A0A096NMG6_PAPAN Loading...

Protein fem-1 homolog B

AlphaFold DB (Q9UK73), UniProt , Accession A0A096NMG6, Species PAPAN (Papio anubis, Olive baboon), Gene FEM1B, Length 627 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
1M84.9Confident93.4Very high104 Ų10455.9 Ų55.951%0.51229%0.293SS..  0-48.10-74.9-56.5-79.400112.6G3 L4 A5 D31 Y34 L35M1-G3 PolarHBondContact O-N 3.25Å; M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 3.06Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-A5 PolarHBondContact O-N 3.23Å; M1-D31 HydrophobicContact CE-CB 3.91Å; M1-Y34 HydrophobicContact CB-CD1 4.33Å; M1-Y34 HydrophobicContact CB-CE1 3.74Å; M1-Y34 HydrophobicContact CE-CD1 3.7Å; M1-Y34 HydrophobicContact CE-CE1 4.29Å; M1-Y34 HydrophobicContact CE-CG 4.4Å; M1-L35 HydrophobicContact CE-CD1 4.22Å; M1-L35 HydrophobicContact CE-CD2 3.87Å; M1-L35 HydrophobicContact CE-CG 3.82Å
2E86.6Confident93.8Very high129 Ų12951.3 Ų51.360%0.60327%0.269SS*.Hα-helixtrans-57.2-45.7-179.3-62.1177.5174.600114.4L4 A5 G6 Y38E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.23Å; E2-A5 WeakPolarHBondContact O-CB 3.4Å; E2-A5 PolarHBondContact O-N 3.16Å; E2-A5 VanDerWaalsContact O-N 3.07Å; E2-G6 PolarHBondContact O-N 3.41Å; E2-Y38 HydrophobicContact CG-CE2 4.11Å
3G89.3Confident94Very high53 Ų5349.5 Ų49.555%0.54626%0.263SS..Hα-helixtrans-58.6-37.9175.400000113.1M1 G6 Y7M1-G3 PolarHBondContact O-N 3.25Å; G3-G6 PolarHBondContact O-N 3.42Å; G3-Y7 WeakPolarHBondContact O-CD2 3.41Å; G3-Y7 PolarHBondContact O-N 3.06Å
4L93Very high94.3Very high35 Ų3551.8 Ų51.818%0.18327%0.272CS..Hα-helixtrans-67.9-39.8174.6-177.261.6000111.7M1 E2 G6 Y7 V8 L23 L35M1-L4 WeakPolarHBondContact O-CB 3.45Å; M1-L4 PolarHBondContact O-N 3.06Å; M1-L4 VanDerWaalsContact O-N 3.11Å; E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.23Å; L4-G6 PolarHBondContact O-N 3.29Å; L4-Y7 PolarHBondContact O-N 2.93Å; L4-Y7 VanDerWaalsContact O-N 3.1Å; L4-V8 WeakPolarHBondContact O-CG2 3.45Å; L4-V8 PolarHBondContact O-N 3.06Å; L4-L23 HydrophobicContact CD1-CD2 3.82Å; L4-L35 HydrophobicContact CB-CD2 4.08Å; L4-L35 HydrophobicContact CD2-CD1 3.76Å; L4-L35 HydrophobicContact CD2-CD2 4.1Å; L4-L35 HydrophobicContact CG-CD1 4.17Å; L4-L35 HydrophobicContact CG-CD2 3.9Å
5A94.6Very high94.5Very high0 Ų049.9 Ų49.90%027%0.269CS..Hα-helixtrans-58.4-38.7173.700000111.2M1 E2 Y7 V8 Y9 L35 Y38M1-A5 PolarHBondContact O-N 3.23Å; E2-A5 WeakPolarHBondContact O-CB 3.4Å; E2-A5 PolarHBondContact O-N 3.16Å; E2-A5 VanDerWaalsContact O-N 3.07Å; A5-Y7 PolarHBondContact O-N 3.36Å; A5-V8 PolarHBondContact O-N 3.37Å; A5-Y9 VanDerWaalsContact O-CB 3.31Å; A5-Y9 WeakPolarHBondContact O-CB 3.46Å; A5-Y9 PolarHBondContact O-N 2.82Å; A5-L35 HydrophobicContact CB-CD2 3.9Å; A5-Y38 HydrophobicContact CB-CD1 3.47Å; A5-Y38 VanDerWaalsContact CB-CD1 3.47Å; A5-Y38 HydrophobicContact CB-CD2 4.35Å; A5-Y38 HydrophobicContact CB-CE1 4.08Å; A5-Y38 HydrophobicContact CB-CG 3.63Å
6G94.4Very high94.8Very high26 Ų2653.3 Ų53.327%0.26828%0.281SS..Hα-helixtrans-59.6-42.9172.300000113.7E2 G3 L4 K10E2-G6 PolarHBondContact O-N 3.41Å; G3-G6 PolarHBondContact O-N 3.42Å; L4-G6 PolarHBondContact O-N 3.29Å; G6-K10 WeakPolarHBondContact O-CB 3.5Å; G6-K10 PolarHBondContact O-N 3.23Å
7Y95.8Very high95Very high155 Ų15552.5 Ų52.561%0.60828%0.279SS*.Hα-helixtrans-68.3-40175.5-68.3-67.3000112.8G3 L4 A5 K10 A11G3-Y7 WeakPolarHBondContact O-CD2 3.41Å; G3-Y7 PolarHBondContact O-N 3.06Å; L4-Y7 PolarHBondContact O-N 2.93Å; L4-Y7 VanDerWaalsContact O-N 3.1Å; A5-Y7 PolarHBondContact O-N 3.36Å; Y7-K10 PolarHBondContact O-N 3.13Å; Y7-A11 WeakPolarHBondContact O-CB 3.15Å; Y7-A11 PolarHBondContact O-N 2.93Å
8V97.5Very high95.1Very high0 Ų057.7 Ų57.70%031%0.306CS..Hα-helixtrans-60.8-48.3175167.10000110.3L4 A5 A11 A12 L20 L23 L24 L35 L36 P49L4-V8 WeakPolarHBondContact O-CG2 3.45Å; L4-V8 PolarHBondContact O-N 3.06Å; A5-V8 PolarHBondContact O-N 3.37Å; V8-A11 PolarHBondContact O-N 2.95Å; V8-A12 WeakPolarHBondContact O-CB 3.41Å; V8-A12 PolarHBondContact O-N 2.8Å; V8-L20 HydrophobicContact CB-CD1 4.37Å; V8-L20 HydrophobicContact CG1-CD1 3.67Å; V8-L23 HydrophobicContact CG2-CB 4.06Å; V8-L23 HydrophobicContact CG2-CD1 4.23Å; V8-L24 HydrophobicContact CG2-CD2 4.24Å; V8-L35 HydrophobicContact CG2-CB 4.49Å; V8-L35 HydrophobicContact CG2-CD1 4.45Å; V8-L36 HydrophobicContact CG1-CD2 4.02Å; V8-P49 HydrophobicContact CG1-CB 4.36Å; V8-P49 HydrophobicContact CG1-CG 3.84Å
9Y96.5Very high95.3Very high3 Ų358.2 Ų58.21%0.01231%0.312CS..Hα-helixtrans-59.7-47.2176.1-179.5-92.4000111.9A5 A11 A12 S13 S40 Q42 S47 I52A5-Y9 VanDerWaalsContact O-CB 3.31Å; A5-Y9 WeakPolarHBondContact O-CB 3.46Å; A5-Y9 PolarHBondContact O-N 2.82Å; Y9-A11 PolarHBondContact O-N 3.43Å; Y9-A12 PolarHBondContact O-N 3.41Å; Y9-S13 WeakPolarHBondContact O-CB 3.41Å; Y9-S13 PolarHBondContact O-N 3.04Å; Y9-S40 WeakPolarHBondContact CB-OG 3.02Å; Y9-S40 VanDerWaalsContact CD2-CB 3.46Å; Y9-S40 VanDerWaalsContact CG-CB 3.46Å; Y9-Q42 HydrophobicContact CE1-CB 4.18Å; Y9-Q42 HydrophobicContact CE1-CG 4.16Å; Y9-S47 VanDerWaalsContact CE2-O 3.23Å; Y9-S47 WeakPolarHBondContact CE2-O 3.35Å; Y9-S47 WeakPolarHBondContact CE2-OG 3.41Å; Y9-S47 PolarHBondContact OH-OG 2.84Å; Y9-I52 HydrophobicContact CD2-CG2 3.86Å; Y9-I52 HydrophobicContact CE1-CG1 4.39Å; Y9-I52 HydrophobicContact CE2-CB 3.74Å; Y9-I52 HydrophobicContact CE2-CG1 4.26Å; Y9-I52 HydrophobicContact CE2-CG2 3.53Å
10K96.5Very high95.4Very high106 Ų10655.3 Ų55.346%0.46130%0.296SS..Hα-helixtrans-61-44.8177.7-174.6172.8-178.6174.60111.8G6 Y7 A12 S13 E14G6-K10 WeakPolarHBondContact O-CB 3.5Å; G6-K10 PolarHBondContact O-N 3.23Å; Y7-K10 PolarHBondContact O-N 3.13Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 2.77Å; K10-S13 PolarHBondContact O-N 2.95Å; K10-E14 WeakPolarHBondContact CE-OE1 3.48Å; K10-E14 HydrophobicContact CG-CG 4.37Å; K10-E14 WeakPolarHBondContact CG-OE1 3.44Å; K10-E14 IonicContact NZ-OE1 3.76Å; K10-E14 WeakPolarHBondContact O-CB 3.36Å; K10-E14 WeakPolarHBondContact O-CG 3.41Å; K10-E14 PolarHBondContact O-N 2.94Å
11A98.1Very high95.5Very high4 Ų454.1 Ų54.13%0.03329%0.294CS..Hα-helixtrans-61.3-40176.900000112Y7 V8 Y9 G15 K16 T19 L20 L23Y7-A11 WeakPolarHBondContact O-CB 3.15Å; Y7-A11 PolarHBondContact O-N 2.93Å; V8-A11 PolarHBondContact O-N 2.95Å; Y9-A11 PolarHBondContact O-N 3.43Å; A11-G15 PolarHBondContact O-N 2.94Å; A11-G15 VanDerWaalsContact O-N 3.16Å; A11-K16 HydrophobicContact CB-CB 4.35Å; A11-K16 PolarHBondContact O-N 3.21Å; A11-T19 HydrophobicContact CB-CG2 4.25Å; A11-L20 HydrophobicContact CB-CB 4.14Å; A11-L23 HydrophobicContact CB-CD1 4.16Å
12A98.2Very high96Very high0 Ų052.3 Ų52.30%030%0.296CS..Hα-helixtrans-67.8-43.7175.600000112.3V8 Y9 K10 E14 G15 L20 P49 I52 A53 H58 V61V8-A12 WeakPolarHBondContact O-CB 3.41Å; V8-A12 PolarHBondContact O-N 2.8Å; Y9-A12 PolarHBondContact O-N 3.41Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 2.77Å; A12-E14 VanDerWaalsContact C-N 3.31Å; A12-E14 PolarHBondContact O-N 3.41Å; A12-G15 PolarHBondContact O-N 3.41Å; A12-L20 HydrophobicContact CB-CD2 4.41Å; A12-P49 HydrophobicContact CB-CB 3.78Å; A12-I52 HydrophobicContact CB-CG2 4.3Å; A12-A53 HydrophobicContact CB-CB 4.33Å; A12-H58 PolarHBondContact O-CD2 3.27Å; A12-H58 VanDerWaalsContact O-CD2 3.25Å; A12-V61 HydrophobicContact CB-CG1 4.06Å
13S96.9Very high96.5Very high28 Ų2847.9 Ų47.920%0.19628%0.276CS..Hα-helixtrans-62.1-35.6176.8-176.80000112.9Y9 K10 I52 N56 H58Y9-S13 WeakPolarHBondContact O-CB 3.41Å; Y9-S13 PolarHBondContact O-N 3.04Å; K10-S13 PolarHBondContact O-N 2.95Å; S13-I52 WeakPolarHBondContact OG-CG1 3.09Å; S13-N56 PolarHBondContact O-ND2 2.82Å; S13-N56 PolarHBondContact OG-ND2 3.44Å; S13-H58 PolarHBondContact O-CD2 3.17Å; S13-H58 PolarHBondContact O-NE2 3.34Å
14E97.8Very high96.9Very high82 Ų8245.5 Ų45.538%0.38325%0.25SS..THydrogen-bonded Turntrans-90.9-0.3-179.6-67176.4175.800113.4K10 A12 K16K10-E14 WeakPolarHBondContact CE-OE1 3.48Å; K10-E14 HydrophobicContact CG-CG 4.37Å; K10-E14 WeakPolarHBondContact CG-OE1 3.44Å; K10-E14 IonicContact NZ-OE1 3.76Å; K10-E14 WeakPolarHBondContact O-CB 3.36Å; K10-E14 WeakPolarHBondContact O-CG 3.41Å; K10-E14 PolarHBondContact O-N 2.94Å; A12-E14 VanDerWaalsContact C-N 3.31Å; A12-E14 PolarHBondContact O-N 3.41Å; E14-K16 VanDerWaalsContact C-N 3.29Å; E14-K16 HydrophobicContact CB-CD 4.24Å; E14-K16 HydrophobicContact CB-CG 4.1Å; E14-K16 PolarHBondContact O-N 3.13Å; E14-K16 WeakPolarHBondContact OE2-CD 3.47Å; E14-K16 WeakPolarHBondContact OE2-CE 3.37Å; E14-K16 IonicContact OE2-NZ 3.27Å; E14-K16 PolarHBondContact OE2-NZ 3.29Å
15G98Very high97Very high23 Ų2349 Ų4924%0.23727%0.269CS..THydrogen-bonded Turntrans73.616.6179.100000114.8A11 A12 V17 H58A11-G15 PolarHBondContact O-N 2.94Å; A11-G15 VanDerWaalsContact O-N 3.16Å; A12-G15 PolarHBondContact O-N 3.41Å; G15-V17 VanDerWaalsContact C-N 3.32Å; G15-V17 PolarHBondContact O-N 3.17Å; G15-H58 WeakPolarHBondContact CA-ND1 3.27Å; G15-H58 PolarHBondContact N-CD2 2.67Å; G15-H58 VanDerWaalsContact N-CD2 3.34Å; G15-H58 PolarHBondContact N-NE2 3.07Å
16K98.2Very high96.8Very high104 Ų10456.4 Ų56.445%0.45231%0.309SS..  trans-81.172.6-175.9-67.5179.9173.5165.20111.8A11 E14 L18 T19 L20A11-K16 HydrophobicContact CB-CB 4.35Å; A11-K16 PolarHBondContact O-N 3.21Å; E14-K16 VanDerWaalsContact C-N 3.29Å; E14-K16 HydrophobicContact CB-CD 4.24Å; E14-K16 HydrophobicContact CB-CG 4.1Å; E14-K16 PolarHBondContact O-N 3.13Å; E14-K16 WeakPolarHBondContact OE2-CD 3.47Å; E14-K16 WeakPolarHBondContact OE2-CE 3.37Å; E14-K16 IonicContact OE2-NZ 3.27Å; E14-K16 PolarHBondContact OE2-NZ 3.29Å; K16-L18 PolarHBondContact O-N 3.15Å; K16-T19 PolarHBondContact O-N 3.05Å; K16-L20 WeakPolarHBondContact O-CB 3.41Å; K16-L20 PolarHBondContact O-N 3.42Å
17V97.8Very high96.8Very high41 Ų4160.4 Ų60.425%0.24832%0.315CS..Hα-helixtrans-55.5-41.9-174.468.90000114.1G15 L20 A21 K60 V61 L64G15-V17 VanDerWaalsContact C-N 3.32Å; G15-V17 PolarHBondContact O-N 3.17Å; V17-L20 PolarHBondContact O-N 2.77Å; V17-A21 WeakPolarHBondContact O-CB 3.46Å; V17-A21 PolarHBondContact O-N 3.21Å; V17-K60 HydrophobicContact CB-CB 4.49Å; V17-K60 HydrophobicContact CG2-CB 4.45Å; V17-V61 HydrophobicContact CB-CG2 4.08Å; V17-L64 HydrophobicContact CG2-CB 4.13Å; V17-L64 HydrophobicContact CG2-CD2 3.73Å; V17-L64 HydrophobicContact CG2-CG 4.48Å
18L97.5Very high96.7Very high145 Ų14555.4 Ų55.476%0.75930%0.303SS*.Hα-helixtrans-71-40.1179.7-63.3179.9000112K16 L20 A21 A22K16-L18 PolarHBondContact O-N 3.15Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L18-A21 PolarHBondContact O-N 3.18Å; L18-A22 WeakPolarHBondContact O-CB 3.44Å; L18-A22 PolarHBondContact O-N 3.01Å
19T98.1Very high96.5Very high68 Ų6862.1 Ų62.142%0.41733%0.334SS..Hα-helixtrans-63.1-43.9174.7-52.90000110.5A11 K16 A22 L23A11-T19 HydrophobicContact CB-CG2 4.25Å; K16-T19 PolarHBondContact O-N 3.05Å; T19-A22 PolarHBondContact O-N 3.24Å; T19-L23 HydrophobicContact CG2-CD1 4.13Å; T19-L23 HydrophobicContact CG2-CG 4.43Å; T19-L23 VanDerWaalsContact O-CG 3.24Å; T19-L23 WeakPolarHBondContact O-CG 3.39Å; T19-L23 PolarHBondContact O-N 2.83Å
20L97.6Very high96.4Very high0 Ų065.1 Ų65.10%036%0.356CS..Hα-helixtrans-59.8-47.9176.1179.561.6000111.6V8 A11 A12 K16 V17 L18 A22 L23 L24 V61 L64 L65V8-L20 HydrophobicContact CB-CD1 4.37Å; V8-L20 HydrophobicContact CG1-CD1 3.67Å; A11-L20 HydrophobicContact CB-CB 4.14Å; A12-L20 HydrophobicContact CB-CD2 4.41Å; K16-L20 WeakPolarHBondContact O-CB 3.41Å; K16-L20 PolarHBondContact O-N 3.42Å; V17-L20 PolarHBondContact O-N 2.77Å; L18-L20 VanDerWaalsContact C-N 3.34Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 2.7Å; L20-L23 PolarHBondContact O-N 3.45Å; L20-L24 HydrophobicContact CD1-CD1 3.98Å; L20-L24 HydrophobicContact CD1-CG 4.44Å; L20-L24 HydrophobicContact CG-CD1 4.17Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.4Å; L20-V61 HydrophobicContact CD2-CG1 3.61Å; L20-L64 HydrophobicContact CD2-CD2 4.17Å; L20-L64 HydrophobicContact CG-CD2 4.31Å; L20-L65 HydrophobicContact CD2-CD2 4.01Å; L20-L65 HydrophobicContact CD2-CG 4.32Å
21A97.3Very high96.4Very high31 Ų3162.7 Ų62.726%0.25635%0.348SS..Hα-helixtrans-59.5-42.917600000112V17 L18 L24 L25 L64V17-A21 WeakPolarHBondContact O-CB 3.46Å; V17-A21 PolarHBondContact O-N 3.21Å; L18-A21 PolarHBondContact O-N 3.18Å; A21-L24 PolarHBondContact O-N 3.29Å; A21-L25 WeakPolarHBondContact O-CB 3.45Å; A21-L25 PolarHBondContact O-N 2.86Å; A21-L64 HydrophobicContact CB-CD2 4.13Å
22A97.1Very high96.3Very high66 Ų6663.8 Ų63.855%0.54535%0.353SS..Hα-helixtrans-64.6-38.7177.700000112.9L18 T19 L20 L24 L25L18-A22 WeakPolarHBondContact O-CB 3.44Å; L18-A22 PolarHBondContact O-N 3.01Å; T19-A22 PolarHBondContact O-N 3.24Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 2.7Å; A22-L24 PolarHBondContact O-N 3.3Å; A22-L25 PolarHBondContact O-N 3.4Å
23L97.1Very high96.1Very high36 Ų3671.2 Ų71.219%0.18838%0.381CS..Hα-helixtrans-65.9-29.1177.6-71.4169.7000112.8L4 V8 A11 T19 L20 R27L4-L23 HydrophobicContact CD1-CD2 3.82Å; V8-L23 HydrophobicContact CG2-CB 4.06Å; V8-L23 HydrophobicContact CG2-CD1 4.23Å; A11-L23 HydrophobicContact CB-CD1 4.16Å; T19-L23 HydrophobicContact CG2-CD1 4.13Å; T19-L23 HydrophobicContact CG2-CG 4.43Å; T19-L23 VanDerWaalsContact O-CG 3.24Å; T19-L23 WeakPolarHBondContact O-CG 3.39Å; T19-L23 PolarHBondContact O-N 2.83Å; L20-L23 PolarHBondContact O-N 3.45Å; L23-R27 PolarHBondContact O-NE 3.27Å
