophobicContact CG1-CG 4.2Å; I78-M84 HydrophobicContact CG1-SD 4.21Å; I78-M84 HydrophobicContact CG2-CB 3.97Å; I78-M84 HydrophobicContact CG2-CG 4.2Å; I78-W88 HydrophobicContact CD1-CH2 4.17Å; I78-W88 HydrophobicContact CD1-CZ2 4.19Å; I78-N117 PolarHBondContact O-ND2 3.13Å; I78-M121 HydrophobicContact CD1-CG 4.12Å; I78-M121 HydrophobicContact CD1-SD 4.15Å
79T97.5Very high97.3Very high75 Ų7542.7 Ų42.746%0.4621%0.208SC..  trans-109.1-17.6178.258.40000112.6P72 E74 I77P72-T79 PolarHBondContact O-N 2.91Å; P72-T79 PolarHBondContact O-OG1 3.32Å; E74-T79 HydrophobicContact CB-CG2 4.03Å; E74-T79 HydrophobicContact CG-CG2 4.36Å; I77-T79 PolarHBondContact O-N 3.38Å
80N98.3Very high97.5Very high50 Ų5042.1 Ų42.127%0.26720%0.204SC..  trans-133.2103.4178-170.6-48.8000111.5P72 D82 D83 M84P72-N80 HydrophobicContact CB-CB 4.07Å; P72-N80 WeakPolarHBondContact CB-O 3.37Å; P72-N80 PolarHBondContact O-N 3.06Å; N80-D82 PolarHBondContact OD1-N 3.07Å; N80-D83 HydrophobicContact CB-CB 4.32Å; N80-D83 WeakPolarHBondContact OD1-CB 3.41Å; N80-D83 PolarHBondContact OD1-N 3.38Å; N80-M84 WeakPolarHBondContact O-CB 3.41Å; N80-M84 PolarHBondContact O-N 3.31Å
81W98.3Very high97.6Very high49 Ų4937 Ų3719%0.18618%0.182CC..Hα-helixtrans-70.3-40.8-177-66.2103.2000113.2I78 D83 M84 E85 W88 N117 K120 M121 I124I78-W81 HydrophobicContact CB-CH2 4.05Å; I78-W81 HydrophobicContact CB-CZ2 4.14Å; I78-W81 HydrophobicContact CB-CZ3 4.32Å; I78-W81 HydrophobicContact CD1-CE3 4.5Å; I78-W81 HydrophobicContact CD1-CH2 3.79Å; I78-W81 HydrophobicContact CD1-CZ3 3.68Å; I78-W81 HydrophobicContact CG2-CD2 3.82Å; I78-W81 HydrophobicContact CG2-CE3 3.8Å; I78-W81 HydrophobicContact CG2-CG 4.46Å; I78-W81 HydrophobicContact CG2-CH2 4.06Å; I78-W81 HydrophobicContact CG2-CZ2 4.05Å; I78-W81 HydrophobicContact CG2-CZ3 3.95Å; W81-D83 PolarHBondContact O-N 3.29Å; W81-M84 PolarHBondContact O-N 2.83Å; W81-M84 VanDerWaalsContact O-N 3.09Å; W81-E85 WeakPolarHBondContact O-CG 3.49Å; W81-E85 PolarHBondContact O-N 3.22Å; W81-W88 HydrophobicContact CZ3-CH2 4.08Å; W81-N117 HydrophobicContact CH2-CB 4.1Å; W81-N117 WeakPolarHBondContact CH2-O 3.48Å; W81-N117 HydrophobicContact CZ2-CB 3.86Å; W81-K120 HydrophobicContact CD2-CB 4.23Å; W81-K120 HydrophobicContact CD2-CG 3.39Å; W81-K120 VanDerWaalsContact CE2-CG 3.47Å; W81-K120 HydrophobicContact CE3-CB 4.3Å; W81-K120 HydrophobicContact CE3-CG 3.59Å; W81-K120 HydrophobicContact CG-CG 3.94Å; W81-K120 HydrophobicContact CH2-CB 3.73Å; W81-K120 HydrophobicContact CH2-CG 3.95Å; W81-K120 HydrophobicContact CZ2-CB 3.64Å; W81-K120 HydrophobicContact CZ2-CG 3.78Å; W81-K120 HydrophobicContact CZ3-CB 4.05Å; W81-K120 HydrophobicContact CZ3-CG 3.84Å; W81-M121 HydrophobicContact CH2-CG 3.78Å; W81-M121 HydrophobicContact CZ3-CG 3.82Å; W81-I124 HydrophobicContact CD2-CD1 4.33Å; W81-I124 HydrophobicContact CE3-CD1 3.5Å; W81-I124 HydrophobicContact CZ3-CD1 4.1Å
82D98.1Very high97.7Very high107 Ų10734.3 Ų34.357%0.57217%0.171SC*.Hα-helixtrans-60.6-34.8178.8-61.9-8.7000112.5N80 K86N80-D82 PolarHBondContact OD1-N 3.07Å; D82-K86 WeakPolarHBondContact O-CG 3.31Å; D82-K86 PolarHBondContact O-NZ 3.16Å
83D98.4Very high97.7Very high0 Ų038.7 Ų38.70%019%0.188CC..Hα-helixtrans-81.8-31.6176.8-76.8-4.9000111.5V37 R39 P72 N80 W81 K86 I87V37-D83 HydrophobicContact CB-CB 4.24Å; V37-D83 HydrophobicContact CG2-CB 3.78Å; R39-D83 IonicContact CZ-OD1 3.78Å; R39-D83 VanDerWaalsContact CZ-OD1 3.25Å; R39-D83 IonicContact CZ-OD2 3.39Å; R39-D83 IonicContact NH1-OD1 2.87Å; R39-D83 PolarHBondContact NH1-OD1 2.81Å; R39-D83 IonicContact NH1-OD2 3.25Å; R39-D83 PolarHBondContact NH1-OD2 2.94Å; R39-D83 IonicContact NH2-OD1 3.76Å; R39-D83 PolarHBondContact NH2-OD1 2.87Å; R39-D83 IonicContact NH2-OD2 2.77Å; P72-D83 HydrophobicContact CB-CB 3.82Å; P72-D83 HydrophobicContact CG-CB 4.21Å; N80-D83 HydrophobicContact CB-CB 4.32Å; N80-D83 WeakPolarHBondContact OD1-CB 3.41Å; N80-D83 PolarHBondContact OD1-N 3.38Å; W81-D83 PolarHBondContact O-N 3.29Å; D83-K86 PolarHBondContact O-N 3.09Å; D83-K86 IonicContact OD1-NZ 3.56Å; D83-K86 PolarHBondContact OD1-NZ 3.25Å; D83-I87 WeakPolarHBondContact O-CG1 3.34Å; D83-I87 PolarHBondContact O-N 3.05Å; D83-I87 VanDerWaalsContact O-N 3.07Å
84M98.4Very high97.7Very high0 Ų042.2 Ų42.20%021%0.207CC..Hα-helixtrans-66.5-40.6172.2-163.766.3-151.400112.5N14 P72 I73 I78 N80 W81 K86 I87 W88N14-M84 HydrophobicContact CB-CE 4.27Å; N14-M84 WeakPolarHBondContact OD1-CE 3.45Å; P72-M84 HydrophobicContact CB-CB 4.48Å; P72-M84 HydrophobicContact CG-SD 4.39Å; I73-M84 HydrophobicContact CD1-CE 4.14Å; I73-M84 HydrophobicContact CD1-SD 3.83Å; I73-M84 HydrophobicContact CG1-SD 3.9Å; I78-M84 HydrophobicContact CD1-CG 3.95Å; I78-M84 HydrophobicContact CD1-SD 4.36Å; I78-M84 HydrophobicContact CG1-CG 4.2Å; I78-M84 HydrophobicContact CG1-SD 4.21Å; I78-M84 HydrophobicContact CG2-CB 3.97Å; I78-M84 HydrophobicContact CG2-CG 4.2Å; N80-M84 WeakPolarHBondContact O-CB 3.41Å; N80-M84 PolarHBondContact O-N 3.31Å; W81-M84 PolarHBondContact O-N 2.83Å; W81-M84 VanDerWaalsContact O-N 3.09Å; M84-K86 VanDerWaalsContact C-N 3.29Å; M84-K86 PolarHBondContact O-N 2.82Å; M84-I87 HydrophobicContact CE-CB 4.42Å; M84-I87 HydrophobicContact CE-CG2 3.94Å; M84-I87 WeakPolarHBondContact O-CA 3.11Å; M84-I87 WeakPolarHBondContact O-CB 3.18Å; M84-I87 PolarHBondContact O-N 2.86Å; M84-I87 HydrophobicContact SD-CD1 4.48Å; M84-W88 HydrophobicContact CE-CD2 4.09Å; M84-W88 HydrophobicContact CE-CG 4.31Å; M84-W88 HydrophobicContact CE-CZ2 3.76Å; M84-W88 HydrophobicContact CG-CD2 4.06Å; M84-W88 HydrophobicContact CG-CE3 4.08Å; M84-W88 HydrophobicContact CG-CH2 3.78Å; M84-W88 HydrophobicContact CG-CZ2 3.73Å; M84-W88 HydrophobicContact CG-CZ3 3.95Å; M84-W88 PolarHBondContact O-N 2.54Å
85E98.4Very high97.8Very high50 Ų5041 Ų4123%0.23420%0.202CC..Hα-helixtrans-59-40.5173.9-76.5-177.2-13500111.7W81 I87 W88 H89 I124W81-E85 WeakPolarHBondContact O-CG 3.49Å; W81-E85 PolarHBondContact O-N 3.22Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 2.81Å; E85-W88 PolarHBondContact O-N 3.25Å; E85-H89 WeakPolarHBondContact O-CB 3.38Å; E85-H89 PolarHBondContact O-N 3.49Å; E85-I124 HydrophobicContact CG-CD1 3.82Å; E85-I124 HydrophobicContact CG-CG1 4.2Å; E85-I124 HydrophobicContact CG-CG2 3.76Å
86K98.3Very high98Very high60 Ų6038.4 Ų38.426%0.26119%0.19SC..Hα-helixtrans-64.4-38.5173.5-68.2178.2-165.478.20112.2V37 S54 V56 D82 D83 M84 H90V37-K86 HydrophobicContact CG1-CD 4.18Å; V37-K86 HydrophobicContact CG2-CB 4.49Å; S54-K86 WeakPolarHBondContact OG-CD 3.45Å; V56-K86 HydrophobicContact CG2-CB 4.24Å; D82-K86 WeakPolarHBondContact O-CG 3.31Å; D82-K86 PolarHBondContact O-NZ 3.16Å; D83-K86 PolarHBondContact O-N 3.09Å; D83-K86 IonicContact OD1-NZ 3.56Å; D83-K86 PolarHBondContact OD1-NZ 3.25Å; M84-K86 VanDerWaalsContact C-N 3.29Å; M84-K86 PolarHBondContact O-N 2.82Å; K86-H90 WeakPolarHBondContact O-CB 3.44Å; K86-H90 PolarHBondContact O-N 3.35Å
87I98.6Very high98.2Very high0 Ų047.8 Ų47.80%022%0.222CC..Hα-helixtrans-62.4-48.7175-74.5-179.8000110.4V19 F33 V37 V56 P72 D83 M84 E85 H90 T91V19-I87 HydrophobicContact CG2-CG2 3.67Å; F33-I87 HydrophobicContact CE2-CG2 4.16Å; F33-I87 HydrophobicContact CZ-CG2 4.24Å; V37-I87 HydrophobicContact CG2-CD1 4.34Å; V37-I87 HydrophobicContact CG2-CG1 3.96Å; V56-I87 HydrophobicContact CG1-CG1 3.88Å; P72-I87 HydrophobicContact CG-CD1 3.33Å; P72-I87 HydrophobicContact CG-CG1 4.44Å; D83-I87 WeakPolarHBondContact O-CG1 3.34Å; D83-I87 PolarHBondContact O-N 3.05Å; D83-I87 VanDerWaalsContact O-N 3.07Å; M84-I87 HydrophobicContact CE-CB 4.42Å; M84-I87 HydrophobicContact CE-CG2 3.94Å; M84-I87 WeakPolarHBondContact O-CA 3.11Å; M84-I87 WeakPolarHBondContact O-CB 3.18Å; M84-I87 PolarHBondContact O-N 2.86Å; M84-I87 HydrophobicContact SD-CD1 4.48Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 2.81Å; I87-H90 WeakPolarHBondContact O-CB 3.38Å; I87-H90 PolarHBondContact O-N 2.84Å; I87-T91 PolarHBondContact O-N 2.87Å; I87-T91 PolarHBondContact O-OG1 3.3Å
88W98.7Very high98.2Very high0 Ų047.7 Ų47.70%022%0.222CC..Hα-helixtrans-65.2-40.6178.3-70.5-38000112.9N14 I78 W81 M84 E85 H90 T91 F92 L107 M121 I124 M125 F129N14-W88 PolarHBondContact OD1-NE1 3.3Å; I78-W88 HydrophobicContact CD1-CH2 4.17Å; I78-W88 HydrophobicContact CD1-CZ2 4.19Å; W81-W88 HydrophobicContact CZ3-CH2 4.08Å; M84-W88 HydrophobicContact CE-CD2 4.09Å; M84-W88 HydrophobicContact CE-CG 4.31Å; M84-W88 HydrophobicContact CE-CZ2 3.76Å; M84-W88 HydrophobicContact CG-CD2 4.06Å; M84-W88 HydrophobicContact CG-CE3 4.08Å; M84-W88 HydrophobicContact CG-CH2 3.78Å; M84-W88 HydrophobicContact CG-CZ2 3.73Å; M84-W88 HydrophobicContact CG-CZ3 3.95Å; M84-W88 PolarHBondContact O-N 2.54Å; E85-W88 PolarHBondContact O-N 3.25Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-H90 PolarHBondContact O-N 3.13Å; W88-T91 WeakPolarHBondContact O-CB 3.09Å; W88-T91 PolarHBondContact O-N 3.43Å; W88-T91 VanDerWaalsContact O-N 3.14Å; W88-F92 HydrophobicContact CB-CD2 4.47Å; W88-F92 HydrophobicContact CB-CE2 4.03Å; W88-F92 WeakPolarHBondContact O-CD2 3.33Å; W88-F92 WeakPolarHBondContact O-CG 3.36Å; W88-F92 PolarHBondContact O-N 2.92Å; W88-L107 HydrophobicContact CZ2-CD1 4.3Å; W88-L107 HydrophobicContact CZ2-CD2 4.33Å; W88-M121 HydrophobicContact CH2-CB 4.42Å; W88-M121 HydrophobicContact CH2-CG 4.01Å; W88-M121 HydrophobicContact CZ2-CG 4.48Å; W88-I124 HydrophobicContact CE3-CG2 3.79Å; W88-I124 HydrophobicContact CZ3-CB 4.12Å; W88-I124 HydrophobicContact CZ3-CD1 3.91Å; W88-I124 HydrophobicContact CZ3-CG2 3.68Å; W88-M125 HydrophobicContact CB-CE 4.24Å; W88-M125 HydrophobicContact CD2-CE 3.36Å; W88-M125 HydrophobicContact CE3-CE 3.64Å; W88-M125 HydrophobicContact CG-CE 3.67Å; W88-M125 HydrophobicContact CH2-CE 4.31Å; W88-M125 HydrophobicContact CZ2-CE 4.1Å; W88-M125 HydrophobicContact CZ3-CE 4.1Å; W88-F129 HydrophobicContact CB-CE2 3.68Å; W88-F129 HydrophobicContact CB-CZ 3.64Å; W88-F129 HydrophobicContact CE3-CE2 4.08Å
89H98.4Very high98.2Very high96 Ų9648.2 Ų48.244%0.44423%0.228SC..Hα-helixtrans-57.3-44.2172.1-176.4-65.1000111E85 F92 Y93 F129E85-H89 WeakPolarHBondContact O-CB 3.38Å; E85-H89 PolarHBondContact O-N 3.49Å; H89-F92 PolarHBondContact O-N 2.94Å; H89-Y93 HydrophobicContact CB-CD2 4.44Å; H89-Y93 AromaticContact CD2-CD2 3.62Å; H89-Y93 AromaticContact CD2-CE2 3.68Å; H89-Y93 AromaticContact CE1-CD2 3.46Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.46Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.45Å; H89-Y93 AromaticContact CG-CD2 3.66Å; H89-Y93 AromaticContact ND1-CD2 3.57Å; H89-Y93 AromaticContact NE2-CD2 3.53Å; H89-Y93 AromaticContact NE2-CE2 3.78Å; H89-Y93 WeakPolarHBondContact O-CB 3.46Å; H89-Y93 VanDerWaalsContact O-CD2 3.29Å; H89-Y93 WeakPolarHBondContact O-CD2 3.49Å; H89-Y93 PolarHBondContact O-N 2.91Å; H89-F129 HydrophobicContact CB-CE1 4.05Å; H89-F129 HydrophobicContact CB-CZ 4.2Å
90H98.4Very high98.2Very high17 Ų1744.6 Ų44.68%0.07921%0.206CC..Hα-helixtrans-62.7-43.9175-177.269000112.1F33 V56 K86 I87 W88 F92 N94 E95F33-H90 AromaticContact CE2-CD2 3.72Å; F33-H90 AromaticContact CZ-CD2 3.94Å; V56-H90 HydrophobicContact CB-CB 3.94Å; V56-H90 HydrophobicContact CG1-CB 3.69Å; V56-H90 HydrophobicContact CG2-CB 4.27Å; K86-H90 WeakPolarHBondContact O-CB 3.44Å; K86-H90 PolarHBondContact O-N 3.35Å; I87-H90 WeakPolarHBondContact O-CB 3.38Å; I87-H90 PolarHBondContact O-N 2.84Å; W88-H90 VanDerWaalsContact C-N 3.28Å; W88-H90 PolarHBondContact O-N 3.13Å; H90-F92 PolarHBondContact O-N 2.98Å; H90-N94 WeakPolarHBondContact ND1-CB 3.41Å; H90-N94 PolarHBondContact ND1-OD1 2.88Å; H90-N94 WeakPolarHBondContact O-CA 3.3Å; H90-N94 VanDerWaalsContact O-CB 3.3Å; H90-N94 WeakPolarHBondContact O-CB 3.44Å; H90-N94 PolarHBondContact O-N 3.4Å; H90-E95 IonicContact CE1-OE1 3.24Å; H90-E95 IonicContact NE2-OE1 2.89Å; H90-E95 PolarHBondContact NE2-OE1 3.13Å; H90-E95 PolarHBondContact O-N 3.09Å
91T98.7Very high98.2Very high0 Ų046.8 Ų46.80%022%0.215CC..Iπ-helixtrans-53.9-52.8174.8-55.90000111.5A21 F33 I87 W88 E95 L96A21-T91 HydrophobicContact CB-CG2 3.33Å; F33-T91 VanDerWaalsContact CZ-OG1 3.31Å; F33-T91 WeakPolarHBondContact CZ-OG1 3.33Å; I87-T91 PolarHBondContact O-N 2.87Å; I87-T91 PolarHBondContact O-OG1 3.3Å; W88-T91 WeakPolarHBondContact O-CB 3.09Å; W88-T91 PolarHBondContact O-N 3.43Å; W88-T91 VanDerWaalsContact O-N 3.14Å; T91-E95 WeakPolarHBondContact O-CB 3.49Å; T91-L96 HydrophobicContact CG2-CD1 4.18Å; T91-L96 HydrophobicContact CG2-CG 4.46Å; T91-L96 WeakPolarHBondContact O-CB 3.43Å; T91-L96 WeakPolarHBondContact O-CG 3.47Å; T91-L96 PolarHBondContact O-N 3.22Å
92F98.7Very high98.2Very high0 Ų050 Ų500%023%0.232CC..Iπ-helixtrans-72.8-51.2-174.5-59.6-48.7000112.2L10 W88 H89 H90 L96 R97 V98 P100 T105 M125 F129L10-F92 HydrophobicContact CD1-CD1 3.79Å; L10-F92 HydrophobicContact CD1-CE1 3.81Å; W88-F92 HydrophobicContact CB-CD2 4.47Å; W88-F92 HydrophobicContact CB-CE2 4.03Å; W88-F92 WeakPolarHBondContact O-CD2 3.33Å; W88-F92 WeakPolarHBondContact O-CG 3.36Å; W88-F92 PolarHBondContact O-N 2.92Å; H89-F92 PolarHBondContact O-N 2.94Å; H90-F92 PolarHBondContact O-N 2.98Å; F92-L96 CarbonylContact O-C 3.59Å; F92-R97 WeakPolarHBondContact O-CA 3.43Å; F92-R97 PolarHBondContact O-N 3.46Å; F92-V98 PolarHBondContact O-N 3.34Å; F92-P100 HydrophobicContact CB-CB 4.38Å; F92-P100 HydrophobicContact CB-CG 4.26Å; F92-P100 HydrophobicContact CD1-CB 4.22Å; F92-P100 HydrophobicContact CD2-CB 3.8Å; F92-P100 HydrophobicContact CD2-CG 3.95Å; F92-P100 HydrophobicContact CE1-CB 4.47Å; F92-P100 HydrophobicContact CE2-CB 4.06Å; F92-P100 HydrophobicContact CG-CB 3.89Å; F92-P100 HydrophobicContact CG-CG 4.17Å; F92-P100 HydrophobicContact CZ-CB 4.4Å; F92-T105 HydrophobicContact CE1-CG2 4.3Å; F92-T105 HydrophobicContact CZ-CG2 4.15Å; F92-M125 HydrophobicContact CE2-CE 4.19Å; F92-M125 HydrophobicContact CE2-SD 4.26Å; F92-M125 HydrophobicContact CZ-CE 4.1Å; F92-M125 HydrophobicContact CZ-SD 4.07Å; F92-F129 AromaticContact CD2-CD1 3.74Å; F92-F129 HydrophobicContact CD2-CD1 3.74Å; F92-F129 AromaticContact CD2-CE1 3.88Å; F92-F129 HydrophobicContact CD2-CE1 3.88Å; F92-F129 HydrophobicContact CD2-CG 4.18Å; F92-F129 HydrophobicContact CD2-CZ 4.43Å; F92-F129 HydrophobicContact CE2-CB 4.4Å; F92-F129 AromaticContact CE2-CD1 3.91Å; F92-F129 HydrophobicContact CE2-CD1 3.91Å; F92-F129 HydrophobicContact CE2-CD2 4.09Å; F92-F129 HydrophobicContact CE2-CE1 4.19Å; F92-F129 HydrophobicContact CE2-CE2 4.36Å; F92-F129 AromaticContact CE2-CG 3.86Å; F92-F129 HydrophobicContact CE2-CG 3.86Å; F92-F129 HydrophobicContact CE2-CZ 4.41Å
93Y98.2Very high98.1Very high91 Ų9146 Ų4636%0.35721%0.21SC..Iπ-helixtrans-92.2-26.8-167.5-61.3-71.3000114.4H89 V98 P100 F129H89-Y93 HydrophobicContact CB-CD2 4.44Å; H89-Y93 AromaticContact CD2-CD2 3.62Å; H89-Y93 AromaticContact CD2-CE2 3.68Å; H89-Y93 AromaticContact CE1-CD2 3.46Å; H89-Y93 VanDerWaalsContact CE1-CD2 3.46Å; H89-Y93 WeakPolarHBondContact CE1-CD2 3.45Å; H89-Y93 AromaticContact CG-CD2 3.66Å; H89-Y93 AromaticContact ND1-CD2 3.57Å; H89-Y93 AromaticContact NE2-CD2 3.53Å; H89-Y93 AromaticContact NE2-CE2 3.78Å; H89-Y93 WeakPolarHBondContact O-CB 3.46Å; H89-Y93 VanDerWaalsContact O-CD2 3.29Å; H89-Y93 WeakPolarHBondContact O-CD2 3.49Å; H89-Y93 PolarHBondContact O-N 2.91Å; Y93-V98 WeakPolarHBondContact CD1-O 3.08Å; Y93-P100 HydrophobicContact CE2-CG 4.37Å; Y93-P100 VanDerWaalsContact CZ-CD 3.48Å; Y93-P100 WeakPolarHBondContact OH-CD 3.39Å; Y93-P100 WeakPolarHBondContact OH-CG 3.31Å; Y93-F129 HydrophobicContact CE2-CE1 4.42Å
94N97.5Very high98.1Very high76 Ų7646.8 Ų46.841%0.40622%0.215SC..Iπ-helixtrans-100-49.2-178.7-63.9102.8000112.5H90 R97H90-N94 WeakPolarHBondContact ND1-CB 3.41Å; H90-N94 PolarHBondContact ND1-OD1 2.88Å; H90-N94 WeakPolarHBondContact O-CA 3.3Å; H90-N94 VanDerWaalsContact O-CB 3.3Å; H90-N94 WeakPolarHBondContact O-CB 3.44Å; H90-N94 PolarHBondContact O-N 3.4Å; N94-R97 WeakPolarHBondContact O-CG 3.33Å; N94-R97 PolarHBondContact O-NE 3.34Å
95E98.3Very high98.1Very high70 Ų7046.8 Ų46.833%0.32722%0.215SC..Iπ-helixtrans-81.2-56.5-174.2-64.8-59.7127.900111.3A31 F33 H90 T91A31-E95 HydrophobicContact CB-CB 3.66Å; A31-E95 HydrophobicContact CB-CG 4.25Å; F33-E95 HydrophobicContact CD1-CG 3.77Å; F33-E95 HydrophobicContact CE1-CB 4.48Å; F33-E95 HydrophobicContact CE1-CG 3.79Å; H90-E95 IonicContact CE1-OE1 3.24Å; H90-E95 IonicContact NE2-OE1 2.89Å; H90-E95 PolarHBondContact NE2-OE1 3.13Å; H90-E95 PolarHBondContact O-N 3.09Å; T91-E95 WeakPolarHBondContact O-CB 3.49Å
96L98Very high98.1Very high16 Ų1644.4 Ų44.48%0.08420%0.204CC..Iπ-helixtrans-83.4-26.4179.4-62.2-178.3000113.3L10 A21 F23 R30 T91 F92 V98L10-L96 HydrophobicContact CD1-CD1 4.15Å; L10-L96 HydrophobicContact CD2-CD1 4.02Å; A21-L96 HydrophobicContact CB-CD1 4.08Å; A21-L96 HydrophobicContact CB-CD2 4.32Å; A21-L96 HydrophobicContact CB-CG 4.33Å; F23-L96 HydrophobicContact CE2-CD2 4.42Å; R30-L96 HydrophobicContact CB-CD2 3.95Å; T91-L96 HydrophobicContact CG2-CD1 4.18Å; T91-L96 HydrophobicContact CG2-CG 4.46Å; T91-L96 WeakPolarHBondContact O-CB 3.43Å; T91-L96 WeakPolarHBondContact O-CG 3.47Å; T91-L96 PolarHBondContact O-N 3.22Å; F92-L96 CarbonylContact O-C 3.59Å; L96-V98 HydrophobicContact CB-CG2 3.9Å
97R98.1Very high98.2Very high209 Ų20941.5 Ų41.579%0.78919%0.191SC*.  trans56.747.2-178.8-53.3-179.6-175.3179.32.4113F92 N94F92-R97 WeakPolarHBondContact O-CA 3.43Å; F92-R97 PolarHBondContact O-N 3.46Å; N94-R97 WeakPolarHBondContact O-CG 3.33Å; N94-R97 PolarHBondContact O-NE 3.34Å
98V97.8Very high98.1Very high23 Ų2341.6 Ų41.614%0.13919%0.192CC..  trans-124.4160.8179.1-64.50000111.6L10 F23 F92 Y93 L96L10-V98 HydrophobicContact CD1-CG2 3.83Å; F23-V98 HydrophobicContact CE1-CG1 4.21Å; F23-V98 HydrophobicContact CZ-CG1 3.6Å; F92-V98 PolarHBondContact O-N 3.34Å; Y93-V98 WeakPolarHBondContact CD1-O 3.08Å; L96-V98 HydrophobicContact CB-CG2 3.9Å
99A97.7Very high98.1Very high23 Ų2342.2 Ų42.219%0.1920%0.195CC..  trans-88.2111.3168.300000108.8E101 E102 H103A99-E101 HydrophobicContact CB-CG 4.21Å; A99-E101 PolarHBondContact O-N 3.11Å; A99-E101 VanDerWaalsContact O-N 3.16Å; A99-E102 HydrophobicContact CB-CG 4.13Å; A99-E102 WeakPolarHBondContact O-CB 3.42Å; A99-E102 PolarHBondContact O-N 3.14Å; A99-H103 PolarHBondContact O-CD2 3.03Å
100P97.8Very high97.9Very high0 Ų037.8 Ų37.80%018%0.175CC..G310 helixtrans-60-25.6-176.423.8-33.1000113.7F92 Y93 E102 H103 F129 V131F92-P100 HydrophobicContact CB-CB 4.38Å; F92-P100 HydrophobicContact CB-CG 4.26Å; F92-P100 HydrophobicContact CD1-CB 4.22Å; F92-P100 HydrophobicContact CD2-CB 3.8Å; F92-P100 HydrophobicContact CD2-CG 3.95Å; F92-P100 HydrophobicContact CE1-CB 4.47Å; F92-P100 HydrophobicContact CE2-CB 4.06Å; F92-P100 HydrophobicContact CG-CB 3.89Å; F92-P100 HydrophobicContact CG-CG 4.17Å; F92-P100 HydrophobicContact CZ-CB 4.4Å; Y93-P100 HydrophobicContact CE2-CG 4.37Å; Y93-P100 VanDerWaalsContact CZ-CD 3.48Å; Y93-P100 WeakPolarHBondContact OH-CD 3.39Å; Y93-P100 WeakPolarHBondContact OH-CG 3.31Å; P100-E102 PolarHBondContact O-N 3.23Å; P100-E102 VanDerWaalsContact O-N 3.17Å; P100-H103 PolarHBondContact O-N 2.83Å; P100-H103 VanDerWaalsContact O-N 3.12Å; P100-F129 HydrophobicContact CB-CB 4.14Å; P100-F129 HydrophobicContact CG-CB 4.04Å; P100-F129 HydrophobicContact CG-CD1 3.97Å; P100-F129 HydrophobicContact CG-CG 4.44Å; P100-V131 HydrophobicContact CB-CG1 4.16Å
101E97.8Very high97.8Very high95 Ų9537 Ų3744%0.44417%0.171SC..G310 helixtrans-63.6-13.9174.160.7-94.7-137.500114.3A99 N130 P132A99-E101 HydrophobicContact CB-CG 4.21Å; A99-E101 PolarHBondContact O-N 3.11Å; A99-E101 VanDerWaalsContact O-N 3.16Å; E101-N130 WeakPolarHBondContact CA-O 3.44Å; E101-N130 HydrophobicContact CB-CB 4.17Å; E101-P132 WeakPolarHBondContact O-CD 3.37Å
102E97.3Very high97.5Very high117 Ų11741.8 Ų41.855%0.54720%0.196SC..G310 helixtrans-95-7.9176.8-61.9179.9176.100112.8T7 A99 P100T7-E102 WeakPolarHBondContact CB-O 3.32Å; T7-E102 VanDerWaalsContact CG2-O 3.31Å; T7-E102 WeakPolarHBondContact CG2-O 3.39Å; T7-E102 PolarHBondContact OG1-O 3.17Å; A99-E102 HydrophobicContact CB-CG 4.13Å; A99-E102 WeakPolarHBondContact O-CB 3.42Å; A99-E102 PolarHBondContact O-N 3.14Å; P100-E102 PolarHBondContact O-N 3.23Å; P100-E102 VanDerWaalsContact O-N 3.17Å
103H97.6Very high97.4Very high22 Ų2242.8 Ų42.810%0.10220%0.201CC..SBendtrans-132.4125-169-62.8-82.9000114.1T8 L10 F23 A99 P100 T105 P132T8-H103 PolarHBondContact O-ND1 3.39Å; L10-H103 HydrophobicContact CD1-CB 3.87Å; L10-H103 HydrophobicContact CG-CB 3.73Å; F23-H103 AromaticContact CE1-CE1 3.88Å; A99-H103 PolarHBondContact O-CD2 3.03Å; P100-H103 PolarHBondContact O-N 2.83Å; P100-H103 VanDerWaalsContact O-N 3.12Å; H103-T105 PolarHBondContact O-N 3.32Å; H103-T105 PolarHBondContact O-OG1 3.49Å; H103-P132 WeakPolarHBondContact O-CD 3.31Å
104P97.9Very high97.3Very high17 Ų1741.2 Ų41.211%0.1120%0.202CC..  trans-53.5139.3163.9-24.234.5000110.6A9 L10 P132 A133 W358A9-P104 CarbonylContact C-O 3.52Å; A9-P104 WeakPolarHBondContact CA-O 3.35Å; A9-P104 HydrophobicContact CB-CB 4.05Å; L10-P104 PolarHBondContact N-O 2.84Å; P104-P132 HydrophobicContact CG-CG 4.33Å; P104-A133 CarbonylContact C-O 3.25Å; P104-A133 VanDerWaalsContact CA-O 3.26Å; P104-A133 WeakPolarHBondContact CA-O 3.09Å; P104-A133 HydrophobicContact CB-CB 4.15Å; P104-A133 HydrophobicContact CG-CB 4.48Å; P104-W358 HydrophobicContact CB-CD2 4.42Å; P104-W358 HydrophobicContact CB-CE3 4.47Å; P104-W358 HydrophobicContact CB-CH2 4.17Å; P104-W358 HydrophobicContact CB-CZ2 4.1Å; P104-W358 HydrophobicContact CB-CZ3 4.36Å
105T98.6Very high97.3Very high0 Ų044.6 Ų44.60%021%0.214CC..EExtended strand (participates in β ladder)trans-126.5119-174.6-63.60000112.3F92 H103 L107 M125 A133 M134 Y135F92-T105 HydrophobicContact CE1-CG2 4.3Å; F92-T105 HydrophobicContact CZ-CG2 4.15Å; H103-T105 PolarHBondContact O-N 3.32Å; H103-T105 PolarHBondContact O-OG1 3.49Å; T105-L107 HydrophobicContact CG2-CD2 4.32Å; T105-L107 HydrophobicContact CG2-CG 4.38Å; T105-M125 HydrophobicContact CG2-SD 4.33Å; T105-A133 PolarHBondContact N-O 3.27Å; T105-M134 WeakPolarHBondContact O-CA 3.32Å; T105-M134 VanDerWaalsContact O-CB 3.26Å; T105-M134 WeakPolarHBondContact O-CB 3.37Å; T105-Y135 PolarHBondContact O-N 2.78Å; T105-Y135 VanDerWaalsContact O-N 3.1Å
106L98.6Very high97.3Very high0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-90.1121.6169.2-172.8151.1000109.7L10 V11 C12 T108 Y135 A137 L142 L348 A349 F354 W358L10-L106 PolarHBondContact O-N 3.13Å; V11-L106 HydrophobicContact CG1-CD2 4.15Å; V11-L106 HydrophobicContact CG2-CB 4.47Å; C12-L106 PolarHBondContact N-O 2.8Å; L106-T108 HydrophobicContact CD2-CG2 4.2Å; L106-Y135 WeakPolarHBondContact CA-O 3.38Å; L106-Y135 HydrophobicContact CD1-CD1 4.38Å; L106-A137 HydrophobicContact CD2-CB 4.35Å; L106-L142 HydrophobicContact CD2-CD1 4.07Å; L106-L348 HydrophobicContact CD1-CD2 4.16Å; L106-A349 HydrophobicContact CD1-CB 4.37Å; L106-F354 HydrophobicContact CD1-CE1 4.33Å; L106-F354 HydrophobicContact CD1-CZ 4.16Å; L106-W358 HydrophobicContact CB-CH2 3.85Å; L106-W358 HydrophobicContact CB-CZ3 4.14Å
107L98.6Very high97.3Very high0 Ų044.7 Ų44.70%023%0.225CC..EExtended strand (participates in β ladder)trans-102.8147.7171.1-65.7170.6000110.5C12 N14 W88 T105 M121 M125 M134 Y135 V136 A137C12-L107 HydrophobicContact CB-CD2 3.73Å; N14-L107 WeakPolarHBondContact ND2-CD2 3.49Å; W88-L107 HydrophobicContact CZ2-CD1 4.3Å; W88-L107 HydrophobicContact CZ2-CD2 4.33Å; T105-L107 HydrophobicContact CG2-CD2 4.32Å; T105-L107 HydrophobicContact CG2-CG 4.38Å; L107-M121 HydrophobicContact CD1-CB 4.21Å; L107-M125 HydrophobicContact CD1-CE 3.8Å; L107-M125 HydrophobicContact CD1-CG 3.65Å; L107-M125 HydrophobicContact CD1-SD 4.23Å; L107-M125 HydrophobicContact CD2-CE 3.79Å; L107-M125 HydrophobicContact CG-CE 4.27Å; L107-M134 HydrophobicContact CD1-CE 4.11Å; L107-Y135 PolarHBondContact N-O 3.18Å; L107-V136 CarbonylContact O-C 3.51Å; L107-V136 VanDerWaalsContact O-CA 3.31Å; L107-V136 WeakPolarHBondContact O-CA 3.4Å; L107-A137 PolarHBondContact O-N 3.02Å
108T98.1Very high97.3Very high2 Ų236 Ų361%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-100.5150.9172.774.40000111.8C12 D13 N14 L106 A137 Q139 L142 V341C12-T108 PolarHBondContact O-N 2.96Å; C12-T108 VanDerWaalsContact O-N 3.16Å; D13-T108 VanDerWaalsContact CA-OG1 3.27Å; D13-T108 WeakPolarHBondContact CA-OG1 3.46Å; D13-T108 HydrophobicContact CB-CG2 4.03Å; D13-T108 PolarHBondContact OD1-OG1 3.24Å; D13-T108 VanDerWaalsContact OD1-OG1 3.09Å; N14-T108 PolarHBondContact N-OG1 3.06Å; N14-T108 PolarHBondContact ND2-O 3.09Å; L106-T108 HydrophobicContact CD2-CG2 4.2Å; T108-A137 CarbonylContact C-O 3.45Å; T108-A137 VanDerWaalsContact CA-O 3.27Å; T108-A137 WeakPolarHBondContact CA-O 3.47Å; T108-Q139 PolarHBondContact OG1-NE2 2.89Å; T108-L142 HydrophobicContact CG2-CD1 3.62Å; T108-V341 HydrophobicContact CG2-CG1 3.78Å
109E97.2Very high97.3Very high12 Ų1238.2 Ų38.26%0.05620%0.201CC..EExtended strand (participates in β ladder)trans-133.8150.5172.768.3-176.8174.100112.4N113 R118 M121 V136 A137 I138 Q139E109-N113 HydrophobicContact CB-CB 4.21Å; E109-N113 HydrophobicContact CG-CB 4.37Å; E109-N113 WeakPolarHBondContact OE2-CB 3.45Å; E109-N113 PolarHBondContact OE2-ND2 3.08Å; E109-R118 IonicContact OE1-CZ 3.36Å; E109-R118 VanDerWaalsContact OE1-CZ 3.24Å; E109-R118 IonicContact OE1-NE 2.84Å; E109-R118 PolarHBondContact OE1-NE 3.32Å; E109-R118 IonicContact OE1-NH2 3.82Å; E109-R118 PolarHBondContact OE1-NH2 2.84Å; E109-R118 WeakPolarHBondContact OE2-CG 3.42Å; E109-R118 IonicContact OE2-NE 3.39Å; E109-R118 PolarHBondContact OE2-NE 3.39Å; E109-M121 HydrophobicContact CB-CE 4.44Å; E109-V136 HydrophobicContact CB-CG1 3.92Å; E109-V136 HydrophobicContact CG-CG1 3.66Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.39Å; E109-A137 PolarHBondContact N-O 3.45Å; E109-I138 HydrophobicContact CG-CG1 4.41Å; E109-I138 WeakPolarHBondContact O-CA 3.35Å; E109-Q139 WeakPolarHBondContact O-CG 3.26Å; E109-Q139 PolarHBondContact O-N 3.42Å
110A95.6Very high97.4Very high3 Ų340 Ų403%0.02521%0.205CC..  trans-65151.3166.500000110.1N113A110-N113 WeakPolarHBondContact O-CB 3.34Å; A110-N113 PolarHBondContact O-N 3.04Å
111P95.2Very high97.4Very high1 Ų140.2 Ų40.21%0.00621%0.206CC..THydrogen-bonded Turntrans-58.515117228-36.9000111.2N113 I138 H163 V165 I177P111-N113 PolarHBondContact O-N 2.85Å; P111-I138 HydrophobicContact CB-CG2 4.21Å; P111-H163 HydrophobicContact CG-CB 3.92Å; P111-H163 VanDerWaalsContact CG-CD2 3.45Å; P111-H163 WeakPolarHBondContact CG-CD2 3.38Å; P111-H163 VanDerWaalsContact CG-CG 3.48Å; P111-V165 HydrophobicContact CB-CG2 4.08Å; P111-V165 HydrophobicContact CG-CG2 3.76Å; P111-I177 HydrophobicContact CB-CD1 3.75Å; P111-I177 HydrophobicContact CB-CG2 4.16Å; P111-I177 HydrophobicContact CG-CG2 4.27Å
112L93.5Very high97.4Very high101 Ų10135.7 Ų35.753%0.52919%0.185SC..THydrogen-bonded Turntrans62.524.6-179.5-47.3175.1000114.3I177L112-I177 HydrophobicContact CD1-CB 4.45Å; L112-I177 HydrophobicContact CD1-CG2 4.13Å; L112-I177 HydrophobicContact CD2-CD1 4.22Å; L112-I177 HydrophobicContact CG-CD1 4.4Å; L112-I177 HydrophobicContact CG-CG2 4.37Å
113N95.9Very high97.5Very high20 Ų2032.9 Ų32.911%0.10717%0.172CC..  trans-57131.5173.9-168.123000111E109 A110 P111 K115 N117 M121E109-N113 HydrophobicContact CB-CB 4.21Å; E109-N113 HydrophobicContact CG-CB 4.37Å; E109-N113 WeakPolarHBondContact OE2-CB 3.45Å; E109-N113 PolarHBondContact OE2-ND2 3.08Å; A110-N113 WeakPolarHBondContact O-CB 3.34Å; A110-N113 PolarHBondContact O-N 3.04Å; P111-N113 PolarHBondContact O-N 2.85Å; N113-K115 PolarHBondContact O-N 3.12Å; N113-N117 WeakPolarHBondContact OD1-CB 3.33Å; N113-M121 VanDerWaalsContact ND2-CE 3.32Å; N113-M121 WeakPolarHBondContact ND2-CE 3.37Å
114P96.8Very high97.5Very high58 Ų5832 Ų3238%0.37717%0.167SC..  trans-54.6138.3179-29.336.2000112.5A116 N117 R118P114-A116 PolarHBondContact O-N 2.8Å; P114-N117 HydrophobicContact CB-CB 4.38Å; P114-N117 WeakPolarHBondContact O-CA 3.36Å; P114-N117 WeakPolarHBondContact O-CB 3.21Å; P114-N117 PolarHBondContact O-N 3.29Å; P114-R118 PolarHBondContact O-N 3.31Å; P114-R118 VanDerWaalsContact O-N 3.17Å
115K97.2Very high97.6Very high148 Ų14831.1 Ų31.164%0.64316%0.162SC*.Hα-helixtrans-54.5-40.4179.4-74.2-170.2174.9-175.40113N113 N117 R118 E119 H373N113-K115 PolarHBondContact O-N 3.12Å; K115-N117 VanDerWaalsContact C-N 3.25Å; K115-N117 PolarHBondContact O-N 3.28Å; K115-R118 WeakPolarHBondContact O-CB 3.45Å; K115-R118 PolarHBondContact O-N 2.82Å; K115-R118 VanDerWaalsContact O-N 3.14Å; K115-E119 PolarHBondContact O-N 3.29Å; K115-H373 VanDerWaalsContact CB-CE1 3.47Å; K115-H373 WeakPolarHBondContact CB-CE1 3.48Å; K115-H373 PolarHBondContact O-CE1 3.02Å
116A98Very high97.6Very high65 Ų6531.1 Ų31.154%0.53716%0.162SC..Hα-helixtrans-60.6-34.8176.200000112.4P114 K120P114-A116 PolarHBondContact O-N 2.8Å; A116-K120 WeakPolarHBondContact O-CB 3.48Å; A116-K120 PolarHBondContact O-N 2.93Å
117N98.2Very high97.6Very high22 Ų2235.9 Ų35.912%0.11818%0.184CC..Hα-helixtrans-69.4-40.5175.5-76.231.8000111.2I77 I78 W81 N113 P114 K115 E119 K120 M121I77-N117 WeakPolarHBondContact CG2-ND2 3.42Å; I78-N117 PolarHBondContact O-ND2 3.13Å; W81-N117 HydrophobicContact CH2-CB 4.1Å; W81-N117 WeakPolarHBondContact CH2-O 3.48Å; W81-N117 HydrophobicContact CZ2-CB 3.86Å; N113-N117 WeakPolarHBondContact OD1-CB 3.33Å; P114-N117 HydrophobicContact CB-CB 4.38Å; P114-N117 WeakPolarHBondContact O-CA 3.36Å; P114-N117 WeakPolarHBondContact O-CB 3.21Å; P114-N117 PolarHBondContact O-N 3.29Å; K115-N117 VanDerWaalsContact C-N 3.25Å; K115-N117 PolarHBondContact O-N 3.28Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 3.05Å; N117-K120 PolarHBondContact O-N 3.09Å; N117-M121 VanDerWaalsContact O-CG 3.32Å; N117-M121 WeakPolarHBondContact O-CG 3.5Å; N117-M121 PolarHBondContact O-N 3.14Å
118R98.1Very high97.6Very high27 Ų2739.1 Ų39.110%0.10220%0.204CC..Hα-helixtrans-57.6-48.9174.2-52.3-176.686.2-155.212.2111.1E109 P114 K115 K120 M121 T122 V372 C376E109-R118 IonicContact OE1-CZ 3.36Å; E109-R118 VanDerWaalsContact OE1-CZ 3.24Å; E109-R118 IonicContact OE1-NE 2.84Å; E109-R118 PolarHBondContact OE1-NE 3.32Å; E109-R118 IonicContact OE1-NH2 3.82Å; E109-R118 PolarHBondContact OE1-NH2 2.84Å; E109-R118 WeakPolarHBondContact OE2-CG 3.42Å; E109-R118 IonicContact OE2-NE 3.39Å; E109-R118 PolarHBondContact OE2-NE 3.39Å; P114-R118 PolarHBondContact O-N 3.31Å; P114-R118 VanDerWaalsContact O-N 3.17Å; K115-R118 WeakPolarHBondContact O-CB 3.45Å; K115-R118 PolarHBondContact O-N 2.82Å; K115-R118 VanDerWaalsContact O-N 3.14Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 3.37Å; R118-M121 HydrophobicContact CB-CE 4.39Å; R118-M121 HydrophobicContact CG-CE 4.37Å; R118-M121 PolarHBondContact O-N 3.36Å; R118-T122 PolarHBondContact O-N 3.36Å; R118-T122 VanDerWaalsContact O-N 3.07Å; R118-T122 PolarHBondContact O-OG1 3.49Å; R118-T122 VanDerWaalsContact O-OG1 3.1Å; R118-V372 HydrophobicContact CB-CG1 3.74Å; R118-V372 HydrophobicContact CB-CG2 4.2Å; R118-C376 PolarHBondContact NH1-O 2.77Å; R118-C376 PolarHBondContact NH2-O 2.91Å
119E98.6Very high97.6Very high69 Ų6939.3 Ų39.332%0.32221%0.205SC..Hα-helixtrans-60.2-43.4176.3-71.4173.6-152.700111.9K115 N117 T122 Q123 P369 V372 H373K115-E119 PolarHBondContact O-N 3.29Å; N117-E119 VanDerWaalsContact C-N 3.34Å; N117-E119 PolarHBondContact O-N 3.05Å; E119-T122 WeakPolarHBondContact O-CB 3.24Å; E119-T122 PolarHBondContact O-N 2.89Å; E119-Q123 WeakPolarHBondContact O-CB 3.45Å; E119-Q123 PolarHBondContact O-N 2.83Å; E119-P369 HydrophobicContact CB-CB 3.72Å; E119-P369 HydrophobicContact CG-CB 4.06Å; E119-V372 HydrophobicContact CG-CG1 4.36Å; E119-H373 WeakPolarHBondContact CG-NE2 3.22Å; E119-H373 IonicContact OE1-CD2 3.24Å; E119-H373 IonicContact OE1-CE1 2.81Å; E119-H373 IonicContact OE1-NE2 3.57Å; E119-H373 PolarHBondContact OE1-NE2 3.32Å
120K98.5Very high97.6Very high62 Ų6243 Ų4327%0.2723%0.225SC..Hα-helixtrans-69-37.2-178.8-170.959.5178.61710112.9W81 A116 N117 R118 T122 Q123 I124W81-K120 HydrophobicContact CD2-CB 4.23Å; W81-K120 HydrophobicContact CD2-CG 3.39Å; W81-K120 VanDerWaalsContact CE2-CG 3.47Å; W81-K120 HydrophobicContact CE3-CB 4.3Å; W81-K120 HydrophobicContact CE3-CG 3.59Å; W81-K120 HydrophobicContact CG-CG 3.94Å; W81-K120 HydrophobicContact CH2-CB 3.73Å; W81-K120 HydrophobicContact CH2-CG 3.95Å; W81-K120 HydrophobicContact CZ2-CB 3.64Å; W81-K120 HydrophobicContact CZ2-CG 3.78Å; W81-K120 HydrophobicContact CZ3-CB 4.05Å; W81-K120 HydrophobicContact CZ3-CG 3.84Å; A116-K120 WeakPolarHBondContact O-CB 3.48Å; A116-K120 PolarHBondContact O-N 2.93Å; N117-K120 PolarHBondContact O-N 3.09Å; R118-K120 VanDerWaalsContact C-N 3.35Å; R118-K120 PolarHBondContact O-N 3.37Å; K120-T122 VanDerWaalsContact C-N 3.31Å; K120-Q123 PolarHBondContact O-N 3.15Å; K120-I124 HydrophobicContact CD-CD1 4.3Å; K120-I124 HydrophobicContact CD-CG1 4.46Å; K120-I124 HydrophobicContact CG-CD1 4.06Å; K120-I124 WeakPolarHBondContact O-CG1 3.38Å; K120-I124 PolarHBondContact O-N 2.87Å
121M98.4Very high97.8Very high3 Ų342.9 Ų42.92%0.01522%0.224CC..Hα-helixtrans-58-47169.6-68.2-173.1-66.200110.6I78 W81 W88 L107 E109 N113 N117 R118 I124 M125 V136I78-M121 HydrophobicContact CD1-CG 4.12Å; I78-M121 HydrophobicContact CD1-SD 4.15Å; W81-M121 HydrophobicContact CH2-CG 3.78Å; W81-M121 HydrophobicContact CZ3-CG 3.82Å; W88-M121 HydrophobicContact CH2-CB 4.42Å; W88-M121 HydrophobicContact CH2-CG 4.01Å; W88-M121 HydrophobicContact CZ2-CG 4.48Å; L107-M121 HydrophobicContact CD1-CB 4.21Å; E109-M121 HydrophobicContact CB-CE 4.44Å; N113-M121 VanDerWaalsContact ND2-CE 3.32Å; N113-M121 WeakPolarHBondContact ND2-CE 3.37Å; N117-M121 VanDerWaalsContact O-CG 3.32Å; N117-M121 WeakPolarHBondContact O-CG 3.5Å; N117-M121 PolarHBondContact O-N 3.14Å; R118-M121 HydrophobicContact CB-CE 4.39Å; R118-M121 HydrophobicContact CG-CE 4.37Å; R118-M121 PolarHBondContact O-N 3.36Å; M121-I124 PolarHBondContact O-N 2.83Å; M121-M125 WeakPolarHBondContact O-CG 3.42Å; M121-M125 PolarHBondContact O-N 2.87Å; M121-V136 HydrophobicContact CE-CG1 3.75Å; M121-V136 HydrophobicContact CE-CG2 4.19Å
122T98.4Very high97.9Very high0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-62-46.2179.6-61.10000112.4R118 E119 K120 I124 M125 F126 M134 Y364 I371R118-T122 PolarHBondContact O-N 3.36Å; R118-T122 VanDerWaalsContact O-N 3.07Å; R118-T122 PolarHBondContact O-OG1 3.49Å; R118-T122 VanDerWaalsContact O-OG1 3.1Å; E119-T122 WeakPolarHBondContact O-CB 3.24Å; E119-T122 PolarHBondContact O-N 2.89Å; K120-T122 VanDerWaalsContact C-N 3.31Å; T122-I124 PolarHBondContact O-N 3.48Å; T122-M125 PolarHBondContact O-N 3.03Å; T122-F126 HydrophobicContact CG2-CD2 3.78Å; T122-F126 HydrophobicContact CG2-CE2 3.89Å; T122-F126 WeakPolarHBondContact O-CD2 3.33Å; T122-F126 PolarHBondContact O-N 2.98Å; T122-M134 VanDerWaalsContact CA-SD 3.52Å; T122-M134 HydrophobicContact CG2-SD 3.93Å; T122-Y364 HydrophobicContact CG2-CD2 3.73Å; T122-Y364 HydrophobicContact CG2-CE2 3.92Å; T122-I371 HydrophobicContact CG2-CG2 4.32Å
123Q98.5Very high98.1Very high59 Ų5940.9 Ų40.928%0.27622%0.218SC..Hα-helixtrans-57-51.2176.8-171.2-170.2-6.300111.3E119 K120 M125 F126 E127 P369E119-Q123 WeakPolarHBondContact O-CB 3.45Å; E119-Q123 PolarHBondContact O-N 2.83Å; K120-Q123 PolarHBondContact O-N 3.15Å; Q123-M125 PolarHBondContact O-N 3.39Å; Q123-F126 PolarHBondContact O-N 3.06Å; Q123-E127 HydrophobicContact CG-CG 4.12Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.26Å; Q123-E127 PolarHBondContact NE2-OE2 3.18Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.35Å; Q123-E127 WeakPolarHBondContact O-CG 3.37Å; Q123-E127 PolarHBondContact O-N 3.45Å; Q123-P369 HydrophobicContact CB-CG 4.15Å; Q123-P369 HydrophobicContact CG-CG 4.5Å
124I98.7Very high98.2Very high2 Ų239.9 Ų39.91%0.0121%0.213CC..Hα-helixtrans-62.8-45-176.8-70.7165.3000111.3W81 E85 W88 K120 M121 T122 F126 T128 F129W81-I124 HydrophobicContact CD2-CD1 4.33Å; W81-I124 HydrophobicContact CE3-CD1 3.5Å; W81-I124 HydrophobicContact CZ3-CD1 4.1Å; E85-I124 HydrophobicContact CG-CD1 3.82Å; E85-I124 HydrophobicContact CG-CG1 4.2Å; E85-I124 HydrophobicContact CG-CG2 3.76Å; W88-I124 HydrophobicContact CE3-CG2 3.79Å; W88-I124 HydrophobicContact CZ3-CB 4.12Å; W88-I124 HydrophobicContact CZ3-CD1 3.91Å; W88-I124 HydrophobicContact CZ3-CG2 3.68Å; K120-I124 HydrophobicContact CD-CD1 4.3Å; K120-I124 HydrophobicContact CD-CG1 4.46Å; K120-I124 HydrophobicContact CG-CD1 4.06Å; K120-I124 WeakPolarHBondContact O-CG1 3.38Å; K120-I124 PolarHBondContact O-N 2.87Å; M121-I124 PolarHBondContact O-N 2.83Å; T122-I124 PolarHBondContact O-N 3.48Å; I124-F126 VanDerWaalsContact C-N 3.32Å; I124-F126 PolarHBondContact O-N 3.07Å; I124-T128 WeakPolarHBondContact O-CA 3.34Å; I124-T128 WeakPolarHBondContact O-CB 3.35Å; I124-T128 PolarHBondContact O-N 2.93Å; I124-F129 HydrophobicContact CG2-CD2 3.79Å; I124-F129 HydrophobicContact CG2-CE2 3.61Å; I124-F129 PolarHBondContact O-N 3.37Å; I124-F129 VanDerWaalsContact O-N 3.13Å
125M98.7Very high98.3Very high0 Ų038.1 Ų38.10%020%0.199CC..Hα-helixtrans-60.6-42.4-179.5-75-63.2150.300112W88 F92 T105 L107 M121 T122 Q123 F129 N130 V131 M134W88-M125 HydrophobicContact CB-CE 4.24Å; W88-M125 HydrophobicContact CD2-CE 3.36Å; W88-M125 HydrophobicContact CE3-CE 3.64Å; W88-M125 HydrophobicContact CG-CE 3.67Å; W88-M125 HydrophobicContact CH2-CE 4.31Å; W88-M125 HydrophobicContact CZ2-CE 4.1Å; W88-M125 HydrophobicContact CZ3-CE 4.1Å; F92-M125 HydrophobicContact CE2-CE 4.19Å; F92-M125 HydrophobicContact CE2-SD 4.26Å; F92-M125 HydrophobicContact CZ-CE 4.1Å; F92-M125 HydrophobicContact CZ-SD 4.07Å; T105-M125 HydrophobicContact CG2-SD 4.33Å; L107-M125 HydrophobicContact CD1-CE 3.8Å; L107-M125 HydrophobicContact CD1-CG 3.65Å; L107-M125 HydrophobicContact CD1-SD 4.23Å; L107-M125 HydrophobicContact CD2-CE 3.79Å; L107-M125 HydrophobicContact CG-CE 4.27Å; M121-M125 WeakPolarHBondContact O-CG 3.42Å; M121-M125 PolarHBondContact O-N 2.87Å; T122-M125 PolarHBondContact O-N 3.03Å; Q123-M125 PolarHBondContact O-N 3.39Å; M125-F129 HydrophobicContact CE-CD2 4.23Å; M125-F129 HydrophobicContact CE-CE2 4.48Å; M125-F129 CarbonylContact O-C 3.53Å; M125-F129 HydrophobicContact SD-CD2 4.16Å; M125-N130 PolarHBondContact O-N 2.88Å; M125-V131 HydrophobicContact CB-CG2 3.84Å; M125-V131 WeakPolarHBondContact O-CG2 3.48Å; M125-V131 PolarHBondContact O-N 3.35Å; M125-V131 HydrophobicContact SD-CG1 4.21Å; M125-M134 HydrophobicContact CB-SD 3.69Å; M125-M134 HydrophobicContact CG-CE 4.48Å; M125-M134 HydrophobicContact CG-SD 4.17Å
126F98.6Very high98.3Very high0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-84.2-35.2-178.9-77-59.2000115.1T122 Q123 I124 N130 V131 M134 I359 K361 Y364T122-F126 HydrophobicContact CG2-CD2 3.78Å; T122-F126 HydrophobicContact CG2-CE2 3.89Å; T122-F126 WeakPolarHBondContact O-CD2 3.33Å; T122-F126 PolarHBondContact O-N 2.98Å; Q123-F126 PolarHBondContact O-N 3.06Å; I124-F126 VanDerWaalsContact C-N 3.32Å; I124-F126 PolarHBondContact O-N 3.07Å; F126-N130 WeakPolarHBondContact O-CA 3.28Å; F126-N130 PolarHBondContact O-OD1 2.59Å; F126-V131 HydrophobicContact CD1-CG2 4.02Å; F126-V131 VanDerWaalsContact CD1-O 3.24Å; F126-V131 WeakPolarHBondContact CD1-O 3.39Å; F126-V131 HydrophobicContact CE1-CG2 4.12Å; F126-V131 WeakPolarHBondContact CE1-O 3.5Å; F126-M134 HydrophobicContact CD2-CG 4.24Å; F126-M134 HydrophobicContact CD2-SD 4.1Å; F126-M134 HydrophobicContact CE1-CG 4.48Å; F126-M134 HydrophobicContact CE2-CG 3.48Å; F126-M134 VanDerWaalsContact CE2-CG 3.48Å; F126-M134 HydrophobicContact CE2-SD 3.84Å; F126-M134 HydrophobicContact CZ-CG 3.64Å; F126-I359 HydrophobicContact CE2-CG2 3.82Å; F126-I359 HydrophobicContact CZ-CB 4.38Å; F126-I359 HydrophobicContact CZ-CG2 3.87Å; F126-I359 WeakPolarHBondContact CZ-O 3.48Å; F126-K361 HydrophobicContact CB-CD 4.28Å; F126-K361 HydrophobicContact CD1-CB 4.25Å; F126-K361 HydrophobicContact CD1-CD 3.53Å; F126-K361 HydrophobicContact CE1-CB 4.05Å; F126-K361 HydrophobicContact CE1-CD 4.19Å; F126-K361 HydrophobicContact CG-CD 4.22Å; F126-K361 PolarHBondContact O-NZ 2.88Å; F126-Y364 HydrophobicContact CB-CD1 3.64Å; F126-Y364 HydrophobicContact CB-CD2 4.29Å; F126-Y364 HydrophobicContact CB-CE1 3.73Å; F126-Y364 HydrophobicContact CB-CE2 4.34Å; F126-Y364 HydrophobicContact CB-CG 3.94Å; F126-Y364 HydrophobicContact CD1-CG 4.48Å; F126-Y364 AromaticContact CD2-CD1 3.97Å; F126-Y364 HydrophobicContact CD2-CD1 3.97Å; F126-Y364 AromaticContact CD2-CD2 3.35Å; F126-Y364 HydrophobicContact CD2-CD2 3.35Å; F126-Y364 AromaticContact CD2-CE2 3.98Å; F126-Y364 HydrophobicContact CD2-CE2 3.98Å; F126-Y364 AromaticContact CD2-CG 3.32Å; F126-Y364 HydrophobicContact CD2-CG 3.32Å; F126-Y364 AromaticContact CE2-CD2 3.89Å; F126-Y364 HydrophobicContact CE2-CD2 3.89Å; F126-Y364 AromaticContact CE2-CG 3.82Å; F126-Y364 HydrophobicContact CE2-CG 3.82Å; F126-Y364 AromaticContact CG-CD1 3.85Å; F126-Y364 HydrophobicContact CG-CD1 3.85Å; F126-Y364 HydrophobicContact CG-CD2 4.09Å; F126-Y364 HydrophobicContact CG-CE1 4.4Å; F126-Y364 AromaticContact CG-CG 3.68Å; F126-Y364 HydrophobicContact CG-CG 3.68Å
127E98.5Very high98.3Very high99 Ų9928.5 Ų28.546%0.46315%0.147SC..Hα-helixtrans-92.6-37.3-174.5-64.2-177.8-177.400112.6Q123 Y364Q123-E127 HydrophobicContact CG-CG 4.12Å; Q123-E127 WeakPolarHBondContact CG-OE2 3.26Å; Q123-E127 PolarHBondContact NE2-OE2 3.18Å; Q123-E127 VanDerWaalsContact O-CB 3.24Å; Q123-E127 WeakPolarHBondContact O-CB 3.35Å; Q123-E127 WeakPolarHBondContact O-CG 3.37Å; Q123-E127 PolarHBondContact O-N 3.45Å; E127-Y364 VanDerWaalsContact CD-OH 3.3Å; E127-Y364 HydrophobicContact CG-CE1 4.1Å; E127-Y364 WeakPolarHBondContact CG-OH 3.18Å; E127-Y364 PolarHBondContact OE1-OH 2.93Å
128T98.4Very high98.3Very high69 Ų6928.3 Ų28.342%0.42315%0.145SC..THydrogen-bonded Turntrans-92.7-49-177.9-51.60000111.1I124I124-T128 WeakPolarHBondContact O-CA 3.34Å; I124-T128 WeakPolarHBondContact O-CB 3.35Å; I124-T128 PolarHBondContact O-N 2.93Å
129F98.5Very high98.3Very high6 Ų627.9 Ų27.93%0.02614%0.144CC..SBendtrans-94.8-6.8-177.2-64.9-68.2000114.1W88 H89 F92 Y93 P100 I124 M125 V131W88-F129 HydrophobicContact CB-CE2 3.68Å; W88-F129 HydrophobicContact CB-CZ 3.64Å; W88-F129 HydrophobicContact CE3-CE2 4.08Å; H89-F129 HydrophobicContact CB-CE1 4.05Å; H89-F129 HydrophobicContact CB-CZ 4.2Å; F92-F129 AromaticContact CD2-CD1 3.74Å; F92-F129 HydrophobicContact CD2-CD1 3.74Å; F92-F129 AromaticContact CD2-CE1 3.88Å; F92-F129 HydrophobicContact CD2-CE1 3.88Å; F92-F129 HydrophobicContact CD2-CG 4.18Å; F92-F129 HydrophobicContact CD2-CZ 4.43Å; F92-F129 HydrophobicContact CE2-CB 4.4Å; F92-F129 AromaticContact CE2-CD1 3.91Å; F92-F129 HydrophobicContact CE2-CD1 3.91Å; F92-F129 HydrophobicContact CE2-CD2 4.09Å; F92-F129 HydrophobicContact CE2-CE1 4.19Å; F92-F129 HydrophobicContact CE2-CE2 4.36Å; F92-F129 AromaticContact CE2-CG 3.86Å; F92-F129 HydrophobicContact CE2-CG 3.86Å; F92-F129 HydrophobicContact CE2-CZ 4.41Å; Y93-F129 HydrophobicContact CE2-CE1 4.42Å; P100-F129 HydrophobicContact CB-CB 4.14Å; P100-F129 HydrophobicContact CG-CB 4.04Å; P100-F129 HydrophobicContact CG-CD1 3.97Å; P100-F129 HydrophobicContact CG-CG 4.44Å; I124-F129 HydrophobicContact CG2-CD2 3.79Å; I124-F129 HydrophobicContact CG2-CE2 3.61Å; I124-F129 PolarHBondContact O-N 3.37Å; I124-F129 VanDerWaalsContact O-N 3.13Å; M125-F129 HydrophobicContact CE-CD2 4.23Å; M125-F129 HydrophobicContact CE-CE2 4.48Å; M125-F129 CarbonylContact O-C 3.53Å; M125-F129 HydrophobicContact SD-CD2 4.16Å; F129-V131 HydrophobicContact CB-CG1 4.12Å; F129-V131 PolarHBondContact O-N 2.81Å; F129-V131 VanDerWaalsContact O-N 3.1Å
130N98.2Very high98.2Very high89 Ų8924.6 Ų24.648%0.47613%0.129SC..  trans50.733.9178-61.9-64.6000114.2E101 M125 F126E101-N130 WeakPolarHBondContact CA-O 3.44Å; E101-N130 HydrophobicContact CB-CB 4.17Å; M125-N130 PolarHBondContact O-N 2.88Å; F126-N130 WeakPolarHBondContact O-CA 3.28Å; F126-N130 PolarHBondContact O-OD1 2.59Å
131V98.5Very high98.1Very high0 Ų022.2 Ų22.20%012%0.12CC..  trans-59.2140.9179.6-560000110.1P100 M125 F126 F129 A133 M134P100-V131 HydrophobicContact CB-CG1 4.16Å; M125-V131 HydrophobicContact CB-CG2 3.84Å; M125-V131 WeakPolarHBondContact O-CG2 3.48Å; M125-V131 PolarHBondContact O-N 3.35Å; M125-V131 HydrophobicContact SD-CG1 4.21Å; F126-V131 HydrophobicContact CD1-CG2 4.02Å; F126-V131 VanDerWaalsContact CD1-O 3.24Å; F126-V131 WeakPolarHBondContact CD1-O 3.39Å; F126-V131 HydrophobicContact CE1-CG2 4.12Å; F126-V131 WeakPolarHBondContact CE1-O 3.5Å; F129-V131 HydrophobicContact CB-CG1 4.12Å; F129-V131 PolarHBondContact O-N 2.81Å; F129-V131 VanDerWaalsContact O-N 3.1Å; V131-A133 VanDerWaalsContact C-N 3.28Å; V131-A133 PolarHBondContact O-N 3.16Å; V131-M134 HydrophobicContact CG2-CB 4.05Å
132P97.7Very high98.1Very high49 Ų4922.1 Ų22.132%0.31812%0.119SC..SBendtrans-69.7-30.3-177.727.3-34.5000111.9E101 H103 P104 K361E101-P132 WeakPolarHBondContact O-CD 3.37Å; H103-P132 WeakPolarHBondContact O-CD 3.31Å; P104-P132 HydrophobicContact CG-CG 4.33Å; P132-K361 PolarHBondContact O-N 3.14Å
133A98Very high98.1Very high11 Ų1122.1 Ų22.19%0.09112%0.119CC..EExtended strand (participates in β ladder)trans-155.4157.8175.700000111.1P104 T105 V131 W358 I359P104-A133 CarbonylContact C-O 3.25Å; P104-A133 VanDerWaalsContact CA-O 3.26Å; P104-A133 WeakPolarHBondContact CA-O 3.09Å; P104-A133 HydrophobicContact CB-CB 4.15Å; P104-A133 HydrophobicContact CG-CB 4.48Å; T105-A133 PolarHBondContact N-O 3.27Å; V131-A133 VanDerWaalsContact C-N 3.28Å; V131-A133 PolarHBondContact O-N 3.16Å; A133-W358 HydrophobicContact CB-CB 4.09Å; A133-W358 HydrophobicContact CB-CG 4.41Å; A133-I359 CarbonylContact C-O 3.58Å; A133-I359 WeakPolarHBondContact CA-O 3.43Å; A133-I359 WeakPolarHBondContact CB-O 3.43Å
134M98.1Very high98Very high0 Ų019.3 Ų19.30%011%0.106CC..EExtended strand (participates in β ladder)trans-149.4164.8174.467.9160.6-66.100113.9T105 L107 T122 M125 F126 V131 V136 I359T105-M134 WeakPolarHBondContact O-CA 3.32Å; T105-M134 VanDerWaalsContact O-CB 3.26Å; T105-M134 WeakPolarHBondContact O-CB 3.37Å; L107-M134 HydrophobicContact CD1-CE 4.11Å; T122-M134 VanDerWaalsContact CA-SD 3.52Å; T122-M134 HydrophobicContact CG2-SD 3.93Å; M125-M134 HydrophobicContact CB-SD 3.69Å; M125-M134 HydrophobicContact CG-CE 4.48Å; M125-M134 HydrophobicContact CG-SD 4.17Å; F126-M134 HydrophobicContact CD2-CG 4.24Å; F126-M134 HydrophobicContact CD2-SD 4.1Å; F126-M134 HydrophobicContact CE1-CG 4.48Å; F126-M134 HydrophobicContact CE2-CG 3.48Å; F126-M134 VanDerWaalsContact CE2-CG 3.48Å; F126-M134 HydrophobicContact CE2-SD 3.84Å; F126-M134 HydrophobicContact CZ-CG 3.64Å; V131-M134 HydrophobicContact CG2-CB 4.05Å; M134-V136 HydrophobicContact CE-CG2 3.47Å; M134-V136 VanDerWaalsContact CE-CG2 3.47Å; M134-I359 PolarHBondContact N-O 3.49Å; M134-I359 WeakPolarHBondContact O-CB 3.45Å; M134-I359 PolarHBondContact O-N 2.74Å
135Y98.3Very high97.8Very high21 Ų2122.1 Ų22.18%0.08212%0.117CC..EExtended strand (participates in β ladder)trans-146.4149.5173.5-165.3-96000110T105 L106 L107 A137 F354 M357 K375 C376T105-Y135 PolarHBondContact O-N 2.78Å; T105-Y135 VanDerWaalsContact O-N 3.1Å; L106-Y135 WeakPolarHBondContact CA-O 3.38Å; L106-Y135 HydrophobicContact CD1-CD1 4.38Å; L107-Y135 PolarHBondContact N-O 3.18Å; Y135-A137 HydrophobicContact CD1-CB 4.04Å; Y135-A137 HydrophobicContact CE1-CB 3.96Å; Y135-F354 HydrophobicContact CD1-CE2 4.11Å; Y135-F354 AromaticContact CD1-CZ 3.63Å; Y135-F354 HydrophobicContact CD1-CZ 3.63Å; Y135-F354 HydrophobicContact CD2-CE2 4.27Å; Y135-F354 AromaticContact CD2-CZ 3.89Å; Y135-F354 HydrophobicContact CD2-CZ 3.89Å; Y135-F354 HydrophobicContact CE1-CE2 4.04Å; Y135-F354 HydrophobicContact CE1-CZ 4.05Å; Y135-F354 HydrophobicContact CE2-CE2 4.21Å; Y135-F354 HydrophobicContact CE2-CZ 4.29Å; Y135-F354 HydrophobicContact CG-CE1 4.49Å; Y135-F354 HydrophobicContact CG-CE2 4.22Å; Y135-F354 AromaticContact CG-CZ 3.54Å; Y135-F354 HydrophobicContact CG-CZ 3.54Å; Y135-M357 HydrophobicContact CD2-CB 4.49Å; Y135-M357 WeakPolarHBondContact CD2-O 3.44Å; Y135-M357 HydrophobicContact CE2-CB 4.13Å; Y135-K375 WeakPolarHBondContact CE2-O 3.43Å; Y135-K375 PolarHBondContact OH-O 2.98Å; Y135-C376 VanDerWaalsContact CD2-SG 3.52Å; Y135-C376 HydrophobicContact CE2-CB 4.33Å; Y135-C376 VanDerWaalsContact CE2-SG 3.54Å
136V98.1Very high97.7Very high2 Ų223.3 Ų23.31%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-117.1125.3173.1-174.40000108.9L107 E109 M121 M134 V372 C376L107-V136 CarbonylContact O-C 3.51Å; L107-V136 VanDerWaalsContact O-CA 3.31Å; L107-V136 WeakPolarHBondContact O-CA 3.4Å; E109-V136 HydrophobicContact CB-CG1 3.92Å; E109-V136 HydrophobicContact CG-CG1 3.66Å; E109-V136 WeakPolarHBondContact OE2-CG1 3.39Å; M121-V136 HydrophobicContact CE-CG1 3.75Å; M121-V136 HydrophobicContact CE-CG2 4.19Å; M134-V136 HydrophobicContact CE-CG2 3.47Å; M134-V136 VanDerWaalsContact CE-CG2 3.47Å; V136-V372 HydrophobicContact CB-CG2 4.34Å; V136-V372 HydrophobicContact CG2-CG2 4.01Å; V136-C376 HydrophobicContact CB-CB 4.4Å; V136-C376 PolarHBondContact N-SG 3.33Å; V136-C376 VanDerWaalsContact N-SG 3.4Å; V136-C376 WeakPolarHBondContact O-CB 3.41Å
137A97.6Very high97.5Very high9 Ų924.4 Ų24.47%0.07413%0.134CC..EExtended strand (participates in β ladder)trans-126.9144.5-17800000112.7L106 L107 T108 E109 Y135 Q139 L142L106-A137 HydrophobicContact CD2-CB 4.35Å; L107-A137 PolarHBondContact O-N 3.02Å; T108-A137 CarbonylContact C-O 3.45Å; T108-A137 VanDerWaalsContact CA-O 3.27Å; T108-A137 WeakPolarHBondContact CA-O 3.47Å; E109-A137 PolarHBondContact N-O 3.45Å; Y135-A137 HydrophobicContact CD1-CB 4.04Å; Y135-A137 HydrophobicContact CE1-CB 3.96Å; A137-Q139 PolarHBondContact O-N 3.43Å; A137-L142 HydrophobicContact CB-CD1 3.89Å; A137-L142 HydrophobicContact CB-CD2 3.8Å; A137-L142 HydrophobicContact CB-CG 3.91Å
138I97.3Very high97.3Very high17 Ų1723.1 Ų23.19%0.08715%0.148CC..EExtended strand (participates in β ladder)trans-70.8127.3178.7-61172.7000109.9E109 P111 A140 V141 L142 A172E109-I138 HydrophobicContact CG-CG1 4.41Å; E109-I138 WeakPolarHBondContact O-CA 3.35Å; P111-I138 HydrophobicContact CB-CG2 4.21Å; I138-A140 VanDerWaalsContact C-N 3.27Å; I138-A140 HydrophobicContact CG2-CB 4.25Å; I138-A140 PolarHBondContact O-N 2.9Å; I138-V141 HydrophobicContact CB-CB 4.34Å; I138-V141 HydrophobicContact CB-CG2 3.97Å; I138-V141 HydrophobicContact CG2-CG2 4.26Å; I138-V141 PolarHBondContact O-N 3.15Å; I138-L142 PolarHBondContact O-N 3.34Å; I138-L142 VanDerWaalsContact O-N 3.14Å; I138-A172 HydrophobicContact CD1-CB 3.97Å
139Q98.1Very high97.2Very high18 Ų1822.8 Ų22.88%0.08414%0.139CC..Hα-helixtrans-52.3-42.8-177.5-71.7176.1-42.800113.3D13 N14 T108 E109 A137 L142 S143 V341D13-Q139 PolarHBondContact OD1-NE2 2.75Å; N14-Q139 PolarHBondContact O-NE2 3.41Å; T108-Q139 PolarHBondContact OG1-NE2 2.89Å; E109-Q139 WeakPolarHBondContact O-CG 3.26Å; E109-Q139 PolarHBondContact O-N 3.42Å; A137-Q139 PolarHBondContact O-N 3.43Å; Q139-L142 PolarHBondContact O-N 3.27Å; Q139-S143 PolarHBondContact O-N 3.43Å; Q139-S143 PolarHBondContact O-OG 3.46Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.9Å; Q139-V341 HydrophobicContact CG-CG1 3.77Å; Q139-V341 HydrophobicContact CG-CG2 4.4Å
140A97.2Very high97Very high0 Ų026.1 Ų26.10%016%0.16CC..Hα-helixtrans-64.9-41.3177.900000113.2I138 S143 L144 V154 V165I138-A140 VanDerWaalsContact C-N 3.27Å; I138-A140 HydrophobicContact CG2-CB 4.25Å; I138-A140 PolarHBondContact O-N 2.9Å; A140-S143 WeakPolarHBondContact O-CB 3.34Å; A140-S143 PolarHBondContact O-N 2.71Å; A140-L144 PolarHBondContact O-N 3.19Å; A140-V154 HydrophobicContact CB-CB 4.01Å; A140-V154 HydrophobicContact CB-CG1 4.11Å; A140-V154 WeakPolarHBondContact O-CG2 3.26Å; A140-V165 HydrophobicContact CB-CB 3.53Å; A140-V165 HydrophobicContact CB-CG1 3.91Å; A140-V165 HydrophobicContact CB-CG2 3.55Å
141V97.3Very high97Very high13 Ų1323 Ų238%0.07914%0.144CC..Hα-helixtrans-63.8-44.4178.2176.70000110.1I138 S143 L144 Y145 V167 G170 A172I138-V141 HydrophobicContact CB-CB 4.34Å; I138-V141 HydrophobicContact CB-CG2 3.97Å; I138-V141 HydrophobicContact CG2-CG2 4.26Å; I138-V141 PolarHBondContact O-N 3.15Å; V141-S143 VanDerWaalsContact C-N 3.34Å; V141-S143 PolarHBondContact O-N 3.01Å; V141-L144 WeakPolarHBondContact O-CB 3.49Å; V141-L144 PolarHBondContact O-N 3.48Å; V141-L144 VanDerWaalsContact O-N 3.15Å; V141-Y145 HydrophobicContact CG1-CD2 4.49Å; V141-Y145 HydrophobicContact CG1-CE1 4.27Å; V141-Y145 HydrophobicContact CG1-CE2 3.85Å; V141-Y145 PolarHBondContact O-N 3.12Å; V141-Y145 VanDerWaalsContact O-N 3.13Å; V141-V167 HydrophobicContact CG2-CG1 4.36Å; V141-V167 HydrophobicContact CG2-CG2 4.01Å; V141-G170 WeakPolarHBondContact CG1-O 3.06Å; V141-A172 HydrophobicContact CG2-CB 4.01Å
142L97.8Very high97Very high0 Ų023 Ų230%014%0.144CC..Hα-helixtrans-60.9-43.5174.7-61.5-178.1000111.8L106 T108 A137 I138 Q139 L144 Y145 A146 V341 G344 L348L106-L142 HydrophobicContact CD2-CD1 4.07Å; T108-L142 HydrophobicContact CG2-CD1 3.62Å; A137-L142 HydrophobicContact CB-CD1 3.89Å; A137-L142 HydrophobicContact CB-CD2 3.8Å; A137-L142 HydrophobicContact CB-CG 3.91Å; I138-L142 PolarHBondContact O-N 3.34Å; I138-L142 VanDerWaalsContact O-N 3.14Å; Q139-L142 PolarHBondContact O-N 3.27Å; L142-L144 PolarHBondContact O-N 3.1Å; L142-Y145 HydrophobicContact CD2-CD2 4.26Å; L142-Y145 WeakPolarHBondContact O-CA 3.1Å; L142-Y145 WeakPolarHBondContact O-CB 3.21Å; L142-Y145 PolarHBondContact O-N 3.17Å; L142-A146 PolarHBondContact O-N 3.14Å; L142-V341 WeakPolarHBondContact CB-O 3.35Å; L142-V341 HydrophobicContact CD1-CG1 4.31Å; L142-G344 VanDerWaalsContact O-CA 3.23Å; L142-G344 WeakPolarHBondContact O-CA 3.14Å; L142-L348 HydrophobicContact CD2-CB 4.29Å; L142-L348 HydrophobicContact CD2-CD2 3.61Å