24L96.4Very high96.1Very high2 Ų274.2 Ų74.21%0.0139%0.389CS..Hα-helixtrans-94.7-11.2-179.7-62.5174.1000113.4V8 L20 A21 A22 R27 I32 L35 L36 Y69V8-L24 HydrophobicContact CG2-CD2 4.24Å; L20-L24 HydrophobicContact CD1-CD1 3.98Å; L20-L24 HydrophobicContact CD1-CG 4.44Å; L20-L24 HydrophobicContact CG-CD1 4.17Å; L20-L24 WeakPolarHBondContact O-CG 3.49Å; L20-L24 PolarHBondContact O-N 3.4Å; A21-L24 PolarHBondContact O-N 3.29Å; A22-L24 PolarHBondContact O-N 3.3Å; L24-R27 WeakPolarHBondContact O-CB 3.04Å; L24-R27 WeakPolarHBondContact O-CG 3.37Å; L24-I32 HydrophobicContact CD2-CG1 4.49Å; L24-L35 HydrophobicContact CD2-CB 4.34Å; L24-L35 HydrophobicContact CD2-CD1 3.99Å; L24-L36 HydrophobicContact CD1-CD1 4.3Å; L24-L36 HydrophobicContact CD1-CD2 4.08Å; L24-L36 HydrophobicContact CD1-CG 4.49Å; L24-L36 HydrophobicContact CD2-CD2 4.49Å; L24-Y69 HydrophobicContact CB-CE1 4.11Å; L24-Y69 WeakPolarHBondContact CB-OH 3.44Å; L24-Y69 HydrophobicContact CD1-CD2 4.06Å; L24-Y69 HydrophobicContact CD1-CE1 4.11Å; L24-Y69 HydrophobicContact CD1-CE2 3.56Å
25L94.8Very high96Very high110 Ų11070.3 Ų70.358%0.57637%0.371SS*.THydrogen-bonded Turntrans-63.8140.9-178.3-171.766.2000111.6A21 A22 R27A21-L25 WeakPolarHBondContact O-CB 3.45Å; A21-L25 PolarHBondContact O-N 2.86Å; A22-L25 PolarHBondContact O-N 3.4Å; L25-R27 PolarHBondContact O-N 3.27Å; L25-R27 VanDerWaalsContact O-N 3.15Å
26N90.9Very high96Very high155 Ų15569.5 Ų69.583%0.82936%0.361SS*.THydrogen-bonded Turntrans56.423.9178.8-58.6-28.3000114.9
27R93.7Very high95.8Very high109 Ų10966.1 Ų66.141%0.41136%0.355SS..  trans-91.6153.5173.7-62.5-75.9179.9-121.4-5.1110.5L23 L24 L25 D31 I32L23-R27 PolarHBondContact O-NE 3.27Å; L24-R27 WeakPolarHBondContact O-CB 3.04Å; L24-R27 WeakPolarHBondContact O-CG 3.37Å; L25-R27 PolarHBondContact O-N 3.27Å; L25-R27 VanDerWaalsContact O-N 3.15Å; R27-D31 HydrophobicContact CB-CB 4.28Å; R27-I32 HydrophobicContact CB-CD1 4.13Å; R27-I32 HydrophobicContact CB-CG1 3.72Å
28S94.6Very high95.7Very high50 Ų5067.4 Ų67.435%0.3536%0.356SS..  trans-66.4154.3169.872.40000110.6S30 D31 I32S28-S30 PolarHBondContact O-N 3.17Å; S28-S30 PolarHBondContact OG-OG 2.99Å; S28-D31 PolarHBondContact O-N 3.41Å; S28-D31 VanDerWaalsContact O-N 3.12Å; S28-D31 WeakPolarHBondContact OG-CB 3.5Å; S28-D31 PolarHBondContact OG-N 2.88Å; S28-D31 VanDerWaalsContact OG-N 3.15Å; S28-D31 PolarHBondContact OG-OD2 2.79Å; S28-I32 WeakPolarHBondContact O-CG1 3.48Å; S28-I32 PolarHBondContact O-N 3.33Å
29E93.5Very high95.6Very high141 Ų14163.4 Ų63.466%0.65934%0.338SS*.Hα-helixtrans-58.8-35.5175.7-68.6-170173.100112.7I32 R33E29-I32 PolarHBondContact O-N 3.23Å; E29-R33 WeakPolarHBondContact O-CB 3.45Å; E29-R33 WeakPolarHBondContact O-CG 3.3Å; E29-R33 PolarHBondContact O-N 3.36Å; E29-R33 IonicContact OE2-NH1 3.45Å; E29-R33 PolarHBondContact OE2-NH1 3.35Å
30S94.3Very high95.5Very high67 Ų6760.5 Ų60.547%0.46932%0.32SS..Hα-helixtrans-62.3-42.4175.5390000112S28 R33 Y34S28-S30 PolarHBondContact O-N 3.17Å; S28-S30 PolarHBondContact OG-OG 2.99Å; S30-R33 PolarHBondContact O-N 2.93Å; S30-Y34 WeakPolarHBondContact O-CB 3.32Å; S30-Y34 PolarHBondContact O-N 3.42Å
31D95.8Very high95.2Very high55 Ų5567.7 Ų67.729%0.29435%0.354SS..Hα-helixtrans-67.4-41.9178.1-63.7-35000110.9M1 R27 S28 Y34 L35M1-D31 HydrophobicContact CE-CB 3.91Å; R27-D31 HydrophobicContact CB-CB 4.28Å; S28-D31 PolarHBondContact O-N 3.41Å; S28-D31 VanDerWaalsContact O-N 3.12Å; S28-D31 WeakPolarHBondContact OG-CB 3.5Å; S28-D31 PolarHBondContact OG-N 2.88Å; S28-D31 VanDerWaalsContact OG-N 3.15Å; S28-D31 PolarHBondContact OG-OD2 2.79Å; D31-Y34 PolarHBondContact O-N 3.42Å; D31-L35 WeakPolarHBondContact O-CB 3.5Å; D31-L35 WeakPolarHBondContact O-CG 3.3Å; D31-L35 PolarHBondContact O-N 2.88Å
32I96.4Very high94.6Very high26 Ų2670.4 Ų70.413%0.13336%0.361CS..Hα-helixtrans-61.3-48177-67.1170000110.2L24 R27 S28 E29 Y34 L35 L36 Y69L24-I32 HydrophobicContact CD2-CG1 4.49Å; R27-I32 HydrophobicContact CB-CD1 4.13Å; R27-I32 HydrophobicContact CB-CG1 3.72Å; S28-I32 WeakPolarHBondContact O-CG1 3.48Å; S28-I32 PolarHBondContact O-N 3.33Å; E29-I32 PolarHBondContact O-N 3.23Å; I32-Y34 VanDerWaalsContact C-N 3.33Å; I32-Y34 PolarHBondContact O-N 3.23Å; I32-L35 PolarHBondContact O-N 3.21Å; I32-L36 HydrophobicContact CG2-CD1 3.64Å; I32-L36 HydrophobicContact CG2-CG 4.31Å; I32-L36 WeakPolarHBondContact O-CB 3.15Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 2.98Å; I32-Y69 HydrophobicContact CD1-CD1 4.42Å; I32-Y69 HydrophobicContact CD1-CE1 4.16Å; I32-Y69 HydrophobicContact CG2-CD1 3.72Å; I32-Y69 HydrophobicContact CG2-CE1 4.26Å; I32-Y69 HydrophobicContact CG2-CG 4.42Å
33R95.1Very high93.6Very high156 Ų15670.8 Ų70.859%0.58937%0.371SS*.Hα-helixtrans-59.4-43.3176.6-76.3-167.9-63.4-96.72.1111.8E29 S30 G37E29-R33 WeakPolarHBondContact O-CB 3.45Å; E29-R33 WeakPolarHBondContact O-CG 3.3Å; E29-R33 PolarHBondContact O-N 3.36Å; E29-R33 IonicContact OE2-NH1 3.45Å; E29-R33 PolarHBondContact OE2-NH1 3.35Å; S30-R33 PolarHBondContact O-N 2.93Å; R33-G37 PolarHBondContact O-N 3.18Å
34Y95.4Very high92.8Very high91 Ų9170.7 Ų70.736%0.35738%0.379SS..Hα-helixtrans-59.2-53.3174.9175.4-85.8000111.2M1 S30 D31 I32 L36 G37 Y38M1-Y34 HydrophobicContact CB-CD1 4.33Å; M1-Y34 HydrophobicContact CB-CE1 3.74Å; M1-Y34 HydrophobicContact CE-CD1 3.7Å; M1-Y34 HydrophobicContact CE-CE1 4.29Å; M1-Y34 HydrophobicContact CE-CG 4.4Å; S30-Y34 WeakPolarHBondContact O-CB 3.32Å; S30-Y34 PolarHBondContact O-N 3.42Å; D31-Y34 PolarHBondContact O-N 3.42Å; I32-Y34 VanDerWaalsContact C-N 3.33Å; I32-Y34 PolarHBondContact O-N 3.23Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 2.98Å; Y34-G37 PolarHBondContact O-N 3.2Å; Y34-Y38 AromaticContact CE1-CD2 3.83Å; Y34-Y38 HydrophobicContact CE1-CD2 3.83Å; Y34-Y38 HydrophobicContact CE1-CE2 4.44Å; Y34-Y38 HydrophobicContact CE1-CG 4.5Å; Y34-Y38 HydrophobicContact CE2-CD2 4.3Å; Y34-Y38 AromaticContact CZ-CD2 3.6Å; Y34-Y38 AromaticContact CZ-CE2 3.96Å; Y34-Y38 WeakPolarHBondContact O-CB 3.32Å; Y34-Y38 PolarHBondContact O-N 2.89Å; Y34-Y38 WeakPolarHBondContact OH-CD2 3.39Å; Y34-Y38 VanDerWaalsContact OH-CE2 3.25Å; Y34-Y38 WeakPolarHBondContact OH-CE2 3.44Å
35L97.1Very high92.4Very high0 Ų071.5 Ų71.50%038%0.383CS..Hα-helixtrans-63.2-38.5-175.5-68.6168.8000112.6M1 L4 A5 V8 L24 D31 I32M1-L35 HydrophobicContact CE-CD1 4.22Å; M1-L35 HydrophobicContact CE-CD2 3.87Å; M1-L35 HydrophobicContact CE-CG 3.82Å; L4-L35 HydrophobicContact CB-CD2 4.08Å; L4-L35 HydrophobicContact CD2-CD1 3.76Å; L4-L35 HydrophobicContact CD2-CD2 4.1Å; L4-L35 HydrophobicContact CG-CD1 4.17Å; L4-L35 HydrophobicContact CG-CD2 3.9Å; A5-L35 HydrophobicContact CB-CD2 3.9Å; V8-L35 HydrophobicContact CG2-CB 4.49Å; V8-L35 HydrophobicContact CG2-CD1 4.45Å; L24-L35 HydrophobicContact CD2-CB 4.34Å; L24-L35 HydrophobicContact CD2-CD1 3.99Å; D31-L35 WeakPolarHBondContact O-CB 3.5Å; D31-L35 WeakPolarHBondContact O-CG 3.3Å; D31-L35 PolarHBondContact O-N 2.88Å; I32-L35 PolarHBondContact O-N 3.21Å
36L96.7Very high92.4Very high6 Ų672.5 Ų72.53%0.03138%0.379CS..Hα-helixtrans-83.1-19.1-179.7-62.9179.2000113.4V8 L24 I32 Y34 P49 L65 Y69 V71 Q75V8-L36 HydrophobicContact CG1-CD2 4.02Å; L24-L36 HydrophobicContact CD1-CD1 4.3Å; L24-L36 HydrophobicContact CD1-CD2 4.08Å; L24-L36 HydrophobicContact CD1-CG 4.49Å; L24-L36 HydrophobicContact CD2-CD2 4.49Å; I32-L36 HydrophobicContact CG2-CD1 3.64Å; I32-L36 HydrophobicContact CG2-CG 4.31Å; I32-L36 WeakPolarHBondContact O-CB 3.15Å; I32-L36 WeakPolarHBondContact O-CG 3.46Å; I32-L36 PolarHBondContact O-N 2.98Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 2.98Å; L36-P49 HydrophobicContact CD2-CB 4.24Å; L36-P49 HydrophobicContact CD2-CG 4.3Å; L36-L65 HydrophobicContact CD1-CD2 4.02Å; L36-L65 HydrophobicContact CD2-CD2 3.49Å; L36-L65 VanDerWaalsContact CD2-CD2 3.49Å; L36-L65 HydrophobicContact CG-CD2 4.38Å; L36-Y69 HydrophobicContact CD1-CD1 4.49Å; L36-Y69 HydrophobicContact CD1-CD2 4.44Å; L36-Y69 HydrophobicContact CD1-CG 3.98Å; L36-V71 HydrophobicContact CB-CG2 3.98Å; L36-V71 HydrophobicContact CD1-CG2 3.5Å; L36-V71 HydrophobicContact CG-CG2 4.26Å; L36-Q75 PolarHBondContact O-NE2 3.27Å
37G95.3Very high92.7Very high33 Ų3365.1 Ų65.134%0.3434%0.34SS..Hα-helixtrans-90.9-12.7170.700000113.9R33 Y34 V39R33-G37 PolarHBondContact O-N 3.18Å; Y34-G37 PolarHBondContact O-N 3.2Å; G37-V39 PolarHBondContact O-N 3.2Å
38Y95.5Very high92.9Very high69 Ų6960.1 Ų60.127%0.27132%0.321SS..  trans-67.6122.1-176-167.6-92.7000111.2E2 A5 Y34 S40E2-Y38 HydrophobicContact CG-CE2 4.11Å; A5-Y38 HydrophobicContact CB-CD1 3.47Å; A5-Y38 VanDerWaalsContact CB-CD1 3.47Å; A5-Y38 HydrophobicContact CB-CD2 4.35Å; A5-Y38 HydrophobicContact CB-CE1 4.08Å; A5-Y38 HydrophobicContact CB-CG 3.63Å; Y34-Y38 AromaticContact CE1-CD2 3.83Å; Y34-Y38 HydrophobicContact CE1-CD2 3.83Å; Y34-Y38 HydrophobicContact CE1-CE2 4.44Å; Y34-Y38 HydrophobicContact CE1-CG 4.5Å; Y34-Y38 HydrophobicContact CE2-CD2 4.3Å; Y34-Y38 AromaticContact CZ-CD2 3.6Å; Y34-Y38 AromaticContact CZ-CE2 3.96Å; Y34-Y38 WeakPolarHBondContact O-CB 3.32Å; Y34-Y38 PolarHBondContact O-N 2.89Å; Y34-Y38 WeakPolarHBondContact OH-CD2 3.39Å; Y34-Y38 VanDerWaalsContact OH-CE2 3.25Å; Y34-Y38 WeakPolarHBondContact OH-CE2 3.44Å; Y38-S40 PolarHBondContact O-N 3.48Å
39V95.5Very high93Very high60 Ų6057.7 Ų57.736%0.36430%0.304SS..  trans-82.7106.9177.7-178.40000108.7G37 R46 T48G37-V39 PolarHBondContact O-N 3.2Å; V39-R46 HydrophobicContact CG1-CB 3.75Å; V39-T48 HydrophobicContact CG2-CG2 4.02Å
40S94.8Very high93.3Very high7 Ų751 Ų515%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-88.4138.6178.8-57.40000110.5Y9 Y38 R46 S47Y9-S40 WeakPolarHBondContact CB-OG 3.02Å; Y9-S40 VanDerWaalsContact CD2-CB 3.46Å; Y9-S40 VanDerWaalsContact CG-CB 3.46Å; Y38-S40 PolarHBondContact O-N 3.48Å; S40-R46 WeakPolarHBondContact O-CA 3.38Å; S40-S47 PolarHBondContact N-O 3.37Å; S40-S47 PolarHBondContact O-N 3Å
41Q91.4Very high93.5Very high151 Ų15147.9 Ų47.971%0.70625%0.251SS*.EExtended strand (participates in β ladder)trans-101.2111.9175.1-174.1172-7.200110.6Q45 R46Q41-Q45 CarbonylContact C-O 3.5Å; Q41-Q45 VanDerWaalsContact CA-O 3.26Å; Q41-Q45 WeakPolarHBondContact CA-O 3.22Å; Q41-R46 HydrophobicContact CB-CG 4.3Å; Q41-R46 HydrophobicContact CG-CG 4.14Å
42Q85.1Confident93.5Very high89 Ų8945.4 Ų45.442%0.41624%0.238SC..EExtended strand (participates in β ladder)trans-145138.2175.6-71.2-167-4.700110.8Y9 G44 Q45Y9-Q42 HydrophobicContact CE1-CB 4.18Å; Y9-Q42 HydrophobicContact CE1-CG 4.16Å; Q42-G44 PolarHBondContact O-N 2.73Å; Q42-Q45 PolarHBondContact N-O 2.95Å; Q42-Q45 WeakPolarHBondContact O-CB 3.24Å; Q42-Q45 PolarHBondContact O-N 3.03Å
43G77.1Confident93.6Very high73 Ų7344.1 Ų44.175%0.75323%0.231SC*.THydrogen-bonded Turntrans57.733.1177.400000113.8Q45G43-Q45 PolarHBondContact O-N 3.39Å
44G78.7Confident93.8Very high35 Ų3536.7 Ų36.736%0.36120%0.203SC..THydrogen-bonded Turntrans67.917.8-176.500000114.8Q42 R80Q42-G44 PolarHBondContact O-N 2.73Å; G44-R80 PolarHBondContact O-NE 2.94Å; G44-R80 PolarHBondContact O-NH2 3.27Å
45Q88.7Confident93.9Very high19 Ų1935.2 Ų35.29%0.08920%0.197CC..EExtended strand (participates in β ladder)trans-111.3150170.9-60.1-178.291.400109.6Q41 Q42 G43 T78 R80Q41-Q45 CarbonylContact C-O 3.5Å; Q41-Q45 VanDerWaalsContact CA-O 3.26Å; Q41-Q45 WeakPolarHBondContact CA-O 3.22Å; Q42-Q45 PolarHBondContact N-O 2.95Å; Q42-Q45 WeakPolarHBondContact O-CB 3.24Å; Q42-Q45 PolarHBondContact O-N 3.03Å; G43-Q45 PolarHBondContact O-N 3.39Å; Q45-T78 CarbonylContact C-O 3.59Å; Q45-T78 VanDerWaalsContact CA-O 3.28Å; Q45-T78 WeakPolarHBondContact CA-O 3.42Å; Q45-T78 WeakPolarHBondContact CB-O 3.23Å; Q45-R80 HydrophobicContact CG-CB 4.08Å; Q45-R80 HydrophobicContact CG-CG 4.06Å
46R95.1Very high93.9Very high131 Ų13137.7 Ų37.749%0.49421%0.21SC..EExtended strand (participates in β ladder)trans-123.8103.6175-68.6174.767-137.15.2107.9V39 S40 Q41 G77 T78V39-R46 HydrophobicContact CG1-CB 3.75Å; S40-R46 WeakPolarHBondContact O-CA 3.38Å; Q41-R46 HydrophobicContact CB-CG 4.3Å; Q41-R46 HydrophobicContact CG-CG 4.14Å; R46-G77 CarbonylContact O-C 3.49Å; R46-G77 WeakPolarHBondContact O-CA 3.33Å; R46-T78 PolarHBondContact N-O 3.25Å; R46-T78 PolarHBondContact O-N 3.31Å
47S96.5Very high93.9Very high0 Ų038.6 Ų38.60%022%0.221CC..EExtended strand (participates in β ladder)trans-148.3161.6-174.972.40000113.2Y9 S40Y9-S47 VanDerWaalsContact CE2-O 3.23Å; Y9-S47 WeakPolarHBondContact CE2-O 3.35Å; Y9-S47 WeakPolarHBondContact CE2-OG 3.41Å; Y9-S47 PolarHBondContact OH-OG 2.84Å; S40-S47 PolarHBondContact N-O 3.37Å; S40-S47 PolarHBondContact O-N 3Å
48T97.8Very high94.1Very high3 Ų339.5 Ų39.52%0.01822%0.216CC..  trans-88.9165.1176660000110.8V39 L50 I51 I52 Q75V39-T48 HydrophobicContact CG2-CG2 4.02Å; T48-L50 PolarHBondContact O-N 3.21Å; T48-I51 HydrophobicContact CG2-CD1 4.5Å; T48-I51 PolarHBondContact O-N 2.94Å; T48-I51 VanDerWaalsContact O-N 3.11Å; T48-I51 WeakPolarHBondContact OG1-CG1 3.36Å; T48-I52 PolarHBondContact O-N 3.32Å; T48-I52 VanDerWaalsContact O-N 3.08Å; T48-Q75 HydrophobicContact CG2-CB 4.38Å; T48-Q75 PolarHBondContact OG1-OE1 3.35Å