143S97.8Very high97Very high0 Ų020.7 Ų20.70%013%0.129CC..Hα-helixtrans-58.6-34.4176.9-59.20000112.6Q139 A140 V141 S302 V341Q139-S143 PolarHBondContact O-N 3.43Å; Q139-S143 PolarHBondContact O-OG 3.46Å; A140-S143 WeakPolarHBondContact O-CB 3.34Å; A140-S143 PolarHBondContact O-N 2.71Å; V141-S143 VanDerWaalsContact C-N 3.34Å; V141-S143 PolarHBondContact O-N 3.01Å; S143-S302 WeakPolarHBondContact CB-OG 3.31Å; S143-S302 WeakPolarHBondContact OG-CB 3.34Å; S143-S302 PolarHBondContact OG-OG 2.93Å; S143-V341 WeakPolarHBondContact OG-CG2 3.33Å
144L96.4Very high97.1Very high0 Ų020.2 Ų20.20%013%0.125CC..Hα-helixtrans-67.9-42.7174.7-165.569000111.6A140 V141 L142 A146 S147 G148 R149 V154 V167 V300A140-L144 PolarHBondContact O-N 3.19Å; V141-L144 WeakPolarHBondContact O-CB 3.49Å; V141-L144 PolarHBondContact O-N 3.48Å; V141-L144 VanDerWaalsContact O-N 3.15Å; L142-L144 PolarHBondContact O-N 3.1Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 2.97Å; L144-S147 WeakPolarHBondContact O-CA 3.34Å; L144-S147 WeakPolarHBondContact O-CB 3.25Å; L144-S147 PolarHBondContact O-N 3.14Å; L144-S147 PolarHBondContact O-OG 2.97Å; L144-G148 PolarHBondContact O-N 3Å; L144-R149 CarbonylContact C-O 3.41Å; L144-R149 HydrophobicContact CD1-CB 3.87Å; L144-R149 HydrophobicContact CG-CB 3.87Å; L144-R149 WeakPolarHBondContact CG-O 3.42Å; L144-R149 PolarHBondContact O-N 3.3Å; L144-V154 HydrophobicContact CB-CG2 3.98Å; L144-V154 HydrophobicContact CD1-CG2 4.01Å; L144-V154 HydrophobicContact CG-CG2 4.49Å; L144-V167 HydrophobicContact CD2-CB 3.64Å; L144-V167 HydrophobicContact CD2-CG1 3.67Å; L144-V167 HydrophobicContact CD2-CG2 4.22Å; L144-V300 HydrophobicContact CD1-CB 4.41Å; L144-V300 HydrophobicContact CD1-CG2 3.71Å
145Y95.2Very high97.1Very high61 Ų6120.4 Ų20.424%0.23913%0.126CC..Hα-helixtrans-60.7-39.3174.7-65.2-20.3000112.7V141 L142 S147 G148 R149 T150 L348V141-Y145 HydrophobicContact CG1-CD2 4.49Å; V141-Y145 HydrophobicContact CG1-CE1 4.27Å; V141-Y145 HydrophobicContact CG1-CE2 3.85Å; V141-Y145 PolarHBondContact O-N 3.12Å; V141-Y145 VanDerWaalsContact O-N 3.13Å; L142-Y145 HydrophobicContact CD2-CD2 4.26Å; L142-Y145 WeakPolarHBondContact O-CA 3.1Å; L142-Y145 WeakPolarHBondContact O-CB 3.21Å; L142-Y145 PolarHBondContact O-N 3.17Å; Y145-S147 PolarHBondContact O-N 3.44Å; Y145-S147 VanDerWaalsContact O-N 3.14Å; Y145-G148 WeakPolarHBondContact O-CA 2.9Å; Y145-G148 PolarHBondContact O-N 3.41Å; Y145-R149 WeakPolarHBondContact CD1-O 3.38Å; Y145-T150 HydrophobicContact CE1-CG2 4.28Å; Y145-L348 HydrophobicContact CD2-CB 4.36Å; Y145-L348 HydrophobicContact CD2-CD1 4.29Å; Y145-L348 HydrophobicContact CD2-CD2 4.44Å; Y145-L348 HydrophobicContact CE2-CD1 3.92Å; Y145-L348 HydrophobicContact CE2-CD2 4.16Å; Y145-L348 HydrophobicContact CE2-CG 4.5Å
146A96.1Very high97.1Very high25 Ų2519.9 Ų19.921%0.20712%0.124CC..Hα-helixtrans-58.7-26.4173.700000113L142 L144 G148 S340 I343L142-A146 PolarHBondContact O-N 3.14Å; L144-A146 VanDerWaalsContact C-N 3.34Å; L144-A146 PolarHBondContact O-N 2.97Å; A146-G148 VanDerWaalsContact C-N 3.33Å; A146-S340 VanDerWaalsContact CB-O 3.25Å; A146-S340 WeakPolarHBondContact CB-O 3.44Å; A146-I343 HydrophobicContact CB-CB 4.09Å; A146-I343 HydrophobicContact CB-CG2 3.88Å
147S94.7Very high97.1Very high23 Ų2320 Ų2016%0.16113%0.125CC..THydrogen-bonded Turntrans-86.5-0.417585.70000113.9L144 Y145 R149L144-S147 WeakPolarHBondContact O-CA 3.34Å; L144-S147 WeakPolarHBondContact O-CB 3.25Å; L144-S147 PolarHBondContact O-N 3.14Å; L144-S147 PolarHBondContact O-OG 2.97Å; Y145-S147 PolarHBondContact O-N 3.44Å; Y145-S147 VanDerWaalsContact O-N 3.14Å; S147-R149 PolarHBondContact O-NH1 3.44Å; S147-R149 WeakPolarHBondContact OG-CD 3.41Å; S147-R149 PolarHBondContact OG-NH1 3.37Å
148G94.3Very high97.1Very high72 Ų7220.7 Ų20.774%0.74213%0.134SC*.THydrogen-bonded Turntrans72.133.9-175.500000113.6L144 Y145 A146L144-G148 PolarHBondContact O-N 3Å; Y145-G148 WeakPolarHBondContact O-CA 2.9Å; Y145-G148 PolarHBondContact O-N 3.41Å; A146-G148 VanDerWaalsContact C-N 3.33Å
149R95.4Very high97.1Very high63 Ų6321.7 Ų21.724%0.23814%0.139CC..  trans-129.1151.2-176.6-68.4175177.66617111.5L144 Y145 S147 N298 I332L144-R149 CarbonylContact C-O 3.41Å; L144-R149 HydrophobicContact CD1-CB 3.87Å; L144-R149 HydrophobicContact CG-CB 3.87Å; L144-R149 WeakPolarHBondContact CG-O 3.42Å; L144-R149 PolarHBondContact O-N 3.3Å; Y145-R149 WeakPolarHBondContact CD1-O 3.38Å; S147-R149 PolarHBondContact O-NH1 3.44Å; S147-R149 WeakPolarHBondContact OG-CD 3.41Å; S147-R149 PolarHBondContact OG-NH1 3.37Å; R149-N298 WeakPolarHBondContact CD-OD1 3.46Å; R149-N298 PolarHBondContact NE-OD1 3.22Å; R149-I332 VanDerWaalsContact NE-CD1 3.31Å
150T95.1Very high97.1Very high76 Ų7621.1 Ų21.147%0.46614%0.138SC..SBendtrans-114.6-16.3173.154.40000112.8Y145 E169 G170Y145-T150 HydrophobicContact CE1-CG2 4.28Å; T150-E169 PolarHBondContact O-N 3.18Å; T150-E169 VanDerWaalsContact O-N 3.16Å; T150-G170 PolarHBondContact O-N 3.35Å
151T98Very high97.1Very high23 Ų2321.5 Ų21.514%0.14114%0.14CC..SBendtrans-126.7133.8176.6-61.60000110.2V167 Y168 E169 D294 L295T151-V167 WeakPolarHBondContact CA-O 3.48Å; T151-Y168 HydrophobicContact CG2-CD2 3.76Å; T151-Y168 HydrophobicContact CG2-CE2 4.37Å; T151-E169 PolarHBondContact OG1-N 2.84Å; T151-D294 HydrophobicContact CG2-CB 3.91Å; T151-L295 HydrophobicContact CG2-CD2 4.4Å
152G98.4Very high97.1Very high0 Ų021 Ų210%014%0.137CC..EExtended strand (participates in β ladder)trans162.7176.8-179.600000111.8V167 L295 N298G152-V167 PolarHBondContact N-O 2.8Å; G152-V167 PolarHBondContact O-N 3.11Å; G152-V167 VanDerWaalsContact O-O 3.05Å; G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.42Å; G152-N298 CarbonylContact C-O 3.57Å; G152-N298 VanDerWaalsContact CA-O 3.29Å; G152-N298 WeakPolarHBondContact CA-O 3.47Å
153I98.7Very high97.1Very high1 Ų121 Ų211%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-110.1137.4169.1-173.1167.9000108.9N164 S283 I284 N298 N299 V300I153-N164 HydrophobicContact CD1-CB 4.29Å; I153-S283 WeakPolarHBondContact CD1-OG 3.44Å; I153-I284 HydrophobicContact CD1-CD1 4.32Å; I153-I284 HydrophobicContact CD1-CG1 3.71Å; I153-I284 HydrophobicContact CG2-CD1 4.1Å; I153-I284 HydrophobicContact CG2-CG1 4.39Å; I153-N298 PolarHBondContact N-O 3.3Å; I153-N299 HydrophobicContact CG2-CB 4.08Å; I153-N299 VanDerWaalsContact CG2-CG 3.49Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.11Å; I153-N299 CarbonylContact O-C 3.59Å; I153-N299 WeakPolarHBondContact O-CA 3.5Å; I153-V300 PolarHBondContact O-N 2.81Å
154V98.8Very high97.2Very high0 Ų021.2 Ų21.20%014%0.138CC..EExtended strand (participates in β ladder)trans-112.4121-179.9-174.60000109.3A140 L144 D156 N164 V165 V300A140-V154 HydrophobicContact CB-CB 4.01Å; A140-V154 HydrophobicContact CB-CG1 4.11Å; A140-V154 WeakPolarHBondContact O-CG2 3.26Å; L144-V154 HydrophobicContact CB-CG2 3.98Å; L144-V154 HydrophobicContact CD1-CG2 4.01Å; L144-V154 HydrophobicContact CG-CG2 4.49Å; V154-D156 HydrophobicContact CG1-CB 4.27Å; V154-N164 CarbonylContact O-C 3.53Å; V154-N164 WeakPolarHBondContact O-CA 3.49Å; V154-V165 PolarHBondContact N-O 3.04Å; V154-V165 PolarHBondContact O-N 3.17Å; V154-V300 CarbonylContact C-O 3.57Å; V154-V300 WeakPolarHBondContact CA-O 3.04Å; V154-V300 HydrophobicContact CG2-CB 4.35Å
155L98.8Very high97.3Very high4 Ų421.2 Ų21.22%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-88.699.6162.4173.660.4000107.5T162 H163 I276 V300 L301 S302 T306 M315L155-T162 HydrophobicContact CD1-CG2 3.45Å; L155-T162 VanDerWaalsContact CD1-CG2 3.45Å; L155-H163 CarbonylContact C-O 3.54Å; L155-H163 WeakPolarHBondContact CA-O 3.22Å; L155-I276 HydrophobicContact CD1-CB 4.26Å; L155-I276 HydrophobicContact CD1-CG2 4.34Å; L155-I276 HydrophobicContact CD2-CB 4.13Å; L155-I276 HydrophobicContact CD2-CD1 3.81Å; L155-I276 HydrophobicContact CD2-CG1 4.42Å; L155-V300 PolarHBondContact N-O 3.06Å; L155-L301 HydrophobicContact CB-CD2 3.89Å; L155-L301 HydrophobicContact CD2-CD2 3.92Å; L155-L301 HydrophobicContact CG-CD2 4.32Å; L155-S302 PolarHBondContact O-N 2.8Å; L155-T306 HydrophobicContact CG-CG2 4.37Å; L155-M315 HydrophobicContact CD2-CE 3.71Å; L155-M315 HydrophobicContact CD2-SD 4.22Å
156D98.4Very high97.4Very high10 Ų1018.3 Ų18.35%0.05313%0.127CC..EExtended strand (participates in β ladder)trans-101.3110.1175.1-175.622.3000109.6V154 T162 H163 S302V154-D156 HydrophobicContact CG1-CB 4.27Å; D156-T162 CarbonylContact O-C 3.58Å; D156-T162 WeakPolarHBondContact O-CA 3.22Å; D156-H163 PolarHBondContact N-O 2.65Å; D156-H163 PolarHBondContact O-N 2.75Å; D156-S302 WeakPolarHBondContact CA-O 3.47Å
157A98.5Very high97.6Very high4 Ų417.1 Ų17.13%0.03312%0.117CC..EExtended strand (participates in β ladder)trans-120.7104.3-179.700000110.6T162 S302 G303 G304 T305 T306A157-T162 HydrophobicContact CB-CG2 3.85Å; A157-T162 WeakPolarHBondContact CB-OG1 3.31Å; A157-S302 PolarHBondContact N-O 2.99Å; A157-G303 CarbonylContact O-C 3.56Å; A157-G303 WeakPolarHBondContact O-CA 3.39Å; A157-G304 PolarHBondContact O-N 3.47Å; A157-T305 HydrophobicContact CB-CG2 4.05Å; A157-T305 WeakPolarHBondContact O-CB 3.21Å; A157-T305 PolarHBondContact O-N 3.25Å; A157-T306 HydrophobicContact CB-CG2 3.78Å
158G97.5Very high97.7Very high24 Ų2419.8 Ų19.825%0.24712%0.124CC..  trans-91.2-155.1-179.200000113.4V161 A183 G184 T305G158-V161 PolarHBondContact N-O 2.64Å; G158-A183 WeakPolarHBondContact O-CB 3.36Å; G158-G184 PolarHBondContact O-N 3.3Å; G158-T305 PolarHBondContact O-OG1 2.93Å
159D97.2Very high97.7Very high39 Ų3922 Ų2221%0.20912%0.115CC..SBendtrans-79.4-35.9171.1-176.160.4000112.1A183 G184 R185D159-A183 WeakPolarHBondContact O-CB 3.48Å; D159-G184 PolarHBondContact O-N 3.47Å; D159-G184 VanDerWaalsContact O-N 3.16Å; D159-R185 VanDerWaalsContact O-CB 3.3Å; D159-R185 WeakPolarHBondContact O-CB 3.12Å; D159-R185 PolarHBondContact O-N 3Å; D159-R185 PolarHBondContact OD1-N 3.14Å; D159-R185 IonicContact OD2-CZ 2.74Å; D159-R185 IonicContact OD2-NE 3.67Å; D159-R185 PolarHBondContact OD2-NE 2.97Å; D159-R185 IonicContact OD2-NH2 3.52Å; D159-R185 PolarHBondContact OD2-NH2 3.4Å
160G96.6Very high97.6Very high5 Ų519.5 Ų19.55%0.05211%0.109CC..SBendtrans-104.6-21.4-171.500000115.6H75 A183H75-G160 WeakPolarHBondContact CA-O 3.42Å; H75-G160 PolarHBondContact CD2-O 3.19Å; G160-A183 VanDerWaalsContact C-CB 3.44Å
161V97.6Very high97.6Very high9 Ų923.2 Ų23.26%0.05512%0.116CC..  trans-159.7153.8-174.260.30000111H75 G158 H163 R179H75-V161 HydrophobicContact CB-CB 4.32Å; G158-V161 PolarHBondContact N-O 2.64Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.42Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.36Å; V161-H163 WeakPolarHBondContact CG2-NE2 3.31Å; V161-R179 HydrophobicContact CG2-CG 3.97Å
162T98.5Very high97.5Very high1 Ų122.8 Ų22.81%0.00612%0.115CC..EExtended strand (participates in β ladder)trans-118.3134.9173.1-61.70000110.6L155 D156 A157 L180 L182 I276L155-T162 HydrophobicContact CD1-CG2 3.45Å; L155-T162 VanDerWaalsContact CD1-CG2 3.45Å; D156-T162 CarbonylContact O-C 3.58Å; D156-T162 WeakPolarHBondContact O-CA 3.22Å; A157-T162 HydrophobicContact CB-CG2 3.85Å; A157-T162 WeakPolarHBondContact CB-OG1 3.31Å; T162-L180 PolarHBondContact N-O 3.07Å; T162-L180 PolarHBondContact O-N 2.87Å; T162-L182 WeakPolarHBondContact CB-O 3.33Å; T162-L182 PolarHBondContact OG1-O 2.99Å; T162-I276 HydrophobicContact CG2-CG2 3.88Å
163H98.1Very high97.5Very high2 Ų224.4 Ų24.41%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-129.9140.9177.7-57.7103.7000111.6P111 L155 D156 V161 V165 M178P111-H163 HydrophobicContact CG-CB 3.92Å; P111-H163 VanDerWaalsContact CG-CD2 3.45Å; P111-H163 WeakPolarHBondContact CG-CD2 3.38Å; P111-H163 VanDerWaalsContact CG-CG 3.48Å; L155-H163 CarbonylContact C-O 3.54Å; L155-H163 WeakPolarHBondContact CA-O 3.22Å; D156-H163 PolarHBondContact N-O 2.65Å; D156-H163 PolarHBondContact O-N 2.75Å; V161-H163 WeakPolarHBondContact CG1-CE1 3.42Å; V161-H163 WeakPolarHBondContact CG2-CE1 3.36Å; V161-H163 WeakPolarHBondContact CG2-NE2 3.31Å; H163-V165 HydrophobicContact CB-CG2 3.88Å; H163-M178 CarbonylContact C-O 3.57Å; H163-M178 WeakPolarHBondContact CA-O 3.47Å
164N98.5Very high97.4Very high3 Ų328.4 Ų28.42%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-105.3114.5159.3-80.1-71.9000108.3I153 V154 I177 M178 I276 T279 A280I153-N164 HydrophobicContact CD1-CB 4.29Å; V154-N164 CarbonylContact O-C 3.53Å; V154-N164 WeakPolarHBondContact O-CA 3.49Å; N164-I177 WeakPolarHBondContact O-CA 3.32Å; N164-M178 HydrophobicContact CB-CB 4.23Å; N164-M178 PolarHBondContact N-O 3.29Å; N164-M178 PolarHBondContact O-N 3.16Å; N164-I276 PolarHBondContact ND2-O 3.43Å; N164-T279 PolarHBondContact ND2-OG1 3.02Å; N164-A280 PolarHBondContact ND2-N 3.08Å; N164-A280 WeakPolarHBondContact OD1-CB 3.41Å
165V98.6Very high97.3Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-119.6109.2-175.6-1750000109.3P111 A140 V154 H163 V167 A172 I177P111-V165 HydrophobicContact CB-CG2 4.08Å; P111-V165 HydrophobicContact CG-CG2 3.76Å; A140-V165 HydrophobicContact CB-CB 3.53Å; A140-V165 HydrophobicContact CB-CG1 3.91Å; A140-V165 HydrophobicContact CB-CG2 3.55Å; V154-V165 PolarHBondContact N-O 3.04Å; V154-V165 PolarHBondContact O-N 3.17Å; H163-V165 HydrophobicContact CB-CG2 3.88Å; V165-V167 HydrophobicContact CG1-CG2 4.12Å; V165-A172 HydrophobicContact CG1-CB 3.91Å; V165-I177 HydrophobicContact CG1-CD1 4.14Å; V165-I177 HydrophobicContact CG1-CG1 4.21Å; V165-I177 HydrophobicContact CG2-CG2 4.27Å
166P98.7Very high97.3Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans-78.5132.7171.528.2-24.3000109.4A172 L173 A176 S283 L295P166-A172 WeakPolarHBondContact O-CA 3.3Å; P166-L173 HydrophobicContact CB-CD1 4.29Å; P166-L173 HydrophobicContact CG-CB 4.17Å; P166-L173 PolarHBondContact O-N 3.09Å; P166-A176 HydrophobicContact CG-CB 3.55Å; P166-S283 VanDerWaalsContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CD-OG 3.39Å; P166-S283 WeakPolarHBondContact CG-OG 3.44Å; P166-L295 HydrophobicContact CB-CD1 4.11Å; P166-L295 HydrophobicContact CB-CD2 4.37Å
167V98.4Very high97.3Very high0 Ų034.1 Ų34.10%018%0.176CC..EExtended strand (participates in β ladder)trans-126.9133-177.9-1760000108.1V141 L144 T151 G152 V165 Y171V141-V167 HydrophobicContact CG2-CG1 4.36Å; V141-V167 HydrophobicContact CG2-CG2 4.01Å; L144-V167 HydrophobicContact CD2-CB 3.64Å; L144-V167 HydrophobicContact CD2-CG1 3.67Å; L144-V167 HydrophobicContact CD2-CG2 4.22Å; T151-V167 WeakPolarHBondContact CA-O 3.48Å; G152-V167 PolarHBondContact N-O 2.8Å; G152-V167 PolarHBondContact O-N 3.11Å; G152-V167 VanDerWaalsContact O-O 3.05Å; V165-V167 HydrophobicContact CG1-CG2 4.12Å; V167-Y171 CarbonylContact C-O 3.58Å; V167-Y171 VanDerWaalsContact CA-O 3.3Å; V167-Y171 WeakPolarHBondContact CA-O 3.46Å
168Y97.5Very high97.3Very high80 Ų8035.7 Ų35.731%0.31418%0.182SC..EExtended strand (participates in β ladder)trans-129.6123.5177.4-178-96.7000109.2T151 G170 Y171 I291T151-Y168 HydrophobicContact CG2-CD2 3.76Å; T151-Y168 HydrophobicContact CG2-CE2 4.37Å; Y168-G170 PolarHBondContact O-N 2.7Å; Y168-G170 VanDerWaalsContact O-N 3.12Å; Y168-Y171 PolarHBondContact N-O 3.27Å; Y168-Y171 PolarHBondContact O-N 2.88Å; Y168-I291 HydrophobicContact CD2-CB 4Å; Y168-I291 HydrophobicContact CD2-CD1 4.24Å; Y168-I291 HydrophobicContact CD2-CG2 3.57Å; Y168-I291 HydrophobicContact CE2-CB 4.21Å; Y168-I291 HydrophobicContact CE2-CG2 3.43Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.43Å; Y168-I291 HydrophobicContact CG-CD1 4.42Å; Y168-I291 HydrophobicContact CG-CG2 4.36Å
169E95.1Very high97.2Very high118 Ų11839.2 Ų39.255%0.55119%0.188SC*.THydrogen-bonded Turntrans50.736.9-179.6-66.3-179.9-175.700113.7T150 T151 Y171T150-E169 PolarHBondContact O-N 3.18Å; T150-E169 VanDerWaalsContact O-N 3.16Å; T151-E169 PolarHBondContact OG1-N 2.84Å; E169-Y171 VanDerWaalsContact C-N 3.35Å; E169-Y171 WeakPolarHBondContact O-CD2 3.4Å
170G93.2Very high97.1Very high11 Ų1137.7 Ų37.711%0.11318%0.18CC..THydrogen-bonded Turntrans87.9-7.3-179.700000115V141 T150 Y168V141-G170 WeakPolarHBondContact CG1-O 3.06Å; T150-G170 PolarHBondContact O-N 3.35Å; Y168-G170 PolarHBondContact O-N 2.7Å; Y168-G170 VanDerWaalsContact O-N 3.12Å
171Y94.4Very high97Very high153 Ų15340.5 Ų40.560%0.619%0.194SC*.EExtended strand (participates in β ladder)trans-101.5124.9-179.9-61.4-83.7000111.3V167 Y168 E169V167-Y171 CarbonylContact C-O 3.58Å; V167-Y171 VanDerWaalsContact CA-O 3.3Å; V167-Y171 WeakPolarHBondContact CA-O 3.46Å; Y168-Y171 PolarHBondContact N-O 3.27Å; Y168-Y171 PolarHBondContact O-N 2.88Å; E169-Y171 VanDerWaalsContact C-N 3.35Å; E169-Y171 WeakPolarHBondContact O-CD2 3.4Å
172A97Very high97Very high15 Ų1540.1 Ų40.112%0.12419%0.192CC..EExtended strand (participates in β ladder)trans-65.7144.2169.300000110.1I138 V141 V165 P166 P174I138-A172 HydrophobicContact CD1-CB 3.97Å; V141-A172 HydrophobicContact CG2-CB 4.01Å; V165-A172 HydrophobicContact CG1-CB 3.91Å; P166-A172 WeakPolarHBondContact O-CA 3.3Å; A172-P174 VanDerWaalsContact O-CD 3.25Å; A172-P174 WeakPolarHBondContact O-CD 3.31Å
173L97.5Very high97Very high33 Ų3340 Ų4017%0.17319%0.191CC..  trans-101.195.1179-54.1175.4000110.1P166 H175 A176 I177 I291P166-L173 HydrophobicContact CB-CD1 4.29Å; P166-L173 HydrophobicContact CG-CB 4.17Å; P166-L173 PolarHBondContact O-N 3.09Å; L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.02Å; L173-A176 HydrophobicContact CB-CB 4.49Å; L173-A176 PolarHBondContact O-N 3.35Å; L173-I177 PolarHBondContact O-N 2.64Å; L173-I291 HydrophobicContact CD1-CD1 3.53Å
174P96.5Very high97Very high85 Ų8540 Ų4055%0.55219%0.191SC*.G310 helixtrans-64-32.9-164-24.237000114.1A172 A176 I177A172-P174 VanDerWaalsContact O-CD 3.25Å; A172-P174 WeakPolarHBondContact O-CD 3.31Å; P174-A176 PolarHBondContact O-N 2.92Å; P174-I177 PolarHBondContact O-N 3.11Å
175H96.9Very high96.9Very high118 Ų11842.1 Ų42.155%0.54620%0.199SC..G310 helixtrans-66.7-19.8179.765.7-85.6000113.5L173L173-H175 VanDerWaalsContact C-N 3.3Å; L173-H175 PolarHBondContact O-N 3.02Å
176A98.2Very high96.9Very high0 Ų044.1 Ų44.10%021%0.21CC..G310 helixtrans-109.85.3-176.800000113.1P166 L173 P174 M178 S283 K286 C287P166-A176 HydrophobicContact CG-CB 3.55Å; L173-A176 HydrophobicContact CB-CB 4.49Å; L173-A176 PolarHBondContact O-N 3.35Å; P174-A176 PolarHBondContact O-N 2.92Å; A176-M178 PolarHBondContact O-N 3.14Å; A176-S283 WeakPolarHBondContact O-CB 3.41Å; A176-S283 PolarHBondContact O-OG 2.84Å; A176-K286 HydrophobicContact CB-CB 3.7Å; A176-C287 VanDerWaalsContact CB-SG 3.6Å
177I98.4Very high96.9Very high17 Ų1744.1 Ų44.19%0.08721%0.21CC..  trans-70.6130.9174.9-61.4-179.5000109.5P111 L112 N164 V165 L173 P174P111-I177 HydrophobicContact CB-CD1 3.75Å; P111-I177 HydrophobicContact CB-CG2 4.16Å; P111-I177 HydrophobicContact CG-CG2 4.27Å; L112-I177 HydrophobicContact CD1-CB 4.45Å; L112-I177 HydrophobicContact CD1-CG2 4.13Å; L112-I177 HydrophobicContact CD2-CD1 4.22Å; L112-I177 HydrophobicContact CG-CD1 4.4Å; L112-I177 HydrophobicContact CG-CG2 4.37Å; N164-I177 WeakPolarHBondContact O-CA 3.32Å; V165-I177 HydrophobicContact CG1-CD1 4.14Å; V165-I177 HydrophobicContact CG1-CG1 4.21Å; V165-I177 HydrophobicContact CG2-CG2 4.27Å; L173-I177 PolarHBondContact O-N 2.64Å; P174-I177 PolarHBondContact O-N 3.11Å
178M98Very high96.9Very high36 Ų3644.1 Ų44.118%0.17721%0.21CC..EExtended strand (participates in β ladder)trans-111.7125.1172.8-58.3-66.5-69.200108.6H163 N164 A176 T279 N282 K286H163-M178 CarbonylContact C-O 3.57Å; H163-M178 WeakPolarHBondContact CA-O 3.47Å; N164-M178 HydrophobicContact CB-CB 4.23Å; N164-M178 PolarHBondContact N-O 3.29Å; N164-M178 PolarHBondContact O-N 3.16Å; A176-M178 PolarHBondContact O-N 3.14Å; M178-T279 HydrophobicContact CE-CG2 4.33Å; M178-T279 WeakPolarHBondContact CG-O 3.39Å; M178-N282 HydrophobicContact CE-CB 4.21Å; M178-K286 HydrophobicContact SD-CD 4.19Å; M178-K286 PolarHBondContact SD-NZ 3.37Å
179R96Very high96.9Very high98 Ų9843.5 Ų43.537%0.3721%0.212SC..EExtended strand (participates in β ladder)trans-111138.6178.2175.4172.5165.5171.5-2.5109.7V161 D181V161-R179 HydrophobicContact CG2-CG 3.97Å; R179-D181 IonicContact CZ-OD1 3.55Å; R179-D181 VanDerWaalsContact CZ-OD1 3.25Å; R179-D181 IonicContact NE-OD1 3.65Å; R179-D181 PolarHBondContact NE-OD1 3.48Å; R179-D181 IonicContact NE-OD2 2.78Å; R179-D181 IonicContact NH2-OD1 3.41Å; R179-D181 PolarHBondContact NH2-OD1 2.98Å; R179-D181 IonicContact NH2-OD2 3.41Å; R179-D181 PolarHBondContact NH2-OD2 3.45Å
180L95.7Very high97Very high7 Ų738.8 Ų38.84%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-132.9116.1174.4-176.270.4000108.4T162 L182 M271 I276T162-L180 PolarHBondContact N-O 3.07Å; T162-L180 PolarHBondContact O-N 2.87Å; L180-L182 HydrophobicContact CD1-CB 4.39Å; L180-L182 HydrophobicContact CD2-CB 3.8Å; L180-L182 HydrophobicContact CD2-CD2 4.15Å; L180-L182 HydrophobicContact CD2-CG 4.4Å; L180-L182 HydrophobicContact CG-CB 3.7Å; L180-L182 PolarHBondContact O-N 2.85Å; L180-M271 HydrophobicContact CD1-CE 4.26Å; L180-I276 HydrophobicContact CD2-CG2 4.28Å
181D94.8Very high97.3Very high65 Ų6538.2 Ų38.235%0.34818%0.184SC..SBendtrans-78.456173.7-68.1-19000109.9R179 M271R179-D181 IonicContact CZ-OD1 3.55Å; R179-D181 VanDerWaalsContact CZ-OD1 3.25Å; R179-D181 IonicContact NE-OD1 3.65Å; R179-D181 PolarHBondContact NE-OD1 3.48Å; R179-D181 IonicContact NE-OD2 2.78Å; R179-D181 IonicContact NH2-OD1 3.41Å; R179-D181 PolarHBondContact NH2-OD1 2.98Å; R179-D181 IonicContact NH2-OD2 3.41Å; R179-D181 PolarHBondContact NH2-OD2 3.45Å; D181-M271 WeakPolarHBondContact O-CE 3.38Å
182L97.5Very high97.5Very high0 Ų032.3 Ų32.30%016%0.162CC..  trans-139116.2174.6173.353.2000108T162 L180 D186 L187 T262 L263 P266 I269 M271T162-L182 WeakPolarHBondContact CB-O 3.33Å; T162-L182 PolarHBondContact OG1-O 2.99Å; L180-L182 HydrophobicContact CD1-CB 4.39Å; L180-L182 HydrophobicContact CD2-CB 3.8Å; L180-L182 HydrophobicContact CD2-CD2 4.15Å; L180-L182 HydrophobicContact CD2-CG 4.4Å; L180-L182 HydrophobicContact CG-CB 3.7Å; L180-L182 PolarHBondContact O-N 2.85Å; L182-D186 HydrophobicContact CD1-CB 3.62Å; L182-L187 HydrophobicContact CD1-CD2 4.25Å; L182-T262 VanDerWaalsContact CD2-O 3.22Å; L182-T262 WeakPolarHBondContact CD2-O 3.3Å; L182-L263 HydrophobicContact CG-CD2 4.32Å; L182-P266 HydrophobicContact CD2-CB 4.02Å; L182-P266 HydrophobicContact CD2-CG 4.03Å; L182-I269 HydrophobicContact CD1-CD1 3.41Å; L182-I269 VanDerWaalsContact CD1-CD1 3.41Å; L182-I269 HydrophobicContact CD2-CD1 4.09Å; L182-I269 HydrophobicContact CG-CD1 4.33Å; L182-M271 HydrophobicContact CB-CE 4.08Å; L182-M271 HydrophobicContact CB-SD 4.05Å; L182-M271 HydrophobicContact CD1-SD 4.37Å; L182-M271 HydrophobicContact CD2-SD 4.35Å; L182-M271 HydrophobicContact CG-SD 4.48Å
183A98Very high97.5Very high0 Ų037.2 Ų37.20%018%0.181CC..SBendtrans-156.1-165.2-174.400000112.3G158 D159 G160 R185 D186 L187G158-A183 WeakPolarHBondContact O-CB 3.36Å; D159-A183 WeakPolarHBondContact O-CB 3.48Å; G160-A183 VanDerWaalsContact C-CB 3.44Å; A183-R185 PolarHBondContact O-N 2.92Å; A183-R185 VanDerWaalsContact O-N 3.08Å; A183-D186 PolarHBondContact N-OD2 3.17Å; A183-D186 PolarHBondContact O-N 3.48Å; A183-D186 VanDerWaalsContact O-N 3.12Å; A183-L187 WeakPolarHBondContact O-CG 3.44Å; A183-L187 PolarHBondContact O-N 2.79Å
184G98.1Very high97.5Very high1 Ų135.7 Ų35.71%0.0117%0.172CC..Hα-helixtrans-49.5-40-173.400000114.1G158 D159 L187 T188 K215 T305G158-G184 PolarHBondContact O-N 3.3Å; D159-G184 PolarHBondContact O-N 3.47Å; D159-G184 VanDerWaalsContact O-N 3.16Å; G184-L187 PolarHBondContact O-N 3.43Å; G184-T188 PolarHBondContact O-N 3.48Å; G184-T188 PolarHBondContact O-OG1 3.21Å; G184-K215 PolarHBondContact O-NZ 2.93Å; G184-T305 WeakPolarHBondContact CA-OG1 3.36Å; G184-T305 PolarHBondContact N-OG1 3.46Å
185R97Very high97.6Very high47 Ų4731.6 Ų31.618%0.17715%0.146CC..Hα-helixtrans-63.5-49.7-179.1-168170.3-64.7179.24.7111.7S16 D159 A183 L187 T188 D189 R208S16-R185 PolarHBondContact O-NH2 2.92Å; S16-R185 VanDerWaalsContact O-NH2 3.14Å; D159-R185 VanDerWaalsContact O-CB 3.3Å; D159-R185 WeakPolarHBondContact O-CB 3.12Å; D159-R185 PolarHBondContact O-N 3Å; D159-R185 PolarHBondContact OD1-N 3.14Å; D159-R185 IonicContact OD2-CZ 2.74Å; D159-R185 IonicContact OD2-NE 3.67Å; D159-R185 PolarHBondContact OD2-NE 2.97Å; D159-R185 IonicContact OD2-NH2 3.52Å; D159-R185 PolarHBondContact OD2-NH2 3.4Å; A183-R185 PolarHBondContact O-N 2.92Å; A183-R185 VanDerWaalsContact O-N 3.08Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.14Å; R185-T188 WeakPolarHBondContact O-CB 3.29Å; R185-T188 PolarHBondContact O-N 2.91Å; R185-T188 VanDerWaalsContact O-N 3.14Å; R185-D189 PolarHBondContact O-N 3.4Å; R185-D189 VanDerWaalsContact O-N 3.11Å; R185-R208 PolarHBondContact O-NH2 2.62Å
186D97.9Very high97.6Very high42 Ų4229.1 Ų29.123%0.22514%0.139CC..Hα-helixtrans-65.1-37.2179.5-45.3-72.6000111.2L182 A183 T188 D189 Y190L182-D186 HydrophobicContact CD1-CB 3.62Å; A183-D186 PolarHBondContact N-OD2 3.17Å; A183-D186 PolarHBondContact O-N 3.48Å; A183-D186 VanDerWaalsContact O-N 3.12Å; D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 3.44Å; D186-D189 PolarHBondContact O-N 3.19Å; D186-Y190 WeakPolarHBondContact O-CB 3.35Å; D186-Y190 PolarHBondContact O-N 3.05Å
187L98.6Very high97.5Very high0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-63.3-38.3174.3-62-173.3000112L182 A183 G184 R185 L191 K215 C259 T262 L263 T305 Y308L182-L187 HydrophobicContact CD1-CD2 4.25Å; A183-L187 WeakPolarHBondContact O-CG 3.44Å; A183-L187 PolarHBondContact O-N 2.79Å; G184-L187 PolarHBondContact O-N 3.43Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.14Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 3.46Å; L187-K215 HydrophobicContact CB-CD 3.86Å; L187-C259 PolarHBondContact O-SG 3.24Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.29Å; L187-L263 HydrophobicContact CD1-CD1 4.1Å; L187-L263 HydrophobicContact CD1-CD2 4.22Å; L187-L263 HydrophobicContact CD1-CG 4.11Å; L187-L263 HydrophobicContact CD2-CD2 4.49Å; L187-L263 HydrophobicContact CD2-CG 4.36Å; L187-T305 HydrophobicContact CD1-CG2 3.8Å; L187-Y308 HydrophobicContact CD1-CE2 3.69Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.19Å
188T98.3Very high97.3Very high0 Ų037.6 Ų37.60%018%0.175CC..Hα-helixtrans-63.3-44.6173.9-59.50000110.6G184 R185 D186 L191 M192 R208 V211 R212 K215G184-T188 PolarHBondContact O-N 3.48Å; G184-T188 PolarHBondContact O-OG1 3.21Å; R185-T188 WeakPolarHBondContact O-CB 3.29Å; R185-T188 PolarHBondContact O-N 2.91Å; R185-T188 VanDerWaalsContact O-N 3.14Å; D186-T188 VanDerWaalsContact C-N 3.32Å; D186-T188 PolarHBondContact O-N 3.44Å; T188-L191 PolarHBondContact O-N 3.39Å; T188-M192 WeakPolarHBondContact O-CG 3.48Å; T188-M192 PolarHBondContact O-N 2.93Å; T188-R208 HydrophobicContact CG2-CG 3.97Å; T188-V211 HydrophobicContact CG2-CB 4.35Å; T188-V211 HydrophobicContact CG2-CG1 4.22Å; T188-R212 HydrophobicContact CG2-CB 4.01Å; T188-K215 PolarHBondContact OG1-NZ 3.07Å