49P98.2Very high94.2Very high0 Ų037.5 Ų37.50%021%0.214CC..Hα-helixtrans-52.9-36.3175.6-3037.8000114.1V8 A12 L36 I52 A53 L65V8-P49 HydrophobicContact CG1-CB 4.36Å; V8-P49 HydrophobicContact CG1-CG 3.84Å; A12-P49 HydrophobicContact CB-CB 3.78Å; L36-P49 HydrophobicContact CD2-CB 4.24Å; L36-P49 HydrophobicContact CD2-CG 4.3Å; P49-I52 WeakPolarHBondContact O-CG2 3.26Å; P49-A53 WeakPolarHBondContact O-CB 3.33Å; P49-A53 PolarHBondContact O-N 2.73Å; P49-A53 VanDerWaalsContact O-N 3.11Å; P49-L65 HydrophobicContact CB-CD1 4.41Å
50L98.7Very high94.4Very high1 Ų142.3 Ų42.31%0.00523%0.23CC..Hα-helixtrans-67.4-45.4177.2-179.862.3000111.8T48 A54 V62 L65 L66 V71 A91 L107T48-L50 PolarHBondContact O-N 3.21Å; L50-A54 VanDerWaalsContact O-CB 3.24Å; L50-A54 WeakPolarHBondContact O-CB 3.31Å; L50-A54 PolarHBondContact O-N 3.38Å; L50-V62 HydrophobicContact CD1-CG1 4.1Å; L50-V62 HydrophobicContact CD1-CG2 4.48Å; L50-L65 HydrophobicContact CB-CD1 4.15Å; L50-L65 HydrophobicContact CD1-CB 4.32Å; L50-L65 HydrophobicContact CD1-CD1 4.18Å; L50-L66 HydrophobicContact CD1-CD2 4.23Å; L50-L66 HydrophobicContact CD1-CG 4.39Å; L50-L66 HydrophobicContact CD2-CD2 4.18Å; L50-V71 HydrophobicContact CB-CG1 4.17Å; L50-V71 HydrophobicContact CD2-CB 4.45Å; L50-V71 HydrophobicContact CD2-CG1 3.87Å; L50-A91 HydrophobicContact CD2-CB 4.23Å; L50-A91 HydrophobicContact CG-CB 3.87Å; L50-L107 HydrophobicContact CD1-CD2 4.24Å; L50-L107 HydrophobicContact CD2-CD2 4.4Å
51I98.3Very high94.6Very high0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-64.1-47.5-178.4-64.8170.7000110.7T48 A54 R55 Q75 V79 A91T48-I51 HydrophobicContact CG2-CD1 4.5Å; T48-I51 PolarHBondContact O-N 2.94Å; T48-I51 VanDerWaalsContact O-N 3.11Å; T48-I51 WeakPolarHBondContact OG1-CG1 3.36Å; I51-A54 PolarHBondContact O-N 2.95Å; I51-R55 WeakPolarHBondContact O-CB 3.42Å; I51-R55 PolarHBondContact O-N 2.84Å; I51-Q75 HydrophobicContact CD1-CB 4.34Å; I51-V79 HydrophobicContact CG2-CG1 3.92Å; I51-A91 HydrophobicContact CG1-CB 4.24Å
52I97.2Very high94.9Very high3 Ų334.8 Ų34.82%0.01519%0.194CC..Hα-helixtrans-68.7-37-178.8-165.859.8000112.2Y9 A12 S13 T48 P49 A54 N56Y9-I52 HydrophobicContact CD2-CG2 3.86Å; Y9-I52 HydrophobicContact CE1-CG1 4.39Å; Y9-I52 HydrophobicContact CE2-CB 3.74Å; Y9-I52 HydrophobicContact CE2-CG1 4.26Å; Y9-I52 HydrophobicContact CE2-CG2 3.53Å; A12-I52 HydrophobicContact CB-CG2 4.3Å; S13-I52 WeakPolarHBondContact OG-CG1 3.09Å; T48-I52 PolarHBondContact O-N 3.32Å; T48-I52 VanDerWaalsContact O-N 3.08Å; P49-I52 WeakPolarHBondContact O-CG2 3.26Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-N56 WeakPolarHBondContact O-CB 3.28Å; I52-N56 PolarHBondContact O-N 2.89Å; I52-N56 VanDerWaalsContact O-N 3.08Å
53A98.5Very high95.6Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-64.9-38.9174.300000111.7A12 P49 G57 H58 V61 V62A12-A53 HydrophobicContact CB-CB 4.33Å; P49-A53 WeakPolarHBondContact O-CB 3.33Å; P49-A53 PolarHBondContact O-N 2.73Å; P49-A53 VanDerWaalsContact O-N 3.11Å; A53-G57 PolarHBondContact O-N 2.74Å; A53-G57 VanDerWaalsContact O-N 3.14Å; A53-H58 HydrophobicContact CB-CB 4.36Å; A53-H58 PolarHBondContact O-N 3.24Å; A53-V61 HydrophobicContact CB-CB 4.17Å; A53-V61 HydrophobicContact CB-CG1 3.55Å; A53-V62 HydrophobicContact CB-CG2 3.97Å
54A98.7Very high96.6Very high0 Ų033.1 Ų33.10%016%0.163CC..Hα-helixtrans-69.2-44.2177.800000112.4L50 I51 I52 N56 G57 V62 A91 A95 H100 V103 L107L50-A54 VanDerWaalsContact O-CB 3.24Å; L50-A54 WeakPolarHBondContact O-CB 3.31Å; L50-A54 PolarHBondContact O-N 3.38Å; I51-A54 PolarHBondContact O-N 2.95Å; I52-A54 VanDerWaalsContact C-N 3.33Å; A54-N56 VanDerWaalsContact C-N 3.27Å; A54-N56 PolarHBondContact O-N 3.16Å; A54-G57 PolarHBondContact O-N 3.27Å; A54-V62 HydrophobicContact CB-CG2 4.3Å; A54-A91 HydrophobicContact CB-CB 3.79Å; A54-A91 WeakPolarHBondContact CB-O 3.39Å; A54-A95 HydrophobicContact CB-CB 4.34Å; A54-H100 PolarHBondContact O-CD2 2.84Å; A54-V103 HydrophobicContact CB-CG1 3.75Å; A54-L107 HydrophobicContact CB-CD1 4.18Å
55R96.4Very high97.5Very high60 Ų6031.5 Ų31.523%0.22615%0.146CC..Hα-helixtrans-57.5-37.9174-179.7174.2175.5-99.85.3112.7I51 R80 F81 C94 A98 H100I51-R55 WeakPolarHBondContact O-CB 3.42Å; I51-R55 PolarHBondContact O-N 2.84Å; R55-R80 PolarHBondContact NE-O 3.26Å; R55-R80 PolarHBondContact NH2-O 3.09Å; R55-F81 HydrophobicContact CG-CE2 4.25Å; R55-F81 HydrophobicContact CG-CZ 4.01Å; R55-C94 HydrophobicContact CB-CB 3.87Å; R55-C94 HydrophobicContact CG-CB 4.48Å; R55-A98 WeakPolarHBondContact O-CB 3.26Å; R55-H100 PolarHBondContact O-CD2 2.93Å; R55-H100 PolarHBondContact O-NE2 3.45Å; R55-H100 VanDerWaalsContact O-NE2 3.11Å
56N97.1Very high98Very high52 Ų5230.9 Ų30.928%0.27814%0.143SC..THydrogen-bonded Turntrans-93.13.5-177.8-63.7-6.5000113.3S13 I52 A54 H58S13-N56 PolarHBondContact O-ND2 2.82Å; S13-N56 PolarHBondContact OG-ND2 3.44Å; I52-N56 WeakPolarHBondContact O-CB 3.28Å; I52-N56 PolarHBondContact O-N 2.89Å; I52-N56 VanDerWaalsContact O-N 3.08Å; A54-N56 VanDerWaalsContact C-N 3.27Å; A54-N56 PolarHBondContact O-N 3.16Å; N56-H58 PolarHBondContact O-N 2.81Å
57G98.3Very high98.1Very high24 Ų2428.7 Ų28.725%0.24714%0.138CC..THydrogen-bonded Turntrans77.418173.200000115.5A53 A54 A59 H100A53-G57 PolarHBondContact O-N 2.74Å; A53-G57 VanDerWaalsContact O-N 3.14Å; A54-G57 PolarHBondContact O-N 3.27Å; G57-A59 VanDerWaalsContact C-N 3.28Å; G57-A59 PolarHBondContact O-N 3.22Å; G57-H100 WeakPolarHBondContact CA-CD2 3.3Å; G57-H100 VanDerWaalsContact CA-CG 3.42Å; G57-H100 WeakPolarHBondContact CA-NE2 3.38Å; G57-H100 PolarHBondContact N-CD2 3.45Å; G57-H100 PolarHBondContact N-NE2 2.68Å
58H98.7Very high98Very high53 Ų5335.1 Ų35.125%0.24517%0.168CC..  trans-79.170.1-175.5-64.9-50.2000112.5A12 S13 G15 A53 N56 K60 V61 V62A12-H58 PolarHBondContact O-CD2 3.27Å; A12-H58 VanDerWaalsContact O-CD2 3.25Å; S13-H58 PolarHBondContact O-CD2 3.17Å; S13-H58 PolarHBondContact O-NE2 3.34Å; G15-H58 WeakPolarHBondContact CA-ND1 3.27Å; G15-H58 PolarHBondContact N-CD2 2.67Å; G15-H58 VanDerWaalsContact N-CD2 3.34Å; G15-H58 PolarHBondContact N-NE2 3.07Å; A53-H58 HydrophobicContact CB-CB 4.36Å; A53-H58 PolarHBondContact O-N 3.24Å; N56-H58 PolarHBondContact O-N 2.81Å; H58-K60 VanDerWaalsContact C-N 3.26Å; H58-K60 PolarHBondContact O-N 3.41Å; H58-K60 VanDerWaalsContact O-N 3.12Å; H58-V61 HydrophobicContact CB-CB 4Å; H58-V61 HydrophobicContact CB-CG2 4.19Å; H58-V61 WeakPolarHBondContact O-CA 3.43Å; H58-V61 WeakPolarHBondContact O-CB 3.45Å; H58-V61 PolarHBondContact O-N 3.17Å; H58-V62 PolarHBondContact O-N 3.19Å
59A98.7Very high98Very high27 Ų2737.9 Ų37.922%0.22318%0.178CC..Hα-helixtrans-53.7-36.3-174.300000114.2G57 V62 R63 E102 V103 L106G57-A59 VanDerWaalsContact C-N 3.28Å; G57-A59 PolarHBondContact O-N 3.22Å; A59-V62 PolarHBondContact O-N 2.88Å; A59-R63 VanDerWaalsContact O-CB 3.22Å; A59-R63 WeakPolarHBondContact O-CB 3.41Å; A59-R63 PolarHBondContact O-N 3.49Å; A59-E102 HydrophobicContact CB-CB 4.43Å; A59-V103 HydrophobicContact CB-CG2 4.08Å; A59-L106 HydrophobicContact CB-CD1 4.17Å
60K98.6Very high97.8Very high160 Ų16048.1 Ų48.170%0.69622%0.217SC*.Hα-helixtrans-65.6-38.8176.2-67.6-178.4-179.1176.70112.6V17 H58 L64V17-K60 HydrophobicContact CB-CB 4.49Å; V17-K60 HydrophobicContact CG2-CB 4.45Å; H58-K60 VanDerWaalsContact C-N 3.26Å; H58-K60 PolarHBondContact O-N 3.41Å; H58-K60 VanDerWaalsContact O-N 3.12Å; K60-L64 WeakPolarHBondContact O-CB 3.22Å; K60-L64 PolarHBondContact O-N 3.47Å
61V98.8Very high97.6Very high1 Ų148.8 Ų48.81%0.00622%0.221CC..Hα-helixtrans-69.6-47.8175.5168.80000109.9A12 V17 L20 A53 H58 R63 L64 L65A12-V61 HydrophobicContact CB-CG1 4.06Å; V17-V61 HydrophobicContact CB-CG2 4.08Å; L20-V61 HydrophobicContact CD2-CG1 3.61Å; A53-V61 HydrophobicContact CB-CB 4.17Å; A53-V61 HydrophobicContact CB-CG1 3.55Å; H58-V61 HydrophobicContact CB-CB 4Å; H58-V61 HydrophobicContact CB-CG2 4.19Å; H58-V61 WeakPolarHBondContact O-CA 3.43Å; H58-V61 WeakPolarHBondContact O-CB 3.45Å; H58-V61 PolarHBondContact O-N 3.17Å; V61-R63 VanDerWaalsContact C-N 3.29Å; V61-R63 PolarHBondContact O-N 3.39Å; V61-L64 WeakPolarHBondContact O-CB 3.33Å; V61-L64 PolarHBondContact O-N 3.17Å; V61-L64 VanDerWaalsContact O-N 3.14Å; V61-L65 HydrophobicContact CG1-CD1 3.94Å; V61-L65 HydrophobicContact CG1-CG 4.28Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.3Å; V61-L65 PolarHBondContact O-N 2.92Å
62V98.8Very high97.4Very high0 Ų055.7 Ų55.70%025%0.254CS..Hα-helixtrans-56.9-46.2177.6173.70000110.4L50 A53 A54 H58 A59 L64 L65 L66 V103 L106 L107L50-V62 HydrophobicContact CD1-CG1 4.1Å; L50-V62 HydrophobicContact CD1-CG2 4.48Å; A53-V62 HydrophobicContact CB-CG2 3.97Å; A54-V62 HydrophobicContact CB-CG2 4.3Å; H58-V62 PolarHBondContact O-N 3.19Å; A59-V62 PolarHBondContact O-N 2.88Å; V62-L64 PolarHBondContact O-N 3.37Å; V62-L65 PolarHBondContact O-N 3.06Å; V62-L66 HydrophobicContact CG1-CD1 3.61Å; V62-L66 HydrophobicContact CG1-CG 4.24Å; V62-L66 VanDerWaalsContact O-CG 3.28Å; V62-L66 WeakPolarHBondContact O-CG 3.48Å; V62-L66 PolarHBondContact O-N 3.31Å; V62-V103 HydrophobicContact CG1-CG1 4.29Å; V62-V103 HydrophobicContact CG2-CG1 4.06Å; V62-V103 HydrophobicContact CG2-CG2 4.42Å; V62-L106 HydrophobicContact CG1-CB 4.28Å; V62-L106 HydrophobicContact CG1-CD1 4.39Å; V62-L107 HydrophobicContact CG1-CD2 4.35Å; V62-L107 HydrophobicContact CG1-CG 4.36Å
63R98.7Very high97.4Very high105 Ų10555.9 Ų55.940%0.39626%0.255SS..Hα-helixtrans-56.4-50.3174.5-170.8-174.7-57.2-77.8-0.8112.2A59 V61 L65 L66 E67 L106A59-R63 VanDerWaalsContact O-CB 3.22Å; A59-R63 WeakPolarHBondContact O-CB 3.41Å; A59-R63 PolarHBondContact O-N 3.49Å; V61-R63 VanDerWaalsContact C-N 3.29Å; V61-R63 PolarHBondContact O-N 3.39Å; R63-L65 VanDerWaalsContact C-N 3.3Å; R63-L65 PolarHBondContact O-N 3.46Å; R63-L66 PolarHBondContact O-N 2.89Å; R63-E67 WeakPolarHBondContact CD-OE2 3.42Å; R63-E67 HydrophobicContact CG-CG 4Å; R63-E67 WeakPolarHBondContact CG-OE1 3.36Å; R63-E67 VanDerWaalsContact CG-OE2 3.23Å; R63-E67 WeakPolarHBondContact CG-OE2 3.43Å; R63-E67 IonicContact CZ-OE1 3.92Å; R63-E67 IonicContact NH1-OE1 2.9Å; R63-E67 PolarHBondContact NH1-OE1 2.95Å; R63-E67 WeakPolarHBondContact O-CB 3.39Å; R63-E67 PolarHBondContact O-N 3.48Å; R63-L106 HydrophobicContact CB-CD1 4.19Å
64L98.2Very high97.2Very high22 Ų2259.8 Ų59.812%0.11527%0.273CS..Iπ-helixtrans-55.2-47.4177.4176.967.7000111.3V17 L20 A21 K60 V61 V62 H68 Y69V17-L64 HydrophobicContact CG2-CB 4.13Å; V17-L64 HydrophobicContact CG2-CD2 3.73Å; V17-L64 HydrophobicContact CG2-CG 4.48Å; L20-L64 HydrophobicContact CD2-CD2 4.17Å; L20-L64 HydrophobicContact CG-CD2 4.31Å; A21-L64 HydrophobicContact CB-CD2 4.13Å; K60-L64 WeakPolarHBondContact O-CB 3.22Å; K60-L64 PolarHBondContact O-N 3.47Å; V61-L64 WeakPolarHBondContact O-CB 3.33Å; V61-L64 PolarHBondContact O-N 3.17Å; V61-L64 VanDerWaalsContact O-N 3.14Å; V62-L64 PolarHBondContact O-N 3.37Å; L64-H68 HydrophobicContact CD1-CB 4.06Å; L64-H68 WeakPolarHBondContact O-CB 3.45Å; L64-H68 PolarHBondContact O-N 3.27Å; L64-H68 VanDerWaalsContact O-N 3.14Å; L64-Y69 HydrophobicContact CD1-CD2 4.42Å; L64-Y69 HydrophobicContact CD1-CE2 3.89Å; L64-Y69 HydrophobicContact CD2-CE2 4.14Å; L64-Y69 HydrophobicContact CG-CD2 4.11Å; L64-Y69 HydrophobicContact CG-CE2 3.77Å; L64-Y69 WeakPolarHBondContact O-CD2 3.22Å; L64-Y69 PolarHBondContact O-N 3Å
65L98.4Very high97.1Very high0 Ų061.4 Ų61.40%028%0.281CS..Iπ-helixtrans-64.5-39.6-179-67.6179000112.7L20 L36 P49 L50 V61 V62 R63 Y69 R70 V71L20-L65 HydrophobicContact CD2-CD2 4.01Å; L20-L65 HydrophobicContact CD2-CG 4.32Å; L36-L65 HydrophobicContact CD1-CD2 4.02Å; L36-L65 HydrophobicContact CD2-CD2 3.49Å; L36-L65 VanDerWaalsContact CD2-CD2 3.49Å; L36-L65 HydrophobicContact CG-CD2 4.38Å; P49-L65 HydrophobicContact CB-CD1 4.41Å; L50-L65 HydrophobicContact CB-CD1 4.15Å; L50-L65 HydrophobicContact CD1-CB 4.32Å; L50-L65 HydrophobicContact CD1-CD1 4.18Å; V61-L65 HydrophobicContact CG1-CD1 3.94Å; V61-L65 HydrophobicContact CG1-CG 4.28Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.3Å; V61-L65 PolarHBondContact O-N 2.92Å; V62-L65 PolarHBondContact O-N 3.06Å; R63-L65 VanDerWaalsContact C-N 3.3Å; R63-L65 PolarHBondContact O-N 3.46Å; L65-Y69 HydrophobicContact CD2-CD2 4.35Å; L65-Y69 CarbonylContact O-C 3.39Å; L65-R70 PolarHBondContact O-N 3.05Å; L65-R70 VanDerWaalsContact O-N 3.08Å; L65-V71 HydrophobicContact CB-CG2 4.08Å; L65-V71 HydrophobicContact CD2-CG2 4.32Å; L65-V71 WeakPolarHBondContact O-CG2 3.18Å; L65-V71 PolarHBondContact O-N 3.47Å; L65-V71 VanDerWaalsContact O-N 3.11Å