189D97.4Very high97.2Very high68 Ų6838.7 Ų38.736%0.36420%0.196SC..Hα-helixtrans-68.4-38.4-178-63.1-27.9000111.6R185 D186 M192 K193 R208R185-D189 PolarHBondContact O-N 3.4Å; R185-D189 VanDerWaalsContact O-N 3.11Å; D186-D189 PolarHBondContact O-N 3.19Å; D189-M192 WeakPolarHBondContact O-CB 3.48Å; D189-M192 PolarHBondContact O-N 3.13Å; D189-K193 PolarHBondContact O-N 3.1Å; D189-R208 VanDerWaalsContact CG-NH2 3.3Å; D189-R208 IonicContact OD1-CZ 2.71Å; D189-R208 IonicContact OD1-NE 3.01Å; D189-R208 PolarHBondContact OD1-NE 3.06Å; D189-R208 IonicContact OD1-NH2 2.78Å; D189-R208 PolarHBondContact OD1-NH2 3.4Å; D189-R208 IonicContact OD2-NH2 3.55Å; D189-R208 PolarHBondContact OD2-NH2 3.06Å
190Y98.2Very high97.2Very high18 Ų1836.9 Ų36.97%0.07119%0.189CC..Hα-helixtrans-65.9-39.5172.3-179.9-123.5000112.2D186 M192 K193 I194 T262 I269D186-Y190 WeakPolarHBondContact O-CB 3.35Å; D186-Y190 PolarHBondContact O-N 3.05Å; Y190-M192 VanDerWaalsContact C-N 3.3Å; Y190-M192 PolarHBondContact O-N 3.46Å; Y190-K193 HydrophobicContact CD2-CD 4.35Å; Y190-K193 WeakPolarHBondContact O-CB 3.33Å; Y190-K193 PolarHBondContact O-N 3.4Å; Y190-K193 VanDerWaalsContact O-N 3.11Å; Y190-I194 HydrophobicContact CD1-CD1 4.39Å; Y190-I194 HydrophobicContact CD2-CG2 4.13Å; Y190-I194 HydrophobicContact CE1-CD1 4.08Å; Y190-I194 HydrophobicContact CE1-CG2 4.17Å; Y190-I194 HydrophobicContact CE2-CG2 3.52Å; Y190-I194 PolarHBondContact O-N 3.44Å; Y190-T262 HydrophobicContact CD1-CG2 3.37Å; Y190-T262 HydrophobicContact CE1-CG2 3.29Å; Y190-T262 HydrophobicContact CG-CG2 4.16Å; Y190-I269 HydrophobicContact CD1-CG2 4.09Å; Y190-I269 HydrophobicContact CD2-CG2 3.38Å; Y190-I269 HydrophobicContact CE1-CG2 4.48Å; Y190-I269 HydrophobicContact CE2-CG2 3.85Å; Y190-I269 HydrophobicContact CG-CG2 3.5Å
191L98.6Very high97.2Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-61.2-40.5174.7-174.359.3000111.3L187 T188 K193 I194 L195 V211 I214 K215 E255 C259L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 3.46Å; T188-L191 PolarHBondContact O-N 3.39Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 3.02Å; L191-I194 HydrophobicContact CD1-CD1 3.97Å; L191-I194 HydrophobicContact CD1-CG1 3.99Å; L191-I194 WeakPolarHBondContact O-CG1 3.49Å; L191-I194 PolarHBondContact O-N 3.1Å; L191-L195 HydrophobicContact CD1-CD1 4.19Å; L191-L195 HydrophobicContact CD1-CD2 4.44Å; L191-L195 HydrophobicContact CD1-CG 3.99Å; L191-L195 HydrophobicContact CD2-CD1 4.46Å; L191-L195 HydrophobicContact CG-CD1 3.84Å; L191-L195 HydrophobicContact CG-CG 4.13Å; L191-L195 VanDerWaalsContact O-CB 3.31Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 3.47Å; L191-V211 HydrophobicContact CB-CG1 3.79Å; L191-V211 HydrophobicContact CD2-CG1 3.72Å; L191-V211 HydrophobicContact CG-CG1 3.66Å; L191-I214 HydrophobicContact CD2-CG2 4.12Å; L191-K215 HydrophobicContact CD2-CB 3.62Å; L191-K215 HydrophobicContact CD2-CG 4.23Å; L191-E255 HydrophobicContact CD1-CB 3.91Å; L191-C259 HydrophobicContact CB-CB 4.35Å; L191-C259 HydrophobicContact CD1-CB 4.03Å
192M98.2Very high97.2Very high28 Ų2837.8 Ų37.814%0.13820%0.199CC..Hα-helixtrans-56.9-42.8173.8-67.7174.167.600111.6T188 D189 Y190 T196 F202 R208 V211T188-M192 WeakPolarHBondContact O-CG 3.48Å; T188-M192 PolarHBondContact O-N 2.93Å; D189-M192 WeakPolarHBondContact O-CB 3.48Å; D189-M192 PolarHBondContact O-N 3.13Å; Y190-M192 VanDerWaalsContact C-N 3.3Å; Y190-M192 PolarHBondContact O-N 3.46Å; M192-T196 PolarHBondContact O-N 3.17Å; M192-T196 PolarHBondContact O-OG1 3.36Å; M192-F202 HydrophobicContact CE-CB 4.14Å; M192-F202 WeakPolarHBondContact CE-O 3.36Å; M192-R208 HydrophobicContact CE-CB 4.3Å; M192-R208 HydrophobicContact SD-CB 3.91Å; M192-R208 HydrophobicContact SD-CG 3.68Å; M192-V211 HydrophobicContact CG-CB 3.84Å; M192-V211 HydrophobicContact CG-CG1 3.67Å; M192-V211 HydrophobicContact CG-CG2 3.82Å
193K97.6Very high97Very high119 Ų11943.2 Ų43.252%0.51723%0.232SC..Hα-helixtrans-62.1-52.7178.2-179.1-174.6172.9-173.50111.7D189 Y190 L191 L195 T196 E197D189-K193 PolarHBondContact O-N 3.1Å; Y190-K193 HydrophobicContact CD2-CD 4.35Å; Y190-K193 WeakPolarHBondContact O-CB 3.33Å; Y190-K193 PolarHBondContact O-N 3.4Å; Y190-K193 VanDerWaalsContact O-N 3.11Å; L191-K193 VanDerWaalsContact C-N 3.27Å; L191-K193 PolarHBondContact O-N 3.02Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 2.84Å; K193-T196 WeakPolarHBondContact O-CA 3.32Å; K193-T196 VanDerWaalsContact O-CB 3.32Å; K193-T196 WeakPolarHBondContact O-CB 3.32Å; K193-T196 PolarHBondContact O-N 2.81Å; K193-T196 VanDerWaalsContact O-N 3.08Å; K193-E197 PolarHBondContact O-N 2.74Å
194I97.8Very high96.8Very high0 Ų046.5 Ų46.50%025%0.252CS..Hα-helixtrans-73.6-24.4-176.665.3-177.1000112.8Y190 L191 T196 E197 R198 E255 R258 C259Y190-I194 HydrophobicContact CD1-CD1 4.39Å; Y190-I194 HydrophobicContact CD2-CG2 4.13Å; Y190-I194 HydrophobicContact CE1-CD1 4.08Å; Y190-I194 HydrophobicContact CE1-CG2 4.17Å; Y190-I194 HydrophobicContact CE2-CG2 3.52Å; Y190-I194 PolarHBondContact O-N 3.44Å; L191-I194 HydrophobicContact CD1-CD1 3.97Å; L191-I194 HydrophobicContact CD1-CG1 3.99Å; L191-I194 WeakPolarHBondContact O-CG1 3.49Å; L191-I194 PolarHBondContact O-N 3.1Å; I194-T196 VanDerWaalsContact C-N 3.34Å; I194-E197 WeakPolarHBondContact O-CB 3.41Å; I194-E197 PolarHBondContact O-N 3.01Å; I194-R198 PolarHBondContact O-N 3.11Å; I194-E255 HydrophobicContact CB-CG 4.16Å; I194-E255 HydrophobicContact CD1-CB 3.67Å; I194-E255 HydrophobicContact CD1-CG 4.01Å; I194-E255 HydrophobicContact CG1-CB 3.87Å; I194-E255 HydrophobicContact CG1-CG 3.78Å; I194-R258 HydrophobicContact CD1-CB 4.2Å; I194-C259 HydrophobicContact CD1-CB 4.09Å
195L98.3Very high96.4Very high0 Ų050 Ų500%027%0.273CS..Hα-helixtrans-67.7-36.3167.2-71.5175.2000111.6L191 K193 R198 G199 Y200 F202 V211 I214 I252 E255L191-L195 HydrophobicContact CD1-CD1 4.19Å; L191-L195 HydrophobicContact CD1-CD2 4.44Å; L191-L195 HydrophobicContact CD1-CG 3.99Å; L191-L195 HydrophobicContact CD2-CD1 4.46Å; L191-L195 HydrophobicContact CG-CD1 3.84Å; L191-L195 HydrophobicContact CG-CG 4.13Å; L191-L195 VanDerWaalsContact O-CB 3.31Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 3.47Å; K193-L195 VanDerWaalsContact C-N 3.33Å; K193-L195 PolarHBondContact O-N 2.84Å; L195-R198 WeakPolarHBondContact O-CB 3.48Å; L195-R198 PolarHBondContact O-N 3.2Å; L195-G199 PolarHBondContact O-N 2.77Å; L195-Y200 CarbonylContact C-O 3.54Å; L195-Y200 PolarHBondContact O-N 3.07Å; L195-F202 HydrophobicContact CB-CD2 4.35Å; L195-F202 HydrophobicContact CB-CE2 4.24Å; L195-F202 HydrophobicContact CD1-CD2 4.19Å; L195-F202 HydrophobicContact CD1-CE2 3.84Å; L195-V211 HydrophobicContact CD1-CG1 3.99Å; L195-V211 HydrophobicContact CD1-CG2 4.08Å; L195-I214 HydrophobicContact CD1-CD1 4.38Å; L195-I252 HydrophobicContact CD2-CD1 3.73Å; L195-I252 HydrophobicContact CD2-CG2 4.17Å; L195-E255 HydrophobicContact CD2-CB 4.4Å; L195-E255 HydrophobicContact CD2-CG 4.31Å
196T97.7Very high96.1Very high65 Ų6550.4 Ų50.440%0.39929%0.287SS..Hα-helixtrans-65.7-38.9174.1-57.90000111.2M192 K193 I194 R198 G199 Y200M192-T196 PolarHBondContact O-N 3.17Å; M192-T196 PolarHBondContact O-OG1 3.36Å; K193-T196 WeakPolarHBondContact O-CA 3.32Å; K193-T196 VanDerWaalsContact O-CB 3.32Å; K193-T196 WeakPolarHBondContact O-CB 3.32Å; K193-T196 PolarHBondContact O-N 2.81Å; K193-T196 VanDerWaalsContact O-N 3.08Å; I194-T196 VanDerWaalsContact C-N 3.34Å; T196-R198 PolarHBondContact O-N 2.81Å; T196-G199 WeakPolarHBondContact O-CA 3.43Å; T196-G199 PolarHBondContact O-N 3.03Å; T196-Y200 VanDerWaalsContact CA-O 3.3Å; T196-Y200 WeakPolarHBondContact CA-O 3.42Å; T196-Y200 PolarHBondContact N-O 3.37Å; T196-Y200 VanDerWaalsContact N-O 3.17Å
197E95.5Very high95.9Very high111 Ų11151.1 Ų51.152%0.51929%0.289SS..Hα-helixtrans-57.4-35.3172.5-66.9168.5-169.500112.1K193 I194 G199 R258K193-E197 PolarHBondContact O-N 2.74Å; I194-E197 WeakPolarHBondContact O-CB 3.41Å; I194-E197 PolarHBondContact O-N 3.01Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-R258 IonicContact OE2-CZ 2.84Å; E197-R258 IonicContact OE2-NH1 3.98Å; E197-R258 IonicContact OE2-NH2 3.92Å; E197-R258 PolarHBondContact OE2-NH2 3.4Å
198R93.8Very high95.8Very high84 Ų8452.9 Ų52.932%0.31730%0.295SS..Hα-helixtrans-75.7-15.6174.9-163.6-178.8-175.787.94.4113.5I194 L195 T196 Y200 E239 T251 E255I194-R198 PolarHBondContact O-N 3.11Å; L195-R198 WeakPolarHBondContact O-CB 3.48Å; L195-R198 PolarHBondContact O-N 3.2Å; T196-R198 PolarHBondContact O-N 2.81Å; R198-Y200 HydrophobicContact CG-CD2 4.46Å; R198-Y200 HydrophobicContact CG-CE2 4.32Å; R198-E239 IonicContact CZ-OE1 2.75Å; R198-E239 IonicContact NH2-OE1 3.64Å; R198-E239 PolarHBondContact NH2-OE1 3.18Å; R198-T251 WeakPolarHBondContact CD-O 3.44Å; R198-T251 PolarHBondContact NE-O 2.9Å; R198-E255 WeakPolarHBondContact CD-OE1 3.47Å; R198-E255 IonicContact NH1-OE1 3.04Å; R198-E255 PolarHBondContact NH1-OE1 3.24Å; R198-E255 VanDerWaalsContact NH1-OE1 3.16Å; R198-E255 IonicContact NH1-OE2 2.63Å; R198-E255 PolarHBondContact NH1-OE2 2.88Å
199G96.5Very high95.6Very high60 Ų6054.4 Ų54.462%0.61930%0.303SS*.THydrogen-bonded Turntrans107.15.7-179.200000115.3L195 T196 E197L195-G199 PolarHBondContact O-N 2.77Å; T196-G199 WeakPolarHBondContact O-CA 3.43Å; T196-G199 PolarHBondContact O-N 3.03Å; E197-G199 VanDerWaalsContact C-N 3.3Å
200Y96.3Very high95.6Very high60 Ų6052.7 Ų52.724%0.23529%0.293CS..  trans-103103.8174.2-55.5-56000110.5L195 T196 R198 I250 T251L195-Y200 CarbonylContact C-O 3.54Å; L195-Y200 PolarHBondContact O-N 3.07Å; T196-Y200 VanDerWaalsContact CA-O 3.3Å; T196-Y200 WeakPolarHBondContact CA-O 3.42Å; T196-Y200 PolarHBondContact N-O 3.37Å; T196-Y200 VanDerWaalsContact N-O 3.17Å; R198-Y200 HydrophobicContact CG-CD2 4.46Å; R198-Y200 HydrophobicContact CG-CE2 4.32Å; Y200-I250 HydrophobicContact CD1-CB 4.28Å; Y200-I250 HydrophobicContact CD1-CG2 3.8Å; Y200-I250 HydrophobicContact CD2-CB 4.35Å; Y200-I250 HydrophobicContact CD2-CD1 4.48Å; Y200-I250 HydrophobicContact CE1-CB 3.87Å; Y200-I250 HydrophobicContact CE1-CG2 3.54Å; Y200-I250 HydrophobicContact CE2-CB 3.94Å; Y200-I250 HydrophobicContact CE2-CG2 4.48Å; Y200-I250 HydrophobicContact CG-CG2 4.38Å; Y200-T251 WeakPolarHBondContact CE2-O 3.41Å; Y200-T251 PolarHBondContact OH-N 2.93Å
201S95.1Very high95.6Very high74 Ų7451.8 Ų51.852%0.51729%0.29SS..  trans-92.5125.9-178.9-165.10000111.4
202F95.7Very high95.6Very high16 Ų1655.2 Ų55.27%0.0730%0.303CS..  trans-121.3117.1173.7-63.3-81.7000106.8M192 L195 E207 I210 V211 I214 L244 I250M192-F202 HydrophobicContact CE-CB 4.14Å; M192-F202 WeakPolarHBondContact CE-O 3.36Å; L195-F202 HydrophobicContact CB-CD2 4.35Å; L195-F202 HydrophobicContact CB-CE2 4.24Å; L195-F202 HydrophobicContact CD1-CD2 4.19Å; L195-F202 HydrophobicContact CD1-CE2 3.84Å; F202-E207 HydrophobicContact CB-CB 3.91Å; F202-E207 HydrophobicContact CD1-CB 3.83Å; F202-E207 HydrophobicContact CD1-CG 4.1Å; F202-E207 HydrophobicContact CG-CB 4.36Å; F202-I210 HydrophobicContact CE1-CG2 4.36Å; F202-V211 HydrophobicContact CB-CG2 3.82Å; F202-V211 HydrophobicContact CD1-CG2 3.95Å; F202-V211 HydrophobicContact CD2-CG2 3.51Å; F202-V211 HydrophobicContact CE1-CG2 4.38Å; F202-V211 HydrophobicContact CE2-CG2 4Å; F202-V211 HydrophobicContact CG-CG2 3.47Å; F202-V211 VanDerWaalsContact CG-CG2 3.47Å; F202-V211 HydrophobicContact CZ-CG2 4.4Å; F202-I214 HydrophobicContact CZ-CD1 4.43Å; F202-L244 HydrophobicContact CE1-CD2 4.02Å; F202-L244 HydrophobicContact CZ-CD2 4.12Å; F202-I250 HydrophobicContact CZ-CD1 3.95Å
203V93.4Very high95.6Very high115 Ų11555.7 Ų55.770%0.69731%0.306SS*.  trans-123.5-25.7-170.2-64.90000113.1E207V203-E207 PolarHBondContact N-OE2 2.89Å
204T92.4Very high95.7Very high68 Ų6850 Ų5042%0.41728%0.281SS..SBendtrans-88160.4-178.670.40000111.9A206 E207 R208T204-A206 PolarHBondContact O-N 2.89Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.32Å; T204-E207 PolarHBondContact O-N 2.92Å; T204-E207 WeakPolarHBondContact OG1-CB 3.17Å; T204-E207 VanDerWaalsContact OG1-CD 3.27Å; T204-E207 VanDerWaalsContact OG1-CG 3.22Å; T204-E207 WeakPolarHBondContact OG1-CG 3.23Å; T204-E207 PolarHBondContact OG1-N 2.71Å; T204-E207 VanDerWaalsContact OG1-N 3.14Å; T204-E207 PolarHBondContact OG1-OE2 3Å; T204-R208 PolarHBondContact O-N 3.3Å
205T89.5Confident95.7Very high74 Ų7450.4 Ų50.445%0.45428%0.282SS..THydrogen-bonded Turntrans-69.5-17.2175.959.40000113.7R64R64-T205 PolarHBondContact NH1-O 2.98Å
206A91.3Very high95.7Very high56 Ų5655.9 Ų55.946%0.46331%0.308SS..THydrogen-bonded Turntrans-80.2-44.4172.300000110.6T204 R208 E209 I210T204-A206 PolarHBondContact O-N 2.89Å; A206-R208 PolarHBondContact O-N 3.07Å; A206-E209 WeakPolarHBondContact O-CB 3.46Å; A206-E209 PolarHBondContact O-N 2.96Å; A206-I210 PolarHBondContact O-N 3.37Å
207E95Very high95.7Very high58 Ų5859.2 Ų59.227%0.27132%0.317SS..Hα-helixtrans-60.2-34.8173.5-78.1166.116800112.4F202 V203 T204 E209 I210 V211F202-E207 HydrophobicContact CB-CB 3.91Å; F202-E207 HydrophobicContact CD1-CB 3.83Å; F202-E207 HydrophobicContact CD1-CG 4.1Å; F202-E207 HydrophobicContact CG-CB 4.36Å; V203-E207 PolarHBondContact N-OE2 2.89Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.32Å; T204-E207 PolarHBondContact O-N 2.92Å; T204-E207 WeakPolarHBondContact OG1-CB 3.17Å; T204-E207 VanDerWaalsContact OG1-CD 3.27Å; T204-E207 VanDerWaalsContact OG1-CG 3.22Å; T204-E207 WeakPolarHBondContact OG1-CG 3.23Å; T204-E207 PolarHBondContact OG1-N 2.71Å; T204-E207 VanDerWaalsContact OG1-N 3.14Å; T204-E207 PolarHBondContact OG1-OE2 3Å; E207-E209 PolarHBondContact O-N 3.37Å; E207-I210 WeakPolarHBondContact O-CA 3.34Å; E207-I210 VanDerWaalsContact O-CB 3.29Å; E207-I210 WeakPolarHBondContact O-CB 3.44Å; E207-I210 PolarHBondContact O-N 2.95Å; E207-V211 PolarHBondContact O-N 3.35Å
208R95.4Very high95.9Very high36 Ų3655.2 Ų55.214%0.13630%0.299CS..Hα-helixtrans-55.7-34.8171.4-176.5176.1-169.7-71.4-8113.3R185 T188 D189 M192 T204 A206 V211 R212R185-R208 PolarHBondContact O-NH2 2.62Å; T188-R208 HydrophobicContact CG2-CG 3.97Å; D189-R208 VanDerWaalsContact CG-NH2 3.3Å; D189-R208 IonicContact OD1-CZ 2.71Å; D189-R208 IonicContact OD1-NE 3.01Å; D189-R208 PolarHBondContact OD1-NE 3.06Å; D189-R208 IonicContact OD1-NH2 2.78Å; D189-R208 PolarHBondContact OD1-NH2 3.4Å; D189-R208 IonicContact OD2-NH2 3.55Å; D189-R208 PolarHBondContact OD2-NH2 3.06Å; M192-R208 HydrophobicContact CE-CB 4.3Å; M192-R208 HydrophobicContact SD-CB 3.91Å; M192-R208 HydrophobicContact SD-CG 3.68Å; T204-R208 PolarHBondContact O-N 3.3Å; A206-R208 PolarHBondContact O-N 3.07Å; R208-V211 PolarHBondContact O-N 2.84Å; R208-R212 PolarHBondContact O-N 3.41Å
209E95Very high96.1Very high33 Ų3351.4 Ų51.415%0.15429%0.285CS..Hα-helixtrans-72.5-32.5176.8-64.9-64.2150.600112.2Q61 R64 A206 E207 V211 R212 D213Q61-E209 VanDerWaalsContact NE2-CG 3.33Å; Q61-E209 PolarHBondContact NE2-OE1 2.8Å; Q61-E209 PolarHBondContact NE2-OE2 3.24Å; R64-E209 IonicContact CZ-OE1 2.75Å; R64-E209 IonicContact NH2-OE1 2.99Å; R64-E209 PolarHBondContact NH2-OE1 2.88Å; A206-E209 WeakPolarHBondContact O-CB 3.46Å; A206-E209 PolarHBondContact O-N 2.96Å; E207-E209 PolarHBondContact O-N 3.37Å; E209-V211 VanDerWaalsContact C-N 3.31Å; E209-R212 PolarHBondContact O-N 2.75Å; E209-R212 IonicContact OE2-CZ 3.18Å; E209-R212 IonicContact OE2-NE 2.73Å; E209-R212 PolarHBondContact OE2-NE 3.3Å; E209-R212 IonicContact OE2-NH2 3.21Å; E209-R212 PolarHBondContact OE2-NH2 3.08Å; E209-D213 PolarHBondContact O-N 3.34Å
210I97.1Very high96.2Very high31 Ų3150.1 Ų50.116%0.15926%0.262CS..Hα-helixtrans-61.8-45.5170.7-55173.2000109F202 A206 E207 R212 D213 I214 Y242 L244 P245F202-I210 HydrophobicContact CE1-CG2 4.36Å; A206-I210 PolarHBondContact O-N 3.37Å; E207-I210 WeakPolarHBondContact O-CA 3.34Å; E207-I210 VanDerWaalsContact O-CB 3.29Å; E207-I210 WeakPolarHBondContact O-CB 3.44Å; E207-I210 PolarHBondContact O-N 2.95Å; I210-R212 VanDerWaalsContact C-N 3.33Å; I210-R212 PolarHBondContact O-N 3.09Å; I210-D213 PolarHBondContact O-N 3.36Å; I210-D213 VanDerWaalsContact O-N 3.13Å; I210-I214 HydrophobicContact CG2-CD1 4.15Å; I210-I214 WeakPolarHBondContact O-CG1 3.38Å; I210-I214 PolarHBondContact O-N 3.48Å; I210-Y242 HydrophobicContact CG2-CE1 3.84Å; I210-L244 HydrophobicContact CG2-CD2 3.68Å; I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.17Å
211V98.4Very high96.3Very high0 Ų047.4 Ų47.40%025%0.252CS..Hα-helixtrans-65.1-36.7178-179.30000112.2T188 L191 M192 L195 F202 E207 R208 E209 D213 I214 K215T188-V211 HydrophobicContact CG2-CB 4.35Å; T188-V211 HydrophobicContact CG2-CG1 4.22Å; L191-V211 HydrophobicContact CB-CG1 3.79Å; L191-V211 HydrophobicContact CD2-CG1 3.72Å; L191-V211 HydrophobicContact CG-CG1 3.66Å; M192-V211 HydrophobicContact CG-CB 3.84Å; M192-V211 HydrophobicContact CG-CG1 3.67Å; M192-V211 HydrophobicContact CG-CG2 3.82Å; L195-V211 HydrophobicContact CD1-CG1 3.99Å; L195-V211 HydrophobicContact CD1-CG2 4.08Å; F202-V211 HydrophobicContact CB-CG2 3.82Å; F202-V211 HydrophobicContact CD1-CG2 3.95Å; F202-V211 HydrophobicContact CD2-CG2 3.51Å; F202-V211 HydrophobicContact CE1-CG2 4.38Å; F202-V211 HydrophobicContact CE2-CG2 4Å; F202-V211 HydrophobicContact CG-CG2 3.47Å; F202-V211 VanDerWaalsContact CG-CG2 3.47Å; F202-V211 HydrophobicContact CZ-CG2 4.4Å; E207-V211 PolarHBondContact O-N 3.35Å; R208-V211 PolarHBondContact O-N 2.84Å; E209-V211 VanDerWaalsContact C-N 3.31Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 PolarHBondContact O-N 2.81Å; V211-I214 PolarHBondContact O-N 2.78Å; V211-K215 WeakPolarHBondContact O-CB 3.38Å; V211-K215 PolarHBondContact O-N 3.41Å
212R97.9Very high96.5Very high72 Ų7244 Ų4427%0.27223%0.228SC..Hα-helixtrans-60.3-43171.4-173.2-171.761.871.25.5111.5T188 R208 E209 I210 K215 E216T188-R212 HydrophobicContact CG2-CB 4.01Å; R208-R212 PolarHBondContact O-N 3.41Å; E209-R212 PolarHBondContact O-N 2.75Å; E209-R212 IonicContact OE2-CZ 3.18Å; E209-R212 IonicContact OE2-NE 2.73Å; E209-R212 PolarHBondContact OE2-NE 3.3Å; E209-R212 IonicContact OE2-NH2 3.21Å; E209-R212 PolarHBondContact OE2-NH2 3.08Å; I210-R212 VanDerWaalsContact C-N 3.33Å; I210-R212 PolarHBondContact O-N 3.09Å; R212-K215 WeakPolarHBondContact O-CB 3.44Å; R212-K215 PolarHBondContact O-N 3.17Å; R212-E216 WeakPolarHBondContact CG-OE1 3.47Å; R212-E216 IonicContact CZ-OE1 2.81Å; R212-E216 IonicContact NH1-OE1 2.76Å; R212-E216 PolarHBondContact NH1-OE1 2.85Å; R212-E216 IonicContact NH1-OE2 2.82Å; R212-E216 PolarHBondContact NH1-OE2 3.26Å; R212-E216 WeakPolarHBondContact O-CG 3.39Å; R212-E216 PolarHBondContact O-N 3.09Å
213D98.1Very high96.6Very high38 Ų3847.8 Ų47.820%0.20325%0.249CC..Hα-helixtrans-67.3-41.1177.8-175.475.1000112.3E209 I210 V211 K215 E216 K217 Y242E209-D213 PolarHBondContact O-N 3.34Å; I210-D213 PolarHBondContact O-N 3.36Å; I210-D213 VanDerWaalsContact O-N 3.13Å; V211-D213 VanDerWaalsContact C-N 3.34Å; V211-D213 PolarHBondContact O-N 2.81Å; D213-K215 VanDerWaalsContact C-N 3.29Å; D213-K215 PolarHBondContact O-N 2.93Å; D213-E216 PolarHBondContact O-N 2.96Å; D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.29Å; D213-K217 WeakPolarHBondContact O-CG 3.35Å; D213-K217 PolarHBondContact O-N 3.01Å; D213-K217 WeakPolarHBondContact OD1-CE 3.24Å; D213-K217 IonicContact OD1-NZ 3.2Å; D213-K217 PolarHBondContact OD1-NZ 2.76Å; D213-K217 WeakPolarHBondContact OD2-CD 3.13Å; D213-K217 VanDerWaalsContact OD2-CE 3.31Å; D213-K217 WeakPolarHBondContact OD2-CE 3.18Å; D213-K217 IonicContact OD2-NZ 3.39Å; D213-K217 PolarHBondContact OD2-NZ 2.89Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.28Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.45Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.31Å; D213-Y242 PolarHBondContact OD2-OH 3.14Å
214I98.7Very high96.9Very high0 Ų045.5 Ų45.50%023%0.232CC..Hα-helixtrans-56-47.4170.9-68.6167.7000110.1L191 L195 F202 I210 V211 K217 L218 Y242 I250 I252L191-I214 HydrophobicContact CD2-CG2 4.12Å; L195-I214 HydrophobicContact CD1-CD1 4.38Å; F202-I214 HydrophobicContact CZ-CD1 4.43Å; I210-I214 HydrophobicContact CG2-CD1 4.15Å; I210-I214 WeakPolarHBondContact O-CG1 3.38Å; I210-I214 PolarHBondContact O-N 3.48Å; V211-I214 PolarHBondContact O-N 2.78Å; I214-K217 PolarHBondContact O-N 2.82Å; I214-L218 HydrophobicContact CG2-CD1 4.35Å; I214-L218 WeakPolarHBondContact O-CB 3.34Å; I214-L218 PolarHBondContact O-N 2.81Å; I214-Y242 HydrophobicContact CD1-CD1 4Å; I214-Y242 HydrophobicContact CD1-CE1 4.14Å; I214-Y242 HydrophobicContact CD1-CG 4.3Å; I214-Y242 HydrophobicContact CG1-CD1 3.75Å; I214-Y242 HydrophobicContact CG1-CD2 3.68Å; I214-Y242 HydrophobicContact CG1-CE1 3.75Å; I214-Y242 HydrophobicContact CG1-CE2 3.65Å; I214-Y242 HydrophobicContact CG1-CG 3.72Å; I214-I250 HydrophobicContact CD1-CD1 4.04Å; I214-I252 HydrophobicContact CD1-CD1 4.42Å; I214-I252 HydrophobicContact CG2-CD1 4.17Å; I214-I252 HydrophobicContact CG2-CG1 4.02Å; I214-I252 HydrophobicContact CG2-CG2 4.44Å
215K98.6Very high97.2Very high7 Ų743.1 Ų43.13%0.0322%0.216CC..Hα-helixtrans-57.1-53.5179.3-173.2-170.473.3-175.30111.3G184 L187 T188 L191 V211 R212 D213 K217 C219 Y308G184-K215 PolarHBondContact O-NZ 2.93Å; L187-K215 HydrophobicContact CB-CD 3.86Å; T188-K215 PolarHBondContact OG1-NZ 3.07Å; L191-K215 HydrophobicContact CD2-CB 3.62Å; L191-K215 HydrophobicContact CD2-CG 4.23Å; V211-K215 WeakPolarHBondContact O-CB 3.38Å; V211-K215 PolarHBondContact O-N 3.41Å; R212-K215 WeakPolarHBondContact O-CB 3.44Å; R212-K215 PolarHBondContact O-N 3.17Å; D213-K215 VanDerWaalsContact C-N 3.29Å; D213-K215 PolarHBondContact O-N 2.93Å; K215-K217 VanDerWaalsContact C-N 3.35Å; K215-K217 PolarHBondContact O-N 3.34Å; K215-C219 WeakPolarHBondContact O-CB 3.4Å; K215-C219 PolarHBondContact O-N 3.27Å; K215-C219 VanDerWaalsContact O-N 3.14Å; K215-Y308 VanDerWaalsContact CD-OH 3.25Å; K215-Y308 WeakPolarHBondContact CD-OH 3.32Å; K215-Y308 HydrophobicContact CG-CE1 4.28Å; K215-Y308 WeakPolarHBondContact CG-OH 3.05Å
216E98.2Very high97.6Very high115 Ų11545.5 Ų45.554%0.53722%0.222SC..Hα-helixtrans-67.3-32.9-176.4-72.3173.1-159.200113R212 D213R212-E216 WeakPolarHBondContact CG-OE1 3.47Å; R212-E216 IonicContact CZ-OE1 2.81Å; R212-E216 IonicContact NH1-OE1 2.76Å; R212-E216 PolarHBondContact NH1-OE1 2.85Å; R212-E216 IonicContact NH1-OE2 2.82Å; R212-E216 PolarHBondContact NH1-OE2 3.26Å; R212-E216 WeakPolarHBondContact O-CG 3.39Å; R212-E216 PolarHBondContact O-N 3.09Å; D213-E216 PolarHBondContact O-N 2.96Å
217K98.4Very high97.9Very high136 Ų13647.6 Ų47.659%0.59123%0.226SC*.Hα-helixtrans-85.4-37.7-178.7-73.7177.8179.4160.20114.2D213 I214 K215 Y242D213-K217 VanDerWaalsContact CG-NZ 3.27Å; D213-K217 WeakPolarHBondContact O-CB 3.29Å; D213-K217 WeakPolarHBondContact O-CG 3.35Å; D213-K217 PolarHBondContact O-N 3.01Å; D213-K217 WeakPolarHBondContact OD1-CE 3.24Å; D213-K217 IonicContact OD1-NZ 3.2Å; D213-K217 PolarHBondContact OD1-NZ 2.76Å; D213-K217 WeakPolarHBondContact OD2-CD 3.13Å; D213-K217 VanDerWaalsContact OD2-CE 3.31Å; D213-K217 WeakPolarHBondContact OD2-CE 3.18Å; D213-K217 IonicContact OD2-NZ 3.39Å; D213-K217 PolarHBondContact OD2-NZ 2.89Å; I214-K217 PolarHBondContact O-N 2.82Å; K215-K217 VanDerWaalsContact C-N 3.35Å; K215-K217 PolarHBondContact O-N 3.34Å; K217-Y242 HydrophobicContact CD-CE2 4.3Å
218L98.6Very high98Very high26 Ų2646.5 Ų46.514%0.13622%0.221CC..Hα-helixtrans-114.7-23-164.3-58.4-173.1000114.1I214 K240 Y242 I252 R256I214-L218 HydrophobicContact CG2-CD1 4.35Å; I214-L218 WeakPolarHBondContact O-CB 3.34Å; I214-L218 PolarHBondContact O-N 2.81Å; L218-K240 HydrophobicContact CD1-CB 4.22Å; L218-K240 HydrophobicContact CD2-CB 4.23Å; L218-Y242 HydrophobicContact CD1-CD2 4Å; L218-Y242 HydrophobicContact CD1-CG 4.42Å; L218-I252 HydrophobicContact CD1-CB 4.4Å; L218-I252 HydrophobicContact CD1-CG1 3.87Å; L218-R256 HydrophobicContact CB-CG 4.44Å; L218-R256 VanDerWaalsContact O-CZ 3.31Å; L218-R256 PolarHBondContact O-NE 3.03Å; L218-R256 PolarHBondContact O-NH2 3.08Å
219C98.8Very high98.2Very high4 Ų447.4 Ų47.43%0.02723%0.227CC..  trans-80.2152.5-177-63.50000112.5K215 R256 P260 Y308K215-C219 WeakPolarHBondContact O-CB 3.4Å; K215-C219 PolarHBondContact O-N 3.27Å; K215-C219 VanDerWaalsContact O-N 3.14Å; C219-R256 CarbonylContact C-O 3.15Å; C219-R256 WeakPolarHBondContact CA-O 3.35Å; C219-R256 WeakPolarHBondContact CB-O 3.34Å; C219-P260 HydrophobicContact CB-CG 4.44Å; C219-Y308 HydrophobicContact CB-CD1 4.13Å; C219-Y308 HydrophobicContact CB-CE1 3.62Å
220Y98.8Very high98.3Very high33 Ų3348.5 Ų48.513%0.12924%0.242CC..  trans-155.5158.2-178.366.1-81.4000110.4E228 R256 F257 P260Y220-E228 WeakPolarHBondContact CE2-OE1 3.27Å; Y220-E228 PolarHBondContact OH-OE1 3.09Å; Y220-R256 HydrophobicContact CD1-CB 4.08Å; Y220-R256 HydrophobicContact CE1-CB 3.79Å; Y220-R256 PolarHBondContact N-O 3.32Å; Y220-F257 HydrophobicContact CD2-CB 4.39Å; Y220-F257 HydrophobicContact CE1-CB 4.25Å; Y220-F257 HydrophobicContact CE1-CD1 4.31Å; Y220-F257 HydrophobicContact CE2-CB 4.02Å; Y220-F257 AromaticContact CZ-CD1 3.86Å; Y220-F257 VanDerWaalsContact O-CA 3.29Å; Y220-F257 WeakPolarHBondContact O-CA 3.38Å; Y220-F257 WeakPolarHBondContact O-CB 3.24Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.49Å; Y220-P260 WeakPolarHBondContact O-CG 3.35Å
221V98.9Very high98.4Very high4 Ų449.1 Ų49.12%0.02425%0.247CC..  trans-90.4124.4176.1173.60000109.1P260 F264 Y308 P309 I311 R314V221-P260 HydrophobicContact CG2-CB 3.9Å; V221-P260 HydrophobicContact CG2-CG 4.32Å; V221-F264 HydrophobicContact CG1-CD2 4.37Å; V221-F264 HydrophobicContact CG1-CE2 3.61Å; V221-F264 HydrophobicContact CG1-CZ 4.04Å; V221-F264 HydrophobicContact CG2-CE2 4.07Å; V221-Y308 HydrophobicContact CG2-CD2 4.43Å; V221-Y308 HydrophobicContact CG2-CG 4.37Å; V221-P309 PolarHBondContact N-O 3.01Å; V221-I311 HydrophobicContact CB-CB 4.3Å; V221-I311 HydrophobicContact CG2-CB 3.92Å; V221-I311 HydrophobicContact CG2-CG1 4.1Å; V221-R314 HydrophobicContact CG1-CB 3.49Å; V221-R314 VanDerWaalsContact CG1-CB 3.49Å; V221-R314 HydrophobicContact CG1-CG 3.69Å
222A98.6Very high98.3Very high2 Ų250.4 Ų50.42%0.01726%0.258CS..  trans-73.3141.3172.300000110.8D224 E228 F257 R314A222-D224 VanDerWaalsContact C-N 3.33Å; A222-E228 HydrophobicContact CB-CB 3.72Å; A222-E228 HydrophobicContact CB-CG 3.8Å; A222-F257 HydrophobicContact CB-CB 4.26Å; A222-F257 HydrophobicContact CB-CD2 4.35Å; A222-F257 HydrophobicContact CB-CG 4.49Å; A222-R314 WeakPolarHBondContact O-CD 3.26Å; A222-R314 PolarHBondContact O-NH1 2.92Å