66L98.2Very high97.1Very high6 Ų661.6 Ų61.63%0.03129%0.289CS..Iπ-helixtrans-81-50.4-178-63.1174000112.6L50 V62 R63 R70 T73 L106 L107 H110L50-L66 HydrophobicContact CD1-CD2 4.23Å; L50-L66 HydrophobicContact CD1-CG 4.39Å; L50-L66 HydrophobicContact CD2-CD2 4.18Å; V62-L66 HydrophobicContact CG1-CD1 3.61Å; V62-L66 HydrophobicContact CG1-CG 4.24Å; V62-L66 VanDerWaalsContact O-CG 3.28Å; V62-L66 WeakPolarHBondContact O-CG 3.48Å; V62-L66 PolarHBondContact O-N 3.31Å; R63-L66 PolarHBondContact O-N 2.89Å; L66-R70 VanDerWaalsContact O-CA 3.28Å; L66-R70 WeakPolarHBondContact O-CA 3.33Å; L66-R70 PolarHBondContact O-N 3.28Å; L66-T73 HydrophobicContact CD2-CG2 3.48Å; L66-T73 VanDerWaalsContact CD2-CG2 3.48Å; L66-L106 HydrophobicContact CD1-CB 4.29Å; L66-L107 HydrophobicContact CD1-CD2 4.02Å; L66-L107 HydrophobicContact CD1-CG 4.5Å; L66-L107 HydrophobicContact CD2-CD2 4.45Å; L66-H110 HydrophobicContact CB-CB 4.34Å; L66-H110 HydrophobicContact CD1-CB 4.07Å; L66-H110 HydrophobicContact CD2-CB 4.32Å; L66-H110 HydrophobicContact CG-CB 4.48Å
67E97.4Very high97Very high85 Ų8559.3 Ų59.340%0.39728%0.278SS..Iπ-helixtrans-77.9-41.9-172-67.6177-169.900112.1R63 H110R63-E67 WeakPolarHBondContact CD-OE2 3.42Å; R63-E67 HydrophobicContact CG-CG 4Å; R63-E67 WeakPolarHBondContact CG-OE1 3.36Å; R63-E67 VanDerWaalsContact CG-OE2 3.23Å; R63-E67 WeakPolarHBondContact CG-OE2 3.43Å; R63-E67 IonicContact CZ-OE1 3.92Å; R63-E67 IonicContact NH1-OE1 2.9Å; R63-E67 PolarHBondContact NH1-OE1 2.95Å; R63-E67 WeakPolarHBondContact O-CB 3.39Å; R63-E67 PolarHBondContact O-N 3.48Å; E67-H110 VanDerWaalsContact CG-NE2 3.3Å; E67-H110 WeakPolarHBondContact CG-NE2 3.32Å
68H95.3Very high96.9Very high136 Ų13659.2 Ų59.263%0.6327%0.272SS*.Iπ-helixtrans-93.1-40.4-177.2-66.4-89.2000113.3L64L64-H68 HydrophobicContact CD1-CB 4.06Å; L64-H68 WeakPolarHBondContact O-CB 3.45Å; L64-H68 PolarHBondContact O-N 3.27Å; L64-H68 VanDerWaalsContact O-N 3.14Å
69Y96.2Very high96.6Very high60 Ų6056.7 Ų56.724%0.23526%0.26CS..THydrogen-bonded Turntrans-102.8-5-175.2-62-69000114.5L24 I32 L36 L64 L65 V71L24-Y69 HydrophobicContact CB-CE1 4.11Å; L24-Y69 WeakPolarHBondContact CB-OH 3.44Å; L24-Y69 HydrophobicContact CD1-CD2 4.06Å; L24-Y69 HydrophobicContact CD1-CE1 4.11Å; L24-Y69 HydrophobicContact CD1-CE2 3.56Å; I32-Y69 HydrophobicContact CD1-CD1 4.42Å; I32-Y69 HydrophobicContact CD1-CE1 4.16Å; I32-Y69 HydrophobicContact CG2-CD1 3.72Å; I32-Y69 HydrophobicContact CG2-CE1 4.26Å; I32-Y69 HydrophobicContact CG2-CG 4.42Å; L36-Y69 HydrophobicContact CD1-CD1 4.49Å; L36-Y69 HydrophobicContact CD1-CD2 4.44Å; L36-Y69 HydrophobicContact CD1-CG 3.98Å; L64-Y69 HydrophobicContact CD1-CD2 4.42Å; L64-Y69 HydrophobicContact CD1-CE2 3.89Å; L64-Y69 HydrophobicContact CD2-CE2 4.14Å; L64-Y69 HydrophobicContact CG-CD2 4.11Å; L64-Y69 HydrophobicContact CG-CE2 3.77Å; L64-Y69 WeakPolarHBondContact O-CD2 3.22Å; L64-Y69 PolarHBondContact O-N 3Å; L65-Y69 HydrophobicContact CD2-CD2 4.35Å; L65-Y69 CarbonylContact O-C 3.39Å; Y69-V71 PolarHBondContact O-N 3.44Å
70R94.1Very high96.2Very high215 Ų21560 Ų6081%0.81127%0.267SS*.  trans50.541.8176.3-56.8-178-180-177.1-0.2113.3L65 L66L65-R70 PolarHBondContact O-N 3.05Å; L65-R70 VanDerWaalsContact O-N 3.08Å; L66-R70 VanDerWaalsContact O-CA 3.28Å; L66-R70 WeakPolarHBondContact O-CA 3.33Å; L66-R70 PolarHBondContact O-N 3.28Å
71V95.3Very high95.7Very high16 Ų1654 Ų5410%0.09724%0.241CC..  trans-62.4138.4179.3178.70000110.5L36 L50 L65 Y69 T73L36-V71 HydrophobicContact CB-CG2 3.98Å; L36-V71 HydrophobicContact CD1-CG2 3.5Å; L36-V71 HydrophobicContact CG-CG2 4.26Å; L50-V71 HydrophobicContact CB-CG1 4.17Å; L50-V71 HydrophobicContact CD2-CB 4.45Å; L50-V71 HydrophobicContact CD2-CG1 3.87Å; L65-V71 HydrophobicContact CB-CG2 4.08Å; L65-V71 HydrophobicContact CD2-CG2 4.32Å; L65-V71 WeakPolarHBondContact O-CG2 3.18Å; L65-V71 PolarHBondContact O-N 3.47Å; L65-V71 VanDerWaalsContact O-N 3.11Å; Y69-V71 PolarHBondContact O-N 3.44Å; V71-T73 PolarHBondContact O-N 3.47Å
72Q94.4Very high94.8Very high144 Ų14460 Ų6067%0.67327%0.273SS*.  trans-63.6126.8177.4-65.6178.16.500111.1Q74 Q75Q72-Q74 VanDerWaalsContact C-N 3.31Å; Q72-Q74 PolarHBondContact O-N 3.38Å; Q72-Q75 HydrophobicContact CB-CG 4.44Å; Q72-Q75 WeakPolarHBondContact O-CG 3.44Å
73T96.1Very high94Very high8 Ų863.1 Ų63.15%0.04931%0.306CS..THydrogen-bonded Turntrans-78.5-13.8-17747.20000113.6L66 V71 L107 H110 A112L66-T73 HydrophobicContact CD2-CG2 3.48Å; L66-T73 VanDerWaalsContact CD2-CG2 3.48Å; V71-T73 PolarHBondContact O-N 3.47Å; T73-L107 HydrophobicContact CG2-CD2 4.17Å; T73-H110 HydrophobicContact CG2-CB 4.43Å; T73-A112 HydrophobicContact CG2-CB 4.37Å
74Q95.1Very high93.4Very high82 Ų8266 Ų6638%0.38332%0.317SS..THydrogen-bonded Turntrans-90.35.1-176.8-74.262.559.400114.1Q72 T76 G111Q72-Q74 VanDerWaalsContact C-N 3.31Å; Q72-Q74 PolarHBondContact O-N 3.38Å; Q74-T76 PolarHBondContact O-N 2.92Å; Q74-G111 PolarHBondContact NE2-O 3.3Å
75Q95.5Very high93Very high33 Ų3368.6 Ų68.615%0.15433%0.334CS..  trans-56.8136.3173.5-66.3174.8-6.300110.3L36 T48 I51 Q72 T90L36-Q75 PolarHBondContact O-NE2 3.27Å; T48-Q75 HydrophobicContact CG2-CB 4.38Å; T48-Q75 PolarHBondContact OG1-OE1 3.35Å; I51-Q75 HydrophobicContact CD1-CB 4.34Å; Q72-Q75 HydrophobicContact CB-CG 4.44Å; Q72-Q75 WeakPolarHBondContact O-CG 3.44Å; Q75-T90 WeakPolarHBondContact O-CA 3.49Å
76T96.5Very high92.8Very high64 Ų6469.7 Ų69.739%0.39334%0.34SS..EExtended strand (participates in β ladder)trans-114.2150177.355.30000111Q74 G88 A89 T90 H116Q74-T76 PolarHBondContact O-N 2.92Å; T76-G88 WeakPolarHBondContact CG2-O 3.41Å; T76-A89 CarbonylContact C-O 3.59Å; T76-A89 WeakPolarHBondContact CA-O 3.33Å; T76-T90 HydrophobicContact CG2-CG2 3.98Å; T76-H116 WeakPolarHBondContact CG2-NE2 3.49Å
77G94.8Very high92.6Very high5 Ų573.2 Ų73.25%0.05236%0.359CS..EExtended strand (participates in β ladder)trans-142.3175.917400000112.3R46 G88 A89R46-G77 CarbonylContact O-C 3.49Å; R46-G77 WeakPolarHBondContact O-CA 3.33Å; G77-G88 PolarHBondContact O-N 3.05Å; G77-A89 PolarHBondContact N-O 2.92Å; G77-A89 PolarHBondContact O-N 3.28Å
78T96.3Very high92.6Very high21 Ų2169.6 Ų69.613%0.12935%0.345CS..EExtended strand (participates in β ladder)trans-101.6110.5171.8-43.10000108.2Q45 R46 V85 I86 D87Q45-T78 CarbonylContact C-O 3.59Å; Q45-T78 VanDerWaalsContact CA-O 3.28Å; Q45-T78 WeakPolarHBondContact CA-O 3.42Å; Q45-T78 WeakPolarHBondContact CB-O 3.23Å; R46-T78 PolarHBondContact N-O 3.25Å; R46-T78 PolarHBondContact O-N 3.31Å; T78-V85 HydrophobicContact CG2-CG1 3.43Å; T78-V85 VanDerWaalsContact CG2-CG1 3.43Å; T78-I86 CarbonylContact C-O 3.59Å; T78-I86 VanDerWaalsContact CA-O 3.32Å; T78-I86 WeakPolarHBondContact CA-O 3.23Å; T78-D87 HydrophobicContact CG2-CB 4.31Å; T78-D87 PolarHBondContact OG1-OD1 2.97Å
79V94Very high92.7Very high0 Ų063.1 Ų63.10%032%0.315CS..EExtended strand (participates in β ladder)trans-116165.3-174.1-60.60000111.5I51 F81 I86 A89 W93I51-V79 HydrophobicContact CG2-CG1 3.92Å; V79-F81 HydrophobicContact CB-CE2 4.44Å; V79-F81 HydrophobicContact CG2-CD2 3.98Å; V79-F81 HydrophobicContact CG2-CE2 3.94Å; V79-I86 HydrophobicContact CG2-CB 4.03Å; V79-I86 HydrophobicContact CG2-CD1 4.4Å; V79-I86 PolarHBondContact N-O 3.39Å; V79-I86 PolarHBondContact O-N 2.9Å; V79-A89 HydrophobicContact CG1-CB 4.34Å; V79-A89 HydrophobicContact CG2-CB 3.51Å; V79-W93 HydrophobicContact CG2-CE3 4.49Å; V79-W93 HydrophobicContact CG2-CZ3 4.14Å
80R90.2Very high92.8Very high98 Ų9860.5 Ų60.537%0.3731%0.305SS..EExtended strand (participates in β ladder)trans-119129.6174.4-71.9-179.9-167.9-106.21112G44 Q45 R55 Y84 V85G44-R80 PolarHBondContact O-NE 2.94Å; G44-R80 PolarHBondContact O-NH2 3.27Å; Q45-R80 HydrophobicContact CG-CB 4.08Å; Q45-R80 HydrophobicContact CG-CG 4.06Å; R55-R80 PolarHBondContact NE-O 3.26Å; R55-R80 PolarHBondContact NH2-O 3.09Å; R80-Y84 WeakPolarHBondContact CA-O 3.37Å; R80-V85 HydrophobicContact CG-CG2 4.05Å; R80-V85 VanDerWaalsContact NH1-CG2 3.27Å
81F87.5Confident93Very high33 Ų3350.3 Ų50.315%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-132129.8172.2-81.9-102.5000108.5R55 V79 G83 Y84 I86 W93 C94 A98R55-F81 HydrophobicContact CG-CE2 4.25Å; R55-F81 HydrophobicContact CG-CZ 4.01Å; V79-F81 HydrophobicContact CB-CE2 4.44Å; V79-F81 HydrophobicContact CG2-CD2 3.98Å; V79-F81 HydrophobicContact CG2-CE2 3.94Å; F81-G83 PolarHBondContact O-N 3.23Å; F81-Y84 PolarHBondContact N-O 3.44Å; F81-Y84 WeakPolarHBondContact O-CA 3.31Å; F81-Y84 WeakPolarHBondContact O-CB 3.44Å; F81-Y84 WeakPolarHBondContact O-CD2 3.29Å; F81-Y84 PolarHBondContact O-N 3.36Å; F81-I86 HydrophobicContact CB-CD1 3.72Å; F81-I86 HydrophobicContact CD2-CD1 3.86Å; F81-I86 HydrophobicContact CG-CD1 4.17Å; F81-W93 HydrophobicContact CD2-CH2 4.27Å; F81-W93 AromaticContact CD2-CZ3 3.7Å; F81-W93 HydrophobicContact CD2-CZ3 3.7Å; F81-W93 HydrophobicContact CE2-CE3 4.39Å; F81-W93 AromaticContact CE2-CZ3 3.65Å; F81-W93 HydrophobicContact CE2-CZ3 3.65Å; F81-W93 HydrophobicContact CG-CZ3 4.38Å; F81-W93 HydrophobicContact CZ-CZ3 4.3Å; F81-C94 HydrophobicContact CE2-CB 4.44Å; F81-C94 HydrophobicContact CZ-CB 4.34Å; F81-A98 HydrophobicContact CE1-CB 3.92Å; F81-A98 HydrophobicContact CZ-CB 4.2Å
82D79.7Confident93.2Very high127 Ų12749.6 Ų49.668%0.67926%0.262SS*.THydrogen-bonded Turntrans47.436.9177.7-54.1-24.8000114.7Y84D82-Y84 VanDerWaalsContact C-N 3.29Å; D82-Y84 HydrophobicContact CB-CD2 4.21Å; D82-Y84 HydrophobicContact CB-CE2 4.41Å; D82-Y84 WeakPolarHBondContact O-CD2 3.4Å; D82-Y84 WeakPolarHBondContact O-CE2 3.25Å; D82-Y84 PolarHBondContact O-N 3.47Å
83G81.1Confident93.4Very high66 Ų6643.5 Ų43.568%0.6823%0.233SC*.THydrogen-bonded Turntrans85.7-16.6-176.900000115.3F81F81-G83 PolarHBondContact O-N 3.23Å
84Y86Confident93.5Very high164 Ų16443.1 Ų43.164%0.64323%0.231SC*.EExtended strand (participates in β ladder)trans-79.2138.1178-58.4-82.3000112.1R80 F81 D82R80-Y84 WeakPolarHBondContact CA-O 3.37Å; F81-Y84 PolarHBondContact N-O 3.44Å; F81-Y84 WeakPolarHBondContact O-CA 3.31Å; F81-Y84 WeakPolarHBondContact O-CB 3.44Å; F81-Y84 WeakPolarHBondContact O-CD2 3.29Å; F81-Y84 PolarHBondContact O-N 3.36Å; D82-Y84 VanDerWaalsContact C-N 3.29Å; D82-Y84 HydrophobicContact CB-CD2 4.21Å; D82-Y84 HydrophobicContact CB-CE2 4.41Å; D82-Y84 WeakPolarHBondContact O-CD2 3.4Å; D82-Y84 WeakPolarHBondContact O-CE2 3.25Å; D82-Y84 PolarHBondContact O-N 3.47Å
85V90.6Very high93.7Very high78 Ų7839.2 Ų39.247%0.47321%0.213SC..EExtended strand (participates in β ladder)trans-90.9122170.7-176.90000108.8T78 R80T78-V85 HydrophobicContact CG2-CG1 3.43Å; T78-V85 VanDerWaalsContact CG2-CG1 3.43Å; R80-V85 HydrophobicContact CG-CG2 4.05Å; R80-V85 VanDerWaalsContact NH1-CG2 3.27Å
86I93.7Very high93.8Very high23 Ų2337.7 Ų37.712%0.11821%0.205CC..EExtended strand (participates in β ladder)trans-114.8119.2179.2-60.2122.5000108.7T78 V79 F81 A89 W93 T118T78-I86 CarbonylContact C-O 3.59Å; T78-I86 VanDerWaalsContact CA-O 3.32Å; T78-I86 WeakPolarHBondContact CA-O 3.23Å; V79-I86 HydrophobicContact CG2-CB 4.03Å; V79-I86 HydrophobicContact CG2-CD1 4.4Å; V79-I86 PolarHBondContact N-O 3.39Å; V79-I86 PolarHBondContact O-N 2.9Å; F81-I86 HydrophobicContact CB-CD1 3.72Å; F81-I86 HydrophobicContact CD2-CD1 3.86Å; F81-I86 HydrophobicContact CG-CD1 4.17Å; I86-A89 HydrophobicContact CG2-CB 4.11Å; I86-W93 HydrophobicContact CB-CH2 4.27Å; I86-W93 HydrophobicContact CB-CZ3 4.46Å; I86-W93 HydrophobicContact CD1-CH2 3.43Å; I86-W93 VanDerWaalsContact CD1-CH2 3.43Å; I86-W93 HydrophobicContact CD1-CZ2 4.41Å; I86-W93 HydrophobicContact CD1-CZ3 3.86Å; I86-W93 HydrophobicContact CG1-CH2 3.85Å; I86-W93 HydrophobicContact CG1-CZ2 4.42Å; I86-W93 HydrophobicContact CG1-CZ3 4.43Å; I86-W93 HydrophobicContact CG2-CH2 3.95Å; I86-W93 HydrophobicContact CG2-CZ2 4.05Å; I86-W93 HydrophobicContact CG2-CZ3 4.19Å; I86-T118 HydrophobicContact CG2-CG2 3.41Å; I86-T118 VanDerWaalsContact CG2-CG2 3.41Å
87D95.1Very high93.8Very high79 Ų7935.1 Ų35.142%0.42219%0.191SC..EExtended strand (participates in β ladder)trans-100.4147.3177.8-160.825.7000112.4T78 A89 T118 V119T78-D87 HydrophobicContact CG2-CB 4.31Å; T78-D87 PolarHBondContact OG1-OD1 2.97Å; D87-A89 VanDerWaalsContact C-N 3.35Å; D87-T118 WeakPolarHBondContact O-CA 3.47Å; D87-T118 VanDerWaalsContact O-CB 3.23Å; D87-T118 WeakPolarHBondContact O-CB 3.37Å; D87-V119 HydrophobicContact CB-CB 4.47Å; D87-V119 HydrophobicContact CB-CG2 4.04Å; D87-V119 PolarHBondContact O-N 3.41Å
88G96.5Very high93.9Very high10 Ų1036.3 Ų36.310%0.10320%0.201CC..EExtended strand (participates in β ladder)trans76.417.4-174.700000114.4T76 G77T76-G88 WeakPolarHBondContact CG2-O 3.41Å; G77-G88 PolarHBondContact O-N 3.05Å
89A97.8Very high94Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-75.5129-178.600000111.6T76 G77 V79 I86 D87 W93 T118T76-A89 CarbonylContact C-O 3.59Å; T76-A89 WeakPolarHBondContact CA-O 3.33Å; G77-A89 PolarHBondContact N-O 2.92Å; G77-A89 PolarHBondContact O-N 3.28Å; V79-A89 HydrophobicContact CG1-CB 4.34Å; V79-A89 HydrophobicContact CG2-CB 3.51Å; I86-A89 HydrophobicContact CG2-CB 4.11Å; D87-A89 VanDerWaalsContact C-N 3.35Å; A89-W93 HydrophobicContact CB-CD2 4.22Å; A89-W93 HydrophobicContact CB-CE3 3.8Å; A89-W93 HydrophobicContact CB-CZ3 4.45Å; A89-T118 HydrophobicContact CB-CG2 4.42Å
90T98.6Very high94.2Very high4 Ų438.5 Ų38.53%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-85.1167.8172.661.90000112Q75 T76 L92 W93 C94 H116Q75-T90 WeakPolarHBondContact O-CA 3.49Å; T76-T90 HydrophobicContact CG2-CG2 3.98Å; T90-L92 PolarHBondContact O-N 2.99Å; T90-W93 PolarHBondContact O-N 3.44Å; T90-W93 PolarHBondContact OG1-N 2.83Å; T90-W93 VanDerWaalsContact OG1-N 3.12Å; T90-C94 PolarHBondContact O-N 3.4Å; T90-C94 PolarHBondContact O-SG 3.35Å; T90-H116 HydrophobicContact CG2-CB 4.11Å; T90-H116 WeakPolarHBondContact CG2-ND1 3.45Å
91A98.7Very high94.6Very high1 Ų136.3 Ų36.31%0.00821%0.206CC..Hα-helixtrans-57.1-37.7170.800000112L50 I51 A54 C94 A95 L107L50-A91 HydrophobicContact CD2-CB 4.23Å; L50-A91 HydrophobicContact CG-CB 3.87Å; I51-A91 HydrophobicContact CG1-CB 4.24Å; A54-A91 HydrophobicContact CB-CB 3.79Å; A54-A91 WeakPolarHBondContact CB-O 3.39Å; A91-C94 PolarHBondContact O-N 2.95Å; A91-A95 WeakPolarHBondContact O-CB 3.49Å; A91-A95 PolarHBondContact O-N 3.23Å; A91-L107 HydrophobicContact CB-CD1 4.01Å; A91-L107 HydrophobicContact CB-CD2 3.96Å
92L98.9Very high95.2Very high1 Ų139.7 Ų39.71%0.00522%0.222CC..Hα-helixtrans-68.1-43.2177.9179.760.7000111.5T90 C94 A95 A96 V104 L107 V108 A112 V114 P124 L140T90-L92 PolarHBondContact O-N 2.99Å; L92-C94 VanDerWaalsContact C-N 3.32Å; L92-C94 PolarHBondContact O-N 3.43Å; L92-A95 PolarHBondContact O-N 3.18Å; L92-A96 VanDerWaalsContact O-CB 3.29Å; L92-A96 WeakPolarHBondContact O-CB 3.46Å; L92-A96 PolarHBondContact O-N 3.45Å; L92-V104 HydrophobicContact CD1-CB 4.32Å; L92-V104 HydrophobicContact CD1-CG1 3.93Å; L92-V104 HydrophobicContact CD1-CG2 4.3Å; L92-L107 HydrophobicContact CB-CB 4.47Å; L92-L107 HydrophobicContact CB-CD1 4.22Å; L92-L107 HydrophobicContact CD1-CB 4.15Å; L92-L107 HydrophobicContact CD1-CD1 4.43Å; L92-V108 HydrophobicContact CD1-CG2 3.92Å; L92-V108 HydrophobicContact CD2-CG2 4.12Å; L92-A112 HydrophobicContact CB-CB 4.18Å; L92-A112 HydrophobicContact CD2-CB 3.87Å; L92-V114 HydrophobicContact CD2-CB 4.44Å; L92-V114 HydrophobicContact CD2-CG1 4.12Å; L92-P124 HydrophobicContact CB-CG 4.45Å; L92-P124 HydrophobicContact CD2-CB 4.32Å; L92-P124 HydrophobicContact CD2-CG 4.04Å; L92-P124 HydrophobicContact CG-CB 3.94Å; L92-P124 HydrophobicContact CG-CG 3.93Å; L92-L140 HydrophobicContact CD1-CD2 4.32Å; L92-L140 HydrophobicContact CD2-CD2 4.44Å
93W98.6Very high96.1Very high17 Ų1733.8 Ų33.86%0.06419%0.19CC..Hα-helixtrans-58.2-46.3174.7-17098.6000111.2V79 F81 I86 A89 T90 A96 G97 T118 S122 T123 P124 A127V79-W93 HydrophobicContact CG2-CE3 4.49Å; V79-W93 HydrophobicContact CG2-CZ3 4.14Å; F81-W93 HydrophobicContact CD2-CH2 4.27Å; F81-W93 AromaticContact CD2-CZ3 3.7Å; F81-W93 HydrophobicContact CD2-CZ3 3.7Å; F81-W93 HydrophobicContact CE2-CE3 4.39Å; F81-W93 AromaticContact CE2-CZ3 3.65Å; F81-W93 HydrophobicContact CE2-CZ3 3.65Å; F81-W93 HydrophobicContact CG-CZ3 4.38Å; F81-W93 HydrophobicContact CZ-CZ3 4.3Å; I86-W93 HydrophobicContact CB-CH2 4.27Å; I86-W93 HydrophobicContact CB-CZ3 4.46Å; I86-W93 HydrophobicContact CD1-CH2 3.43Å; I86-W93 VanDerWaalsContact CD1-CH2 3.43Å; I86-W93 HydrophobicContact CD1-CZ2 4.41Å; I86-W93 HydrophobicContact CD1-CZ3 3.86Å; I86-W93 HydrophobicContact CG1-CH2 3.85Å; I86-W93 HydrophobicContact CG1-CZ2 4.42Å; I86-W93 HydrophobicContact CG1-CZ3 4.43Å; I86-W93 HydrophobicContact CG2-CH2 3.95Å; I86-W93 HydrophobicContact CG2-CZ2 4.05Å; I86-W93 HydrophobicContact CG2-CZ3 4.19Å; A89-W93 HydrophobicContact CB-CD2 4.22Å; A89-W93 HydrophobicContact CB-CE3 3.8Å; A89-W93 HydrophobicContact CB-CZ3 4.45Å; T90-W93 PolarHBondContact O-N 3.44Å; T90-W93 PolarHBondContact OG1-N 2.83Å; T90-W93 VanDerWaalsContact OG1-N 3.12Å; W93-A96 PolarHBondContact O-N 3.32Å; W93-G97 PolarHBondContact O-N 3.2Å; W93-T118 HydrophobicContact CD2-CG2 4.1Å; W93-T118 HydrophobicContact CG-CG2 4.16Å; W93-T118 HydrophobicContact CZ2-CG2 4.38Å; W93-S122 PolarHBondContact NE1-O 2.79Å; W93-S122 PolarHBondContact NE1-OG 3.22Å; W93-T123 VanDerWaalsContact CD1-C 3.49Å; W93-T123 PolarHBondContact NE1-O 2.82Å; W93-P124 HydrophobicContact CB-CG 4.25Å; W93-A127 HydrophobicContact CD2-CB 4.18Å; W93-A127 HydrophobicContact CG-CB 4.49Å; W93-A127 HydrophobicContact CZ2-CB 3.93Å
94C98.4Very high96.9Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-65.2-43.8179.5-62.90000112.6R55 F81 T90 A91 L92 A96 A98R55-C94 HydrophobicContact CB-CB 3.87Å; R55-C94 HydrophobicContact CG-CB 4.48Å; F81-C94 HydrophobicContact CE2-CB 4.44Å; F81-C94 HydrophobicContact CZ-CB 4.34Å; T90-C94 PolarHBondContact O-N 3.4Å; T90-C94 PolarHBondContact O-SG 3.35Å; A91-C94 PolarHBondContact O-N 2.95Å; L92-C94 VanDerWaalsContact C-N 3.32Å; L92-C94 PolarHBondContact O-N 3.43Å; C94-A96 VanDerWaalsContact C-N 3.32Å; C94-A96 PolarHBondContact O-N 2.88Å; C94-A98 VanDerWaalsContact O-CB 3.24Å; C94-A98 WeakPolarHBondContact O-CB 3.44Å; C94-A98 PolarHBondContact O-N 3.28Å
95A98.8Very high97.5Very high0 Ų025.6 Ų25.60%014%0.139CC..Hα-helixtrans-64.6-3817800000112.1A54 A91 L92 G99 H100 V103 V104 L107A54-A95 HydrophobicContact CB-CB 4.34Å; A91-A95 WeakPolarHBondContact O-CB 3.49Å; A91-A95 PolarHBondContact O-N 3.23Å; L92-A95 PolarHBondContact O-N 3.18Å; A95-G99 PolarHBondContact O-N 2.93Å; A95-H100 HydrophobicContact CB-CB 4.47Å; A95-H100 PolarHBondContact O-N 3.46Å; A95-V103 HydrophobicContact CB-CB 4Å; A95-V103 HydrophobicContact CB-CG1 3.49Å; A95-V103 VanDerWaalsContact CB-CG1 3.49Å; A95-V104 HydrophobicContact CB-CG2 3.88Å; A95-L107 HydrophobicContact CB-CD1 4.13Å
96A98.7Very high97.9Very high0 Ų022.5 Ų22.50%012%0.12CC..Hα-helixtrans-68.5-46.5177.500000112L92 W93 C94 A98 G99 V104 P124 A128 I136 L140L92-A96 VanDerWaalsContact O-CB 3.29Å; L92-A96 WeakPolarHBondContact O-CB 3.46Å; L92-A96 PolarHBondContact O-N 3.45Å; W93-A96 PolarHBondContact O-N 3.32Å; C94-A96 VanDerWaalsContact C-N 3.32Å; C94-A96 PolarHBondContact O-N 2.88Å; A96-A98 VanDerWaalsContact C-N 3.27Å; A96-A98 PolarHBondContact O-N 3.49Å; A96-G99 PolarHBondContact O-N 2.89Å; A96-V104 HydrophobicContact CB-CG2 4.32Å; A96-P124 HydrophobicContact CB-CB 4.11Å; A96-P124 WeakPolarHBondContact CB-O 3.33Å; A96-A128 HydrophobicContact CB-CB 4.29Å; A96-I136 HydrophobicContact CB-CG2 4.08Å; A96-L140 HydrophobicContact CB-CD1 4.36Å
97G96.8Very high98.2Very high10 Ų1021.4 Ų21.410%0.10311%0.114CC..Hα-helixtrans-71.2-16.4177.600000114.9W93W93-G97 PolarHBondContact O-N 3.2Å
98A97Very high98.3Very high30 Ų3018.5 Ų18.525%0.24810%0.099CC..THydrogen-bonded Turntrans-100.83.1174.100000113.3R55 F81 C94 A96 H100R55-A98 WeakPolarHBondContact O-CB 3.26Å; F81-A98 HydrophobicContact CE1-CB 3.92Å; F81-A98 HydrophobicContact CZ-CB 4.2Å; C94-A98 VanDerWaalsContact O-CB 3.24Å; C94-A98 WeakPolarHBondContact O-CB 3.44Å; C94-A98 PolarHBondContact O-N 3.28Å; A96-A98 VanDerWaalsContact C-N 3.27Å; A96-A98 PolarHBondContact O-N 3.49Å; A98-H100 PolarHBondContact O-N 3.37Å
99G97.7Very high98.4Very high10 Ų1021.8 Ų21.810%0.10312%0.121CC..THydrogen-bonded Turntrans70.724.1177.200000116.2A95 A96 F101A95-G99 PolarHBondContact O-N 2.93Å; A96-G99 PolarHBondContact O-N 2.89Å; G99-F101 PolarHBondContact O-N 2.9Å
100H98.6Very high98.4Very high57 Ų5724.9 Ų24.926%0.26414%0.135SC..  trans-90.676.6-176.8-62.7-40.1000113A54 R55 G57 A95 A98 E102 V103 V104A54-H100 PolarHBondContact O-CD2 2.84Å; R55-H100 PolarHBondContact O-CD2 2.93Å; R55-H100 PolarHBondContact O-NE2 3.45Å; R55-H100 VanDerWaalsContact O-NE2 3.11Å; G57-H100 WeakPolarHBondContact CA-CD2 3.3Å; G57-H100 VanDerWaalsContact CA-CG 3.42Å; G57-H100 WeakPolarHBondContact CA-NE2 3.38Å; G57-H100 PolarHBondContact N-CD2 3.45Å; G57-H100 PolarHBondContact N-NE2 2.68Å; A95-H100 HydrophobicContact CB-CB 4.47Å; A95-H100 PolarHBondContact O-N 3.46Å; A98-H100 PolarHBondContact O-N 3.37Å; H100-E102 PolarHBondContact O-N 2.76Å; H100-V103 HydrophobicContact CB-CB 4.03Å; H100-V103 HydrophobicContact CB-CG2 4.13Å; H100-V103 WeakPolarHBondContact O-CB 3.25Å; H100-V103 PolarHBondContact O-N 3.33Å; H100-V104 PolarHBondContact O-N 3.24Å
101F98.8Very high98.4Very high53 Ų5327.2 Ų27.223%0.23216%0.16CC..Hα-helixtrans-55.8-42.7-173.4-176.1-130.3000115.1G99 V103 V104 K105 I136 Y139G99-F101 PolarHBondContact O-N 2.9Å; F101-V103 VanDerWaalsContact C-N 3.28Å; F101-V103 PolarHBondContact O-N 3.4Å; F101-V104 WeakPolarHBondContact O-CB 3.43Å; F101-V104 PolarHBondContact O-N 3.4Å; F101-K105 HydrophobicContact CD1-CD 4.39Å; F101-K105 HydrophobicContact CD2-CG 4.41Å; F101-K105 HydrophobicContact CE1-CD 3.85Å; F101-K105 HydrophobicContact CE2-CD 4.18Å; F101-K105 HydrophobicContact CE2-CG 4.02Å; F101-K105 HydrophobicContact CZ-CD 3.73Å; F101-K105 HydrophobicContact CZ-CG 4.09Å; F101-K105 PolarHBondContact O-N 3.31Å; F101-I136 HydrophobicContact CB-CD1 4.36Å; F101-I136 HydrophobicContact CB-CG1 4Å; F101-I136 HydrophobicContact CD2-CG1 3.7Å; F101-I136 HydrophobicContact CG-CG1 4.29Å; F101-Y139 HydrophobicContact CE2-CD1 4.26Å; F101-Y139 HydrophobicContact CE2-CD2 4.3Å; F101-Y139 AromaticContact CE2-CG 3.8Å; F101-Y139 HydrophobicContact CE2-CG 3.8Å; F101-Y139 HydrophobicContact CZ-CD2 4.43Å; F101-Y139 HydrophobicContact CZ-CG 4.36Å
102E98.6Very high98.4Very high104 Ų10427.5 Ų27.549%0.48616%0.163SC..Hα-helixtrans-62.6-36.4177.7-64.6-53.5138.200112.6A59 H100 K105 L106A59-E102 HydrophobicContact CB-CB 4.43Å; H100-E102 PolarHBondContact O-N 2.76Å; E102-K105 VanDerWaalsContact CD-CE 3.44Å; E102-K105 WeakPolarHBondContact OE1-CE 3.39Å; E102-K105 IonicContact OE1-NZ 3.11Å; E102-K105 PolarHBondContact OE1-NZ 3.14Å; E102-K105 WeakPolarHBondContact OE2-CE 3.33Å; E102-K105 IonicContact OE2-NZ 3.66Å; E102-K105 PolarHBondContact OE2-NZ 3.14Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 3.09Å; E102-L106 VanDerWaalsContact O-N 3.11Å
103V98.9Very high98.4Very high2 Ų231.3 Ų31.31%0.01218%0.183CC..Hα-helixtrans-70.4-41.2176.3174.20000110.6A54 A59 V62 A95 H100 F101 K105 L106 L107A54-V103 HydrophobicContact CB-CG1 3.75Å; A59-V103 HydrophobicContact CB-CG2 4.08Å; V62-V103 HydrophobicContact CG1-CG1 4.29Å; V62-V103 HydrophobicContact CG2-CG1 4.06Å; V62-V103 HydrophobicContact CG2-CG2 4.42Å; A95-V103 HydrophobicContact CB-CB 4Å; A95-V103 HydrophobicContact CB-CG1 3.49Å; A95-V103 VanDerWaalsContact CB-CG1 3.49Å; H100-V103 HydrophobicContact CB-CB 4.03Å; H100-V103 HydrophobicContact CB-CG2 4.13Å; H100-V103 WeakPolarHBondContact O-CB 3.25Å; H100-V103 PolarHBondContact O-N 3.33Å; F101-V103 VanDerWaalsContact C-N 3.28Å; F101-V103 PolarHBondContact O-N 3.4Å; V103-K105 VanDerWaalsContact C-N 3.34Å; V103-K105 PolarHBondContact O-N 2.98Å; V103-L106 PolarHBondContact O-N 2.94Å; V103-L107 HydrophobicContact CG1-CD1 3.71Å; V103-L107 HydrophobicContact CG1-CG 4.33Å; V103-L107 WeakPolarHBondContact O-CG 3.18Å; V103-L107 PolarHBondContact O-N 2.94Å
104V98.9Very high98.4Very high0 Ų031 Ų310%018%0.183CC..Hα-helixtrans-55.8-49.6173.9169.80000110.4L92 A95 A96 H100 F101 L106 L107 V108 I136 Y139 L140L92-V104 HydrophobicContact CD1-CB 4.32Å; L92-V104 HydrophobicContact CD1-CG1 3.93Å; L92-V104 HydrophobicContact CD1-CG2 4.3Å; A95-V104 HydrophobicContact CB-CG2 3.88Å; A96-V104 HydrophobicContact CB-CG2 4.32Å; H100-V104 PolarHBondContact O-N 3.24Å; F101-V104 WeakPolarHBondContact O-CB 3.43Å; F101-V104 PolarHBondContact O-N 3.4Å; V104-L106 VanDerWaalsContact C-N 3.35Å; V104-L106 PolarHBondContact O-N 2.85Å; V104-L107 PolarHBondContact O-N 3.12Å; V104-V108 HydrophobicContact CG1-CG2 4.37Å; V104-V108 WeakPolarHBondContact O-CG2 3.26Å; V104-V108 PolarHBondContact O-N 3.49Å; V104-I136 HydrophobicContact CG1-CG2 4.28Å; V104-I136 HydrophobicContact CG2-CD1 4.27Å; V104-I136 HydrophobicContact CG2-CG1 4.25Å; V104-I136 HydrophobicContact CG2-CG2 4.15Å; V104-Y139 HydrophobicContact CG1-CD1 3.88Å; V104-Y139 HydrophobicContact CG1-CE1 4.19Å; V104-L140 HydrophobicContact CG1-CD2 4.08Å; V104-L140 HydrophobicContact CG1-CG 4.43Å
105K98.8Very high98.4Very high59 Ų5933.2 Ų33.226%0.25720%0.195SC..Hα-helixtrans-57.9-45177.4-73.8-174.8-71.8179.90112.5F101 E102 V103 S109 Y139F101-K105 HydrophobicContact CD1-CD 4.39Å; F101-K105 HydrophobicContact CD2-CG 4.41Å; F101-K105 HydrophobicContact CE1-CD 3.85Å; F101-K105 HydrophobicContact CE2-CD 4.18Å; F101-K105 HydrophobicContact CE2-CG 4.02Å; F101-K105 HydrophobicContact CZ-CD 3.73Å; F101-K105 HydrophobicContact CZ-CG 4.09Å; F101-K105 PolarHBondContact O-N 3.31Å; E102-K105 VanDerWaalsContact CD-CE 3.44Å; E102-K105 WeakPolarHBondContact OE1-CE 3.39Å; E102-K105 IonicContact OE1-NZ 3.11Å; E102-K105 PolarHBondContact OE1-NZ 3.14Å; E102-K105 WeakPolarHBondContact OE2-CE 3.33Å; E102-K105 IonicContact OE2-NZ 3.66Å; E102-K105 PolarHBondContact OE2-NZ 3.14Å; V103-K105 VanDerWaalsContact C-N 3.34Å; V103-K105 PolarHBondContact O-N 2.98Å; K105-S109 WeakPolarHBondContact O-CB 3.35Å; K105-S109 PolarHBondContact O-N 3Å; K105-S109 PolarHBondContact O-OG 3.46Å; K105-S109 VanDerWaalsContact O-OG 3.1Å; K105-Y139 HydrophobicContact CB-CE1 4.41Å; K105-Y139 HydrophobicContact CD-CE2 4.49Å; K105-Y139 HydrophobicContact CG-CD1 4.31Å; K105-Y139 HydrophobicContact CG-CD2 4.38Å; K105-Y139 HydrophobicContact CG-CE1 3.87Å; K105-Y139 HydrophobicContact CG-CE2 3.96Å