223L98.5Very high98.2Very high96 Ų9651.3 Ų51.350%0.50328%0.281SS..SBendtrans-70.1-33.4174.4-176.164.9000111.8D313 R314 K317L223-D313 HydrophobicContact CD1-CB 4.15Å; L223-R314 WeakPolarHBondContact O-CD 3.33Å; L223-K317 HydrophobicContact CD1-CB 4.1Å; L223-K317 HydrophobicContact CD1-CD 3.96Å; L223-K317 HydrophobicContact CG-CD 4.26Å; L223-K317 WeakPolarHBondContact O-CD 3.4Å; L223-K317 PolarHBondContact O-NZ 2.95Å
224D98.4Very high98.1Very high67 Ų6754.3 Ų54.336%0.35831%0.305SS..SBendtrans-138.2106.4175-166.8-65.3000108.7A222 E226 N227 E228 K317A222-D224 VanDerWaalsContact C-N 3.33Å; D224-E226 PolarHBondContact O-N 2.83Å; D224-E226 PolarHBondContact OD1-N 2.85Å; D224-N227 HydrophobicContact CB-CB 4.03Å; D224-N227 PolarHBondContact OD1-N 3.33Å; D224-N227 VanDerWaalsContact OD1-N 3.07Å; D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 PolarHBondContact O-N 2.93Å; D224-K317 IonicContact OD2-NZ 2.75Å; D224-K317 PolarHBondContact OD2-NZ 2.92Å; D224-K317 VanDerWaalsContact OD2-NZ 3.14Å
225F98.2Very high97.9Very high17 Ų1756.6 Ų56.68%0.07532%0.321CS..Hα-helixtrans-62.2-43.8-172.1177.6-102.5000112.6E228 M229 F257 R258 E261 F268F225-E228 PolarHBondContact O-N 3.04Å; F225-M229 HydrophobicContact CD1-CG 4.26Å; F225-M229 HydrophobicContact CE1-CG 3.77Å; F225-M229 HydrophobicContact CE2-CG 4.08Å; F225-M229 HydrophobicContact CE2-SD 4.33Å; F225-M229 HydrophobicContact CZ-CG 3.67Å; F225-M229 HydrophobicContact CZ-SD 4Å; F225-M229 WeakPolarHBondContact O-CB 3.42Å; F225-M229 WeakPolarHBondContact O-CG 3.36Å; F225-M229 PolarHBondContact O-N 3.41Å; F225-F257 AromaticContact CD2-CD2 3.96Å; F225-F257 HydrophobicContact CD2-CD2 3.96Å; F225-F257 HydrophobicContact CD2-CE2 4.2Å; F225-F257 AromaticContact CE2-CD2 3.89Å; F225-F257 HydrophobicContact CE2-CD2 3.89Å; F225-F257 AromaticContact CE2-CE2 3.97Å; F225-F257 HydrophobicContact CE2-CE2 3.97Å; F225-R258 HydrophobicContact CE2-CG 3.94Å; F225-R258 HydrophobicContact CZ-CG 4.08Å; F225-E261 HydrophobicContact CB-CG 4.42Å; F225-E261 HydrophobicContact CD1-CG 4.41Å; F225-E261 HydrophobicContact CD2-CB 3.84Å; F225-E261 HydrophobicContact CD2-CG 3.43Å; F225-E261 VanDerWaalsContact CD2-CG 3.43Å; F225-E261 HydrophobicContact CE2-CB 3.84Å; F225-E261 HydrophobicContact CE2-CG 3.7Å; F225-E261 HydrophobicContact CG-CG 3.82Å; F225-E261 HydrophobicContact CZ-CG 4.3Å; F225-F268 AromaticContact CE1-CE2 3.88Å; F225-F268 HydrophobicContact CE1-CE2 3.88Å; F225-F268 AromaticContact CE1-CZ 3.8Å; F225-F268 HydrophobicContact CE1-CZ 3.8Å; F225-F268 HydrophobicContact CE2-CE2 4.26Å; F225-F268 AromaticContact CZ-CE2 3.64Å; F225-F268 HydrophobicContact CZ-CE2 3.64Å; F225-F268 HydrophobicContact CZ-CZ 4.03Å
226E98Very high97.7Very high125 Ų12560.1 Ų60.158%0.58435%0.346SS*.Hα-helixtrans-67.8-42.1-177.6-63.5-57.2149.500111.6D224 M229 A230D224-E226 PolarHBondContact O-N 2.83Å; D224-E226 PolarHBondContact OD1-N 2.85Å; E226-M229 WeakPolarHBondContact O-CB 3.42Å; E226-M229 PolarHBondContact O-N 3.16Å; E226-A230 PolarHBondContact O-N 3.5Å
227N98Very high97.6Very high100 Ų10058.5 Ų58.554%0.53535%0.348SS..Hα-helixtrans-65.4-38.7175.1-177.563000112.3D224 A230 T231D224-N227 HydrophobicContact CB-CB 4.03Å; D224-N227 PolarHBondContact OD1-N 3.33Å; D224-N227 VanDerWaalsContact OD1-N 3.07Å; N227-A230 PolarHBondContact O-N 3.32Å; N227-T231 PolarHBondContact O-N 3.45Å; N227-T231 PolarHBondContact O-OG1 2.9Å
228E98.3Very high97.5Very high35 Ų3553.3 Ų53.316%0.16433%0.326CS..Hα-helixtrans-65.5-40.2176-15980.6-167.100111.1Y220 A222 D224 F225 T231 A232 L238 F257Y220-E228 WeakPolarHBondContact CE2-OE1 3.27Å; Y220-E228 PolarHBondContact OH-OE1 3.09Å; A222-E228 HydrophobicContact CB-CB 3.72Å; A222-E228 HydrophobicContact CB-CG 3.8Å; D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 PolarHBondContact O-N 2.93Å; F225-E228 PolarHBondContact O-N 3.04Å; E228-T231 PolarHBondContact O-N 2.92Å; E228-A232 WeakPolarHBondContact O-CB 3.46Å; E228-A232 PolarHBondContact O-N 2.93Å; E228-L238 HydrophobicContact CG-CD1 3.99Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.36Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.46Å; E228-F257 HydrophobicContact CB-CD2 4.12Å; E228-F257 HydrophobicContact CB-CE1 4.46Å; E228-F257 HydrophobicContact CB-CE2 3.84Å; E228-F257 HydrophobicContact CB-CZ 4.02Å; E228-F257 HydrophobicContact CG-CD1 3.67Å; E228-F257 HydrophobicContact CG-CD2 3.84Å; E228-F257 HydrophobicContact CG-CE1 3.6Å; E228-F257 HydrophobicContact CG-CE2 3.78Å; E228-F257 HydrophobicContact CG-CG 3.79Å; E228-F257 HydrophobicContact CG-CZ 3.66Å
229M98.1Very high97.5Very high54 Ų5455.8 Ų55.827%0.26634%0.337SS..Hα-helixtrans-60.4-45.9172.6-79.2-59.9-65.500112.1F225 E226 T231 A232 A233 N254 F257 R258F225-M229 HydrophobicContact CD1-CG 4.26Å; F225-M229 HydrophobicContact CE1-CG 3.77Å; F225-M229 HydrophobicContact CE2-CG 4.08Å; F225-M229 HydrophobicContact CE2-SD 4.33Å; F225-M229 HydrophobicContact CZ-CG 3.67Å; F225-M229 HydrophobicContact CZ-SD 4Å; F225-M229 WeakPolarHBondContact O-CB 3.42Å; F225-M229 WeakPolarHBondContact O-CG 3.36Å; F225-M229 PolarHBondContact O-N 3.41Å; E226-M229 WeakPolarHBondContact O-CB 3.42Å; E226-M229 PolarHBondContact O-N 3.16Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 2.85Å; M229-A232 PolarHBondContact O-N 3.19Å; M229-A233 PolarHBondContact O-N 2.84Å; M229-N254 HydrophobicContact SD-CB 4.25Å; M229-F257 HydrophobicContact CG-CE2 3.82Å; M229-F257 HydrophobicContact CG-CZ 4.32Å; M229-F257 HydrophobicContact SD-CE2 3.55Å; M229-F257 VanDerWaalsContact SD-CE2 3.55Å; M229-F257 HydrophobicContact SD-CZ 3.77Å; M229-R258 HydrophobicContact SD-CG 3.89Å
230A98.1Very high97.4Very high57 Ų5760.6 Ų60.647%0.47136%0.357SS..Hα-helixtrans-62.5-38.3176.900000112.1E226 N227 A233 S234E226-A230 PolarHBondContact O-N 3.5Å; N227-A230 PolarHBondContact O-N 3.32Å; A230-A233 PolarHBondContact O-N 3.28Å; A230-S234 PolarHBondContact O-N 3.37Å; A230-S234 PolarHBondContact O-OG 3.26Å
231T97.8Very high97.4Very high43 Ų4363 Ų6326%0.26438%0.379SS..Hα-helixtrans-65.2-45.8174.9-57.40000111N227 E228 M229 A233 S234 S235 L238N227-T231 PolarHBondContact O-N 3.45Å; N227-T231 PolarHBondContact O-OG1 2.9Å; E228-T231 PolarHBondContact O-N 2.92Å; M229-T231 VanDerWaalsContact C-N 3.3Å; M229-T231 PolarHBondContact O-N 2.85Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 3.02Å; T231-S234 PolarHBondContact O-N 3.16Å; T231-S234 VanDerWaalsContact O-N 3.16Å; T231-S234 PolarHBondContact O-OG 2.82Å; T231-S235 WeakPolarHBondContact O-CB 3.33Å; T231-S235 PolarHBondContact O-N 2.81Å; T231-L238 HydrophobicContact CG2-CD1 3.88Å; T231-L238 HydrophobicContact CG2-CG 4.19Å
232A97.1Very high97.4Very high27 Ų2764.2 Ų64.222%0.22338%0.383CS..Hα-helixtrans-64.1-30.1178.300000113.3E228 M229 L238 N254 F257E228-A232 WeakPolarHBondContact O-CB 3.46Å; E228-A232 PolarHBondContact O-N 2.93Å; M229-A232 PolarHBondContact O-N 3.19Å; A232-L238 HydrophobicContact CB-CD1 4.04Å; A232-N254 HydrophobicContact CB-CB 3.88Å; A232-F257 HydrophobicContact CB-CE1 4.03Å; A232-F257 HydrophobicContact CB-CZ 3.92Å
233A96.6Very high97.3Very high92 Ų9270.5 Ų70.576%0.7641%0.413SS*.Hα-helixtrans-75.3-24.8176.600000113.3M229 A230 T231M229-A233 PolarHBondContact O-N 2.84Å; A230-A233 PolarHBondContact O-N 3.28Å; T231-A233 VanDerWaalsContact C-N 3.27Å; T231-A233 PolarHBondContact O-N 3.02Å
234S96Very high97.2Very high101 Ų10166.9 Ų66.971%0.70639%0.393SS*.Hα-helixtrans-107.1-13.4-174.956.60000114.1A230 T231A230-S234 PolarHBondContact O-N 3.37Å; A230-S234 PolarHBondContact O-OG 3.26Å; T231-S234 PolarHBondContact O-N 3.16Å; T231-S234 VanDerWaalsContact O-N 3.16Å; T231-S234 PolarHBondContact O-OG 2.82Å
235S93.8Very high97Very high48 Ų4868.8 Ų68.834%0.33641%0.41SS..  trans-146.6142.4-173.9179.50000112.1T231 S237T231-S235 WeakPolarHBondContact O-CB 3.33Å; T231-S235 PolarHBondContact O-N 2.81Å; S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 3.24Å; S235-S237 VanDerWaalsContact OG-CB 3.23Å; S235-S237 WeakPolarHBondContact OG-CB 3.25Å; S235-S237 PolarHBondContact OG-N 3.17Å; S235-S237 PolarHBondContact OG-OG 3Å
236S94.8Very high96.8Very high81 Ų8173.6 Ų73.657%0.56644%0.436SS*.G310 helixtrans-83.63.6169.459.70000113.4L238 E239S236-L238 PolarHBondContact O-N 2.89Å; S236-L238 VanDerWaalsContact O-N 3.07Å; S236-E239 WeakPolarHBondContact O-CB 3.37Å; S236-E239 PolarHBondContact O-N 3.12Å
237S95.8Very high96.7Very high81 Ų8169.5 Ų69.557%0.56643%0.428SS*.G310 helixtrans-60.1-21.8-177.8570000114.3S235S235-S237 VanDerWaalsContact C-N 3.25Å; S235-S237 PolarHBondContact O-N 3.24Å; S235-S237 VanDerWaalsContact OG-CB 3.23Å; S235-S237 WeakPolarHBondContact OG-CB 3.25Å; S235-S237 PolarHBondContact OG-N 3.17Å; S235-S237 PolarHBondContact OG-OG 3Å
238L96.6Very high96.6Very high26 Ų2669.8 Ų69.814%0.13643%0.426CS..G310 helixtrans-90.9-6.1177.5-57.8-178.2000112.9E228 T231 A232 S236 R256 F257E228-L238 HydrophobicContact CG-CD1 3.99Å; E228-L238 WeakPolarHBondContact OE1-CD1 3.36Å; E228-L238 WeakPolarHBondContact OE1-CD2 3.46Å; T231-L238 HydrophobicContact CG2-CD1 3.88Å; T231-L238 HydrophobicContact CG2-CG 4.19Å; A232-L238 HydrophobicContact CB-CD1 4.04Å; S236-L238 PolarHBondContact O-N 2.89Å; S236-L238 VanDerWaalsContact O-N 3.07Å; L238-R256 PolarHBondContact O-NH1 3.32Å; L238-F257 HydrophobicContact CD1-CE1 4.07Å
239E97.7Very high96.6Very high79 Ų7972.4 Ų72.437%0.36944%0.444SS..  trans-75146.2178.8-60.2-168.1141.500111.8R198 S236 T251 I252R198-E239 IonicContact CZ-OE1 2.75Å; R198-E239 IonicContact NH2-OE1 3.64Å; R198-E239 PolarHBondContact NH2-OE1 3.18Å; S236-E239 WeakPolarHBondContact O-CB 3.37Å; S236-E239 PolarHBondContact O-N 3.12Å; E239-T251 HydrophobicContact CB-CG2 3.79Å; E239-T251 HydrophobicContact CG-CG2 4.16Å; E239-I252 WeakPolarHBondContact CA-O 3.5Å
240K98.2Very high96.6Very high104 Ų10469.9 Ų69.945%0.45243%0.431SS..EExtended strand (participates in β ladder)trans-133.8140.9171.9-69.5-67.1-179.1-177.10110.2L218 I252L218-K240 HydrophobicContact CD1-CB 4.22Å; L218-K240 HydrophobicContact CD2-CB 4.23Å; K240-I252 PolarHBondContact N-O 3.16Å; K240-I252 PolarHBondContact O-N 2.95Å
241S97.5Very high96.6Very high84 Ų8469.4 Ų69.459%0.58742%0.423SS*.EExtended strand (participates in β ladder)trans-81.1145.3170.654.30000111I250S241-I250 CarbonylContact C-O 3.54Å; S241-I250 VanDerWaalsContact CA-O 3.31Å; S241-I250 WeakPolarHBondContact CA-O 3.31Å
242Y98.3Very high96.6Very high29 Ų2967.3 Ų67.311%0.11441%0.41CS..EExtended strand (participates in β ladder)trans-132.7132.9170.8-175.9-86.6000109.2I210 D213 I214 K217 L218 L244 V249 I250I210-Y242 HydrophobicContact CG2-CE1 3.84Å; D213-Y242 VanDerWaalsContact OD2-CE2 3.28Å; D213-Y242 WeakPolarHBondContact OD2-CE2 3.45Å; D213-Y242 VanDerWaalsContact OD2-CZ 3.31Å; D213-Y242 PolarHBondContact OD2-OH 3.14Å; I214-Y242 HydrophobicContact CD1-CD1 4Å; I214-Y242 HydrophobicContact CD1-CE1 4.14Å; I214-Y242 HydrophobicContact CD1-CG 4.3Å; I214-Y242 HydrophobicContact CG1-CD1 3.75Å; I214-Y242 HydrophobicContact CG1-CD2 3.68Å; I214-Y242 HydrophobicContact CG1-CE1 3.75Å; I214-Y242 HydrophobicContact CG1-CE2 3.65Å; I214-Y242 HydrophobicContact CG1-CG 3.72Å; K217-Y242 HydrophobicContact CD-CE2 4.3Å; L218-Y242 HydrophobicContact CD1-CD2 4Å; L218-Y242 HydrophobicContact CD1-CG 4.42Å; Y242-L244 HydrophobicContact CD1-CD2 4.07Å; Y242-L244 HydrophobicContact CE1-CD2 4.07Å; Y242-V249 WeakPolarHBondContact O-CA 3.27Å; Y242-I250 HydrophobicContact CD1-CG1 4.46Å; Y242-I250 PolarHBondContact N-O 3.37Å; Y242-I250 PolarHBondContact O-N 3.17Å
243E98.2Very high96.6Very high135 Ų13566.2 Ų66.263%0.63140%0.401SS*.EExtended strand (participates in β ladder)trans-92.8118.9177.4-172.1177.6167.400109.7V249E243-V249 HydrophobicContact CB-CG2 4.41Å; E243-V249 HydrophobicContact CG-CG2 4.36Å
244L96.6Very high96.7Very high19 Ų1963.6 Ų63.610%0.09937%0.374CS..  trans-72.7159.5175.3-64.5178.6000110.7F202 I210 Y242 D246 G247 Q248 I250F202-L244 HydrophobicContact CE1-CD2 4.02Å; F202-L244 HydrophobicContact CZ-CD2 4.12Å; I210-L244 HydrophobicContact CG2-CD2 3.68Å; Y242-L244 HydrophobicContact CD1-CD2 4.07Å; Y242-L244 HydrophobicContact CE1-CD2 4.07Å; L244-D246 VanDerWaalsContact CB-OD1 3.23Å; L244-D246 WeakPolarHBondContact CB-OD1 3.38Å; L244-D246 PolarHBondContact O-N 2.98Å; L244-G247 WeakPolarHBondContact O-CA 3.27Å; L244-G247 PolarHBondContact O-N 3.49Å; L244-Q248 HydrophobicContact CB-CB 4.44Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.5Å; L244-Q248 HydrophobicContact CD1-CB 4.17Å; L244-Q248 HydrophobicContact CD1-CG 4.36Å; L244-Q248 WeakPolarHBondContact CG-O 3.41Å; L244-Q248 PolarHBondContact N-O 3.42Å; L244-I250 HydrophobicContact CD1-CD1 4.48Å; L244-I250 HydrophobicContact CD1-CG2 3.74Å; L244-I250 HydrophobicContact CD2-CD1 3.91Å; L244-I250 HydrophobicContact CD2-CG1 4.4Å; L244-I250 HydrophobicContact CG-CD1 4.3Å; L244-I250 HydrophobicContact CG-CG1 4.34Å; L244-I250 HydrophobicContact CG-CG2 4.21Å
245P93.8Very high96.8Very high107 Ų10759.1 Ų59.170%0.69534%0.342SS*.THydrogen-bonded Turntrans-59.5-19.6-179.5-26.536.1000115.7I210 G247I210-P245 HydrophobicContact CD1-CG 3.83Å; I210-P245 HydrophobicContact CG1-CG 4.17Å; P245-G247 VanDerWaalsContact C-N 3.31Å
246D94Very high97Very high119 Ų11958.3 Ų58.364%0.63633%0.332SS*.THydrogen-bonded Turntrans-87.51.9174.863.5-1.2000113.3L244 Q248L244-D246 VanDerWaalsContact CB-OD1 3.23Å; L244-D246 WeakPolarHBondContact CB-OD1 3.38Å; L244-D246 PolarHBondContact O-N 2.98Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.27Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.42Å; D246-Q248 PolarHBondContact OD1-N 3.29Å
247G95.7Very high97.2Very high39 Ų3954.5 Ų54.540%0.40231%0.305SS..SBendtrans85.6-3.4-177.400000114.2L244 P245 V249L244-G247 WeakPolarHBondContact O-CA 3.27Å; L244-G247 PolarHBondContact O-N 3.49Å; P245-G247 VanDerWaalsContact C-N 3.31Å; G247-V249 PolarHBondContact O-N 3.43Å
248Q96.1Very high97.3Very high105 Ų10553 Ų5349%0.49129%0.287SS..  trans-68.6129.1175.2179.9179.7-4.100110.1L244 D246 I250L244-Q248 HydrophobicContact CB-CB 4.44Å; L244-Q248 VanDerWaalsContact CB-O 3.3Å; L244-Q248 WeakPolarHBondContact CB-O 3.5Å; L244-Q248 HydrophobicContact CD1-CB 4.17Å; L244-Q248 HydrophobicContact CD1-CG 4.36Å; L244-Q248 WeakPolarHBondContact CG-O 3.41Å; L244-Q248 PolarHBondContact N-O 3.42Å; D246-Q248 VanDerWaalsContact C-N 3.33Å; D246-Q248 VanDerWaalsContact OD1-CB 3.27Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.42Å; D246-Q248 PolarHBondContact OD1-N 3.29Å; Q248-I250 HydrophobicContact CG-CG2 4.36Å
249V97.6Very high97.4Very high90 Ų9051.7 Ų51.755%0.54528%0.28SS..EExtended strand (participates in β ladder)trans-93.6126.1174.3-177.70000110Y242 E243 G247Y242-V249 WeakPolarHBondContact O-CA 3.27Å; E243-V249 HydrophobicContact CB-CG2 4.41Å; E243-V249 HydrophobicContact CG-CG2 4.36Å; G247-V249 PolarHBondContact O-N 3.43Å
250I97.6Very high97.5Very high1 Ų148 Ų481%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-113.3156175.263.4170.5000110.9Y200 F202 I214 S241 Y242 L244 Q248 I252Y200-I250 HydrophobicContact CD1-CB 4.28Å; Y200-I250 HydrophobicContact CD1-CG2 3.8Å; Y200-I250 HydrophobicContact CD2-CB 4.35Å; Y200-I250 HydrophobicContact CD2-CD1 4.48Å; Y200-I250 HydrophobicContact CE1-CB 3.87Å; Y200-I250 HydrophobicContact CE1-CG2 3.54Å; Y200-I250 HydrophobicContact CE2-CB 3.94Å; Y200-I250 HydrophobicContact CE2-CG2 4.48Å; Y200-I250 HydrophobicContact CG-CG2 4.38Å; F202-I250 HydrophobicContact CZ-CD1 3.95Å; I214-I250 HydrophobicContact CD1-CD1 4.04Å; S241-I250 CarbonylContact C-O 3.54Å; S241-I250 VanDerWaalsContact CA-O 3.31Å; S241-I250 WeakPolarHBondContact CA-O 3.31Å; Y242-I250 HydrophobicContact CD1-CG1 4.46Å; Y242-I250 PolarHBondContact N-O 3.37Å; Y242-I250 PolarHBondContact O-N 3.17Å; L244-I250 HydrophobicContact CD1-CD1 4.48Å; L244-I250 HydrophobicContact CD1-CG2 3.74Å; L244-I250 HydrophobicContact CD2-CD1 3.91Å; L244-I250 HydrophobicContact CD2-CG1 4.4Å; L244-I250 HydrophobicContact CG-CD1 4.3Å; L244-I250 HydrophobicContact CG-CG1 4.34Å; L244-I250 HydrophobicContact CG-CG2 4.21Å; Q248-I250 HydrophobicContact CG-CG2 4.36Å; I250-I252 HydrophobicContact CD1-CD1 3.67Å; I250-I252 HydrophobicContact CG1-CD1 3.95Å
251T97.8Very high97.5Very high47 Ų4743 Ų4329%0.28824%0.241SC..EExtended strand (participates in β ladder)trans-108.8122.5179.6-59.30000110.3R198 Y200 E239R198-T251 WeakPolarHBondContact CD-O 3.44Å; R198-T251 PolarHBondContact NE-O 2.9Å; Y200-T251 WeakPolarHBondContact CE2-O 3.41Å; Y200-T251 PolarHBondContact OH-N 2.93Å; E239-T251 HydrophobicContact CB-CG2 3.79Å; E239-T251 HydrophobicContact CG-CG2 4.16Å
252I98.3Very high97.6Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-103.1122.1175.3-38.5-59.5000108.3L195 I214 L218 E239 K240 I250 E255 R256L195-I252 HydrophobicContact CD2-CD1 3.73Å; L195-I252 HydrophobicContact CD2-CG2 4.17Å; I214-I252 HydrophobicContact CD1-CD1 4.42Å; I214-I252 HydrophobicContact CG2-CD1 4.17Å; I214-I252 HydrophobicContact CG2-CG1 4.02Å; I214-I252 HydrophobicContact CG2-CG2 4.44Å; L218-I252 HydrophobicContact CD1-CB 4.4Å; L218-I252 HydrophobicContact CD1-CG1 3.87Å; E239-I252 WeakPolarHBondContact CA-O 3.5Å; K240-I252 PolarHBondContact N-O 3.16Å; K240-I252 PolarHBondContact O-N 2.95Å; I250-I252 HydrophobicContact CD1-CD1 3.67Å; I250-I252 HydrophobicContact CG1-CD1 3.95Å; I252-E255 HydrophobicContact CG2-CB 4.14Å; I252-R256 HydrophobicContact CB-CG 4.1Å; I252-R256 HydrophobicContact CG2-CG 3.63Å; I252-R256 WeakPolarHBondContact O-CD 3.37Å
253G98Very high97.6Very high3 Ų337.7 Ų37.73%0.03121%0.208CC..  trans-107.7-119.5-176.300000112.2E255 R256G253-E255 VanDerWaalsContact C-OE2 3.22Å; G253-E255 VanDerWaalsContact CA-OE2 3.26Å; G253-E255 WeakPolarHBondContact CA-OE2 3.26Å; G253-E255 PolarHBondContact N-OE2 3.04Å; G253-E255 PolarHBondContact O-N 3.37Å; G253-E255 VanDerWaalsContact O-N 3.14Å; G253-R256 WeakPolarHBondContact O-CB 3.39Å; G253-R256 WeakPolarHBondContact O-CG 3.38Å; G253-R256 PolarHBondContact O-N 2.73Å
254N97.9Very high97.6Very high38 Ų3831.3 Ų31.320%0.20318%0.178CC..THydrogen-bonded Turntrans-65.9-14.4-177.565.434.5000113.8M229 A232 R256 F257 R258M229-N254 HydrophobicContact SD-CB 4.25Å; A232-N254 HydrophobicContact CB-CB 3.88Å; N254-R256 PolarHBondContact O-N 2.9Å; N254-R256 VanDerWaalsContact O-N 3.12Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CE2 4.43Å; N254-F257 HydrophobicContact CB-CZ 3.6Å; N254-F257 PolarHBondContact O-N 3.2Å; N254-F257 VanDerWaalsContact O-N 3.15Å; N254-R258 WeakPolarHBondContact O-CB 3.39Å; N254-R258 WeakPolarHBondContact O-CG 3.46Å; N254-R258 PolarHBondContact O-N 3.25Å; N254-R258 WeakPolarHBondContact OD1-CD 3.42Å; N254-R258 PolarHBondContact OD1-NH1 3.36Å
255E98.4Very high97.7Very high7 Ų733.6 Ų33.63%0.03319%0.189CC..Hα-helixtrans-57.8-27.5174.1-55.178.6-164.400111.3L191 I194 L195 R198 I252 G253 F257 C259L191-E255 HydrophobicContact CD1-CB 3.91Å; I194-E255 HydrophobicContact CB-CG 4.16Å; I194-E255 HydrophobicContact CD1-CB 3.67Å; I194-E255 HydrophobicContact CD1-CG 4.01Å; I194-E255 HydrophobicContact CG1-CB 3.87Å; I194-E255 HydrophobicContact CG1-CG 3.78Å; L195-E255 HydrophobicContact CD2-CB 4.4Å; L195-E255 HydrophobicContact CD2-CG 4.31Å; R198-E255 WeakPolarHBondContact CD-OE1 3.47Å; R198-E255 IonicContact NH1-OE1 3.04Å; R198-E255 PolarHBondContact NH1-OE1 3.24Å; R198-E255 VanDerWaalsContact NH1-OE1 3.16Å; R198-E255 IonicContact NH1-OE2 2.63Å; R198-E255 PolarHBondContact NH1-OE2 2.88Å; I252-E255 HydrophobicContact CG2-CB 4.14Å; G253-E255 VanDerWaalsContact C-OE2 3.22Å; G253-E255 VanDerWaalsContact CA-OE2 3.26Å; G253-E255 WeakPolarHBondContact CA-OE2 3.26Å; G253-E255 PolarHBondContact N-OE2 3.04Å; G253-E255 PolarHBondContact O-N 3.37Å; G253-E255 VanDerWaalsContact O-N 3.14Å; E255-F257 VanDerWaalsContact C-N 3.3Å; E255-F257 PolarHBondContact O-N 3.14Å; E255-C259 VanDerWaalsContact O-CB 3.26Å; E255-C259 WeakPolarHBondContact O-CB 3.45Å; E255-C259 PolarHBondContact O-N 2.72Å; E255-C259 VanDerWaalsContact O-N 3.1Å
256R98.7Very high97.9Very high31 Ų3128.7 Ų28.712%0.11716%0.157CC..Hα-helixtrans-58.3-36.4177.6-63.9176.665.9-138.6-11.1113.5L218 C219 Y220 L238 I252 G253 N254 P260L218-R256 HydrophobicContact CB-CG 4.44Å; L218-R256 VanDerWaalsContact O-CZ 3.31Å; L218-R256 PolarHBondContact O-NE 3.03Å; L218-R256 PolarHBondContact O-NH2 3.08Å; C219-R256 CarbonylContact C-O 3.15Å; C219-R256 WeakPolarHBondContact CA-O 3.35Å; C219-R256 WeakPolarHBondContact CB-O 3.34Å; Y220-R256 HydrophobicContact CD1-CB 4.08Å; Y220-R256 HydrophobicContact CE1-CB 3.79Å; Y220-R256 PolarHBondContact N-O 3.32Å; L238-R256 PolarHBondContact O-NH1 3.32Å; I252-R256 HydrophobicContact CB-CG 4.1Å; I252-R256 HydrophobicContact CG2-CG 3.63Å; I252-R256 WeakPolarHBondContact O-CD 3.37Å; G253-R256 WeakPolarHBondContact O-CB 3.39Å; G253-R256 WeakPolarHBondContact O-CG 3.38Å; G253-R256 PolarHBondContact O-N 2.73Å; N254-R256 PolarHBondContact O-N 2.9Å; N254-R256 VanDerWaalsContact O-N 3.12Å; R256-P260 WeakPolarHBondContact O-CD 3.37Å
257F98.6Very high98Very high0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-112.7-22.5179.464.1-95.1000113.2Y220 A222 F225 E228 M229 A232 L238 N254 E255 C259 P260 E261Y220-F257 HydrophobicContact CD2-CB 4.39Å; Y220-F257 HydrophobicContact CE1-CB 4.25Å; Y220-F257 HydrophobicContact CE1-CD1 4.31Å; Y220-F257 HydrophobicContact CE2-CB 4.02Å; Y220-F257 AromaticContact CZ-CD1 3.86Å; Y220-F257 VanDerWaalsContact O-CA 3.29Å; Y220-F257 WeakPolarHBondContact O-CA 3.38Å; Y220-F257 WeakPolarHBondContact O-CB 3.24Å; Y220-F257 WeakPolarHBondContact OH-CD1 3.49Å; A222-F257 HydrophobicContact CB-CB 4.26Å; A222-F257 HydrophobicContact CB-CD2 4.35Å; A222-F257 HydrophobicContact CB-CG 4.49Å; F225-F257 AromaticContact CD2-CD2 3.96Å; F225-F257 HydrophobicContact CD2-CD2 3.96Å; F225-F257 HydrophobicContact CD2-CE2 4.2Å; F225-F257 AromaticContact CE2-CD2 3.89Å; F225-F257 HydrophobicContact CE2-CD2 3.89Å; F225-F257 AromaticContact CE2-CE2 3.97Å; F225-F257 HydrophobicContact CE2-CE2 3.97Å; E228-F257 HydrophobicContact CB-CD2 4.12Å; E228-F257 HydrophobicContact CB-CE1 4.46Å; E228-F257 HydrophobicContact CB-CE2 3.84Å; E228-F257 HydrophobicContact CB-CZ 4.02Å; E228-F257 HydrophobicContact CG-CD1 3.67Å; E228-F257 HydrophobicContact CG-CD2 3.84Å; E228-F257 HydrophobicContact CG-CE1 3.6Å; E228-F257 HydrophobicContact CG-CE2 3.78Å; E228-F257 HydrophobicContact CG-CG 3.79Å; E228-F257 HydrophobicContact CG-CZ 3.66Å; M229-F257 HydrophobicContact CG-CE2 3.82Å; M229-F257 HydrophobicContact CG-CZ 4.32Å; M229-F257 HydrophobicContact SD-CE2 3.55Å; M229-F257 VanDerWaalsContact SD-CE2 3.55Å; M229-F257 HydrophobicContact SD-CZ 3.77Å; A232-F257 HydrophobicContact CB-CE1 4.03Å; A232-F257 HydrophobicContact CB-CZ 3.92Å; L238-F257 HydrophobicContact CD1-CE1 4.07Å; N254-F257 HydrophobicContact CB-CE1 3.68Å; N254-F257 HydrophobicContact CB-CE2 4.43Å; N254-F257 HydrophobicContact CB-CZ 3.6Å; N254-F257 PolarHBondContact O-N 3.2Å; N254-F257 VanDerWaalsContact O-N 3.15Å; E255-F257 VanDerWaalsContact C-N 3.3Å; E255-F257 PolarHBondContact O-N 3.14Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 2.86Å; F257-P260 WeakPolarHBondContact O-CD 3.5Å; F257-E261 WeakPolarHBondContact O-CB 3.21Å; F257-E261 PolarHBondContact O-N 2.89Å
258R98.5Very high97.9Very high49 Ų4928.2 Ų28.219%0.18515%0.148CC..Hα-helixtrans-62.7-37.8169.8-75.2174.966.9-155.4-3.2112.7I194 E197 F225 M229 N254 E261I194-R258 HydrophobicContact CD1-CB 4.2Å; E197-R258 IonicContact OE2-CZ 2.84Å; E197-R258 IonicContact OE2-NH1 3.98Å; E197-R258 IonicContact OE2-NH2 3.92Å; E197-R258 PolarHBondContact OE2-NH2 3.4Å; F225-R258 HydrophobicContact CE2-CG 3.94Å; F225-R258 HydrophobicContact CZ-CG 4.08Å; M229-R258 HydrophobicContact SD-CG 3.89Å; N254-R258 WeakPolarHBondContact O-CB 3.39Å; N254-R258 WeakPolarHBondContact O-CG 3.46Å; N254-R258 PolarHBondContact O-N 3.25Å; N254-R258 WeakPolarHBondContact OD1-CD 3.42Å; N254-R258 PolarHBondContact OD1-NH1 3.36Å; R258-E261 PolarHBondContact O-N 3.5Å
259C98.7Very high97.9Very high0 Ų025.7 Ų25.70%014%0.137CC..Hα-helixtrans-59.3-59.9179.11710000112.5L187 L191 I194 E255 F257 E261 T262L187-C259 PolarHBondContact O-SG 3.24Å; L191-C259 HydrophobicContact CB-CB 4.35Å; L191-C259 HydrophobicContact CD1-CB 4.03Å; I194-C259 HydrophobicContact CD1-CB 4.09Å; E255-C259 VanDerWaalsContact O-CB 3.26Å; E255-C259 WeakPolarHBondContact O-CB 3.45Å; E255-C259 PolarHBondContact O-N 2.72Å; E255-C259 VanDerWaalsContact O-N 3.1Å; F257-C259 VanDerWaalsContact C-N 3.33Å; F257-C259 PolarHBondContact O-N 2.86Å; C259-E261 PolarHBondContact O-N 3.48Å; C259-T262 WeakPolarHBondContact O-CG2 3.22Å; C259-T262 PolarHBondContact O-N 2.84Å; C259-T262 PolarHBondContact O-OG1 3.24Å; C259-T262 VanDerWaalsContact O-OG1 3.06Å
260P98.7Very high97.8Very high0 Ų024.6 Ų24.60%014%0.144CC..Hα-helixtrans-71.2-15.4179.928.5-36000113.9C219 Y220 V221 R256 F257 T262 L263 Y308C219-P260 HydrophobicContact CB-CG 4.44Å; Y220-P260 WeakPolarHBondContact O-CG 3.35Å; V221-P260 HydrophobicContact CG2-CB 3.9Å; V221-P260 HydrophobicContact CG2-CG 4.32Å; R256-P260 WeakPolarHBondContact O-CD 3.37Å; F257-P260 WeakPolarHBondContact O-CD 3.5Å; P260-T262 PolarHBondContact O-N 3.44Å; P260-L263 WeakPolarHBondContact O-CB 3.43Å; P260-L263 PolarHBondContact O-N 2.88Å; P260-L263 VanDerWaalsContact O-N 3.09Å; P260-Y308 HydrophobicContact CB-CD1 4.4Å; P260-Y308 HydrophobicContact CB-CD2 3.82Å; P260-Y308 HydrophobicContact CB-CE1 4.32Å; P260-Y308 HydrophobicContact CB-CE2 3.69Å; P260-Y308 HydrophobicContact CB-CG 4.17Å
261E98.7Very high97.7Very high0 Ų026.8 Ų26.80%016%0.155CC..Hα-helixtrans-58.5-26.4173.6-171.662.7-158.300112.2F225 F257 R258 C259 L263 F264 Q265 F268 R314F225-E261 HydrophobicContact CB-CG 4.42Å; F225-E261 HydrophobicContact CD1-CG 4.41Å; F225-E261 HydrophobicContact CD2-CB 3.84Å; F225-E261 HydrophobicContact CD2-CG 3.43Å; F225-E261 VanDerWaalsContact CD2-CG 3.43Å; F225-E261 HydrophobicContact CE2-CB 3.84Å; F225-E261 HydrophobicContact CE2-CG 3.7Å; F225-E261 HydrophobicContact CG-CG 3.82Å; F225-E261 HydrophobicContact CZ-CG 4.3Å; F257-E261 WeakPolarHBondContact O-CB 3.21Å; F257-E261 PolarHBondContact O-N 2.89Å; R258-E261 PolarHBondContact O-N 3.5Å; C259-E261 PolarHBondContact O-N 3.48Å; E261-L263 PolarHBondContact O-N 3.39Å; E261-L263 VanDerWaalsContact O-N 3.11Å; E261-F264 CarbonylContact O-C 3.54Å; E261-F264 WeakPolarHBondContact O-CA 3.34Å; E261-F264 PolarHBondContact O-N 3.28Å; E261-Q265 PolarHBondContact O-N 3.34Å; E261-F268 HydrophobicContact CB-CD2 4.5Å; E261-F268 HydrophobicContact CB-CE2 4.33Å; E261-F268 HydrophobicContact CG-CD2 4.27Å; E261-F268 HydrophobicContact CG-CE2 3.77Å; E261-R314 IonicContact OE1-CZ 3.14Å; E261-R314 IonicContact OE1-NH1 3.5Å; E261-R314 PolarHBondContact OE1-NH1 2.96Å; E261-R314 IonicContact OE1-NH2 3.22Å; E261-R314 PolarHBondContact OE1-NH2 3.13Å; E261-R314 IonicContact OE2-CZ 2.72Å; E261-R314 IonicContact OE2-NH1 3.79Å; E261-R314 PolarHBondContact OE2-NH1 2.85Å; E261-R314 IonicContact OE2-NH2 3.16Å