106L98.7Very high98.3Very high13 Ų1335.5 Ų35.57%0.06821%0.205CC..Hα-helixtrans-61.6-44.8177.4-73.3171000112.1A59 V62 R63 L66 E102 V103 V104 S109 H110A59-L106 HydrophobicContact CB-CD1 4.17Å; V62-L106 HydrophobicContact CG1-CB 4.28Å; V62-L106 HydrophobicContact CG1-CD1 4.39Å; R63-L106 HydrophobicContact CB-CD1 4.19Å; L66-L106 HydrophobicContact CD1-CB 4.29Å; E102-L106 WeakPolarHBondContact O-CG 3.47Å; E102-L106 PolarHBondContact O-N 3.09Å; E102-L106 VanDerWaalsContact O-N 3.11Å; V103-L106 PolarHBondContact O-N 2.94Å; V104-L106 VanDerWaalsContact C-N 3.35Å; V104-L106 PolarHBondContact O-N 2.85Å; L106-S109 PolarHBondContact O-OG 2.8Å; L106-S109 VanDerWaalsContact O-OG 3.04Å; L106-H110 WeakPolarHBondContact O-CB 3.3Å; L106-H110 PolarHBondContact O-N 3.37Å; L106-H110 PolarHBondContact O-ND1 3.3Å
107L98.9Very high98.3Very high0 Ų037.4 Ų37.40%022%0.217CC..Hα-helixtrans-66.8-45.8-178.5-72.1165.2000111.4L50 A54 V62 L66 T73 A91 L92 A95 V103 V104 H110 G111 A112L50-L107 HydrophobicContact CD1-CD2 4.24Å; L50-L107 HydrophobicContact CD2-CD2 4.4Å; A54-L107 HydrophobicContact CB-CD1 4.18Å; V62-L107 HydrophobicContact CG1-CD2 4.35Å; V62-L107 HydrophobicContact CG1-CG 4.36Å; L66-L107 HydrophobicContact CD1-CD2 4.02Å; L66-L107 HydrophobicContact CD1-CG 4.5Å; L66-L107 HydrophobicContact CD2-CD2 4.45Å; T73-L107 HydrophobicContact CG2-CD2 4.17Å; A91-L107 HydrophobicContact CB-CD1 4.01Å; A91-L107 HydrophobicContact CB-CD2 3.96Å; L92-L107 HydrophobicContact CB-CB 4.47Å; L92-L107 HydrophobicContact CB-CD1 4.22Å; L92-L107 HydrophobicContact CD1-CB 4.15Å; L92-L107 HydrophobicContact CD1-CD1 4.43Å; A95-L107 HydrophobicContact CB-CD1 4.13Å; V103-L107 HydrophobicContact CG1-CD1 3.71Å; V103-L107 HydrophobicContact CG1-CG 4.33Å; V103-L107 WeakPolarHBondContact O-CG 3.18Å; V103-L107 PolarHBondContact O-N 2.94Å; V104-L107 PolarHBondContact O-N 3.12Å; L107-H110 CarbonylContact O-C 3.39Å; L107-H110 PolarHBondContact O-N 3.17Å; L107-G111 PolarHBondContact O-N 3.03Å; L107-A112 VanDerWaalsContact C-CB 3.47Å; L107-A112 HydrophobicContact CB-CB 3.9Å; L107-A112 WeakPolarHBondContact O-CB 3.47Å; L107-A112 PolarHBondContact O-N 3.41Å
108V98.8Very high98.3Very high17 Ų1737.1 Ų37.110%0.10321%0.213CC..Hα-helixtrans-64.2-43.2179.1174.60000111.1L92 V104 H110 G111 V114 Y139 L140 N143L92-V108 HydrophobicContact CD1-CG2 3.92Å; L92-V108 HydrophobicContact CD2-CG2 4.12Å; V104-V108 HydrophobicContact CG1-CG2 4.37Å; V104-V108 WeakPolarHBondContact O-CG2 3.26Å; V104-V108 PolarHBondContact O-N 3.49Å; V108-H110 PolarHBondContact O-N 2.74Å; V108-G111 PolarHBondContact O-N 2.88Å; V108-V114 HydrophobicContact CG1-CG1 4.31Å; V108-V114 HydrophobicContact CG2-CG1 3.85Å; V108-Y139 HydrophobicContact CB-CE1 3.9Å; V108-Y139 HydrophobicContact CG1-CE1 4.08Å; V108-Y139 HydrophobicContact CG2-CE1 4.02Å; V108-L140 HydrophobicContact CG2-CD2 4.23Å; V108-N143 HydrophobicContact CG1-CB 3.85Å
109S98.2Very high98.3Very high80 Ų8040.7 Ų40.756%0.55923%0.232SC*.Hα-helixtrans-65.3-19.1176.970.10000113.8K105 L106K105-S109 WeakPolarHBondContact O-CB 3.35Å; K105-S109 PolarHBondContact O-N 3Å; K105-S109 PolarHBondContact O-OG 3.46Å; K105-S109 VanDerWaalsContact O-OG 3.1Å; L106-S109 PolarHBondContact O-OG 2.8Å; L106-S109 VanDerWaalsContact O-OG 3.04Å
110H98.3Very high98.1Very high64 Ų6443.1 Ų43.130%0.29625%0.245SC..THydrogen-bonded Turntrans-103.427174.4-65.575.8000112.7L66 E67 T73 L106 L107 V108L66-H110 HydrophobicContact CB-CB 4.34Å; L66-H110 HydrophobicContact CD1-CB 4.07Å; L66-H110 HydrophobicContact CD2-CB 4.32Å; L66-H110 HydrophobicContact CG-CB 4.48Å; E67-H110 VanDerWaalsContact CG-NE2 3.3Å; E67-H110 WeakPolarHBondContact CG-NE2 3.32Å; T73-H110 HydrophobicContact CG2-CB 4.43Å; L106-H110 WeakPolarHBondContact O-CB 3.3Å; L106-H110 PolarHBondContact O-N 3.37Å; L106-H110 PolarHBondContact O-ND1 3.3Å; L107-H110 CarbonylContact O-C 3.39Å; L107-H110 PolarHBondContact O-N 3.17Å; V108-H110 PolarHBondContact O-N 2.74Å
111G97.2Very high98Very high54 Ų5443.5 Ų43.556%0.55725%0.249SC*.THydrogen-bonded Turntrans79.420.3168.500000115.1Q74 L107 V108 N113Q74-G111 PolarHBondContact NE2-O 3.3Å; L107-G111 PolarHBondContact O-N 3.03Å; V108-G111 PolarHBondContact O-N 2.88Å; G111-N113 PolarHBondContact O-N 3.03Å
112A98.5Very high97.9Very high7 Ų741.7 Ų41.76%0.05824%0.242CC..  trans-62.1123.417100000111.1T73 L92 L107 V114T73-A112 HydrophobicContact CG2-CB 4.37Å; L92-A112 HydrophobicContact CB-CB 4.18Å; L92-A112 HydrophobicContact CD2-CB 3.87Å; L107-A112 VanDerWaalsContact C-CB 3.47Å; L107-A112 HydrophobicContact CB-CB 3.9Å; L107-A112 WeakPolarHBondContact O-CB 3.47Å; L107-A112 PolarHBondContact O-N 3.41Å; A112-V114 PolarHBondContact O-N 2.99Å; A112-V114 VanDerWaalsContact O-N 3.07Å
113N98.5Very high97.9Very high80 Ų8036.7 Ų36.743%0.42822%0.219SC..  trans-63.8108.1173.3179.52.3000111.2G111 N115 H116G111-N113 PolarHBondContact O-N 3.03Å; N113-N115 PolarHBondContact O-N 2.78Å; N113-N115 VanDerWaalsContact O-N 3.16Å; N113-N115 PolarHBondContact OD1-N 2.84Å; N113-H116 HydrophobicContact CB-CB 4.26Å; N113-H116 PolarHBondContact O-N 3.06Å
114V98.5Very high97.9Very high12 Ų1236.6 Ų36.67%0.07322%0.219CC..THydrogen-bonded Turntrans-62.9-17.1179.8-63.30000114.5L92 V108 A112 P124 L140 N143 A145L92-V114 HydrophobicContact CD2-CB 4.44Å; L92-V114 HydrophobicContact CD2-CG1 4.12Å; V108-V114 HydrophobicContact CG1-CG1 4.31Å; V108-V114 HydrophobicContact CG2-CG1 3.85Å; A112-V114 PolarHBondContact O-N 2.99Å; A112-V114 VanDerWaalsContact O-N 3.07Å; V114-P124 WeakPolarHBondContact O-CD 3.46Å; V114-L140 HydrophobicContact CB-CD2 4.32Å; V114-L140 HydrophobicContact CG1-CD2 3.96Å; V114-N143 HydrophobicContact CG1-CB 4.4Å; V114-N143 WeakPolarHBondContact CG2-O 3.43Å; V114-A145 HydrophobicContact CB-CB 4.27Å; V114-A145 HydrophobicContact CG2-CB 4.21Å
115N98.5Very high97.9Very high45 Ų4536.6 Ų36.624%0.24122%0.219CC..THydrogen-bonded Turntrans-107.76.8-178.9-66.9-48.4000113.4N113 T117 N144 A145 N146 I149N113-N115 PolarHBondContact O-N 2.78Å; N113-N115 VanDerWaalsContact O-N 3.16Å; N113-N115 PolarHBondContact OD1-N 2.84Å; N115-T117 PolarHBondContact O-N 3.39Å; N115-N144 PolarHBondContact ND2-O 3.29Å; N115-A145 WeakPolarHBondContact OD1-CA 3.33Å; N115-N146 PolarHBondContact OD1-N 3.18Å; N115-I149 HydrophobicContact CB-CD1 4.01Å
116H98.3Very high97.9Very high48 Ų4834.1 Ų34.122%0.22221%0.208CC..PPolyproline II helixtrans-63.9123.1176.3-168.7148.4000110.1T76 T90 N113 P124T76-H116 WeakPolarHBondContact CG2-NE2 3.49Å; T90-H116 HydrophobicContact CG2-CB 4.11Å; T90-H116 WeakPolarHBondContact CG2-ND1 3.45Å; N113-H116 HydrophobicContact CB-CB 4.26Å; N113-H116 PolarHBondContact O-N 3.06Å; H116-P124 VanDerWaalsContact O-CD 3.27Å; H116-P124 WeakPolarHBondContact O-CD 3.13Å
117T97.6Very high97.8Very high40 Ų4033.8 Ų33.825%0.24521%0.207CC..PPolyproline II helixtrans-98.9149.4-178.457.10000114.8N115 N121 S122 T123 I149N115-T117 PolarHBondContact O-N 3.39Å; T117-N121 WeakPolarHBondContact CG2-OD1 3.5Å; T117-N121 PolarHBondContact OG1-OD1 3Å; T117-S122 VanDerWaalsContact CA-O 3.29Å; T117-S122 WeakPolarHBondContact CA-O 3.48Å; T117-T123 HydrophobicContact CG2-CG2 3.63Å; T117-I149 HydrophobicContact CG2-CG2 4.22Å
118T97.6Very high97.8Very high5 Ų533.8 Ų33.83%0.03121%0.207CC..PPolyproline II helixtrans-61.5173.7163.364.80000111.4I86 D87 A89 W93 T120 N121 S122I86-T118 HydrophobicContact CG2-CG2 3.41Å; I86-T118 VanDerWaalsContact CG2-CG2 3.41Å; D87-T118 WeakPolarHBondContact O-CA 3.47Å; D87-T118 VanDerWaalsContact O-CB 3.23Å; D87-T118 WeakPolarHBondContact O-CB 3.37Å; A89-T118 HydrophobicContact CB-CG2 4.42Å; W93-T118 HydrophobicContact CD2-CG2 4.1Å; W93-T118 HydrophobicContact CG-CG2 4.16Å; W93-T118 HydrophobicContact CZ2-CG2 4.38Å; T118-T120 PolarHBondContact O-N 3.36Å; T118-T120 VanDerWaalsContact O-N 3.17Å; T118-T120 PolarHBondContact OG1-N 3.08Å; T118-T120 PolarHBondContact OG1-OG1 3.03Å; T118-N121 WeakPolarHBondContact O-CA 3.12Å; T118-N121 PolarHBondContact O-N 3.18Å; T118-S122 PolarHBondContact N-O 3.4Å; T118-S122 WeakPolarHBondContact OG1-CB 3.44Å; T118-S122 PolarHBondContact OG1-N 3.01Å
119V95.5Very high97.8Very high105 Ų10533 Ų3364%0.63620%0.202SC*.THydrogen-bonded Turntrans-58.4-28.5174.4174.90000112.4D87 N121D87-V119 HydrophobicContact CB-CB 4.47Å; D87-V119 HydrophobicContact CB-CG2 4.04Å; D87-V119 PolarHBondContact O-N 3.41Å; V119-N121 VanDerWaalsContact C-N 3.25Å; V119-N121 PolarHBondContact O-N 2.81Å
120T94Very high97.8Very high61 Ų6132.8 Ų32.837%0.37419%0.191SC..THydrogen-bonded Turntrans-88.816.3175.652.70000113.6T118 S122 N151 K152T118-T120 PolarHBondContact O-N 3.36Å; T118-T120 VanDerWaalsContact O-N 3.17Å; T118-T120 PolarHBondContact OG1-N 3.08Å; T118-T120 PolarHBondContact OG1-OG1 3.03Å; T120-S122 VanDerWaalsContact C-N 3.32Å; T120-S122 PolarHBondContact O-N 3.22Å; T120-N151 WeakPolarHBondContact O-CB 3.12Å; T120-K152 PolarHBondContact O-N 2.78Å
121N96.7Very high97.7Very high65 Ų6533 Ų3335%0.34820%0.195SC..  trans62.131.7-179.5-147.839.9000114.1T117 T118 V119 R126 A150 N151T117-N121 WeakPolarHBondContact CG2-OD1 3.5Å; T117-N121 PolarHBondContact OG1-OD1 3Å; T118-N121 WeakPolarHBondContact O-CA 3.12Å; T118-N121 PolarHBondContact O-N 3.18Å; V119-N121 VanDerWaalsContact C-N 3.25Å; V119-N121 PolarHBondContact O-N 2.81Å; N121-R126 PolarHBondContact O-NH1 3.49Å; N121-A150 PolarHBondContact ND2-O 3.41Å; N121-N151 WeakPolarHBondContact O-CA 3.37Å
122S97.2Very high97.7Very high14 Ų1431.2 Ų31.210%0.09818%0.176CC..  trans-90.6123.3177.5-169.10000111.5W93 T117 T118 T120W93-S122 PolarHBondContact NE1-O 2.79Å; W93-S122 PolarHBondContact NE1-OG 3.22Å; T117-S122 VanDerWaalsContact CA-O 3.29Å; T117-S122 WeakPolarHBondContact CA-O 3.48Å; T118-S122 PolarHBondContact N-O 3.4Å; T118-S122 WeakPolarHBondContact OG1-CB 3.44Å; T118-S122 PolarHBondContact OG1-N 3.01Å; T120-S122 VanDerWaalsContact C-N 3.32Å; T120-S122 PolarHBondContact O-N 3.22Å
123T98.5Very high97.7Very high0 Ų035.4 Ų35.40%019%0.19CC..  trans-86.6160.9178.158.90000111.7W93 T117 L125 R126 A127 I149W93-T123 VanDerWaalsContact CD1-C 3.49Å; W93-T123 PolarHBondContact NE1-O 2.82Å; T117-T123 HydrophobicContact CG2-CG2 3.63Å; T123-L125 PolarHBondContact O-N 3.08Å; T123-R126 PolarHBondContact O-N 3.17Å; T123-R126 VanDerWaalsContact O-N 3.12Å; T123-R126 PolarHBondContact OG1-N 3.45Å; T123-R126 VanDerWaalsContact OG1-N 3.1Å; T123-A127 PolarHBondContact O-N 2.9Å; T123-I149 HydrophobicContact CG2-CB 4.02Å; T123-I149 HydrophobicContact CG2-CD1 4.11Å; T123-I149 HydrophobicContact CG2-CG2 3.79Å
124P98.7Very high97.7Very high0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-54.9-37.5168.7-26.232.5000112.9L92 W93 A96 V114 H116 A127 A128 L140L92-P124 HydrophobicContact CB-CG 4.45Å; L92-P124 HydrophobicContact CD2-CB 4.32Å; L92-P124 HydrophobicContact CD2-CG 4.04Å; L92-P124 HydrophobicContact CG-CB 3.94Å; L92-P124 HydrophobicContact CG-CG 3.93Å; W93-P124 HydrophobicContact CB-CG 4.25Å; A96-P124 HydrophobicContact CB-CB 4.11Å; A96-P124 WeakPolarHBondContact CB-O 3.33Å; V114-P124 WeakPolarHBondContact O-CD 3.46Å; H116-P124 VanDerWaalsContact O-CD 3.27Å; H116-P124 WeakPolarHBondContact O-CD 3.13Å; P124-A127 WeakPolarHBondContact O-CB 3.49Å; P124-A127 PolarHBondContact O-N 3.45Å; P124-A128 PolarHBondContact O-N 3.19Å; P124-L140 HydrophobicContact CB-CD1 4.14Å
125L98.8Very high97.7Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-60.3-45.7175.1178.463.9000111.5T123 A127 A128 C129 V137 L140 V141 A145 I147T123-L125 PolarHBondContact O-N 3.08Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.2Å; L125-A128 PolarHBondContact O-N 2.9Å; L125-C129 PolarHBondContact O-N 2.91Å; L125-C129 PolarHBondContact O-SG 3.08Å; L125-V137 HydrophobicContact CD1-CB 4.26Å; L125-V137 HydrophobicContact CD1-CG1 3.92Å; L125-V137 HydrophobicContact CD1-CG2 4.32Å; L125-L140 HydrophobicContact CB-CD1 4.3Å; L125-L140 HydrophobicContact CD1-CB 4.21Å; L125-V141 HydrophobicContact CD1-CG2 3.96Å; L125-V141 HydrophobicContact CD2-CG2 4.09Å; L125-A145 HydrophobicContact CB-CB 4.15Å; L125-A145 HydrophobicContact CD2-CB 4.05Å; L125-I147 HydrophobicContact CD2-CB 4.39Å; L125-I147 HydrophobicContact CD2-CG2 3.9Å
126R98.2Very high97.7Very high7 Ų733.2 Ų33.23%0.02618%0.178CC..Hα-helixtrans-62.5-39.2176.2179.9178.1-77.384.318.6112N121 T123 A128 C129 F130 I149 N155 I160N121-R126 PolarHBondContact O-NH1 3.49Å; T123-R126 PolarHBondContact O-N 3.17Å; T123-R126 VanDerWaalsContact O-N 3.12Å; T123-R126 PolarHBondContact OG1-N 3.45Å; T123-R126 VanDerWaalsContact OG1-N 3.1Å; R126-A128 VanDerWaalsContact C-N 3.35Å; R126-C129 PolarHBondContact O-N 2.9Å; R126-F130 WeakPolarHBondContact O-CB 3.28Å; R126-F130 PolarHBondContact O-N 3.21Å; R126-I149 VanDerWaalsContact CZ-O 3.27Å; R126-I149 PolarHBondContact NH1-O 3.27Å; R126-I149 PolarHBondContact NH2-O 3.47Å; R126-N155 VanDerWaalsContact CZ-O 3.31Å; R126-N155 PolarHBondContact NE-O 3.18Å; R126-N155 PolarHBondContact NH2-O 3.38Å; R126-I160 HydrophobicContact CG-CG1 4.15Å
127A97.7Very high97.8Very high6 Ų630.9 Ų30.95%0.0517%0.167CC..Hα-helixtrans-61-43.817500000111.4W93 T123 P124 L125 F130 D131W93-A127 HydrophobicContact CD2-CB 4.18Å; W93-A127 HydrophobicContact CG-CB 4.49Å; W93-A127 HydrophobicContact CZ2-CB 3.93Å; T123-A127 PolarHBondContact O-N 2.9Å; P124-A127 WeakPolarHBondContact O-CB 3.49Å; P124-A127 PolarHBondContact O-N 3.45Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 3.2Å; A127-F130 WeakPolarHBondContact O-CB 3.36Å; A127-F130 PolarHBondContact O-N 3.29Å; A127-D131 PolarHBondContact O-N 2.66Å; A127-D131 VanDerWaalsContact O-N 3.13Å