262T98.3Very high97.5Very high0 Ų034 Ų340%019%0.185CC..THydrogen-bonded Turntrans-61.3-23.1177.365.60000112.9L182 L187 Y190 C259 P260 F264 Q265 P266 F268 I269L182-T262 VanDerWaalsContact CD2-O 3.22Å; L182-T262 WeakPolarHBondContact CD2-O 3.3Å; L187-T262 WeakPolarHBondContact CD2-OG1 3.29Å; Y190-T262 HydrophobicContact CD1-CG2 3.37Å; Y190-T262 HydrophobicContact CE1-CG2 3.29Å; Y190-T262 HydrophobicContact CG-CG2 4.16Å; C259-T262 WeakPolarHBondContact O-CG2 3.22Å; C259-T262 PolarHBondContact O-N 2.84Å; C259-T262 PolarHBondContact O-OG1 3.24Å; C259-T262 VanDerWaalsContact O-OG1 3.06Å; P260-T262 PolarHBondContact O-N 3.44Å; T262-F264 PolarHBondContact O-N 2.86Å; T262-Q265 CarbonylContact O-C 3.54Å; T262-Q265 VanDerWaalsContact O-C 3.25Å; T262-Q265 PolarHBondContact O-N 2.83Å; T262-P266 VanDerWaalsContact O-CA 3.26Å; T262-P266 WeakPolarHBondContact O-CA 3.34Å; T262-P266 WeakPolarHBondContact O-CD 3.19Å; T262-P266 WeakPolarHBondContact O-CG 3.08Å; T262-F268 HydrophobicContact CG2-CB 3.96Å; T262-I269 HydrophobicContact CG2-CG2 3.74Å
263L98.7Very high97.4Very high1 Ų136.8 Ų36.81%0.00521%0.205CC..THydrogen-bonded Turntrans-63.3-33171-65.2172.1000111.7L182 L187 P260 E261 G275 I276 T305 Y308 I311L182-L263 HydrophobicContact CG-CD2 4.32Å; L187-L263 HydrophobicContact CD1-CD1 4.1Å; L187-L263 HydrophobicContact CD1-CD2 4.22Å; L187-L263 HydrophobicContact CD1-CG 4.11Å; L187-L263 HydrophobicContact CD2-CD2 4.49Å; L187-L263 HydrophobicContact CD2-CG 4.36Å; P260-L263 WeakPolarHBondContact O-CB 3.43Å; P260-L263 PolarHBondContact O-N 2.88Å; P260-L263 VanDerWaalsContact O-N 3.09Å; E261-L263 PolarHBondContact O-N 3.39Å; E261-L263 VanDerWaalsContact O-N 3.11Å; L263-G275 CarbonylContact O-C 3.32Å; L263-G275 VanDerWaalsContact O-CA 3.26Å; L263-G275 WeakPolarHBondContact O-CA 3.5Å; L263-I276 HydrophobicContact CB-CD1 3.96Å; L263-I276 HydrophobicContact CB-CG1 4.17Å; L263-I276 HydrophobicContact CB-CG2 4.22Å; L263-I276 HydrophobicContact CD1-CD1 4.49Å; L263-I276 HydrophobicContact CD2-CG2 4.4Å; L263-I276 PolarHBondContact O-N 3.19Å; L263-T305 HydrophobicContact CD1-CG2 3.78Å; L263-T305 HydrophobicContact CD2-CG2 4.07Å; L263-Y308 HydrophobicContact CD1-CD2 4.34Å; L263-Y308 HydrophobicContact CD1-CE2 4.25Å; L263-I311 HydrophobicContact CD1-CD1 4.47Å
264F98.7Very high97.4Very high2 Ų238 Ų381%0.00922%0.215CC..THydrogen-bonded Turntrans-92-31.3177.9-63.8-94.2000111.5V221 E261 T262 G275 I276 H277 I311 R314 M315 E318V221-F264 HydrophobicContact CG1-CD2 4.37Å; V221-F264 HydrophobicContact CG1-CE2 3.61Å; V221-F264 HydrophobicContact CG1-CZ 4.04Å; V221-F264 HydrophobicContact CG2-CE2 4.07Å; E261-F264 CarbonylContact O-C 3.54Å; E261-F264 WeakPolarHBondContact O-CA 3.34Å; E261-F264 PolarHBondContact O-N 3.28Å; T262-F264 PolarHBondContact O-N 2.86Å; F264-G275 WeakPolarHBondContact O-CA 3.26Å; F264-I276 HydrophobicContact CD1-CG1 4.31Å; F264-I276 HydrophobicContact CE1-CD1 4.16Å; F264-I276 HydrophobicContact CE1-CG1 4.07Å; F264-I276 HydrophobicContact CE2-CD1 3.96Å; F264-I276 HydrophobicContact CE2-CG1 4.41Å; F264-I276 HydrophobicContact CZ-CD1 3.73Å; F264-I276 HydrophobicContact CZ-CG1 4.13Å; F264-H277 HydrophobicContact CD1-CB 4.3Å; F264-H277 AromaticContact CD1-CG 3.95Å; F264-H277 AromaticContact CD1-ND1 3.34Å; F264-H277 VanDerWaalsContact CD1-ND1 3.34Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.19Å; F264-H277 HydrophobicContact CE1-CB 4.29Å; F264-H277 PolarHBondContact O-CE1 3.29Å; F264-I311 HydrophobicContact CE2-CG1 4.43Å; F264-I311 HydrophobicContact CZ-CG1 4.17Å; F264-R314 HydrophobicContact CD1-CG 3.89Å; F264-R314 HydrophobicContact CE1-CB 4.18Å; F264-R314 HydrophobicContact CE1-CG 3.37Å; F264-R314 HydrophobicContact CE2-CG 4.03Å; F264-R314 HydrophobicContact CG-CG 4.46Å; F264-R314 HydrophobicContact CZ-CB 3.91Å; F264-R314 HydrophobicContact CZ-CG 3.44Å; F264-R314 VanDerWaalsContact CZ-CG 3.44Å; F264-M315 HydrophobicContact CE1-CG 4.36Å; F264-M315 HydrophobicContact CE1-SD 3.9Å; F264-M315 HydrophobicContact CZ-CG 4.27Å; F264-M315 HydrophobicContact CZ-SD 4.22Å; F264-E318 HydrophobicContact CD1-CG 4.35Å; F264-E318 HydrophobicContact CE1-CG 4.45Å
265Q97.8Very high97.4Very high67 Ų6736.2 Ų36.231%0.31321%0.205SC..  trans-130.277179.4-61.1-171.9-7.400111.4E261 T262 S267 F268E261-Q265 PolarHBondContact O-N 3.34Å; T262-Q265 CarbonylContact O-C 3.54Å; T262-Q265 VanDerWaalsContact O-C 3.25Å; T262-Q265 PolarHBondContact O-N 2.83Å; Q265-S267 PolarHBondContact O-N 2.94Å; Q265-F268 HydrophobicContact CB-CD1 4.38Å; Q265-F268 HydrophobicContact CB-CD2 4.45Å; Q265-F268 HydrophobicContact CB-CE1 4.45Å; Q265-F268 HydrophobicContact CB-CG 4.4Å; Q265-F268 WeakPolarHBondContact O-CB 3.26Å; Q265-F268 PolarHBondContact O-N 3.18Å; Q265-F268 VanDerWaalsContact O-N 3.09Å
266P98.3Very high97.4Very high4 Ų436 Ų363%0.02620%0.204CC..G310 helixtrans-58.4-20.9-179-26.836.1000114.3L182 T262 F268 I269 M271 S273L182-P266 HydrophobicContact CD2-CB 4.02Å; L182-P266 HydrophobicContact CD2-CG 4.03Å; T262-P266 VanDerWaalsContact O-CA 3.26Å; T262-P266 WeakPolarHBondContact O-CA 3.34Å; T262-P266 WeakPolarHBondContact O-CD 3.19Å; T262-P266 WeakPolarHBondContact O-CG 3.08Å; P266-F268 PolarHBondContact O-N 2.78Å; P266-F268 VanDerWaalsContact O-N 3.13Å; P266-I269 WeakPolarHBondContact O-CG1 3.36Å; P266-I269 PolarHBondContact O-N 2.77Å; P266-M271 CarbonylContact C-O 3.59Å; P266-M271 HydrophobicContact CB-CB 3.77Å; P266-M271 WeakPolarHBondContact O-CB 3.48Å; P266-M271 PolarHBondContact O-N 3.28Å; P266-M271 VanDerWaalsContact O-N 3.13Å; P266-S273 WeakPolarHBondContact CG-O 3.16Å
267S96.8Very high97.4Very high80 Ų8035.3 Ų35.356%0.55920%0.202SC*.G310 helixtrans-58.7-24175.560.50000113.7Q265 I269 G270 M271Q265-S267 PolarHBondContact O-N 2.94Å; S267-I269 PolarHBondContact O-N 3.26Å; S267-G270 PolarHBondContact O-N 3.12Å; S267-M271 WeakPolarHBondContact CA-O 3.5Å; S267-M271 PolarHBondContact N-O 3.16Å
268F94.2Very high97.4Very high68 Ų6839 Ų3930%0.29822%0.219SC..G310 helixtrans-61.7-22.5175.3-78.35.2000113.7F225 E261 T262 Q265 P266F225-F268 AromaticContact CE1-CE2 3.88Å; F225-F268 HydrophobicContact CE1-CE2 3.88Å; F225-F268 AromaticContact CE1-CZ 3.8Å; F225-F268 HydrophobicContact CE1-CZ 3.8Å; F225-F268 HydrophobicContact CE2-CE2 4.26Å; F225-F268 AromaticContact CZ-CE2 3.64Å; F225-F268 HydrophobicContact CZ-CE2 3.64Å; F225-F268 HydrophobicContact CZ-CZ 4.03Å; E261-F268 HydrophobicContact CB-CD2 4.5Å; E261-F268 HydrophobicContact CB-CE2 4.33Å; E261-F268 HydrophobicContact CG-CD2 4.27Å; E261-F268 HydrophobicContact CG-CE2 3.77Å; T262-F268 HydrophobicContact CG2-CB 3.96Å; Q265-F268 HydrophobicContact CB-CD1 4.38Å; Q265-F268 HydrophobicContact CB-CD2 4.45Å; Q265-F268 HydrophobicContact CB-CE1 4.45Å; Q265-F268 HydrophobicContact CB-CG 4.4Å; Q265-F268 WeakPolarHBondContact O-CB 3.26Å; Q265-F268 PolarHBondContact O-N 3.18Å; Q265-F268 VanDerWaalsContact O-N 3.09Å; P266-F268 PolarHBondContact O-N 2.78Å; P266-F268 VanDerWaalsContact O-N 3.13Å
269I95.8Very high97.4Very high51 Ų5137 Ų3726%0.26221%0.213SC..G310 helixtrans-110.615.6174.156.4170.2000112.2L182 Y190 T262 P266 S267 M271L182-I269 HydrophobicContact CD1-CD1 3.41Å; L182-I269 VanDerWaalsContact CD1-CD1 3.41Å; L182-I269 HydrophobicContact CD2-CD1 4.09Å; L182-I269 HydrophobicContact CG-CD1 4.33Å; Y190-I269 HydrophobicContact CD1-CG2 4.09Å; Y190-I269 HydrophobicContact CD2-CG2 3.38Å; Y190-I269 HydrophobicContact CE1-CG2 4.48Å; Y190-I269 HydrophobicContact CE2-CG2 3.85Å; Y190-I269 HydrophobicContact CG-CG2 3.5Å; T262-I269 HydrophobicContact CG2-CG2 3.74Å; P266-I269 WeakPolarHBondContact O-CG1 3.36Å; P266-I269 PolarHBondContact O-N 2.77Å; S267-I269 PolarHBondContact O-N 3.26Å; I269-M271 VanDerWaalsContact C-N 3.32Å; I269-M271 HydrophobicContact CD1-CG 4.06Å; I269-M271 HydrophobicContact CD1-SD 3.47Å; I269-M271 WeakPolarHBondContact CD1-SD 3.35Å; I269-M271 HydrophobicContact CG1-CB 4.4Å; I269-M271 HydrophobicContact CG1-CG 3.98Å; I269-M271 HydrophobicContact CG1-SD 4.05Å
270G95.2Very high97.4Very high67 Ų6737 Ų3769%0.69121%0.213SC*.THydrogen-bonded Turntrans76.415.7179.300000114.3S267S267-G270 PolarHBondContact O-N 3.12Å
271M95.1Very high97.4Very high48 Ų4839.9 Ų39.924%0.23622%0.224CC..  trans-89.1121.2175.4-68179.972.600110.7L180 D181 L182 P266 S267 I269 S273L180-M271 HydrophobicContact CD1-CE 4.26Å; D181-M271 WeakPolarHBondContact O-CE 3.38Å; L182-M271 HydrophobicContact CB-CE 4.08Å; L182-M271 HydrophobicContact CB-SD 4.05Å; L182-M271 HydrophobicContact CD1-SD 4.37Å; L182-M271 HydrophobicContact CD2-SD 4.35Å; L182-M271 HydrophobicContact CG-SD 4.48Å; P266-M271 CarbonylContact C-O 3.59Å; P266-M271 HydrophobicContact CB-CB 3.77Å; P266-M271 WeakPolarHBondContact O-CB 3.48Å; P266-M271 PolarHBondContact O-N 3.28Å; P266-M271 VanDerWaalsContact O-N 3.13Å; S267-M271 WeakPolarHBondContact CA-O 3.5Å; S267-M271 PolarHBondContact N-O 3.16Å; I269-M271 VanDerWaalsContact C-N 3.32Å; I269-M271 HydrophobicContact CD1-CG 4.06Å; I269-M271 HydrophobicContact CD1-SD 3.47Å; I269-M271 WeakPolarHBondContact CD1-SD 3.35Å; I269-M271 HydrophobicContact CG1-CB 4.4Å; I269-M271 HydrophobicContact CG1-CG 3.98Å; I269-M271 HydrophobicContact CG1-SD 4.05Å; M271-S273 VanDerWaalsContact C-N 3.27Å; M271-S273 PolarHBondContact O-N 3.49Å
272E94.4Very high97.3Very high197 Ų19742.5 Ų42.592%0.92124%0.239SC*.  trans-82.174171.5-65.1-175.3177.400109.7
273S95.3Very high97.4Very high60 Ų6042.5 Ų42.542%0.4224%0.239SC..SBendtrans-145.6151.4179.2-67.30000110.5P266 M271P266-S273 WeakPolarHBondContact CG-O 3.16Å; M271-S273 VanDerWaalsContact C-N 3.27Å; M271-S273 PolarHBondContact O-N 3.49Å
274A97.7Very high97.4Very high29 Ų2942.5 Ų42.524%0.2424%0.238CC..  trans-69.9150.1174.900000110.9E278 T279A274-E278 HydrophobicContact CB-CB 3.81Å; A274-T279 HydrophobicContact CB-CG2 4.05Å
275G98.4Very high97.3Very high0 Ų044.7 Ų44.70%025%0.249CC..  trans-67.4171.5177.400000113.9L263 F264 H277 E278 T279L263-G275 CarbonylContact O-C 3.32Å; L263-G275 VanDerWaalsContact O-CA 3.26Å; L263-G275 WeakPolarHBondContact O-CA 3.5Å; F264-G275 WeakPolarHBondContact O-CA 3.26Å; G275-H277 VanDerWaalsContact C-N 3.25Å; G275-H277 PolarHBondContact O-N 3.03Å; G275-E278 PolarHBondContact O-N 3.02Å; G275-T279 WeakPolarHBondContact O-CG2 3.42Å; G275-T279 PolarHBondContact O-N 2.73Å; G275-T279 PolarHBondContact O-OG1 3.18Å
276I98.6Very high97.3Very high2 Ų246.5 Ų46.51%0.0126%0.256CS..Hα-helixtrans-60-32.7-178.957.2168.3000113.6L155 T162 N164 L180 L263 F264 T279 A280 I311 M315L155-I276 HydrophobicContact CD1-CB 4.26Å; L155-I276 HydrophobicContact CD1-CG2 4.34Å; L155-I276 HydrophobicContact CD2-CB 4.13Å; L155-I276 HydrophobicContact CD2-CD1 3.81Å; L155-I276 HydrophobicContact CD2-CG1 4.42Å; T162-I276 HydrophobicContact CG2-CG2 3.88Å; N164-I276 PolarHBondContact ND2-O 3.43Å; L180-I276 HydrophobicContact CD2-CG2 4.28Å; L263-I276 HydrophobicContact CB-CD1 3.96Å; L263-I276 HydrophobicContact CB-CG1 4.17Å; L263-I276 HydrophobicContact CB-CG2 4.22Å; L263-I276 HydrophobicContact CD1-CD1 4.49Å; L263-I276 HydrophobicContact CD2-CG2 4.4Å; L263-I276 PolarHBondContact O-N 3.19Å; F264-I276 HydrophobicContact CD1-CG1 4.31Å; F264-I276 HydrophobicContact CE1-CD1 4.16Å; F264-I276 HydrophobicContact CE1-CG1 4.07Å; F264-I276 HydrophobicContact CE2-CD1 3.96Å; F264-I276 HydrophobicContact CE2-CG1 4.41Å; F264-I276 HydrophobicContact CZ-CD1 3.73Å; F264-I276 HydrophobicContact CZ-CG1 4.13Å; I276-T279 VanDerWaalsContact CA-OG1 3.27Å; I276-T279 WeakPolarHBondContact CA-OG1 3.41Å; I276-T279 PolarHBondContact O-OG1 2.93Å; I276-T279 VanDerWaalsContact O-OG1 3.09Å; I276-A280 WeakPolarHBondContact O-CB 3.47Å; I276-A280 PolarHBondContact O-N 2.85Å; I276-I311 HydrophobicContact CD1-CD1 4.13Å; I276-I311 HydrophobicContact CD1-CG1 4.49Å; I276-M315 HydrophobicContact CD1-SD 3.81Å; I276-M315 HydrophobicContact CG1-SD 3.84Å
277H98.5Very high97.3Very high16 Ų1646.4 Ų46.47%0.07426%0.256CS..Hα-helixtrans-72.7-45.1178.161.5-69.6000111.9F264 G275 A280 Y281 M315 E318F264-H277 HydrophobicContact CD1-CB 4.3Å; F264-H277 AromaticContact CD1-CG 3.95Å; F264-H277 AromaticContact CD1-ND1 3.34Å; F264-H277 VanDerWaalsContact CD1-ND1 3.34Å; F264-H277 WeakPolarHBondContact CD1-ND1 3.19Å; F264-H277 HydrophobicContact CE1-CB 4.29Å; F264-H277 PolarHBondContact O-CE1 3.29Å; G275-H277 VanDerWaalsContact C-N 3.25Å; G275-H277 PolarHBondContact O-N 3.03Å; H277-A280 PolarHBondContact O-N 3.48Å; H277-Y281 PolarHBondContact O-N 2.75Å; H277-M315 HydrophobicContact CB-SD 3.86Å; H277-E318 HydrophobicContact CB-CB 3.66Å; H277-E318 HydrophobicContact CB-CG 4.32Å
278E98.4Very high97.3Very high77 Ų7748.2 Ų48.236%0.3626%0.259SS..Hα-helixtrans-66.2-41.3174.2-75.4176.7-107.800111.8A274 G275 A280 Y281 N282 L322A274-E278 HydrophobicContact CB-CB 3.81Å; G275-E278 PolarHBondContact O-N 3.02Å; E278-A280 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 3.32Å; E278-Y281 WeakPolarHBondContact O-CB 3.34Å; E278-Y281 PolarHBondContact O-N 2.89Å; E278-N282 VanDerWaalsContact O-CB 3.26Å; E278-N282 WeakPolarHBondContact O-CB 3.34Å; E278-N282 PolarHBondContact O-N 2.86Å; E278-N282 PolarHBondContact O-ND2 2.88Å; E278-N282 VanDerWaalsContact O-ND2 3.12Å; E278-L322 HydrophobicContact CG-CD1 4.07Å
279T98.3Very high97.4Very high9 Ų950.9 Ų50.96%0.05528%0.275CS..Hα-helixtrans-66.9-34176.851.60000112.2N164 M178 A274 G275 I276 S283N164-T279 PolarHBondContact ND2-OG1 3.02Å; M178-T279 HydrophobicContact CE-CG2 4.33Å; M178-T279 WeakPolarHBondContact CG-O 3.39Å; A274-T279 HydrophobicContact CB-CG2 4.05Å; G275-T279 WeakPolarHBondContact O-CG2 3.42Å; G275-T279 PolarHBondContact O-N 2.73Å; G275-T279 PolarHBondContact O-OG1 3.18Å; I276-T279 VanDerWaalsContact CA-OG1 3.27Å; I276-T279 WeakPolarHBondContact CA-OG1 3.41Å; I276-T279 PolarHBondContact O-OG1 2.93Å; I276-T279 VanDerWaalsContact O-OG1 3.09Å; T279-S283 VanDerWaalsContact O-CB 3.26Å; T279-S283 WeakPolarHBondContact O-CB 3.47Å; T279-S283 PolarHBondContact O-N 3.32Å
280A98.6Very high97.5Very high0 Ų055.2 Ų55.20%030%0.299CS..Hα-helixtrans-62.7-49169.700000111.2N164 I276 H277 E278 N282 S283 I284 M315 I319N164-A280 PolarHBondContact ND2-N 3.08Å; N164-A280 WeakPolarHBondContact OD1-CB 3.41Å; I276-A280 WeakPolarHBondContact O-CB 3.47Å; I276-A280 PolarHBondContact O-N 2.85Å; H277-A280 PolarHBondContact O-N 3.48Å; E278-A280 VanDerWaalsContact C-N 3.34Å; E278-A280 PolarHBondContact O-N 3.32Å; A280-N282 PolarHBondContact O-N 3.41Å; A280-S283 WeakPolarHBondContact O-CB 3.33Å; A280-S283 PolarHBondContact O-N 2.93Å; A280-I284 WeakPolarHBondContact O-CG1 3.28Å; A280-I284 PolarHBondContact O-N 3.18Å; A280-I284 VanDerWaalsContact O-N 3.08Å; A280-M315 HydrophobicContact CB-CE 4.23Å; A280-I319 HydrophobicContact CB-CD1 4.14Å
281Y98.5Very high97.6Very high59 Ų5953 Ų5323%0.23127%0.271CS..Hα-helixtrans-57.9-48.6175.4169.4-94.5000112.4H277 E278 S283 I284 M285 Y296 L322H277-Y281 PolarHBondContact O-N 2.75Å; E278-Y281 WeakPolarHBondContact O-CB 3.34Å; E278-Y281 PolarHBondContact O-N 2.89Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 3.48Å; Y281-I284 PolarHBondContact O-N 2.89Å; Y281-M285 HydrophobicContact CD1-CG 4.18Å; Y281-M285 HydrophobicContact CD2-CG 4.34Å; Y281-M285 HydrophobicContact CE1-CG 3.68Å; Y281-M285 HydrophobicContact CE2-CE 3.81Å; Y281-M285 HydrophobicContact CE2-CG 3.86Å; Y281-M285 HydrophobicContact CE2-SD 4.36Å; Y281-M285 HydrophobicContact CG-CG 4.49Å; Y281-M285 WeakPolarHBondContact O-CG 3.43Å; Y281-M285 PolarHBondContact O-N 3.2Å; Y281-Y296 VanDerWaalsContact CD2-OH 3.27Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.26Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.33Å; Y281-L322 HydrophobicContact CD2-CB 3.66Å; Y281-L322 HydrophobicContact CE2-CB 4.09Å; Y281-L322 WeakPolarHBondContact CE2-O 3.43Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.2Å
282N98.5Very high97.7Very high56 Ų5653.3 Ų53.330%0.29927%0.269SS..Hα-helixtrans-62.9-37.7-179.9-72.5-28.5000111.7M178 E278 A280 M285 K286M178-N282 HydrophobicContact CE-CB 4.21Å; E278-N282 VanDerWaalsContact O-CB 3.26Å; E278-N282 WeakPolarHBondContact O-CB 3.34Å; E278-N282 PolarHBondContact O-N 2.86Å; E278-N282 PolarHBondContact O-ND2 2.88Å; E278-N282 VanDerWaalsContact O-ND2 3.12Å; A280-N282 PolarHBondContact O-N 3.41Å; N282-M285 PolarHBondContact O-N 2.65Å; N282-K286 WeakPolarHBondContact O-CG 3.19Å; N282-K286 PolarHBondContact O-N 2.95Å; N282-K286 VanDerWaalsContact O-N 3.08Å
283S98.7Very high97.8Very high0 Ų050.6 Ų50.60%026%0.255CS..Hα-helixtrans-60.4-49.6173.21800000111.1I153 P166 A176 T279 A280 Y281 M285 K286 C287I153-S283 WeakPolarHBondContact CD1-OG 3.44Å; P166-S283 VanDerWaalsContact CD-OG 3.28Å; P166-S283 WeakPolarHBondContact CD-OG 3.39Å; P166-S283 WeakPolarHBondContact CG-OG 3.44Å; A176-S283 WeakPolarHBondContact O-CB 3.41Å; A176-S283 PolarHBondContact O-OG 2.84Å; T279-S283 VanDerWaalsContact O-CB 3.26Å; T279-S283 WeakPolarHBondContact O-CB 3.47Å; T279-S283 PolarHBondContact O-N 3.32Å; A280-S283 WeakPolarHBondContact O-CB 3.33Å; A280-S283 PolarHBondContact O-N 2.93Å; Y281-S283 VanDerWaalsContact C-N 3.31Å; Y281-S283 PolarHBondContact O-N 3.48Å; S283-M285 VanDerWaalsContact C-N 3.3Å; S283-M285 PolarHBondContact O-N 3.08Å; S283-K286 WeakPolarHBondContact O-CB 3.43Å; S283-K286 PolarHBondContact O-N 3.45Å; S283-K286 VanDerWaalsContact O-N 3.13Å; S283-C287 PolarHBondContact O-N 2.89Å; S283-C287 PolarHBondContact O-SG 2.99Å; S283-C287 VanDerWaalsContact O-SG 3.4Å
284I98.5Very high98Very high0 Ų051.2 Ų51.20%025%0.253CS..Hα-helixtrans-62.1-38.2176.5-61.6171.6000111.4I153 A280 Y281 K286 C287 R292 L295 Y296I153-I284 HydrophobicContact CD1-CD1 4.32Å; I153-I284 HydrophobicContact CD1-CG1 3.71Å; I153-I284 HydrophobicContact CG2-CD1 4.1Å; I153-I284 HydrophobicContact CG2-CG1 4.39Å; A280-I284 WeakPolarHBondContact O-CG1 3.28Å; A280-I284 PolarHBondContact O-N 3.18Å; A280-I284 VanDerWaalsContact O-N 3.08Å; Y281-I284 PolarHBondContact O-N 2.89Å; I284-K286 VanDerWaalsContact C-N 3.25Å; I284-K286 PolarHBondContact O-N 3.01Å; I284-C287 WeakPolarHBondContact O-CB 3.49Å; I284-C287 PolarHBondContact O-N 2.87Å; I284-C287 VanDerWaalsContact O-N 3.12Å; I284-R292 HydrophobicContact CG2-CB 3.8Å; I284-R292 HydrophobicContact CG2-CG 3.84Å; I284-R292 PolarHBondContact O-NE 3.45Å; I284-L295 HydrophobicContact CD1-CB 4.27Å; I284-L295 HydrophobicContact CG1-CB 4.02Å; I284-L295 HydrophobicContact CG1-CD1 4.39Å; I284-L295 HydrophobicContact CG2-CB 4.26Å; I284-L295 HydrophobicContact CG2-CD1 4.34Å; I284-Y296 HydrophobicContact CB-CE1 4.37Å; I284-Y296 HydrophobicContact CD1-CD1 3.38Å; I284-Y296 HydrophobicContact CD1-CE1 3.41Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.41Å; I284-Y296 HydrophobicContact CD1-CG 4.06Å; I284-Y296 HydrophobicContact CG1-CE1 4.49Å; I284-Y296 HydrophobicContact CG2-CD1 4.47Å; I284-Y296 HydrophobicContact CG2-CD2 4.05Å; I284-Y296 HydrophobicContact CG2-CE1 4.11Å; I284-Y296 HydrophobicContact CG2-CE2 3.65Å; I284-Y296 HydrophobicContact CG2-CG 4.44Å
285M97.8Very high98Very high49 Ų4949.8 Ų49.824%0.24124%0.241CC..Hα-helixtrans-69.1-20.7178.3-75.6-65.2132.600113.9Y281 N282 S283 C287 R292 Y296Y281-M285 HydrophobicContact CD1-CG 4.18Å; Y281-M285 HydrophobicContact CD2-CG 4.34Å; Y281-M285 HydrophobicContact CE1-CG 3.68Å; Y281-M285 HydrophobicContact CE2-CE 3.81Å; Y281-M285 HydrophobicContact CE2-CG 3.86Å; Y281-M285 HydrophobicContact CE2-SD 4.36Å; Y281-M285 HydrophobicContact CG-CG 4.49Å; Y281-M285 WeakPolarHBondContact O-CG 3.43Å; Y281-M285 PolarHBondContact O-N 3.2Å; N282-M285 PolarHBondContact O-N 2.65Å; S283-M285 VanDerWaalsContact C-N 3.3Å; S283-M285 PolarHBondContact O-N 3.08Å; M285-C287 VanDerWaalsContact C-N 3.35Å; M285-R292 PolarHBondContact O-NH2 3.49Å; M285-R292 PolarHBondContact SD-NH1 3.2Å; M285-Y296 HydrophobicContact CE-CE2 4.13Å; M285-Y296 WeakPolarHBondContact CE-OH 3.26Å
286K98.3Very high98Very high105 Ų10549.8 Ų49.846%0.45724%0.241SC..Hα-helixtrans-80.3-17.2171.6-74.1176.7176.4-175.10113.1A176 M178 N282 S283 I284A176-K286 HydrophobicContact CB-CB 3.7Å; M178-K286 HydrophobicContact SD-CD 4.19Å; M178-K286 PolarHBondContact SD-NZ 3.37Å; N282-K286 WeakPolarHBondContact O-CG 3.19Å; N282-K286 PolarHBondContact O-N 2.95Å; N282-K286 VanDerWaalsContact O-N 3.08Å; S283-K286 WeakPolarHBondContact O-CB 3.43Å; S283-K286 PolarHBondContact O-N 3.45Å; S283-K286 VanDerWaalsContact O-N 3.13Å; I284-K286 VanDerWaalsContact C-N 3.25Å; I284-K286 PolarHBondContact O-N 3.01Å
287C98.2Very high97.9Very high2 Ų251 Ų511%0.01425%0.252CS..SBendtrans-80.2159.7176.5-62.20000112.2A176 S283 I284 M285 I291 R292 L295A176-C287 VanDerWaalsContact CB-SG 3.6Å; S283-C287 PolarHBondContact O-N 2.89Å; S283-C287 PolarHBondContact O-SG 2.99Å; S283-C287 VanDerWaalsContact O-SG 3.4Å; I284-C287 WeakPolarHBondContact O-CB 3.49Å; I284-C287 PolarHBondContact O-N 2.87Å; I284-C287 VanDerWaalsContact O-N 3.12Å; M285-C287 VanDerWaalsContact C-N 3.35Å; C287-I291 HydrophobicContact CB-CD1 3.94Å; C287-I291 HydrophobicContact CB-CG1 4.04Å; C287-R292 VanDerWaalsContact O-CZ 3.29Å; C287-R292 PolarHBondContact O-NE 3.36Å; C287-R292 PolarHBondContact O-NH2 3.38Å; C287-L295 HydrophobicContact CB-CD1 3.78Å; C287-L295 VanDerWaalsContact SG-CD1 3.57Å
288D97.1Very high97.9Very high118 Ų11851.8 Ų51.863%0.63126%0.256SS*.  trans-58.8143.7174.5-68.7-37.2000112.1D290 I291 R292D288-D290 PolarHBondContact O-N 3.08Å; D288-D290 VanDerWaalsContact O-N 3.16Å; D288-I291 WeakPolarHBondContact O-CG1 3.25Å; D288-I291 PolarHBondContact O-N 3.36Å; D288-R292 WeakPolarHBondContact O-CG 3.33Å
289I96.3Very high97.9Very high124 Ų12448.4 Ų48.464%0.63624%0.241SC*.Hα-helixtrans-57.2-34.9-173.3-166.7167000112.9I291 R292I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3.13Å; I289-R292 PolarHBondContact O-N 3.35Å
290D96.4Very high97.9Very high141 Ų14148 Ų4875%0.75424%0.238SC*.Hα-helixtrans-67.7-28.7-174.4-64.1-24.8000112.7D288D288-D290 PolarHBondContact O-N 3.08Å; D288-D290 VanDerWaalsContact O-N 3.16Å
291I97.2Very high97.9Very high20 Ų2048 Ų4810%0.10324%0.238CC..Hα-helixtrans-96.3-14.4-177.670.1167.4000113.2Y168 L173 C287 D288 I289 K293 D294 L295Y168-I291 HydrophobicContact CD2-CB 4Å; Y168-I291 HydrophobicContact CD2-CD1 4.24Å; Y168-I291 HydrophobicContact CD2-CG2 3.57Å; Y168-I291 HydrophobicContact CE2-CB 4.21Å; Y168-I291 HydrophobicContact CE2-CG2 3.43Å; Y168-I291 VanDerWaalsContact CE2-CG2 3.43Å; Y168-I291 HydrophobicContact CG-CD1 4.42Å; Y168-I291 HydrophobicContact CG-CG2 4.36Å; L173-I291 HydrophobicContact CD1-CD1 3.53Å; C287-I291 HydrophobicContact CB-CD1 3.94Å; C287-I291 HydrophobicContact CB-CG1 4.04Å; D288-I291 WeakPolarHBondContact O-CG1 3.25Å; D288-I291 PolarHBondContact O-N 3.36Å; I289-I291 VanDerWaalsContact C-N 3.29Å; I289-I291 PolarHBondContact O-N 3.13Å; I291-K293 PolarHBondContact O-N 3.02Å; I291-D294 PolarHBondContact O-N 3.45Å; I291-L295 HydrophobicContact CD1-CD1 4.1Å; I291-L295 HydrophobicContact CG1-CD1 4.15Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 2.77Å; I291-L295 VanDerWaalsContact O-N 3.07Å
292R98Very high97.9Very high55 Ų5545.2 Ų45.221%0.20823%0.227CC..Hα-helixtrans-58.3-36.3-174.8-62.6-173.4-171.5178.20.1113I284 M285 C287 D288 I289 D294 L295 Y296I284-R292 HydrophobicContact CG2-CB 3.8Å; I284-R292 HydrophobicContact CG2-CG 3.84Å; I284-R292 PolarHBondContact O-NE 3.45Å; M285-R292 PolarHBondContact O-NH2 3.49Å; M285-R292 PolarHBondContact SD-NH1 3.2Å; C287-R292 VanDerWaalsContact O-CZ 3.29Å; C287-R292 PolarHBondContact O-NE 3.36Å; C287-R292 PolarHBondContact O-NH2 3.38Å; D288-R292 WeakPolarHBondContact O-CG 3.33Å; I289-R292 PolarHBondContact O-N 3.35Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 3.4Å; R292-L295 PolarHBondContact O-N 2.82Å; R292-Y296 HydrophobicContact CB-CD2 4.36Å; R292-Y296 HydrophobicContact CB-CE2 4.33Å; R292-Y296 WeakPolarHBondContact O-CB 3.4Å; R292-Y296 WeakPolarHBondContact O-CD2 3.15Å; R292-Y296 PolarHBondContact O-N 3.04Å
293K97.6Very high97.9Very high141 Ų14142.9 Ų42.961%0.61322%0.217SC*.Hα-helixtrans-57.8-44.4177-179.8-173.1172.4-169.30111.2I291 A297 M327I291-K293 PolarHBondContact O-N 3.02Å; K293-A297 WeakPolarHBondContact O-CB 3.31Å; K293-A297 PolarHBondContact O-N 3.4Å; K293-M327 HydrophobicContact CB-SD 4.16Å; K293-M327 HydrophobicContact CG-SD 4.49Å
294D97.6Very high97.9Very high72 Ų7245 Ų4539%0.38524%0.238SC..Hα-helixtrans-74-35.7-178.9-63.4-35.7000111.8T151 I291 R292 A297 N298T151-D294 HydrophobicContact CG2-CB 3.91Å; I291-D294 PolarHBondContact O-N 3.45Å; R292-D294 VanDerWaalsContact C-N 3.29Å; R292-D294 PolarHBondContact O-N 3.4Å; D294-A297 PolarHBondContact O-N 3.1Å; D294-N298 WeakPolarHBondContact O-CB 3.13Å; D294-N298 PolarHBondContact O-N 2.92Å; D294-N298 VanDerWaalsContact O-N 3.16Å; D294-N298 PolarHBondContact O-ND2 2.8Å
295L98.3Very high97.8Very high0 Ų045.4 Ų45.40%024%0.241CC..Hα-helixtrans-62.6-47.3172.8-60.1-179.3000111.3T151 G152 P166 I284 C287 I291 R292 A297 N298 N299T151-L295 HydrophobicContact CG2-CD2 4.4Å; G152-L295 VanDerWaalsContact C-CD2 3.45Å; G152-L295 WeakPolarHBondContact O-CD2 3.42Å; P166-L295 HydrophobicContact CB-CD1 4.11Å; P166-L295 HydrophobicContact CB-CD2 4.37Å; I284-L295 HydrophobicContact CD1-CB 4.27Å; I284-L295 HydrophobicContact CG1-CB 4.02Å; I284-L295 HydrophobicContact CG1-CD1 4.39Å; I284-L295 HydrophobicContact CG2-CB 4.26Å; I284-L295 HydrophobicContact CG2-CD1 4.34Å; C287-L295 HydrophobicContact CB-CD1 3.78Å; C287-L295 VanDerWaalsContact SG-CD1 3.57Å; I291-L295 HydrophobicContact CD1-CD1 4.1Å; I291-L295 HydrophobicContact CG1-CD1 4.15Å; I291-L295 WeakPolarHBondContact O-CG 3.34Å; I291-L295 PolarHBondContact O-N 2.77Å; I291-L295 VanDerWaalsContact O-N 3.07Å; R292-L295 PolarHBondContact O-N 2.82Å; L295-A297 VanDerWaalsContact C-N 3.3Å; L295-A297 PolarHBondContact O-N 2.89Å; L295-N298 CarbonylContact O-C 3.44Å; L295-N298 PolarHBondContact O-N 3.44Å; L295-N298 VanDerWaalsContact O-N 3.13Å; L295-N299 PolarHBondContact O-ND2 2.93Å