128A98.7Very high97.8Very high0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-65.2-37.3174.200000113.2A96 P124 L125 R126 F130 D131 G132 R133 I136 V137 L140A96-A128 HydrophobicContact CB-CB 4.29Å; P124-A128 PolarHBondContact O-N 3.19Å; L125-A128 PolarHBondContact O-N 2.9Å; R126-A128 VanDerWaalsContact C-N 3.35Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-D131 PolarHBondContact O-N 3.05Å; A128-G132 PolarHBondContact O-N 3.49Å; A128-R133 PolarHBondContact O-N 3.33Å; A128-R133 VanDerWaalsContact O-N 3.08Å; A128-I136 HydrophobicContact CB-CB 4.08Å; A128-I136 HydrophobicContact CB-CG2 3.51Å; A128-V137 HydrophobicContact CB-CG2 3.82Å; A128-L140 HydrophobicContact CB-CD1 4.43Å
129C98.7Very high97.9Very high0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-67.9-31.1174.4-68.10000112.8L125 R126 C157 A161 H166 V169L125-C129 PolarHBondContact O-N 2.91Å; L125-C129 PolarHBondContact O-SG 3.08Å; R126-C129 PolarHBondContact O-N 2.9Å; C129-C157 HydrophobicContact CB-CB 4.35Å; C129-A161 HydrophobicContact CB-CB 4.48Å; C129-H166 PolarHBondContact O-CD2 3.07Å; C129-H166 VanDerWaalsContact O-CD2 3.27Å; C129-V169 HydrophobicContact CB-CG1 4.3Å
130F97Very high98Very high76 Ų7629.7 Ų29.733%0.33315%0.148SC..Hα-helixtrans-68.4-43.1174-176.1-84.9000111.4R126 A127 A128 I160 K164 H166R126-F130 WeakPolarHBondContact O-CB 3.28Å; R126-F130 PolarHBondContact O-N 3.21Å; A127-F130 WeakPolarHBondContact O-CB 3.36Å; A127-F130 PolarHBondContact O-N 3.29Å; A128-F130 VanDerWaalsContact C-N 3.33Å; F130-I160 HydrophobicContact CB-CG2 3.81Å; F130-I160 HydrophobicContact CD2-CG2 3.91Å; F130-I160 HydrophobicContact CG-CG2 4.33Å; F130-K164 VanDerWaalsContact CD2-CE 3.49Å; F130-K164 HydrophobicContact CD2-CG 4.38Å; F130-K164 HydrophobicContact CE2-CD 4.46Å; F130-H166 PolarHBondContact O-NE2 3.45Å; F130-H166 VanDerWaalsContact O-NE2 3.07Å
131D96.3Very high98.3Very high69 Ų6927.9 Ų27.937%0.36914%0.137SC..Hα-helixtrans-75.9-23.2178.9-166.452.7000113.2A127 A128 R133A127-D131 PolarHBondContact O-N 2.66Å; A127-D131 VanDerWaalsContact O-N 3.13Å; A128-D131 PolarHBondContact O-N 3.05Å; D131-R133 HydrophobicContact CB-CG 4.13Å; D131-R133 WeakPolarHBondContact OD2-CD 3.41Å; D131-R133 WeakPolarHBondContact OD2-CG 3.27Å
132G98.1Very high98.3Very high15 Ų1531 Ų3116%0.15515%0.15CC..THydrogen-bonded Turntrans88.722.7178.700000114.5A128 L134 H166A128-G132 PolarHBondContact O-N 3.49Å; G132-L134 PolarHBondContact O-N 3.41Å; G132-L134 VanDerWaalsContact O-N 3.15Å; G132-H166 WeakPolarHBondContact CA-CD2 3.42Å; G132-H166 VanDerWaalsContact CA-CG 3.41Å; G132-H166 VanDerWaalsContact CA-NE2 3.32Å; G132-H166 WeakPolarHBondContact CA-NE2 3.36Å; G132-H166 PolarHBondContact N-NE2 2.96Å
133R98.3Very high98.4Very high95 Ų9532.9 Ų32.936%0.35816%0.159SC..  trans-87.883-174.1-64.1-63.4-53.3-159.6-0.5111.6A128 D131 D135 I136 V137A128-R133 PolarHBondContact O-N 3.33Å; A128-R133 VanDerWaalsContact O-N 3.08Å; D131-R133 HydrophobicContact CB-CG 4.13Å; D131-R133 WeakPolarHBondContact OD2-CD 3.41Å; D131-R133 WeakPolarHBondContact OD2-CG 3.27Å; R133-D135 WeakPolarHBondContact CB-OD1 3.4Å; R133-D135 IonicContact CZ-OD1 3.85Å; R133-D135 IonicContact CZ-OD2 3.96Å; R133-D135 IonicContact NE-OD1 2.92Å; R133-D135 PolarHBondContact NE-OD1 3.31Å; R133-D135 IonicContact NE-OD2 2.7Å; R133-D135 IonicContact NH2-OD1 2.82Å; R133-D135 IonicContact NH2-OD2 3.55Å; R133-D135 PolarHBondContact NH2-OD2 3.04Å; R133-D135 PolarHBondContact O-N 2.83Å; R133-I136 HydrophobicContact CB-CB 4.04Å; R133-I136 HydrophobicContact CB-CD1 3.84Å; R133-I136 HydrophobicContact CB-CG1 4.27Å; R133-I136 HydrophobicContact CG-CD1 4.19Å; R133-I136 PolarHBondContact O-N 3.21Å; R133-I136 VanDerWaalsContact O-N 3.08Å; R133-V137 WeakPolarHBondContact O-CG2 3.33Å; R133-V137 PolarHBondContact O-N 3.14Å
134L98.8Very high98.4Very high34 Ų3439.3 Ų39.318%0.17819%0.193CC..Hα-helixtrans-55.5-36.3-179-178.364.1000113.2G132 V137 K138 D168 V169 Y172G132-L134 PolarHBondContact O-N 3.41Å; G132-L134 VanDerWaalsContact O-N 3.15Å; L134-V137 PolarHBondContact O-N 3.21Å; L134-K138 HydrophobicContact CD1-CD 4.37Å; L134-K138 HydrophobicContact CD1-CG 4.12Å; L134-K138 HydrophobicContact CG-CD 4.19Å; L134-K138 HydrophobicContact CG-CG 4.34Å; L134-K138 WeakPolarHBondContact O-CB 3.13Å; L134-K138 VanDerWaalsContact O-CG 3.31Å; L134-K138 WeakPolarHBondContact O-CG 3.33Å; L134-K138 PolarHBondContact O-N 3.03Å; L134-D168 HydrophobicContact CD2-CB 4.04Å; L134-V169 HydrophobicContact CB-CG2 4.17Å; L134-V169 HydrophobicContact CD1-CG2 4.32Å; L134-Y172 HydrophobicContact CD1-CD1 4.25Å; L134-Y172 HydrophobicContact CD1-CG 4Å
135D98.7Very high98.4Very high57 Ų5739.7 Ų39.731%0.30520%0.196SC..Hα-helixtrans-58-47175.255.6-13.3000112.2R133 Y139R133-D135 WeakPolarHBondContact CB-OD1 3.4Å; R133-D135 IonicContact CZ-OD1 3.85Å; R133-D135 IonicContact CZ-OD2 3.96Å; R133-D135 IonicContact NE-OD1 2.92Å; R133-D135 PolarHBondContact NE-OD1 3.31Å; R133-D135 IonicContact NE-OD2 2.7Å; R133-D135 IonicContact NH2-OD1 2.82Å; R133-D135 IonicContact NH2-OD2 3.55Å; R133-D135 PolarHBondContact NH2-OD2 3.04Å; R133-D135 PolarHBondContact O-N 2.83Å; D135-Y139 WeakPolarHBondContact O-CB 3.34Å; D135-Y139 PolarHBondContact O-N 3.02Å
136I98.9Very high98.4Very high0 Ų042.9 Ų42.90%021%0.213CC..Hα-helixtrans-71.2-42.8176.6-69162.9000111.1A96 F101 V104 A128 R133 K138 Y139 L140A96-I136 HydrophobicContact CB-CG2 4.08Å; F101-I136 HydrophobicContact CB-CD1 4.36Å; F101-I136 HydrophobicContact CB-CG1 4Å; F101-I136 HydrophobicContact CD2-CG1 3.7Å; F101-I136 HydrophobicContact CG-CG1 4.29Å; V104-I136 HydrophobicContact CG1-CG2 4.28Å; V104-I136 HydrophobicContact CG2-CD1 4.27Å; V104-I136 HydrophobicContact CG2-CG1 4.25Å; V104-I136 HydrophobicContact CG2-CG2 4.15Å; A128-I136 HydrophobicContact CB-CB 4.08Å; A128-I136 HydrophobicContact CB-CG2 3.51Å; R133-I136 HydrophobicContact CB-CB 4.04Å; R133-I136 HydrophobicContact CB-CD1 3.84Å; R133-I136 HydrophobicContact CB-CG1 4.27Å; R133-I136 HydrophobicContact CG-CD1 4.19Å; R133-I136 PolarHBondContact O-N 3.21Å; R133-I136 VanDerWaalsContact O-N 3.08Å; I136-K138 PolarHBondContact O-N 3.19Å; I136-Y139 PolarHBondContact O-N 3.19Å; I136-L140 HydrophobicContact CG2-CD1 3.67Å; I136-L140 HydrophobicContact CG2-CG 4.06Å; I136-L140 WeakPolarHBondContact O-CB 3.39Å; I136-L140 VanDerWaalsContact O-CG 3.32Å; I136-L140 WeakPolarHBondContact O-CG 3.43Å; I136-L140 PolarHBondContact O-N 3.18Å
137V98.9Very high98.3Very high0 Ų044 Ų440%022%0.219CC..Hα-helixtrans-56.3-50.5177.9169.20000110.3L125 A128 R133 L134 L140 V141 V169 Y172 L173L125-V137 HydrophobicContact CD1-CB 4.26Å; L125-V137 HydrophobicContact CD1-CG1 3.92Å; L125-V137 HydrophobicContact CD1-CG2 4.32Å; A128-V137 HydrophobicContact CB-CG2 3.82Å; R133-V137 WeakPolarHBondContact O-CG2 3.33Å; R133-V137 PolarHBondContact O-N 3.14Å; L134-V137 PolarHBondContact O-N 3.21Å; V137-L140 PolarHBondContact O-N 3.48Å; V137-V141 WeakPolarHBondContact O-CG2 3.28Å; V137-V141 PolarHBondContact O-N 2.84Å; V137-V169 HydrophobicContact CG1-CG1 4.36Å; V137-V169 HydrophobicContact CG2-CG1 4.2Å; V137-V169 HydrophobicContact CG2-CG2 4.46Å; V137-Y172 HydrophobicContact CG1-CD1 3.75Å; V137-Y172 HydrophobicContact CG1-CE1 3.94Å; V137-L173 HydrophobicContact CG1-CD2 4.36Å
138K98.9Very high98.2Very high80 Ų8047.6 Ų47.635%0.34824%0.244SC..Hα-helixtrans-57.7-52177.2-76.4-178.8173.9-175.40111.6L134 I136 L140 V141 E142 Y172L134-K138 HydrophobicContact CD1-CD 4.37Å; L134-K138 HydrophobicContact CD1-CG 4.12Å; L134-K138 HydrophobicContact CG-CD 4.19Å; L134-K138 HydrophobicContact CG-CG 4.34Å; L134-K138 WeakPolarHBondContact O-CB 3.13Å; L134-K138 VanDerWaalsContact O-CG 3.31Å; L134-K138 WeakPolarHBondContact O-CG 3.33Å; L134-K138 PolarHBondContact O-N 3.03Å; I136-K138 PolarHBondContact O-N 3.19Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 2.87Å; K138-V141 PolarHBondContact O-N 3.3Å; K138-E142 WeakPolarHBondContact O-CB 3.14Å; K138-E142 VanDerWaalsContact O-CG 3.27Å; K138-E142 WeakPolarHBondContact O-CG 3.46Å; K138-E142 PolarHBondContact O-N 3.3Å; K138-Y172 HydrophobicContact CB-CE1 4.46Å; K138-Y172 HydrophobicContact CD-CD2 4.5Å; K138-Y172 HydrophobicContact CD-CE2 4.38Å; K138-Y172 HydrophobicContact CG-CD1 4.16Å; K138-Y172 HydrophobicContact CG-CD2 4.01Å; K138-Y172 HydrophobicContact CG-CE1 3.87Å; K138-Y172 HydrophobicContact CG-CE2 3.71Å; K138-Y172 HydrophobicContact CG-CG 4.21Å
139Y98.9Very high98Very high45 Ų4549.4 Ų49.418%0.17625%0.253CS..Hα-helixtrans-62.3-40.3-177.5-177.6-100000112.8F101 V104 K105 V108 D135 I136 E142 N143F101-Y139 HydrophobicContact CE2-CD1 4.26Å; F101-Y139 HydrophobicContact CE2-CD2 4.3Å; F101-Y139 AromaticContact CE2-CG 3.8Å; F101-Y139 HydrophobicContact CE2-CG 3.8Å; F101-Y139 HydrophobicContact CZ-CD2 4.43Å; F101-Y139 HydrophobicContact CZ-CG 4.36Å; V104-Y139 HydrophobicContact CG1-CD1 3.88Å; V104-Y139 HydrophobicContact CG1-CE1 4.19Å; K105-Y139 HydrophobicContact CB-CE1 4.41Å; K105-Y139 HydrophobicContact CD-CE2 4.49Å; K105-Y139 HydrophobicContact CG-CD1 4.31Å; K105-Y139 HydrophobicContact CG-CD2 4.38Å; K105-Y139 HydrophobicContact CG-CE1 3.87Å; K105-Y139 HydrophobicContact CG-CE2 3.96Å; V108-Y139 HydrophobicContact CB-CE1 3.9Å; V108-Y139 HydrophobicContact CG1-CE1 4.08Å; V108-Y139 HydrophobicContact CG2-CE1 4.02Å; D135-Y139 WeakPolarHBondContact O-CB 3.34Å; D135-Y139 PolarHBondContact O-N 3.02Å; I136-Y139 PolarHBondContact O-N 3.19Å; Y139-E142 PolarHBondContact O-N 3.26Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.41Å; Y139-N143 WeakPolarHBondContact O-CB 3.49Å; Y139-N143 PolarHBondContact O-N 2.98Å; Y139-N143 PolarHBondContact O-ND2 3.43Å
140L98.9Very high97.9Very high0 Ų050.4 Ų50.40%026%0.262CS..Hα-helixtrans-65.1-43.6176.7-73.1176.2000111.4L92 A96 V104 V108 V114 P124 L125 A128 I136 V137 K138 N143 N144 A145L92-L140 HydrophobicContact CD1-CD2 4.32Å; L92-L140 HydrophobicContact CD2-CD2 4.44Å; A96-L140 HydrophobicContact CB-CD1 4.36Å; V104-L140 HydrophobicContact CG1-CD2 4.08Å; V104-L140 HydrophobicContact CG1-CG 4.43Å; V108-L140 HydrophobicContact CG2-CD2 4.23Å; V114-L140 HydrophobicContact CB-CD2 4.32Å; V114-L140 HydrophobicContact CG1-CD2 3.96Å; P124-L140 HydrophobicContact CB-CD1 4.14Å; L125-L140 HydrophobicContact CB-CD1 4.3Å; L125-L140 HydrophobicContact CD1-CB 4.21Å; A128-L140 HydrophobicContact CB-CD1 4.43Å; I136-L140 HydrophobicContact CG2-CD1 3.67Å; I136-L140 HydrophobicContact CG2-CG 4.06Å; I136-L140 WeakPolarHBondContact O-CB 3.39Å; I136-L140 VanDerWaalsContact O-CG 3.32Å; I136-L140 WeakPolarHBondContact O-CG 3.43Å; I136-L140 PolarHBondContact O-N 3.18Å; V137-L140 PolarHBondContact O-N 3.48Å; K138-L140 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 2.87Å; L140-N143 CarbonylContact O-C 3.28Å; L140-N143 VanDerWaalsContact O-C 3.28Å; L140-N143 WeakPolarHBondContact O-CA 3.41Å; L140-N143 PolarHBondContact O-N 3.31Å; L140-N143 VanDerWaalsContact O-N 3.11Å; L140-N144 PolarHBondContact O-N 3.13Å; L140-A145 VanDerWaalsContact C-CB 3.45Å; L140-A145 HydrophobicContact CB-CB 3.87Å; L140-A145 WeakPolarHBondContact O-CB 3.09Å; L140-A145 PolarHBondContact O-N 3.34Å
141V98.8Very high97.8Very high23 Ų2347.9 Ų47.914%0.13925%0.252CS..Hα-helixtrans-64.1-43.8176.9173.10000111.3L125 V137 K138 N143 N144 I147 Y172 Q176L125-V141 HydrophobicContact CD1-CG2 3.96Å; L125-V141 HydrophobicContact CD2-CG2 4.09Å; V137-V141 WeakPolarHBondContact O-CG2 3.28Å; V137-V141 PolarHBondContact O-N 2.84Å; K138-V141 PolarHBondContact O-N 3.3Å; V141-N143 PolarHBondContact O-N 3.37Å; V141-N144 PolarHBondContact O-N 2.69Å; V141-I147 HydrophobicContact CG2-CG2 3.81Å; V141-Y172 HydrophobicContact CB-CE1 4.23Å; V141-Y172 HydrophobicContact CG2-CE1 4.14Å; V141-Q176 HydrophobicContact CG1-CG 4.2Å
142E98.4Very high97.8Very high131 Ų13151.2 Ų51.261%0.61226%0.263SS*.Hα-helixtrans-59.4-25.6173.2-72.5167-171.900112.6K138 Y139K138-E142 WeakPolarHBondContact O-CB 3.14Å; K138-E142 VanDerWaalsContact O-CG 3.27Å; K138-E142 WeakPolarHBondContact O-CG 3.46Å; K138-E142 PolarHBondContact O-N 3.3Å; Y139-E142 PolarHBondContact O-N 3.26Å
143N98.6Very high97.7Very high53 Ų5356.7 Ų56.728%0.28328%0.28SS..THydrogen-bonded Turntrans-10029.2175.2-73.2-90000113.1V108 V114 Y139 L140 V141V108-N143 HydrophobicContact CG1-CB 3.85Å; V114-N143 HydrophobicContact CG1-CB 4.4Å; V114-N143 WeakPolarHBondContact CG2-O 3.43Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.41Å; Y139-N143 WeakPolarHBondContact O-CB 3.49Å; Y139-N143 PolarHBondContact O-N 2.98Å; Y139-N143 PolarHBondContact O-ND2 3.43Å; L140-N143 CarbonylContact O-C 3.28Å; L140-N143 VanDerWaalsContact O-C 3.28Å; L140-N143 WeakPolarHBondContact O-CA 3.41Å; L140-N143 PolarHBondContact O-N 3.31Å; L140-N143 VanDerWaalsContact O-N 3.11Å; V141-N143 PolarHBondContact O-N 3.37Å
144N98Very high97.7Very high135 Ų13555.9 Ų55.972%0.72228%0.282SS*.THydrogen-bonded Turntrans70.627.7173-46.3-73.1000115.5N115 L140 V141 N146N115-N144 PolarHBondContact ND2-O 3.29Å; L140-N144 PolarHBondContact O-N 3.13Å; V141-N144 PolarHBondContact O-N 2.69Å; N144-N146 PolarHBondContact O-N 3.38Å