296Y98.3Very high97.9Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-62.4-35.1175.9-81.1-51.6000113.4Y281 I284 M285 R292 N298 N299 I319 A323 M327 K328 I329 K330Y281-Y296 VanDerWaalsContact CD2-OH 3.27Å; Y281-Y296 WeakPolarHBondContact CD2-OH 3.26Å; Y281-Y296 WeakPolarHBondContact CE2-OH 3.33Å; I284-Y296 HydrophobicContact CB-CE1 4.37Å; I284-Y296 HydrophobicContact CD1-CD1 3.38Å; I284-Y296 HydrophobicContact CD1-CE1 3.41Å; I284-Y296 VanDerWaalsContact CD1-CE1 3.41Å; I284-Y296 HydrophobicContact CD1-CG 4.06Å; I284-Y296 HydrophobicContact CG1-CE1 4.49Å; I284-Y296 HydrophobicContact CG2-CD1 4.47Å; I284-Y296 HydrophobicContact CG2-CD2 4.05Å; I284-Y296 HydrophobicContact CG2-CE1 4.11Å; I284-Y296 HydrophobicContact CG2-CE2 3.65Å; I284-Y296 HydrophobicContact CG2-CG 4.44Å; M285-Y296 HydrophobicContact CE-CE2 4.13Å; M285-Y296 WeakPolarHBondContact CE-OH 3.26Å; R292-Y296 HydrophobicContact CB-CD2 4.36Å; R292-Y296 HydrophobicContact CB-CE2 4.33Å; R292-Y296 WeakPolarHBondContact O-CB 3.4Å; R292-Y296 WeakPolarHBondContact O-CD2 3.15Å; R292-Y296 PolarHBondContact O-N 3.04Å; Y296-N298 VanDerWaalsContact C-N 3.25Å; Y296-N298 PolarHBondContact O-N 3.18Å; Y296-N299 PolarHBondContact O-ND2 2.95Å; Y296-I319 HydrophobicContact CD1-CG2 4.03Å; Y296-I319 HydrophobicContact CE1-CG2 3.99Å; Y296-A323 HydrophobicContact CD1-CB 4.21Å; Y296-A323 HydrophobicContact CE1-CB 3.67Å; Y296-A323 HydrophobicContact CE2-CB 4.31Å; Y296-M327 HydrophobicContact CD2-CB 3.94Å; Y296-M327 HydrophobicContact CD2-CG 3.69Å; Y296-M327 HydrophobicContact CD2-SD 4Å; Y296-M327 HydrophobicContact CE2-CB 4.46Å; Y296-M327 HydrophobicContact CE2-CG 3.96Å; Y296-M327 HydrophobicContact CG-CB 4.32Å; Y296-K328 CarbonylContact C-O 3.35Å; Y296-I329 HydrophobicContact CD1-CD1 3.36Å; Y296-I329 HydrophobicContact CD2-CD1 4.44Å; Y296-I329 HydrophobicContact CE1-CD1 4.12Å; Y296-I329 HydrophobicContact CG-CD1 3.56Å; Y296-I329 WeakPolarHBondContact O-CA 2.97Å; Y296-K330 PolarHBondContact O-N 2.93Å
297A97.7Very high97.9Very high27 Ų2741.2 Ų41.222%0.22322%0.223CC..Hα-helixtrans-77.6-8.4177.700000113.7K293 D294 L295 K330K293-A297 WeakPolarHBondContact O-CB 3.31Å; K293-A297 PolarHBondContact O-N 3.4Å; D294-A297 PolarHBondContact O-N 3.1Å; L295-A297 VanDerWaalsContact C-N 3.3Å; L295-A297 PolarHBondContact O-N 2.89Å; A297-K330 WeakPolarHBondContact O-CB 3.34Å
298N98Very high97.9Very high33 Ų3341.8 Ų41.818%0.17623%0.225CC..  trans-139.964.6-176.1-61.6-68.2000111.7R149 G152 I153 D294 L295 Y296 I332R149-N298 WeakPolarHBondContact CD-OD1 3.46Å; R149-N298 PolarHBondContact NE-OD1 3.22Å; G152-N298 CarbonylContact C-O 3.57Å; G152-N298 VanDerWaalsContact CA-O 3.29Å; G152-N298 WeakPolarHBondContact CA-O 3.47Å; I153-N298 PolarHBondContact N-O 3.3Å; D294-N298 WeakPolarHBondContact O-CB 3.13Å; D294-N298 PolarHBondContact O-N 2.92Å; D294-N298 VanDerWaalsContact O-N 3.16Å; D294-N298 PolarHBondContact O-ND2 2.8Å; L295-N298 CarbonylContact O-C 3.44Å; L295-N298 PolarHBondContact O-N 3.44Å; L295-N298 VanDerWaalsContact O-N 3.13Å; Y296-N298 VanDerWaalsContact C-N 3.25Å; Y296-N298 PolarHBondContact O-N 3.18Å; N298-I332 HydrophobicContact CB-CD1 4.33Å
299N98.5Very high98Very high5 Ų540.3 Ų40.33%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-87.6103.9171.7-69.5-103.1000109.4I153 L295 Y296 K330 I331 I332I153-N299 HydrophobicContact CG2-CB 4.08Å; I153-N299 VanDerWaalsContact CG2-CG 3.49Å; I153-N299 WeakPolarHBondContact CG2-OD1 3.11Å; I153-N299 CarbonylContact O-C 3.59Å; I153-N299 WeakPolarHBondContact O-CA 3.5Å; L295-N299 PolarHBondContact O-ND2 2.93Å; Y296-N299 PolarHBondContact O-ND2 2.95Å; N299-K330 WeakPolarHBondContact CB-O 3.36Å; N299-K330 PolarHBondContact N-O 3.4Å; N299-K330 VanDerWaalsContact N-O 3.1Å; N299-I331 HydrophobicContact CB-CD1 3.62Å; N299-I331 CarbonylContact O-C 3.53Å; N299-I332 PolarHBondContact O-N 2.91Å
300V98.7Very high98.1Very high0 Ų035.7 Ų35.70%021%0.205CC..EExtended strand (participates in β ladder)trans-96.5127.4-177.9-178.10000110.2L144 I153 V154 L155 I332L144-V300 HydrophobicContact CD1-CB 4.41Å; L144-V300 HydrophobicContact CD1-CG2 3.71Å; I153-V300 PolarHBondContact O-N 2.81Å; V154-V300 CarbonylContact C-O 3.57Å; V154-V300 WeakPolarHBondContact CA-O 3.04Å; V154-V300 HydrophobicContact CG2-CB 4.35Å; L155-V300 PolarHBondContact N-O 3.06Å; V300-I332 WeakPolarHBondContact CA-O 3.44Å; V300-I332 HydrophobicContact CG2-CB 4.16Å; V300-I332 HydrophobicContact CG2-CD1 3.94Å; V300-I332 HydrophobicContact CG2-CG2 4.38Å
301L98.8Very high98.2Very high1 Ų129 Ų291%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-90.4130.5173-55.8-167.4000109.9L155 T306 I311 A312 I331 I332 A333 R337L155-L301 HydrophobicContact CB-CD2 3.89Å; L155-L301 HydrophobicContact CD2-CD2 3.92Å; L155-L301 HydrophobicContact CG-CD2 4.32Å; L301-T306 HydrophobicContact CB-CG2 4.35Å; L301-I311 HydrophobicContact CD1-CG2 3.99Å; L301-A312 HydrophobicContact CD1-CB 4.16Å; L301-I331 HydrophobicContact CD1-CG2 3.87Å; L301-I331 HydrophobicContact CD2-CG2 4.16Å; L301-I331 HydrophobicContact CG-CG2 3.81Å; L301-I332 PolarHBondContact N-O 2.86Å; L301-A333 HydrophobicContact CB-CB 4.3Å; L301-A333 HydrophobicContact CD1-CB 3.94Å; L301-A333 HydrophobicContact CG-CB 4.27Å; L301-R337 WeakPolarHBondContact O-CB 3.43Å
302S98.5Very high98.3Very high0 Ų029.4 Ų29.40%018%0.175CC..EExtended strand (participates in β ladder)trans-136.6157.9177.9-166.70000111.7S143 L155 D156 A157 T306S143-S302 WeakPolarHBondContact CB-OG 3.31Å; S143-S302 WeakPolarHBondContact OG-CB 3.34Å; S143-S302 PolarHBondContact OG-OG 2.93Å; L155-S302 PolarHBondContact O-N 2.8Å; D156-S302 WeakPolarHBondContact CA-O 3.47Å; A157-S302 PolarHBondContact N-O 2.99Å; S302-T306 WeakPolarHBondContact O-CG2 3.45Å; S302-T306 PolarHBondContact O-OG1 3.32Å
303G97.9Very high98.3Very high8 Ų831.8 Ų31.88%0.08219%0.192CC..SBendtrans87.7158.2175.100000114.3A157 T305 T306 R337A157-G303 CarbonylContact O-C 3.56Å; A157-G303 WeakPolarHBondContact O-CA 3.39Å; G303-T305 VanDerWaalsContact C-N 3.33Å; G303-T305 PolarHBondContact O-N 3.02Å; G303-T306 PolarHBondContact O-N 3.36Å; G303-T306 VanDerWaalsContact O-N 3.17Å; G303-T306 PolarHBondContact O-OG1 2.88Å; G303-R337 PolarHBondContact N-O 2.83Å; G303-R337 VanDerWaalsContact N-O 3.16Å
304G97.3Very high98.4Very high44 Ų4425.6 Ų25.645%0.45417%0.165SC..G310 helixtrans-63.3-32.7-171.200000114.5A157 T306 M307A157-G304 PolarHBondContact O-N 3.47Å; G304-T306 PolarHBondContact O-N 3.2Å; G304-M307 WeakPolarHBondContact O-CB 3.43Å; G304-M307 VanDerWaalsContact O-CG 3.24Å; G304-M307 WeakPolarHBondContact O-CG 3.33Å; G304-M307 PolarHBondContact O-N 3.15Å; G304-M307 VanDerWaalsContact O-N 3.08Å
305T98.4Very high98.4Very high9 Ų922.2 Ų22.26%0.05515%0.147CC..G310 helixtrans-70.7-22.2179.4-66.30000111.8A157 G158 G184 L187 L263 G303 M307 Y308A157-T305 HydrophobicContact CB-CG2 4.05Å; A157-T305 WeakPolarHBondContact O-CB 3.21Å; A157-T305 PolarHBondContact O-N 3.25Å; G158-T305 PolarHBondContact O-OG1 2.93Å; G184-T305 WeakPolarHBondContact CA-OG1 3.36Å; G184-T305 PolarHBondContact N-OG1 3.46Å; L187-T305 HydrophobicContact CD1-CG2 3.8Å; L263-T305 HydrophobicContact CD1-CG2 3.78Å; L263-T305 HydrophobicContact CD2-CG2 4.07Å; G303-T305 VanDerWaalsContact C-N 3.33Å; G303-T305 PolarHBondContact O-N 3.02Å; T305-M307 PolarHBondContact O-N 3.23Å; T305-Y308 HydrophobicContact CG2-CE2 4.23Å; T305-Y308 WeakPolarHBondContact O-CD2 3.34Å
306T98.7Very high98.4Very high0 Ų025.1 Ų25.10%016%0.16CC..G310 helixtrans-805.1172.373.90000113.6L155 A157 L301 S302 G303 G304 Y308 I311 R337L155-T306 HydrophobicContact CG-CG2 4.37Å; A157-T306 HydrophobicContact CB-CG2 3.78Å; L301-T306 HydrophobicContact CB-CG2 4.35Å; S302-T306 WeakPolarHBondContact O-CG2 3.45Å; S302-T306 PolarHBondContact O-OG1 3.32Å; G303-T306 PolarHBondContact O-N 3.36Å; G303-T306 VanDerWaalsContact O-N 3.17Å; G303-T306 PolarHBondContact O-OG1 2.88Å; G304-T306 PolarHBondContact O-N 3.2Å; T306-Y308 VanDerWaalsContact C-N 3.28Å; T306-Y308 PolarHBondContact O-N 2.87Å; T306-I311 VanDerWaalsContact O-CG2 3.29Å; T306-I311 WeakPolarHBondContact O-CG2 3.2Å; T306-R337 VanDerWaalsContact O-CZ 3.28Å; T306-R337 PolarHBondContact O-NE 2.95Å; T306-R337 PolarHBondContact O-NH2 2.89Å
307M98.4Very high98.5Very high65 Ų6528.9 Ų28.932%0.3218%0.177SC..G310 helixtrans-78.7-7.4179-64.6-63.9-60.700113.9G304 T305 R337 K338G304-M307 WeakPolarHBondContact O-CB 3.43Å; G304-M307 VanDerWaalsContact O-CG 3.24Å; G304-M307 WeakPolarHBondContact O-CG 3.33Å; G304-M307 PolarHBondContact O-N 3.15Å; G304-M307 VanDerWaalsContact O-N 3.08Å; T305-M307 PolarHBondContact O-N 3.23Å; M307-R337 HydrophobicContact SD-CG 3.48Å; M307-R337 WeakPolarHBondContact SD-CG 3.39Å; M307-K338 HydrophobicContact CE-CG 4.43Å; M307-K338 HydrophobicContact CG-CB 4Å; M307-K338 HydrophobicContact SD-CB 3.91Å; M307-K338 HydrophobicContact SD-CG 4.22Å
308Y98.6Very high98.5Very high15 Ų1529.4 Ų29.46%0.05918%0.175CC..SBendtrans-56.4132.5177.9-71.7-59.5000112.1L187 K215 C219 V221 P260 L263 T305 T306 G310 I311L187-Y308 HydrophobicContact CD1-CE2 3.69Å; L187-Y308 WeakPolarHBondContact CD1-OH 3.19Å; K215-Y308 VanDerWaalsContact CD-OH 3.25Å; K215-Y308 WeakPolarHBondContact CD-OH 3.32Å; K215-Y308 HydrophobicContact CG-CE1 4.28Å; K215-Y308 WeakPolarHBondContact CG-OH 3.05Å; C219-Y308 HydrophobicContact CB-CD1 4.13Å; C219-Y308 HydrophobicContact CB-CE1 3.62Å; V221-Y308 HydrophobicContact CG2-CD2 4.43Å; V221-Y308 HydrophobicContact CG2-CG 4.37Å; P260-Y308 HydrophobicContact CB-CD1 4.4Å; P260-Y308 HydrophobicContact CB-CD2 3.82Å; P260-Y308 HydrophobicContact CB-CE1 4.32Å; P260-Y308 HydrophobicContact CB-CE2 3.69Å; P260-Y308 HydrophobicContact CB-CG 4.17Å; L263-Y308 HydrophobicContact CD1-CD2 4.34Å; L263-Y308 HydrophobicContact CD1-CE2 4.25Å; T305-Y308 HydrophobicContact CG2-CE2 4.23Å; T305-Y308 WeakPolarHBondContact O-CD2 3.34Å; T306-Y308 VanDerWaalsContact C-N 3.28Å; T306-Y308 PolarHBondContact O-N 2.87Å; Y308-G310 PolarHBondContact O-N 3.29Å; Y308-I311 WeakPolarHBondContact O-CG2 3.27Å; Y308-I311 PolarHBondContact O-N 3.09Å
309P98.7Very high98.5Very high86 Ų8627.9 Ų27.956%0.55817%0.166SC*.THydrogen-bonded Turntrans-55.4140.4166.5-23.233.7000110.7V221 I311V221-P309 PolarHBondContact N-O 3.01Å; P309-I311 VanDerWaalsContact C-N 3.3Å; P309-I311 PolarHBondContact O-N 3.47Å
310G98.6Very high98.5Very high27 Ų2731.2 Ų31.228%0.27819%0.187SC..THydrogen-bonded Turntrans82.1-10.7178.100000116.1Y308 A312 D313 R314Y308-G310 PolarHBondContact O-N 3.29Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 3.28Å; G310-D313 PolarHBondContact O-N 3.12Å; G310-R314 PolarHBondContact O-N 3.2Å
311I98.8Very high98.5Very high2 Ų235.1 Ų35.11%0.0122%0.219CC..Hα-helixtrans-63.7-37.4-176.9-164.1175.1000112.8V221 L263 F264 I276 L301 T306 Y308 P309 R314 M315V221-I311 HydrophobicContact CB-CB 4.3Å; V221-I311 HydrophobicContact CG2-CB 3.92Å; V221-I311 HydrophobicContact CG2-CG1 4.1Å; L263-I311 HydrophobicContact CD1-CD1 4.47Å; F264-I311 HydrophobicContact CE2-CG1 4.43Å; F264-I311 HydrophobicContact CZ-CG1 4.17Å; I276-I311 HydrophobicContact CD1-CD1 4.13Å; I276-I311 HydrophobicContact CD1-CG1 4.49Å; L301-I311 HydrophobicContact CD1-CG2 3.99Å; T306-I311 VanDerWaalsContact O-CG2 3.29Å; T306-I311 WeakPolarHBondContact O-CG2 3.2Å; Y308-I311 WeakPolarHBondContact O-CG2 3.27Å; Y308-I311 PolarHBondContact O-N 3.09Å; P309-I311 VanDerWaalsContact C-N 3.3Å; P309-I311 PolarHBondContact O-N 3.47Å; I311-R314 PolarHBondContact O-N 3.41Å; I311-M315 HydrophobicContact CG1-CG 4.38Å; I311-M315 WeakPolarHBondContact O-CB 3.44Å; I311-M315 VanDerWaalsContact O-CG 3.26Å; I311-M315 WeakPolarHBondContact O-CG 3.16Å; I311-M315 PolarHBondContact O-N 3.46Å
312A98.7Very high98.4Very high27 Ų2738.1 Ų38.122%0.22324%0.235CC..Hα-helixtrans-65.5-42.717900000111.4L301 G310 M315 Q316 I331 A333L301-A312 HydrophobicContact CD1-CB 4.16Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 3.28Å; A312-M315 PolarHBondContact O-N 2.87Å; A312-Q316 VanDerWaalsContact O-CB 3.31Å; A312-Q316 WeakPolarHBondContact O-CB 3.06Å; A312-Q316 PolarHBondContact O-N 3.42Å; A312-I331 HydrophobicContact CB-CG2 4.03Å; A312-A333 HydrophobicContact CB-CB 3.96Å
313D98.7Very high98.3Very high105 Ų10538.6 Ų38.656%0.56124%0.239SC*.Hα-helixtrans-67.9-41.2178.4-57.6-54.3000111.4L223 G310 Q316 K317L223-D313 HydrophobicContact CD1-CB 4.15Å; G310-D313 PolarHBondContact O-N 3.12Å; D313-Q316 WeakPolarHBondContact O-CB 3.5Å; D313-Q316 PolarHBondContact O-N 3.1Å; D313-K317 PolarHBondContact O-N 3.47Å
314R98.8Very high98.2Very high11 Ų1141 Ų414%0.04225%0.253CS..Hα-helixtrans-63.4-47.6174.4-175.164.9176.2-72.1-8.9111.3V221 A222 L223 E261 F264 G310 I311 Q316 K317 E318V221-R314 HydrophobicContact CG1-CB 3.49Å; V221-R314 VanDerWaalsContact CG1-CB 3.49Å; V221-R314 HydrophobicContact CG1-CG 3.69Å; A222-R314 WeakPolarHBondContact O-CD 3.26Å; A222-R314 PolarHBondContact O-NH1 2.92Å; L223-R314 WeakPolarHBondContact O-CD 3.33Å; E261-R314 IonicContact OE1-CZ 3.14Å; E261-R314 IonicContact OE1-NH1 3.5Å; E261-R314 PolarHBondContact OE1-NH1 2.96Å; E261-R314 IonicContact OE1-NH2 3.22Å; E261-R314 PolarHBondContact OE1-NH2 3.13Å; E261-R314 IonicContact OE2-CZ 2.72Å; E261-R314 IonicContact OE2-NH1 3.79Å; E261-R314 PolarHBondContact OE2-NH1 2.85Å; E261-R314 IonicContact OE2-NH2 3.16Å; F264-R314 HydrophobicContact CD1-CG 3.89Å; F264-R314 HydrophobicContact CE1-CB 4.18Å; F264-R314 HydrophobicContact CE1-CG 3.37Å; F264-R314 HydrophobicContact CE2-CG 4.03Å; F264-R314 HydrophobicContact CG-CG 4.46Å; F264-R314 HydrophobicContact CZ-CB 3.91Å; F264-R314 HydrophobicContact CZ-CG 3.44Å; F264-R314 VanDerWaalsContact CZ-CG 3.44Å; G310-R314 PolarHBondContact O-N 3.2Å; I311-R314 PolarHBondContact O-N 3.41Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.96Å; R314-K317 PolarHBondContact O-N 2.87Å; R314-E318 HydrophobicContact CG-CG 4.26Å; R314-E318 IonicContact CZ-OE1 2.8Å; R314-E318 IonicContact NE-OE1 3.6Å; R314-E318 PolarHBondContact NE-OE1 3.24Å; R314-E318 IonicContact NH2-OE1 3.35Å; R314-E318 PolarHBondContact NH2-OE1 3.47Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.32Å; R314-E318 PolarHBondContact O-N 2.95Å
315M98.7Very high98.1Very high2 Ų245 Ų451%0.0127%0.274CS..Hα-helixtrans-58.5-40.5174.6-75.6-66.3-72.900112.1L155 F264 I276 H277 A280 I311 A312 I319 I331L155-M315 HydrophobicContact CD2-CE 3.71Å; L155-M315 HydrophobicContact CD2-SD 4.22Å; F264-M315 HydrophobicContact CE1-CG 4.36Å; F264-M315 HydrophobicContact CE1-SD 3.9Å; F264-M315 HydrophobicContact CZ-CG 4.27Å; F264-M315 HydrophobicContact CZ-SD 4.22Å; I276-M315 HydrophobicContact CD1-SD 3.81Å; I276-M315 HydrophobicContact CG1-SD 3.84Å; H277-M315 HydrophobicContact CB-SD 3.86Å; A280-M315 HydrophobicContact CB-CE 4.23Å; I311-M315 HydrophobicContact CG1-CG 4.38Å; I311-M315 WeakPolarHBondContact O-CB 3.44Å; I311-M315 VanDerWaalsContact O-CG 3.26Å; I311-M315 WeakPolarHBondContact O-CG 3.16Å; I311-M315 PolarHBondContact O-N 3.46Å; A312-M315 PolarHBondContact O-N 2.87Å; M315-I319 HydrophobicContact CE-CD1 3.58Å; M315-I319 HydrophobicContact CE-CG1 4.46Å; M315-I319 WeakPolarHBondContact O-CB 3.2Å; M315-I319 WeakPolarHBondContact O-CG1 3.38Å; M315-I319 PolarHBondContact O-N 3.09Å; M315-I331 HydrophobicContact CB-CD1 4.14Å; M315-I331 HydrophobicContact CB-CG1 4.15Å
316Q98.7Very high97.9Very high60 Ų6050.5 Ų50.528%0.2831%0.308SS..Hα-helixtrans-61.7-48.2176.7-177.367.967.100111A312 D313 R314 T320 I329 I331A312-Q316 VanDerWaalsContact O-CB 3.31Å; A312-Q316 WeakPolarHBondContact O-CB 3.06Å; A312-Q316 PolarHBondContact O-N 3.42Å; D313-Q316 WeakPolarHBondContact O-CB 3.5Å; D313-Q316 PolarHBondContact O-N 3.1Å; R314-Q316 VanDerWaalsContact C-N 3.28Å; R314-Q316 PolarHBondContact O-N 2.96Å; Q316-T320 PolarHBondContact NE2-OG1 2.81Å; Q316-T320 WeakPolarHBondContact O-CB 3.33Å; Q316-T320 PolarHBondContact O-N 3.15Å; Q316-T320 VanDerWaalsContact O-N 3.1Å; Q316-T320 PolarHBondContact O-OG1 2.81Å; Q316-I329 PolarHBondContact NE2-O 3.45Å; Q316-I329 PolarHBondContact OE1-O 3.14Å; Q316-I331 HydrophobicContact CB-CG1 3.73Å
317K98.7Very high97.7Very high80 Ų8052.9 Ų52.935%0.34832%0.319SS..Hα-helixtrans-57.8-54.2176.7-180-167.1179.9-167.50111.1L223 D224 D313 R314 T320 A321L223-K317 HydrophobicContact CD1-CB 4.1Å; L223-K317 HydrophobicContact CD1-CD 3.96Å; L223-K317 HydrophobicContact CG-CD 4.26Å; L223-K317 WeakPolarHBondContact O-CD 3.4Å; L223-K317 PolarHBondContact O-NZ 2.95Å; D224-K317 IonicContact OD2-NZ 2.75Å; D224-K317 PolarHBondContact OD2-NZ 2.92Å; D224-K317 VanDerWaalsContact OD2-NZ 3.14Å; D313-K317 PolarHBondContact O-N 3.47Å; R314-K317 PolarHBondContact O-N 2.87Å; K317-T320 PolarHBondContact O-N 2.91Å; K317-A321 PolarHBondContact O-N 3.23Å; K317-A321 VanDerWaalsContact O-N 3.09Å
318E98.6Very high97.6Very high38 Ų3857.8 Ų57.818%0.17834%0.339CS..Hα-helixtrans-69.5-43.8-171.5-61.9-59.7172.800112.3F264 H277 R314 T320 A321 L322F264-E318 HydrophobicContact CD1-CG 4.35Å; F264-E318 HydrophobicContact CE1-CG 4.45Å; H277-E318 HydrophobicContact CB-CB 3.66Å; H277-E318 HydrophobicContact CB-CG 4.32Å; R314-E318 HydrophobicContact CG-CG 4.26Å; R314-E318 IonicContact CZ-OE1 2.8Å; R314-E318 IonicContact NE-OE1 3.6Å; R314-E318 PolarHBondContact NE-OE1 3.24Å; R314-E318 IonicContact NH2-OE1 3.35Å; R314-E318 PolarHBondContact NH2-OE1 3.47Å; R314-E318 VanDerWaalsContact O-CG 3.3Å; R314-E318 WeakPolarHBondContact O-CG 3.32Å; R314-E318 PolarHBondContact O-N 2.95Å; E318-T320 VanDerWaalsContact C-N 3.34Å; E318-T320 PolarHBondContact O-N 2.95Å; E318-A321 PolarHBondContact O-N 3.15Å; E318-L322 WeakPolarHBondContact O-CG 3.25Å; E318-L322 PolarHBondContact O-N 3.44Å; E318-L322 VanDerWaalsContact O-N 3.12Å
319I98.3Very high97.6Very high0 Ų057.8 Ų57.80%034%0.34CS..Hα-helixtrans-67-37.4177.7-66.5169000110.8A280 Y296 M315 A321 L322 A323 I329 I331A280-I319 HydrophobicContact CB-CD1 4.14Å; Y296-I319 HydrophobicContact CD1-CG2 4.03Å; Y296-I319 HydrophobicContact CE1-CG2 3.99Å; M315-I319 HydrophobicContact CE-CD1 3.58Å; M315-I319 HydrophobicContact CE-CG1 4.46Å; M315-I319 WeakPolarHBondContact O-CB 3.2Å; M315-I319 WeakPolarHBondContact O-CG1 3.38Å; M315-I319 PolarHBondContact O-N 3.09Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.06Å; I319-L322 PolarHBondContact O-N 3.25Å; I319-A323 WeakPolarHBondContact O-CB 3.29Å; I319-A323 PolarHBondContact O-N 3.04Å; I319-I329 HydrophobicContact CB-CG2 4.02Å; I319-I329 HydrophobicContact CG2-CD1 4.11Å; I319-I329 HydrophobicContact CG2-CG1 4.15Å; I319-I329 HydrophobicContact CG2-CG2 3.6Å; I319-I331 HydrophobicContact CD1-CD1 3.93Å
320T98.1Very high97.6Very high76 Ų7658.3 Ų58.347%0.46633%0.333SS..Hα-helixtrans-62.7-34.1174.5-68.60000112.4Q316 K317 E318Q316-T320 PolarHBondContact NE2-OG1 2.81Å; Q316-T320 WeakPolarHBondContact O-CB 3.33Å; Q316-T320 PolarHBondContact O-N 3.15Å; Q316-T320 VanDerWaalsContact O-N 3.1Å; Q316-T320 PolarHBondContact O-OG1 2.81Å; K317-T320 PolarHBondContact O-N 2.91Å; E318-T320 VanDerWaalsContact C-N 3.34Å; E318-T320 PolarHBondContact O-N 2.95Å
321A98.1Very high97.6Very high81 Ų8158.1 Ų58.167%0.66933%0.326SS*.Hα-helixtrans-71.6-34.1176.200000113K317 E318 I319K317-A321 PolarHBondContact O-N 3.23Å; K317-A321 VanDerWaalsContact O-N 3.09Å; E318-A321 PolarHBondContact O-N 3.15Å; I319-A321 VanDerWaalsContact C-N 3.28Å; I319-A321 PolarHBondContact O-N 3.06Å
322L97.9Very high97.5Very high65 Ų6559 Ų5934%0.3433%0.33SS..Hα-helixtrans-83.3-35.6-179.5-66.9173.6000113.4E278 Y281 E318 I319E278-L322 HydrophobicContact CG-CD1 4.07Å; Y281-L322 HydrophobicContact CD2-CB 3.66Å; Y281-L322 HydrophobicContact CE2-CB 4.09Å; Y281-L322 WeakPolarHBondContact CE2-O 3.43Å; Y281-L322 HydrophobicContact CG-CB 3.94Å; Y281-L322 HydrophobicContact CG-CD1 4.2Å; E318-L322 WeakPolarHBondContact O-CG 3.25Å; E318-L322 PolarHBondContact O-N 3.44Å; E318-L322 VanDerWaalsContact O-N 3.12Å; I319-L322 PolarHBondContact O-N 3.25Å
323A96.9Very high97.5Very high10 Ų1059.4 Ų59.48%0.08333%0.333CS..SBendtrans-73.7154.6-174.900000112.5Y296 I319 S325 M327 I329Y296-A323 HydrophobicContact CD1-CB 4.21Å; Y296-A323 HydrophobicContact CE1-CB 3.67Å; Y296-A323 HydrophobicContact CE2-CB 4.31Å; I319-A323 WeakPolarHBondContact O-CB 3.29Å; I319-A323 PolarHBondContact O-N 3.04Å; A323-S325 PolarHBondContact O-N 3.13Å; A323-M327 HydrophobicContact CB-CB 4.47Å; A323-I329 HydrophobicContact CB-CD1 3.65Å; A323-I329 HydrophobicContact CB-CG1 4.23Å
324P95.1Very high97.4Very high58 Ų5855.3 Ų55.338%0.37731%0.312SS..  trans-55.3139171.3-22.732.6000111.3T326 M327P324-T326 PolarHBondContact O-N 2.96Å; P324-M327 HydrophobicContact CB-CG 4.12Å; P324-M327 HydrophobicContact CG-CG 4.23Å; P324-M327 WeakPolarHBondContact O-CB 3.4Å; P324-M327 PolarHBondContact O-N 3.14Å
325S94.2Very high97.3Very high127 Ų12759.7 Ų59.789%0.88834%0.343SS*.THydrogen-bonded Turntrans-60.7-17.5-174.857.50000115A323 M327A323-S325 PolarHBondContact O-N 3.13Å; S325-M327 VanDerWaalsContact C-N 3.34Å
326T94.1Very high97.2Very high125 Ų12563.8 Ų63.877%0.76736%0.362SS*.THydrogen-bonded Turntrans-80.1-14.2174.7540000113.4P324P324-T326 PolarHBondContact O-N 2.96Å
327M95.4Very high97.1Very high50 Ų5062.2 Ų62.225%0.24635%0.353CS..SBendtrans-83.9131.9-178.6-63.8-62.8174.900110.9K293 Y296 A323 P324 S325 I329K293-M327 HydrophobicContact CB-SD 4.16Å; K293-M327 HydrophobicContact CG-SD 4.49Å; Y296-M327 HydrophobicContact CD2-CB 3.94Å; Y296-M327 HydrophobicContact CD2-CG 3.69Å; Y296-M327 HydrophobicContact CD2-SD 4Å; Y296-M327 HydrophobicContact CE2-CB 4.46Å; Y296-M327 HydrophobicContact CE2-CG 3.96Å; Y296-M327 HydrophobicContact CG-CB 4.32Å; A323-M327 HydrophobicContact CB-CB 4.47Å; P324-M327 HydrophobicContact CB-CG 4.12Å; P324-M327 HydrophobicContact CG-CG 4.23Å; P324-M327 WeakPolarHBondContact O-CB 3.4Å; P324-M327 PolarHBondContact O-N 3.14Å; S325-M327 VanDerWaalsContact C-N 3.34Å; M327-I329 HydrophobicContact CB-CD1 4.01Å
328K96Very high97Very high168 Ų16862.5 Ų62.573%0.7335%0.354SS*.  trans-86.8115.1170.3-176.8177.1179.9176.90109.1Y296Y296-K328 CarbonylContact C-O 3.35Å
329I98.2Very high97Very high16 Ų1663.6 Ų63.68%0.08236%0.357CS..  trans-92.6131.6178.4-49.2-46.6000109.3Y296 Q316 I319 A323 M327 I331Y296-I329 HydrophobicContact CD1-CD1 3.36Å; Y296-I329 HydrophobicContact CD2-CD1 4.44Å; Y296-I329 HydrophobicContact CE1-CD1 4.12Å; Y296-I329 HydrophobicContact CG-CD1 3.56Å; Y296-I329 WeakPolarHBondContact O-CA 2.97Å; Q316-I329 PolarHBondContact NE2-O 3.45Å; Q316-I329 PolarHBondContact OE1-O 3.14Å; I319-I329 HydrophobicContact CB-CG2 4.02Å; I319-I329 HydrophobicContact CG2-CD1 4.11Å; I319-I329 HydrophobicContact CG2-CG1 4.15Å; I319-I329 HydrophobicContact CG2-CG2 3.6Å; A323-I329 HydrophobicContact CB-CD1 3.65Å; A323-I329 HydrophobicContact CB-CG1 4.23Å; M327-I329 HydrophobicContact CB-CD1 4.01Å; I329-I331 HydrophobicContact CG2-CD1 4.24Å
330K98.3Very high97Very high96 Ų9663.7 Ų63.742%0.41736%0.358SS..  trans-136.4119.7172.8178.8-175.2179.7-176.20110.3Y296 A297 N299 I332Y296-K330 PolarHBondContact O-N 2.93Å; A297-K330 WeakPolarHBondContact O-CB 3.34Å; N299-K330 WeakPolarHBondContact CB-O 3.36Å; N299-K330 PolarHBondContact N-O 3.4Å; N299-K330 VanDerWaalsContact N-O 3.1Å; K330-I332 HydrophobicContact CD-CG1 4.34Å; K330-I332 HydrophobicContact CG-CG1 4.24Å
331I98.6Very high97Very high23 Ų2360.4 Ų60.412%0.11834%0.338CS..EExtended strand (participates in β ladder)trans-89.4133.8169.7-49.1-51.7000109.6N299 L301 A312 M315 Q316 I319 I329N299-I331 HydrophobicContact CB-CD1 3.62Å; N299-I331 CarbonylContact O-C 3.53Å; L301-I331 HydrophobicContact CD1-CG2 3.87Å; L301-I331 HydrophobicContact CD2-CG2 4.16Å; L301-I331 HydrophobicContact CG-CG2 3.81Å; A312-I331 HydrophobicContact CB-CG2 4.03Å; M315-I331 HydrophobicContact CB-CD1 4.14Å; M315-I331 HydrophobicContact CB-CG1 4.15Å; Q316-I331 HydrophobicContact CB-CG1 3.73Å; I319-I331 HydrophobicContact CD1-CD1 3.93Å; I329-I331 HydrophobicContact CG2-CD1 4.24Å
332I98.5Very high97Very high21 Ų2156.6 Ų56.611%0.10831%0.306CS..EExtended strand (participates in β ladder)trans-119.4110.4-179.7-60.1157.1000106.8R149 N298 N299 V300 L301 K330 P334R149-I332 VanDerWaalsContact NE-CD1 3.31Å; N298-I332 HydrophobicContact CB-CD1 4.33Å; N299-I332 PolarHBondContact O-N 2.91Å; V300-I332 WeakPolarHBondContact CA-O 3.44Å; V300-I332 HydrophobicContact CG2-CB 4.16Å; V300-I332 HydrophobicContact CG2-CD1 3.94Å; V300-I332 HydrophobicContact CG2-CG2 4.38Å; L301-I332 PolarHBondContact N-O 2.86Å; K330-I332 HydrophobicContact CD-CG1 4.34Å; K330-I332 HydrophobicContact CG-CG1 4.24Å; I332-P334 HydrophobicContact CG2-CG 4.34Å
333A98.1Very high97Very high35 Ų3554.8 Ų54.829%0.28930%0.297SS..  trans-124.983.3-178.500000109.8L301 A312L301-A333 HydrophobicContact CB-CB 4.3Å; L301-A333 HydrophobicContact CD1-CB 3.94Å; L301-A333 HydrophobicContact CG-CB 4.27Å; A312-A333 HydrophobicContact CB-CB 3.96Å
334P96.8Very high97.1Very high19 Ų1954.3 Ų54.312%0.12329%0.293CS..  trans-55.8142.4177.3-22.933.8000111.1I332 E336 R337I332-P334 HydrophobicContact CG2-CG 4.34Å; P334-E336 WeakPolarHBondContact CB-OE1 3.35Å; P334-E336 PolarHBondContact O-N 3.14Å; P334-R337 HydrophobicContact CB-CB 4.29Å; P334-R337 WeakPolarHBondContact O-CB 3.5Å; P334-R337 WeakPolarHBondContact O-CD 3.23Å; P334-R337 WeakPolarHBondContact O-CG 3.42Å; P334-R337 PolarHBondContact O-N 3.2Å; P334-R337 VanDerWaalsContact O-N 3.13Å; P334-R337 PolarHBondContact O-NH1 2.82Å
335P96.7Very high97.2Very high104 Ų10451.6 Ų51.668%0.67528%0.275SS*.THydrogen-bonded Turntrans-57.1-36.9178.4-25.934.4000113.3R337P335-R337 VanDerWaalsContact C-N 3.31Å; P335-R337 PolarHBondContact O-N 3.25Å
336E95.7Very high97.4Very high87 Ų8745.7 Ų45.741%0.40723%0.234SC..THydrogen-bonded Turntrans-88.312.2-179.665.6-72163.300113.7P334 K338 Y339 I343P334-E336 WeakPolarHBondContact CB-OE1 3.35Å; P334-E336 PolarHBondContact O-N 3.14Å; E336-K338 PolarHBondContact O-N 3.36Å; E336-Y339 PolarHBondContact O-N 3.12Å; E336-I343 HydrophobicContact CB-CD1 4.36Å; E336-I343 HydrophobicContact CG-CD1 3.71Å
337R97.3Very high97.5Very high27 Ų2743 Ų4310%0.10221%0.214CC..G310 helixtrans-57.4-18.6-172.367-170.7172.7-77.61.8116.7L301 G303 T306 M307 P334 P335 Y339 S340L301-R337 WeakPolarHBondContact O-CB 3.43Å; G303-R337 PolarHBondContact N-O 2.83Å; G303-R337 VanDerWaalsContact N-O 3.16Å; T306-R337 VanDerWaalsContact O-CZ 3.28Å; T306-R337 PolarHBondContact O-NE 2.95Å; T306-R337 PolarHBondContact O-NH2 2.89Å; M307-R337 HydrophobicContact SD-CG 3.48Å; M307-R337 WeakPolarHBondContact SD-CG 3.39Å; P334-R337 HydrophobicContact CB-CB 4.29Å; P334-R337 WeakPolarHBondContact O-CB 3.5Å; P334-R337 WeakPolarHBondContact O-CD 3.23Å; P334-R337 WeakPolarHBondContact O-CG 3.42Å; P334-R337 PolarHBondContact O-N 3.2Å; P334-R337 VanDerWaalsContact O-N 3.13Å; P334-R337 PolarHBondContact O-NH1 2.82Å; P335-R337 VanDerWaalsContact C-N 3.31Å; P335-R337 PolarHBondContact O-N 3.25Å; R337-Y339 PolarHBondContact O-N 2.8Å; R337-S340 WeakPolarHBondContact CA-OG 3.44Å; R337-S340 PolarHBondContact O-N 2.82Å
338K97Very high97.5Very high86 Ų8641.5 Ų41.537%0.37421%0.207SC..G310 helixtrans-60.1-19.6167.657.9167.3174167.90113.6K20 M307 E336K20-K338 WeakPolarHBondContact CE-O 3.31Å; M307-K338 HydrophobicContact CE-CG 4.43Å; M307-K338 HydrophobicContact CG-CB 4Å; M307-K338 HydrophobicContact SD-CB 3.91Å; M307-K338 HydrophobicContact SD-CG 4.22Å; E336-K338 PolarHBondContact O-N 3.36Å
339Y97.8Very high97.5Very high61 Ų6133.6 Ų33.624%0.23917%0.173CC..G310 helixtrans-115.63.4179.9-52.7-37.4000112.9K20 P29 V32 E336 R337 V341 W342 I343K20-Y339 HydrophobicContact CD-CD1 3.77Å; K20-Y339 HydrophobicContact CD-CE1 4.39Å; P29-Y339 HydrophobicContact CG-CD1 4.4Å; P29-Y339 HydrophobicContact CG-CG 4.47Å; V32-Y339 HydrophobicContact CG2-CE1 4.3Å; E336-Y339 PolarHBondContact O-N 3.12Å; R337-Y339 PolarHBondContact O-N 2.8Å; Y339-V341 VanDerWaalsContact C-N 3.26Å; Y339-V341 PolarHBondContact O-N 3.38Å; Y339-W342 PolarHBondContact O-N 3.12Å; Y339-I343 WeakPolarHBondContact O-CG1 3.33Å; Y339-I343 PolarHBondContact O-N 2.89Å
340S98.1Very high97.2Very high2 Ų235.9 Ų35.91%0.01419%0.19CC..Hα-helixtrans-54.6-39-175.2-81.80000113.6A146 R337 I343 G344A146-S340 VanDerWaalsContact CB-O 3.25Å; A146-S340 WeakPolarHBondContact CB-O 3.44Å; R337-S340 WeakPolarHBondContact CA-OG 3.44Å; R337-S340 PolarHBondContact O-N 2.82Å; S340-I343 PolarHBondContact O-N 3.35Å; S340-G344 PolarHBondContact O-N 2.9Å
341V98.4Very high96.9Very high8 Ų835 Ų355%0.04819%0.19CC..Hα-helixtrans-56.9-52.5175.4175.50000111.2D13 T108 Q139 L142 S143 Y339 G344 G345D13-V341 HydrophobicContact CB-CG1 4.05Å; D13-V341 WeakPolarHBondContact OD1-CG1 3.27Å; T108-V341 HydrophobicContact CG2-CG1 3.78Å; Q139-V341 HydrophobicContact CB-CG1 3.94Å; Q139-V341 HydrophobicContact CB-CG2 3.9Å; Q139-V341 HydrophobicContact CG-CG1 3.77Å; Q139-V341 HydrophobicContact CG-CG2 4.4Å; L142-V341 WeakPolarHBondContact CB-O 3.35Å; L142-V341 HydrophobicContact CD1-CG1 4.31Å; S143-V341 WeakPolarHBondContact OG-CG2 3.33Å; Y339-V341 VanDerWaalsContact C-N 3.26Å; Y339-V341 PolarHBondContact O-N 3.38Å; V341-G344 PolarHBondContact O-N 3.38Å; V341-G345 PolarHBondContact O-N 3.24Å
342W98.6Very high96.5Very high0 Ų038.7 Ų38.70%022%0.218CC..Hα-helixtrans-66.8-42.8-178.2-176.791.2000111.3V11 D13 K20 D26 A28 P29 Y339 G344 G345 S346V11-W342 HydrophobicContact CG1-CG 4.26Å; V11-W342 PolarHBondContact O-NE1 2.92Å; V11-W342 VanDerWaalsContact O-NE1 3.08Å; D13-W342 HydrophobicContact CB-CB 4.23Å; K20-W342 HydrophobicContact CB-CB 4.31Å; K20-W342 HydrophobicContact CB-CG 4.33Å; D26-W342 HydrophobicContact CB-CH2 3.85Å; D26-W342 VanDerWaalsContact O-CH2 3.29Å; D26-W342 WeakPolarHBondContact O-CH2 3.48Å; D26-W342 WeakPolarHBondContact O-CZ3 3.49Å; A28-W342 VanDerWaalsContact CA-CZ3 3.46Å; A28-W342 WeakPolarHBondContact O-CH2 3.34Å; P29-W342 HydrophobicContact CB-CD2 3.75Å; P29-W342 HydrophobicContact CB-CE3 4.23Å; P29-W342 HydrophobicContact CB-CG 3.99Å; P29-W342 HydrophobicContact CB-CZ2 4.42Å; P29-W342 HydrophobicContact CG-CD2 4.29Å; P29-W342 HydrophobicContact CG-CE3 4.41Å; P29-W342 HydrophobicContact CG-CG 4.5Å; Y339-W342 PolarHBondContact O-N 3.12Å; W342-G344 VanDerWaalsContact C-N 3.3Å; W342-G344 PolarHBondContact O-N 3.05Å; W342-G345 PolarHBondContact O-N 2.81Å; W342-G345 VanDerWaalsContact O-N 3.14Å; W342-S346 PolarHBondContact O-N 3.25Å
343I98.2Very high96Very high28 Ų2843 Ų4314%0.14425%0.245CC..Hα-helixtrans-59.6-43.8176.5-66.4167.9000110.3A146 E336 Y339 S340 G345 S346 I347A146-I343 HydrophobicContact CB-CB 4.09Å; A146-I343 HydrophobicContact CB-CG2 3.88Å; E336-I343 HydrophobicContact CB-CD1 4.36Å; E336-I343 HydrophobicContact CG-CD1 3.71Å; Y339-I343 WeakPolarHBondContact O-CG1 3.33Å; Y339-I343 PolarHBondContact O-N 2.89Å; S340-I343 PolarHBondContact O-N 3.35Å; I343-G345 VanDerWaalsContact C-N 3.32Å; I343-G345 PolarHBondContact O-N 2.99Å; I343-S346 WeakPolarHBondContact O-CB 3.26Å; I343-S346 PolarHBondContact O-N 3.04Å; I343-I347 HydrophobicContact CG2-CD1 3.96Å; I343-I347 WeakPolarHBondContact O-CG1 3.3Å; I343-I347 PolarHBondContact O-N 3.44Å
344G97.7Very high95.6Very high0 Ų041.9 Ų41.90%023%0.234CC..Hα-helixtrans-62.4-38.8176.100000113.3L142 S340 V341 W342 L348L142-G344 VanDerWaalsContact O-CA 3.23Å; L142-G344 WeakPolarHBondContact O-CA 3.14Å; S340-G344 PolarHBondContact O-N 2.9Å; V341-G344 PolarHBondContact O-N 3.38Å; W342-G344 VanDerWaalsContact C-N 3.3Å; W342-G344 PolarHBondContact O-N 3.05Å; G344-L348 VanDerWaalsContact O-CB 3.31Å; G344-L348 WeakPolarHBondContact O-CB 3.49Å; G344-L348 PolarHBondContact O-N 2.85Å
345G97.8Very high95.2Very high0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-65.2-41.8172.400000112.5V341 W342 I343 L348 A349V341-G345 PolarHBondContact O-N 3.24Å; W342-G345 PolarHBondContact O-N 2.81Å; W342-G345 VanDerWaalsContact O-N 3.14Å; I343-G345 VanDerWaalsContact C-N 3.32Å; I343-G345 PolarHBondContact O-N 2.99Å; G345-L348 PolarHBondContact O-N 3.19Å; G345-A349 VanDerWaalsContact O-CB 3.26Å; G345-A349 WeakPolarHBondContact O-CB 3.43Å; G345-A349 PolarHBondContact O-N 2.99Å
346S97.8Very high94.9Very high4 Ų447.4 Ų47.43%0.02825%0.249CC..Hα-helixtrans-60.4-47.2176.2-179.10000111G25 D26 W342 I343 S350G25-S346 PolarHBondContact N-OG 2.76Å; D26-S346 PolarHBondContact O-OG 3.14Å; W342-S346 PolarHBondContact O-N 3.25Å; I343-S346 WeakPolarHBondContact O-CB 3.26Å; I343-S346 PolarHBondContact O-N 3.04Å; S346-S350 WeakPolarHBondContact O-CB 3.28Å; S346-S350 PolarHBondContact O-N 3.44Å; S346-S350 VanDerWaalsContact O-N 3.14Å; S346-S350 PolarHBondContact O-OG 3.05Å
347I95.7Very high94.8Very high67 Ų6746.8 Ų46.834%0.34425%0.247SC..Hα-helixtrans-60-55.5174.8-67.5165.4000109.8I343 A349 S350 L351I343-I347 HydrophobicContact CG2-CD1 3.96Å; I343-I347 WeakPolarHBondContact O-CG1 3.3Å; I343-I347 PolarHBondContact O-N 3.44Å; I347-A349 PolarHBondContact O-N 2.88Å; I347-S350 PolarHBondContact O-N 2.82Å; I347-S350 PolarHBondContact O-OG 3.06Å; I347-L351 WeakPolarHBondContact O-CG 3.45Å; I347-L351 PolarHBondContact O-N 3.38Å
348L95.4Very high94.7Very high19 Ų1946.2 Ų46.210%0.09925%0.245CC..Hα-helixtrans-57.3-48.4-175.5-178.663.5000112.1L106 L142 Y145 G344 G345 S350 L351 F354L106-L348 HydrophobicContact CD1-CD2 4.16Å; L142-L348 HydrophobicContact CD2-CB 4.29Å; L142-L348 HydrophobicContact CD2-CD2 3.61Å; Y145-L348 HydrophobicContact CD2-CB 4.36Å; Y145-L348 HydrophobicContact CD2-CD1 4.29Å; Y145-L348 HydrophobicContact CD2-CD2 4.44Å; Y145-L348 HydrophobicContact CE2-CD1 3.92Å; Y145-L348 HydrophobicContact CE2-CD2 4.16Å; Y145-L348 HydrophobicContact CE2-CG 4.5Å; G344-L348 VanDerWaalsContact O-CB 3.31Å; G344-L348 WeakPolarHBondContact O-CB 3.49Å; G344-L348 PolarHBondContact O-N 2.85Å; G345-L348 PolarHBondContact O-N 3.19Å; L348-S350 PolarHBondContact O-N 3.22Å; L348-L351 HydrophobicContact CD1-CD1 4.4Å; L348-L351 WeakPolarHBondContact O-CB 3.35Å; L348-L351 PolarHBondContact O-N 3.37Å; L348-F354 HydrophobicContact CD1-CB 4.49Å; L348-F354 HydrophobicContact CD1-CD2 3.53Å; L348-F354 HydrophobicContact CD1-CE2 3.93Å; L348-F354 HydrophobicContact CD1-CG 4.1Å; L348-F354 HydrophobicContact CD2-CD2 4.19Å; L348-F354 HydrophobicContact CD2-CE2 3.7Å; L348-F354 HydrophobicContact CD2-CZ 4.06Å; L348-F354 HydrophobicContact CG-CD1 4.46Å; L348-F354 HydrophobicContact CG-CD2 3.66Å; L348-F354 HydrophobicContact CG-CE1 4.45Å; L348-F354 HydrophobicContact CG-CE2 3.66Å; L348-F354 HydrophobicContact CG-CG 4.07Å; L348-F354 HydrophobicContact CG-CZ 4.06Å; L348-F354 VanDerWaalsContact O-CB 3.23Å; L348-F354 WeakPolarHBondContact O-CB 3.17Å; L348-F354 WeakPolarHBondContact O-CG 3.14Å
349A95.9Very high94.8Very high3 Ų342.1 Ų42.13%0.02523%0.227CC..Hα-helixtrans-68.5-19.5-179.700000113.6A9 V11 A24 L106 G345 I347 W358A9-A349 HydrophobicContact CB-CB 4.18Å; V11-A349 HydrophobicContact CG2-CB 4.26Å; A24-A349 HydrophobicContact CB-CB 3.64Å; L106-A349 HydrophobicContact CD1-CB 4.37Å; G345-A349 VanDerWaalsContact O-CB 3.26Å; G345-A349 WeakPolarHBondContact O-CB 3.43Å; G345-A349 PolarHBondContact O-N 2.99Å; I347-A349 PolarHBondContact O-N 2.88Å; A349-W358 HydrophobicContact CB-CH2 4.34Å; A349-W358 HydrophobicContact CB-CZ2 4.07Å
350S93.3Very high94.8Very high63 Ų6341 Ų4144%0.44123%0.229SC..Hα-helixtrans-87.4-8.8175.573.50000114.1S346 I347 L348S346-S350 WeakPolarHBondContact O-CB 3.28Å; S346-S350 PolarHBondContact O-N 3.44Å; S346-S350 VanDerWaalsContact O-N 3.14Å; S346-S350 PolarHBondContact O-OG 3.05Å; I347-S350 PolarHBondContact O-N 2.82Å; I347-S350 PolarHBondContact O-OG 3.06Å; L348-S350 PolarHBondContact O-N 3.22Å
351L92.1Very high94.8Very high77 Ų7743.7 Ų43.740%0.40324%0.24SC..  trans-75127.5178.2-64177.6000110.9I347 L348 T353 F354I347-L351 WeakPolarHBondContact O-CG 3.45Å; I347-L351 PolarHBondContact O-N 3.38Å; L348-L351 HydrophobicContact CD1-CD1 4.4Å; L348-L351 WeakPolarHBondContact O-CB 3.35Å; L348-L351 PolarHBondContact O-N 3.37Å; L351-T353 PolarHBondContact O-N 3.42Å; L351-F354 HydrophobicContact CB-CB 4.06Å; L351-F354 VanDerWaalsContact O-CB 3.31Å; L351-F354 WeakPolarHBondContact O-CB 3.43Å; L351-F354 PolarHBondContact O-N 3.1Å
352S89.5Confident94.7Very high102 Ų10249.5 Ų49.571%0.71327%0.266SS*.G310 helixtrans-59.5-33.2174.757.40000113.1F354 Q355S352-F354 PolarHBondContact O-N 3.13Å; S352-Q355 WeakPolarHBondContact O-CB 3.47Å; S352-Q355 WeakPolarHBondContact O-CG 3.44Å; S352-Q355 PolarHBondContact O-N 2.86Å
353T88.1Confident94.7Very high111 Ų11152.2 Ų52.268%0.68128%0.279SS*.G310 helixtrans-67.9-20.9175.151.20000113.2L351L351-T353 PolarHBondContact O-N 3.42Å
354F90.8Very high94.7Very high11 Ų1151.2 Ų51.25%0.04827%0.274CS..G310 helixtrans-80.2-17177.6-175.2-104.7000112.7L106 Y135 L348 L351 S352 Q356 M357 W358L106-F354 HydrophobicContact CD1-CE1 4.33Å; L106-F354 HydrophobicContact CD1-CZ 4.16Å; Y135-F354 HydrophobicContact CD1-CE2 4.11Å; Y135-F354 AromaticContact CD1-CZ 3.63Å; Y135-F354 HydrophobicContact CD1-CZ 3.63Å; Y135-F354 HydrophobicContact CD2-CE2 4.27Å; Y135-F354 AromaticContact CD2-CZ 3.89Å; Y135-F354 HydrophobicContact CD2-CZ 3.89Å; Y135-F354 HydrophobicContact CE1-CE2 4.04Å; Y135-F354 HydrophobicContact CE1-CZ 4.05Å; Y135-F354 HydrophobicContact CE2-CE2 4.21Å; Y135-F354 HydrophobicContact CE2-CZ 4.29Å; Y135-F354 HydrophobicContact CG-CE1 4.49Å; Y135-F354 HydrophobicContact CG-CE2 4.22Å; Y135-F354 AromaticContact CG-CZ 3.54Å; Y135-F354 HydrophobicContact CG-CZ 3.54Å; L348-F354 HydrophobicContact CD1-CB 4.49Å; L348-F354 HydrophobicContact CD1-CD2 3.53Å; L348-F354 HydrophobicContact CD1-CE2 3.93Å; L348-F354 HydrophobicContact CD1-CG 4.1Å; L348-F354 HydrophobicContact CD2-CD2 4.19Å; L348-F354 HydrophobicContact CD2-CE2 3.7Å; L348-F354 HydrophobicContact CD2-CZ 4.06Å; L348-F354 HydrophobicContact CG-CD1 4.46Å; L348-F354 HydrophobicContact CG-CD2 3.66Å; L348-F354 HydrophobicContact CG-CE1 4.45Å; L348-F354 HydrophobicContact CG-CE2 3.66Å; L348-F354 HydrophobicContact CG-CG 4.07Å; L348-F354 HydrophobicContact CG-CZ 4.06Å; L348-F354 VanDerWaalsContact O-CB 3.23Å; L348-F354 WeakPolarHBondContact O-CB 3.17Å; L348-F354 WeakPolarHBondContact O-CG 3.14Å; L351-F354 HydrophobicContact CB-CB 4.06Å; L351-F354 VanDerWaalsContact O-CB 3.31Å; L351-F354 WeakPolarHBondContact O-CB 3.43Å; L351-F354 PolarHBondContact O-N 3.1Å; S352-F354 PolarHBondContact O-N 3.13Å; F354-Q356 PolarHBondContact O-N 3.16Å; F354-M357 HydrophobicContact CD2-CB 3.76Å; F354-M357 HydrophobicContact CD2-CG 3.97Å; F354-M357 HydrophobicContact CE2-CB 3.76Å; F354-M357 HydrophobicContact CE2-CG 4.34Å; F354-M357 HydrophobicContact CG-CB 4.39Å; F354-M357 HydrophobicContact CZ-CB 4.39Å; F354-M357 VanDerWaalsContact O-CB 3.28Å; F354-M357 WeakPolarHBondContact O-CB 3.39Å; F354-M357 PolarHBondContact O-N 3.48Å; F354-W358 AromaticContact CD1-CE2 3.91Å; F354-W358 HydrophobicContact CD1-CZ2 4.1Å; F354-W358 AromaticContact CD1-NE1 3.95Å; F354-W358 AromaticContact CE1-CD2 3.96Å; F354-W358 HydrophobicContact CE1-CD2 3.96Å; F354-W358 AromaticContact CE1-CE2 3.6Å; F354-W358 HydrophobicContact CE1-CE3 4.31Å; F354-W358 HydrophobicContact CE1-CH2 4.02Å; F354-W358 AromaticContact CE1-CZ2 3.64Å; F354-W358 HydrophobicContact CE1-CZ2 3.64Å; F354-W358 HydrophobicContact CE1-CZ3 4.33Å
355Q87.1Confident94.7Very high73 Ų7356.2 Ų56.234%0.34130%0.3SS..THydrogen-bonded Turntrans-58.9-27.3-175.6-62-57.6-20.100113.8S352 M357 W358S352-Q355 WeakPolarHBondContact O-CB 3.47Å; S352-Q355 WeakPolarHBondContact O-CG 3.44Å; S352-Q355 PolarHBondContact O-N 2.86Å; Q355-M357 VanDerWaalsContact C-N 3.33Å; Q355-W358 VanDerWaalsContact OE1-CD1 3.32Å
356Q90Very high94.7Very high167 Ų16763.1 Ų63.178%0.7833%0.332SS*.THydrogen-bonded Turntrans-80.7-12.8177-59.8-178.37.100113.8F354 K375F354-Q356 PolarHBondContact O-N 3.16Å; Q356-K375 PolarHBondContact O-NZ 2.71Å
357M94Very high94.7Very high73 Ų7364.5 Ų64.536%0.3634%0.344SS..THydrogen-bonded Turntrans-85.9-21.8-177.1-61.7-58.5-63.300112.8Y135 F354 Q355 K375Y135-M357 HydrophobicContact CD2-CB 4.49Å; Y135-M357 WeakPolarHBondContact CD2-O 3.44Å; Y135-M357 HydrophobicContact CE2-CB 4.13Å; F354-M357 HydrophobicContact CD2-CB 3.76Å; F354-M357 HydrophobicContact CD2-CG 3.97Å; F354-M357 HydrophobicContact CE2-CB 3.76Å; F354-M357 HydrophobicContact CE2-CG 4.34Å; F354-M357 HydrophobicContact CG-CB 4.39Å; F354-M357 HydrophobicContact CZ-CB 4.39Å; F354-M357 VanDerWaalsContact O-CB 3.28Å; F354-M357 WeakPolarHBondContact O-CB 3.39Å; F354-M357 PolarHBondContact O-N 3.48Å; Q355-M357 VanDerWaalsContact C-N 3.33Å; M357-K375 WeakPolarHBondContact O-CE 3.49Å
358W96.6Very high94.8Very high15 Ų1562.2 Ų62.26%0.05734%0.337CS..SBendtrans-52.2142.8174-69.2119.6000111.4A9 P104 L106 A133 A349 F354 Q355 K375A9-W358 HydrophobicContact CB-CH2 3.92Å; A9-W358 HydrophobicContact CB-CZ2 3.66Å; P104-W358 HydrophobicContact CB-CD2 4.42Å; P104-W358 HydrophobicContact CB-CE3 4.47Å; P104-W358 HydrophobicContact CB-CH2 4.17Å; P104-W358 HydrophobicContact CB-CZ2 4.1Å; P104-W358 HydrophobicContact CB-CZ3 4.36Å; L106-W358 HydrophobicContact CB-CH2 3.85Å; L106-W358 HydrophobicContact CB-CZ3 4.14Å; A133-W358 HydrophobicContact CB-CB 4.09Å; A133-W358 HydrophobicContact CB-CG 4.41Å; A349-W358 HydrophobicContact CB-CH2 4.34Å; A349-W358 HydrophobicContact CB-CZ2 4.07Å; F354-W358 AromaticContact CD1-CE2 3.91Å; F354-W358 HydrophobicContact CD1-CZ2 4.1Å; F354-W358 AromaticContact CD1-NE1 3.95Å; F354-W358 AromaticContact CE1-CD2 3.96Å; F354-W358 HydrophobicContact CE1-CD2 3.96Å; F354-W358 AromaticContact CE1-CE2 3.6Å; F354-W358 HydrophobicContact CE1-CE3 4.31Å; F354-W358 HydrophobicContact CE1-CH2 4.02Å; F354-W358 AromaticContact CE1-CZ2 3.64Å; F354-W358 HydrophobicContact CE1-CZ2 3.64Å; F354-W358 HydrophobicContact CE1-CZ3 4.33Å; Q355-W358 VanDerWaalsContact OE1-CD1 3.32Å; W358-K375 WeakPolarHBondContact O-CE 3.14Å; W358-K375 PolarHBondContact O-NZ 3.29Å
359I98.2Very high94.9Very high0 Ų063 Ų630%034%0.344CS..EExtended strand (participates in β ladder)trans-86.9116.8163.1-61.2159.2000105.2F126 A133 M134 E363 I371 V372 K375F126-I359 HydrophobicContact CE2-CG2 3.82Å; F126-I359 HydrophobicContact CZ-CB 4.38Å; F126-I359 HydrophobicContact CZ-CG2 3.87Å; F126-I359 WeakPolarHBondContact CZ-O 3.48Å; A133-I359 CarbonylContact C-O 3.58Å; A133-I359 WeakPolarHBondContact CA-O 3.43Å; A133-I359 WeakPolarHBondContact CB-O 3.43Å; M134-I359 PolarHBondContact N-O 3.49Å; M134-I359 WeakPolarHBondContact O-CB 3.45Å; M134-I359 PolarHBondContact O-N 2.74Å; I359-E363 WeakPolarHBondContact CA-OE2 3.29Å; I359-E363 HydrophobicContact CG2-CB 4.37Å; I359-I371 HydrophobicContact CD1-CG2 4.32Å; I359-I371 HydrophobicContact CG1-CG1 4.47Å; I359-I371 HydrophobicContact CG2-CG1 4Å; I359-I371 HydrophobicContact CG2-CG2 3.64Å; I359-V372 HydrophobicContact CD1-CB 4.34Å; I359-V372 HydrophobicContact CD1-CG2 4.45Å; I359-K375 HydrophobicContact CD1-CB 4.16Å; I359-K375 HydrophobicContact CG1-CB 3.76Å; I359-K375 HydrophobicContact CG1-CG 4.13Å
360S97.6Very high95Very high39 Ų3965 Ų6527%0.27336%0.357SS..EExtended strand (participates in β ladder)trans-79.8158174.660.70000111.5Q362 E363 Y364S360-Q362 PolarHBondContact O-N 3.33Å; S360-E363 PolarHBondContact N-OE2 3.02Å; S360-E363 PolarHBondContact O-N 3.07Å; S360-E363 VanDerWaalsContact O-N 3.15Å; S360-E363 WeakPolarHBondContact OG-CG 3.35Å; S360-E363 PolarHBondContact OG-N 3.18Å; S360-E363 PolarHBondContact OG-OE2 2.94Å; S360-Y364 PolarHBondContact O-N 3.25Å
361K97.6Very high95.2Very high58 Ų5862.6 Ų62.625%0.25234%0.339SS..Hα-helixtrans-53.7-38.3171.6-178.165.8-177.3176.70112.2F126 P132 Y364 D365F126-K361 HydrophobicContact CB-CD 4.28Å; F126-K361 HydrophobicContact CD1-CB 4.25Å; F126-K361 HydrophobicContact CD1-CD 3.53Å; F126-K361 HydrophobicContact CE1-CB 4.05Å; F126-K361 HydrophobicContact CE1-CD 4.19Å; F126-K361 HydrophobicContact CG-CD 4.22Å; F126-K361 PolarHBondContact O-NZ 2.88Å; P132-K361 PolarHBondContact O-N 3.14Å; K361-Y364 WeakPolarHBondContact O-CB 3.46Å; K361-Y364 PolarHBondContact O-N 3.45Å; K361-D365 WeakPolarHBondContact CE-OD1 3.34Å; K361-D365 IonicContact NZ-OD1 2.88Å; K361-D365 VanDerWaalsContact O-CG 3.24Å; K361-D365 PolarHBondContact O-N 3.22Å
362Q97.6Very high95.5Very high130 Ų13058.9 Ų58.961%0.60732%0.32SS*.Hα-helixtrans-62.5-49.4175.9-175.7-176.1-9.700112.3S360 Y364 D365 E366S360-Q362 PolarHBondContact O-N 3.33Å; Q362-Y364 PolarHBondContact O-N 2.71Å; Q362-D365 PolarHBondContact O-N 2.87Å; Q362-E366 PolarHBondContact NE2-OE1 2.83Å; Q362-E366 WeakPolarHBondContact O-CG 3.45Å; Q362-E366 PolarHBondContact O-N 3Å; Q362-E366 VanDerWaalsContact O-N 3.08Å
363E98Very high95.8Very high56 Ų5656 Ų5626%0.26230%0.295SS..Hα-helixtrans-60.5-35.9177.3-74.9166.9122.600111.6I359 S360 A367 I371 K375I359-E363 WeakPolarHBondContact CA-OE2 3.29Å; I359-E363 HydrophobicContact CG2-CB 4.37Å; S360-E363 PolarHBondContact N-OE2 3.02Å; S360-E363 PolarHBondContact O-N 3.07Å; S360-E363 VanDerWaalsContact O-N 3.15Å; S360-E363 WeakPolarHBondContact OG-CG 3.35Å; S360-E363 PolarHBondContact OG-N 3.18Å; S360-E363 PolarHBondContact OG-OE2 2.94Å; E363-A367 WeakPolarHBondContact O-CB 3.48Å; E363-A367 PolarHBondContact O-N 3.42Å; E363-I371 HydrophobicContact CB-CG1 4.37Å; E363-K375 WeakPolarHBondContact OE1-CE 3.34Å; E363-K375 IonicContact OE1-NZ 3.09Å; E363-K375 PolarHBondContact OE1-NZ 2.93Å; E363-K375 IonicContact OE2-NZ 3.57Å
364Y98.4Very high96.1Very high8 Ų858.5 Ų58.53%0.03129%0.292CS..Hα-helixtrans-64.8-48.4173.3174.3-97.5000112.5T122 F126 E127 S360 K361 Q362 E366 A367 G368 P369T122-Y364 HydrophobicContact CG2-CD2 3.73Å; T122-Y364 HydrophobicContact CG2-CE2 3.92Å; F126-Y364 HydrophobicContact CB-CD1 3.64Å; F126-Y364 HydrophobicContact CB-CD2 4.29Å; F126-Y364 HydrophobicContact CB-CE1 3.73Å; F126-Y364 HydrophobicContact CB-CE2 4.34Å; F126-Y364 HydrophobicContact CB-CG 3.94Å; F126-Y364 HydrophobicContact CD1-CG 4.48Å; F126-Y364 AromaticContact CD2-CD1 3.97Å; F126-Y364 HydrophobicContact CD2-CD1 3.97Å; F126-Y364 AromaticContact CD2-CD2 3.35Å; F126-Y364 HydrophobicContact CD2-CD2 3.35Å; F126-Y364 AromaticContact CD2-CE2 3.98Å; F126-Y364 HydrophobicContact CD2-CE2 3.98Å; F126-Y364 AromaticContact CD2-CG 3.32Å; F126-Y364 HydrophobicContact CD2-CG 3.32Å; F126-Y364 AromaticContact CE2-CD2 3.89Å; F126-Y364 HydrophobicContact CE2-CD2 3.89Å; F126-Y364 AromaticContact CE2-CG 3.82Å; F126-Y364 HydrophobicContact CE2-CG 3.82Å; F126-Y364 AromaticContact CG-CD1 3.85Å; F126-Y364 HydrophobicContact CG-CD1 3.85Å; F126-Y364 HydrophobicContact CG-CD2 4.09Å; F126-Y364 HydrophobicContact CG-CE1 4.4Å; F126-Y364 AromaticContact CG-CG 3.68Å; F126-Y364 HydrophobicContact CG-CG 3.68Å; E127-Y364 VanDerWaalsContact CD-OH 3.3Å; E127-Y364 HydrophobicContact CG-CE1 4.1Å; E127-Y364 WeakPolarHBondContact CG-OH 3.18Å; E127-Y364 PolarHBondContact OE1-OH 2.93Å; S360-Y364 PolarHBondContact O-N 3.25Å; K361-Y364 WeakPolarHBondContact O-CB 3.46Å; K361-Y364 PolarHBondContact O-N 3.45Å; Q362-Y364 PolarHBondContact O-N 2.71Å; Y364-E366 PolarHBondContact O-N 3.41Å; Y364-A367 PolarHBondContact O-N 3.36Å; Y364-G368 WeakPolarHBondContact O-CA 3.49Å; Y364-G368 PolarHBondContact O-N 3.16Å; Y364-P369 HydrophobicContact CE2-CB 4.41Å; Y364-P369 HydrophobicContact CE2-CG 3.94Å
365D98.2Very high96.3Very high105 Ų10559.9 Ų59.956%0.56130%0.298SS*.Hα-helixtrans-63.5-28.9-178.7-67.1-22000111.6K361 Q362K361-D365 WeakPolarHBondContact CE-OD1 3.34Å; K361-D365 IonicContact NZ-OD1 2.88Å; K361-D365 VanDerWaalsContact O-CG 3.24Å; K361-D365 PolarHBondContact O-N 3.22Å; Q362-D365 PolarHBondContact O-N 2.87Å
366E97.8Very high96.6Very high144 Ų14456.4 Ų56.467%0.67328%0.282SS*.Hα-helixtrans-80.1-40.9176.9-70.6176.6-165.300114Q362 Y364Q362-E366 PolarHBondContact NE2-OE1 2.83Å; Q362-E366 WeakPolarHBondContact O-CG 3.45Å; Q362-E366 PolarHBondContact O-N 3Å; Q362-E366 VanDerWaalsContact O-N 3.08Å; Y364-E366 PolarHBondContact O-N 3.41Å
367A97.5Very high96.3Very high33 Ų3356 Ų5627%0.27328%0.278SS..Hα-helixtrans-110.2-9.8-171.300000114.8E363 Y364 S370 I371E363-A367 WeakPolarHBondContact O-CB 3.48Å; E363-A367 PolarHBondContact O-N 3.42Å; Y364-A367 PolarHBondContact O-N 3.36Å; A367-S370 PolarHBondContact O-OG 3.31Å; A367-I371 HydrophobicContact CB-CB 4Å; A367-I371 HydrophobicContact CB-CD1 4.03Å; A367-I371 HydrophobicContact CB-CG1 4.35Å
368G97.8Very high96.5Very high20 Ų2055.2 Ų55.221%0.20627%0.274CS..  trans64.8-167.5-172.900000113.7Y364 S370 I371Y364-G368 WeakPolarHBondContact O-CA 3.49Å; Y364-G368 PolarHBondContact O-N 3.16Å; G368-S370 PolarHBondContact O-N 3.32Å; G368-I371 WeakPolarHBondContact O-CB 3.23Å; G368-I371 WeakPolarHBondContact O-CG2 3.34Å; G368-I371 PolarHBondContact O-N 3.07Å; G368-I371 VanDerWaalsContact O-N 3.16Å
369P97.5Very high96.4Very high35 Ų3557.3 Ų57.323%0.22729%0.285CS..G310 helixtrans-55.1-27.4-176.6-28.835.3000115.4E119 Q123 Y364 I371 V372E119-P369 HydrophobicContact CB-CB 3.72Å; E119-P369 HydrophobicContact CG-CB 4.06Å; Q123-P369 HydrophobicContact CB-CG 4.15Å; Q123-P369 HydrophobicContact CG-CG 4.5Å; Y364-P369 HydrophobicContact CE2-CB 4.41Å; Y364-P369 HydrophobicContact CE2-CG 3.94Å; P369-I371 PolarHBondContact O-N 3.16Å; P369-I371 VanDerWaalsContact O-N 3.11Å; P369-V372 WeakPolarHBondContact O-CG1 3.42Å; P369-V372 PolarHBondContact O-N 3.21Å
370S97.7Very high96.4Very high44 Ų4460.5 Ų60.531%0.30830%0.301SS..G310 helixtrans-64.8-14.5-17875.70000114.3A367 G368 V372 H373A367-S370 PolarHBondContact O-OG 3.31Å; G368-S370 PolarHBondContact O-N 3.32Å; S370-V372 PolarHBondContact O-N 2.95Å; S370-H373 PolarHBondContact O-CD2 2.92Å; S370-H373 PolarHBondContact O-N 2.84Å; S370-H373 VanDerWaalsContact O-N 3.14Å
371I98Very high96.3Very high13 Ų1361.8 Ų61.87%0.06730%0.303CS..G310 helixtrans-55.9-30.2177-169.656.5000112.7T122 I359 E363 A367 G368 P369 H373 R374 K375T122-I371 HydrophobicContact CG2-CG2 4.32Å; I359-I371 HydrophobicContact CD1-CG2 4.32Å; I359-I371 HydrophobicContact CG1-CG1 4.47Å; I359-I371 HydrophobicContact CG2-CG1 4Å; I359-I371 HydrophobicContact CG2-CG2 3.64Å; E363-I371 HydrophobicContact CB-CG1 4.37Å; A367-I371 HydrophobicContact CB-CB 4Å; A367-I371 HydrophobicContact CB-CD1 4.03Å; A367-I371 HydrophobicContact CB-CG1 4.35Å; G368-I371 WeakPolarHBondContact O-CB 3.23Å; G368-I371 WeakPolarHBondContact O-CG2 3.34Å; G368-I371 PolarHBondContact O-N 3.07Å; G368-I371 VanDerWaalsContact O-N 3.16Å; P369-I371 PolarHBondContact O-N 3.16Å; P369-I371 VanDerWaalsContact O-N 3.11Å; I371-H373 PolarHBondContact O-N 3.01Å; I371-R374 HydrophobicContact CD1-CB 4.42Å; I371-R374 WeakPolarHBondContact O-CB 3.37Å; I371-R374 PolarHBondContact O-N 3.12Å; I371-K375 HydrophobicContact CD1-CG 4.35Å; I371-K375 PolarHBondContact O-N 3.28Å
372V97.9Very high96.2Very high0 Ų062 Ų620%031%0.306CS..Hα-helixtrans-56.4-34.9178.671.50000112.5R118 E119 V136 I359 P369 S370 R374 K375 C376R118-V372 HydrophobicContact CB-CG1 3.74Å; R118-V372 HydrophobicContact CB-CG2 4.2Å; E119-V372 HydrophobicContact CG-CG1 4.36Å; V136-V372 HydrophobicContact CB-CG2 4.34Å; V136-V372 HydrophobicContact CG2-CG2 4.01Å; I359-V372 HydrophobicContact CD1-CB 4.34Å; I359-V372 HydrophobicContact CD1-CG2 4.45Å; P369-V372 WeakPolarHBondContact O-CG1 3.42Å; P369-V372 PolarHBondContact O-N 3.21Å; S370-V372 PolarHBondContact O-N 2.95Å; V372-R374 PolarHBondContact O-N 3.34Å; V372-K375 PolarHBondContact O-N 3.25Å; V372-C376 HydrophobicContact CG2-CB 4.04Å; V372-C376 WeakPolarHBondContact O-CB 3.31Å; V372-C376 PolarHBondContact O-N 2.68Å
373H96.6Very high96.1Very high41 Ų4157.5 Ų57.519%0.1929%0.286CS..Hα-helixtrans-74.4-12.8179.8-53-53.1000113.8K115 E119 S370 I371K115-H373 VanDerWaalsContact CB-CE1 3.47Å; K115-H373 WeakPolarHBondContact CB-CE1 3.48Å; K115-H373 PolarHBondContact O-CE1 3.02Å; E119-H373 WeakPolarHBondContact CG-NE2 3.22Å; E119-H373 IonicContact OE1-CD2 3.24Å; E119-H373 IonicContact OE1-CE1 2.81Å; E119-H373 IonicContact OE1-NE2 3.57Å; E119-H373 PolarHBondContact OE1-NE2 3.32Å; S370-H373 PolarHBondContact O-CD2 2.92Å; S370-H373 PolarHBondContact O-N 2.84Å; S370-H373 VanDerWaalsContact O-N 3.14Å; I371-H373 PolarHBondContact O-N 3.01Å
374R94.4Very high96Very high164 Ų16457.6 Ų57.662%0.61929%0.288SS*.Hα-helixtrans-98.2-20.6179.8-58.5-175.9-173.4168.44113I371 V372 F377I371-R374 HydrophobicContact CD1-CB 4.42Å; I371-R374 WeakPolarHBondContact O-CB 3.37Å; I371-R374 PolarHBondContact O-N 3.12Å; V372-R374 PolarHBondContact O-N 3.34Å; R374-F377 WeakPolarHBondContact O-CE2 3.41Å; R374-F377 WeakPolarHBondContact O-CZ 3.37Å
375K94.1Very high95.8Very high40 Ų4061.4 Ų61.417%0.17431%0.307CS..Hα-helixtrans-119.1-26.8-172.2-66.3-95.9-72.7-156.90113.1Y135 Q356 M357 W358 I359 E363 I371 V372Y135-K375 WeakPolarHBondContact CE2-O 3.43Å; Y135-K375 PolarHBondContact OH-O 2.98Å; Q356-K375 PolarHBondContact O-NZ 2.71Å; M357-K375 WeakPolarHBondContact O-CE 3.49Å; W358-K375 WeakPolarHBondContact O-CE 3.14Å; W358-K375 PolarHBondContact O-NZ 3.29Å; I359-K375 HydrophobicContact CD1-CB 4.16Å; I359-K375 HydrophobicContact CG1-CB 3.76Å; I359-K375 HydrophobicContact CG1-CG 4.13Å; E363-K375 WeakPolarHBondContact OE1-CE 3.34Å; E363-K375 IonicContact OE1-NZ 3.09Å; E363-K375 PolarHBondContact OE1-NZ 2.93Å; E363-K375 IonicContact OE2-NZ 3.57Å; I371-K375 HydrophobicContact CD1-CG 4.35Å; I371-K375 PolarHBondContact O-N 3.28Å; V372-K375 PolarHBondContact O-N 3.25Å
376C93.5Very high95.6Very high0 Ų057.8 Ų57.80%029%0.286CS..  trans-108.7102.6-179.4-56.80000110.1R118 Y135 V136 V372R118-C376 PolarHBondContact NH1-O 2.77Å; R118-C376 PolarHBondContact NH2-O 2.91Å; Y135-C376 VanDerWaalsContact CD2-SG 3.52Å; Y135-C376 HydrophobicContact CE2-CB 4.33Å; Y135-C376 VanDerWaalsContact CE2-SG 3.54Å; V136-C376 HydrophobicContact CB-CB 4.4Å; V136-C376 PolarHBondContact N-SG 3.33Å; V136-C376 VanDerWaalsContact N-SG 3.4Å; V136-C376 WeakPolarHBondContact O-CB 3.41Å; V372-C376 HydrophobicContact CG2-CB 4.04Å; V372-C376 WeakPolarHBondContact O-CB 3.31Å; V372-C376 PolarHBondContact O-N 2.68Å
377F84.4Confident95.4Very high159 Ų15949.9 Ų49.970%0.69725%0.251SS*.  trans-104.90-175.8-63.5-73.3000113.2R374R374-F377 WeakPolarHBondContact O-CE2 3.41Å; R374-F377 WeakPolarHBondContact O-CZ 3.37Å

Retrieved 377 of 377 residues in 376.6 ms (Link to these results)

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