145A98.6Very high97.7Very high7 Ų755.4 Ų55.46%0.05828%0.28CS..  trans-67.6128.4166.800000110.2V114 N115 L125 L140 I147V114-A145 HydrophobicContact CB-CB 4.27Å; V114-A145 HydrophobicContact CG2-CB 4.21Å; N115-A145 WeakPolarHBondContact OD1-CA 3.33Å; L125-A145 HydrophobicContact CB-CB 4.15Å; L125-A145 HydrophobicContact CD2-CB 4.05Å; L140-A145 VanDerWaalsContact C-CB 3.45Å; L140-A145 HydrophobicContact CB-CB 3.87Å; L140-A145 WeakPolarHBondContact O-CB 3.09Å; L140-A145 PolarHBondContact O-N 3.34Å; A145-I147 PolarHBondContact O-N 3Å
146N98.1Very high97.6Very high68 Ų6853.5 Ų53.536%0.36427%0.271SS..  trans-84112-179.3-177.3-0.2000110.6N115 N144 S148 I149N115-N146 PolarHBondContact OD1-N 3.18Å; N144-N146 PolarHBondContact O-N 3.38Å; N146-S148 PolarHBondContact ND2-OG 2.62Å; N146-S148 PolarHBondContact O-N 3.18Å; N146-S148 WeakPolarHBondContact OD1-CB 3.19Å; N146-S148 PolarHBondContact OD1-N 2.93Å; N146-S148 PolarHBondContact OD1-OG 3.39Å; N146-I149 HydrophobicContact CB-CD1 3.83Å; N146-I149 HydrophobicContact CB-CG1 3.9Å
147I97.2Very high97.6Very high30 Ų3053.5 Ų53.515%0.15427%0.271CS..THydrogen-bonded Turntrans-63.7-20.4178.667.3176.6000113.5L125 V141 A145 L173 Q176 A178L125-I147 HydrophobicContact CD2-CB 4.39Å; L125-I147 HydrophobicContact CD2-CG2 3.9Å; V141-I147 HydrophobicContact CG2-CG2 3.81Å; A145-I147 PolarHBondContact O-N 3Å; I147-L173 HydrophobicContact CG2-CD2 4.15Å; I147-Q176 HydrophobicContact CD1-CB 4.27Å; I147-Q176 WeakPolarHBondContact CD1-O 3.45Å; I147-A178 HydrophobicContact CD1-CB 4.09Å
148S94.7Very high97.6Very high81 Ų8153.6 Ų53.657%0.56627%0.271SS*.THydrogen-bonded Turntrans-90.5-9.9-17384.90000114.5N146 A150N146-S148 PolarHBondContact ND2-OG 2.62Å; N146-S148 PolarHBondContact O-N 3.18Å; N146-S148 WeakPolarHBondContact OD1-CB 3.19Å; N146-S148 PolarHBondContact OD1-N 2.93Å; N146-S148 PolarHBondContact OD1-OG 3.39Å; S148-A150 PolarHBondContact O-N 3.3Å
149I95.7Very high97.6Very high38 Ų3849.9 Ų49.920%0.19526%0.255CS..  trans-67.8105.6179.9-63.1173.8000108.4N115 T117 T123 R126 N146N115-I149 HydrophobicContact CB-CD1 4.01Å; T117-I149 HydrophobicContact CG2-CG2 4.22Å; T123-I149 HydrophobicContact CG2-CB 4.02Å; T123-I149 HydrophobicContact CG2-CD1 4.11Å; T123-I149 HydrophobicContact CG2-CG2 3.79Å; R126-I149 VanDerWaalsContact CZ-O 3.27Å; R126-I149 PolarHBondContact NH1-O 3.27Å; R126-I149 PolarHBondContact NH2-O 3.47Å; N146-I149 HydrophobicContact CB-CD1 3.83Å; N146-I149 HydrophobicContact CB-CG1 3.9Å
150A95.3Very high97.6Very high22 Ų2249.1 Ų49.118%0.18225%0.254CS..  trans-79.2155.1177.600000111.8N121 S148 D154N121-A150 PolarHBondContact ND2-O 3.41Å; S148-A150 PolarHBondContact O-N 3.3Å; A150-D154 HydrophobicContact CB-CB 4.45Å
151N96.6Very high97.6Very high22 Ų2249.1 Ų49.112%0.11825%0.254CS..  trans-79.7-174.7176.176.13.3000111.8T120 N121 Y153 D154 N155T120-N151 WeakPolarHBondContact O-CB 3.12Å; N121-N151 WeakPolarHBondContact O-CA 3.37Å; N151-Y153 PolarHBondContact O-N 3.38Å; N151-Y153 WeakPolarHBondContact OD1-CA 3.44Å; N151-Y153 PolarHBondContact OD1-N 2.9Å; N151-D154 PolarHBondContact O-N 3.48Å; N151-D154 PolarHBondContact OD1-N 3.35Å; N151-N155 PolarHBondContact N-O 3.44Å; N151-N155 VanDerWaalsContact N-O 3.11Å; N151-N155 WeakPolarHBondContact OD1-CB 3.21Å; N151-N155 PolarHBondContact OD1-N 2.68Å
152K95.6Very high97.6Very high140 Ų14048 Ų4861%0.60925%0.247SC*.THydrogen-bonded Turntrans-54.8-19178.2-174.5177.1178.4-173.90114.4T120T120-K152 PolarHBondContact O-N 2.78Å
153Y96.2Very high97.6Very high129 Ų12946.9 Ų46.951%0.50624%0.238SC..THydrogen-bonded Turntrans-10919.5179.7-50.3-67.8000112.4N151 N155 H185N151-Y153 PolarHBondContact O-N 3.38Å; N151-Y153 WeakPolarHBondContact OD1-CA 3.44Å; N151-Y153 PolarHBondContact OD1-N 2.9Å; Y153-N155 PolarHBondContact O-N 3.12Å; Y153-N155 VanDerWaalsContact O-N 3.08Å; Y153-H185 WeakPolarHBondContact O-CB 3.37Å; Y153-H185 PolarHBondContact O-N 2.87Å
154D97.9Very high97.6Very high78 Ų7848.3 Ų48.342%0.41724%0.242SC..  trans5718.8-174.5-59-42.9000114.8A150 N151 T156A150-D154 HydrophobicContact CB-CB 4.45Å; N151-D154 PolarHBondContact O-N 3.48Å; N151-D154 PolarHBondContact OD1-N 3.35Å; D154-T156 PolarHBondContact O-N 2.62Å
155N98.3Very high97.6Very high25 Ų2542.9 Ų42.913%0.13422%0.218CC..  trans-74.7123.6176.4-68.8-49.7000110.6R126 N151 Y153 M159 I160 A184 F193R126-N155 VanDerWaalsContact CZ-O 3.31Å; R126-N155 PolarHBondContact NE-O 3.18Å; R126-N155 PolarHBondContact NH2-O 3.38Å; N151-N155 PolarHBondContact N-O 3.44Å; N151-N155 VanDerWaalsContact N-O 3.11Å; N151-N155 WeakPolarHBondContact OD1-CB 3.21Å; N151-N155 PolarHBondContact OD1-N 2.68Å; Y153-N155 PolarHBondContact O-N 3.12Å; Y153-N155 VanDerWaalsContact O-N 3.08Å; N155-M159 HydrophobicContact CB-SD 4.39Å; N155-I160 HydrophobicContact CB-CD1 4.09Å; N155-A184 VanDerWaalsContact OD1-CB 3.25Å; N155-A184 WeakPolarHBondContact OD1-CB 3.49Å; N155-F193 WeakPolarHBondContact OD1-CZ 3.44Å
156T98.4Very high97.6Very high16 Ų1644.7 Ų44.710%0.09823%0.225CC..  trans-84.8166.3176.869.40000112.2D154 L158 M159 I160 A182D154-T156 PolarHBondContact O-N 2.62Å; T156-L158 PolarHBondContact O-N 3.02Å; T156-M159 HydrophobicContact CG2-CE 4.13Å; T156-M159 HydrophobicContact CG2-SD 4.2Å; T156-M159 PolarHBondContact N-SD 3.13Å; T156-M159 PolarHBondContact O-N 2.93Å; T156-M159 WeakPolarHBondContact OG1-CG 3.44Å; T156-M159 PolarHBondContact OG1-N 3.31Å; T156-I160 WeakPolarHBondContact O-CG1 3.32Å; T156-I160 PolarHBondContact O-N 3.24Å; T156-I160 VanDerWaalsContact O-N 3.13Å; T156-A182 HydrophobicContact CG2-CB 3.91Å
157C98.7Very high97.6Very high1 Ų142.9 Ų42.91%0.00722%0.217CC..Hα-helixtrans-58.5-36.2173.5-660000112.1C129 I160 A161 L173C129-C157 HydrophobicContact CB-CB 4.35Å; C157-I160 PolarHBondContact O-N 3.06Å; C157-A161 WeakPolarHBondContact O-CB 3.36Å; C157-A161 PolarHBondContact O-N 2.89Å; C157-L173 HydrophobicContact CB-CD1 3.96Å; C157-L173 HydrophobicContact CB-CD2 4.4Å
158L98.8Very high97.7Very high2 Ų244.8 Ų44.81%0.0123%0.227CC..Hα-helixtrans-64.2-43.4177.4-179.763.4000111.5T156 A161 A162 V170 L173 L174 A178 P180 A190 L206T156-L158 PolarHBondContact O-N 3.02Å; L158-A161 PolarHBondContact O-N 3.43Å; L158-A162 WeakPolarHBondContact O-CB 3.36Å; L158-A162 PolarHBondContact O-N 3.06Å; L158-V170 HydrophobicContact CD1-CB 4.36Å; L158-V170 HydrophobicContact CD1-CG1 3.9Å; L158-V170 HydrophobicContact CD1-CG2 4.3Å; L158-L173 HydrophobicContact CB-CD1 4.38Å; L158-L173 HydrophobicContact CD1-CB 4.28Å; L158-L174 HydrophobicContact CD1-CD1 4.45Å; L158-L174 HydrophobicContact CD1-CD2 4.16Å; L158-L174 HydrophobicContact CD1-CG 3.98Å; L158-L174 HydrophobicContact CD2-CD2 3.75Å; L158-L174 HydrophobicContact CD2-CG 4.46Å; L158-A178 HydrophobicContact CB-CB 4.2Å; L158-A178 HydrophobicContact CD2-CB 4.1Å; L158-P180 HydrophobicContact CD2-CB 4.25Å; L158-A190 HydrophobicContact CD2-CB 4.14Å; L158-A190 HydrophobicContact CG-CB 3.88Å; L158-L206 HydrophobicContact CD1-CD2 4.38Å; L158-L206 HydrophobicContact CD2-CD2 4.23Å; L158-L206 HydrophobicContact CG-CD2 4.49Å
159M98.7Very high97.9Very high2 Ų240.9 Ų40.91%0.0120%0.2CC..Hα-helixtrans-62.6-44.3176-67.8163.2-176.600112N155 T156 A162 Y163 A182 A184 A190 F193N155-M159 HydrophobicContact CB-SD 4.39Å; T156-M159 HydrophobicContact CG2-CE 4.13Å; T156-M159 HydrophobicContact CG2-SD 4.2Å; T156-M159 PolarHBondContact N-SD 3.13Å; T156-M159 PolarHBondContact O-N 2.93Å; T156-M159 WeakPolarHBondContact OG1-CG 3.44Å; T156-M159 PolarHBondContact OG1-N 3.31Å; M159-A162 PolarHBondContact O-N 3.28Å; M159-Y163 WeakPolarHBondContact O-CB 3.28Å; M159-Y163 PolarHBondContact O-N 3.14Å; M159-A182 HydrophobicContact CE-CB 3.93Å; M159-A182 WeakPolarHBondContact CE-O 3.45Å; M159-A184 HydrophobicContact CE-CB 4.44Å; M159-A184 HydrophobicContact SD-CB 4.12Å; M159-A190 HydrophobicContact CG-CB 4.18Å; M159-F193 HydrophobicContact CB-CD2 3.73Å; M159-F193 HydrophobicContact CB-CE2 3.89Å; M159-F193 HydrophobicContact CG-CD2 3.88Å; M159-F193 HydrophobicContact CG-CE2 3.9Å; M159-F193 HydrophobicContact SD-CE2 4.01Å
160I98Very high98.1Very high28 Ų2839.1 Ų39.114%0.14419%0.191CC..Hα-helixtrans-63.5-47.1179-62.2-58.2000111R126 F130 N155 T156 C157 A162 Y163 K164R126-I160 HydrophobicContact CG-CG1 4.15Å; F130-I160 HydrophobicContact CB-CG2 3.81Å; F130-I160 HydrophobicContact CD2-CG2 3.91Å; F130-I160 HydrophobicContact CG-CG2 4.33Å; N155-I160 HydrophobicContact CB-CD1 4.09Å; T156-I160 WeakPolarHBondContact O-CG1 3.32Å; T156-I160 PolarHBondContact O-N 3.24Å; T156-I160 VanDerWaalsContact O-N 3.13Å; C157-I160 PolarHBondContact O-N 3.06Å; I160-A162 VanDerWaalsContact C-N 3.32Å; I160-A162 PolarHBondContact O-N 3.2Å; I160-Y163 PolarHBondContact O-N 2.91Å; I160-K164 WeakPolarHBondContact O-CB 3.26Å; I160-K164 WeakPolarHBondContact O-CG 3.41Å; I160-K164 PolarHBondContact O-N 3.44Å
161A98.8Very high98.2Very high0 Ų043.5 Ų43.50%020%0.203CC..Hα-helixtrans-63.9-38.4177.300000112C129 C157 L158 K164 G165 H166 V169 V170 L173C129-A161 HydrophobicContact CB-CB 4.48Å; C157-A161 WeakPolarHBondContact O-CB 3.36Å; C157-A161 PolarHBondContact O-N 2.89Å; L158-A161 PolarHBondContact O-N 3.43Å; A161-K164 PolarHBondContact O-N 3.05Å; A161-G165 PolarHBondContact O-N 2.69Å; A161-H166 PolarHBondContact O-N 2.92Å; A161-H166 VanDerWaalsContact O-N 3.09Å; A161-V169 HydrophobicContact CB-CB 4.24Å; A161-V169 HydrophobicContact CB-CG1 3.71Å; A161-V170 HydrophobicContact CB-CG2 3.81Å; A161-L173 HydrophobicContact CB-CD1 4.27Å
162A98.9Very high98.3Very high0 Ų043.4 Ų43.40%020%0.201CC..Hα-helixtrans-64.6-44.9177.100000112.3L158 M159 I160 V170 A190 A194 H199 I202L158-A162 WeakPolarHBondContact O-CB 3.36Å; L158-A162 PolarHBondContact O-N 3.06Å; M159-A162 PolarHBondContact O-N 3.28Å; I160-A162 VanDerWaalsContact C-N 3.32Å; I160-A162 PolarHBondContact O-N 3.2Å; A162-V170 HydrophobicContact CB-CG2 4.31Å; A162-A190 HydrophobicContact CB-CB 4.16Å; A162-A194 HydrophobicContact CB-CB 4.27Å; A162-H199 PolarHBondContact O-CD2 2.8Å; A162-I202 HydrophobicContact CB-CG2 3.87Å
163Y98.7Very high98.5Very high108 Ų10836.8 Ų36.842%0.42417%0.172SC..Hα-helixtrans-63.7-40.9175.3-174.7-107.6000112.2M159 I160 G165 F193 A197 H199M159-Y163 WeakPolarHBondContact O-CB 3.28Å; M159-Y163 PolarHBondContact O-N 3.14Å; I160-Y163 PolarHBondContact O-N 2.91Å; Y163-G165 VanDerWaalsContact C-N 3.34Å; Y163-G165 PolarHBondContact O-N 3.05Å; Y163-F193 HydrophobicContact CD2-CB 4.21Å; Y163-F193 HydrophobicContact CD2-CD1 4.07Å; Y163-A197 HydrophobicContact CD2-CB 4.28Å; Y163-A197 WeakPolarHBondContact O-CB 3.39Å; Y163-H199 PolarHBondContact O-CD2 2.82Å; Y163-H199 PolarHBondContact O-NE2 2.88Å
164K98.1Very high98.6Very high82 Ų8230.7 Ų30.736%0.35715%0.148SC..Hα-helixtrans-79.2-10.4-177.1-72.1-64.5-165.8173.10115F130 I160 A161F130-K164 VanDerWaalsContact CD2-CE 3.49Å; F130-K164 HydrophobicContact CD2-CG 4.38Å; F130-K164 HydrophobicContact CE2-CD 4.46Å; I160-K164 WeakPolarHBondContact O-CB 3.26Å; I160-K164 WeakPolarHBondContact O-CG 3.41Å; I160-K164 PolarHBondContact O-N 3.44Å; A161-K164 PolarHBondContact O-N 3.05Å
165G98.6Very high98.6Very high22 Ų2232.4 Ų32.423%0.22715%0.154CC..THydrogen-bonded Turntrans8617.2175.900000115.1A161 Y163 T167 H199A161-G165 PolarHBondContact O-N 2.69Å; Y163-G165 VanDerWaalsContact C-N 3.34Å; Y163-G165 PolarHBondContact O-N 3.05Å; G165-T167 PolarHBondContact O-N 2.91Å; G165-T167 VanDerWaalsContact O-N 3.08Å; G165-H199 VanDerWaalsContact CA-CD2 3.41Å; G165-H199 WeakPolarHBondContact CA-CD2 3.25Å; G165-H199 VanDerWaalsContact CA-CE1 3.41Å; G165-H199 WeakPolarHBondContact CA-CE1 3.5Å; G165-H199 VanDerWaalsContact CA-NE2 3.27Å; G165-H199 WeakPolarHBondContact CA-NE2 3.36Å; G165-H199 PolarHBondContact N-CD2 3.17Å; G165-H199 PolarHBondContact N-NE2 3.08Å
166H98.7Very high98.6Very high45 Ų4535.1 Ų35.121%0.20817%0.165CC..  trans-8777.4-177-59.9-48.6000111.3C129 F130 G132 A161 D168 V169 V170C129-H166 PolarHBondContact O-CD2 3.07Å; C129-H166 VanDerWaalsContact O-CD2 3.27Å; F130-H166 PolarHBondContact O-NE2 3.45Å; F130-H166 VanDerWaalsContact O-NE2 3.07Å; G132-H166 WeakPolarHBondContact CA-CD2 3.42Å; G132-H166 VanDerWaalsContact CA-CG 3.41Å; G132-H166 VanDerWaalsContact CA-NE2 3.32Å; G132-H166 WeakPolarHBondContact CA-NE2 3.36Å; G132-H166 PolarHBondContact N-NE2 2.96Å; A161-H166 PolarHBondContact O-N 2.92Å; A161-H166 VanDerWaalsContact O-N 3.09Å; H166-D168 VanDerWaalsContact C-N 3.3Å; H166-D168 PolarHBondContact O-N 2.83Å; H166-V169 HydrophobicContact CB-CB 3.92Å; H166-V169 HydrophobicContact CB-CG2 4.03Å; H166-V169 PolarHBondContact O-N 3.35Å; H166-V170 WeakPolarHBondContact O-CG2 3.25Å; H166-V170 PolarHBondContact O-N 3.29Å
167T98.7Very high98.6Very high30 Ų3045.3 Ų45.318%0.18420%0.202CC..Hα-helixtrans-57.4-37.5-172.8-55.90000114G165 V170 R171 D201 I202G165-T167 PolarHBondContact O-N 2.91Å; G165-T167 VanDerWaalsContact O-N 3.08Å; T167-V170 PolarHBondContact O-N 3.14Å; T167-R171 WeakPolarHBondContact O-CG 3.38Å; T167-R171 PolarHBondContact O-N 3.31Å; T167-D201 HydrophobicContact CG2-CB 4.26Å; T167-I202 HydrophobicContact CG2-CG1 4.34Å; T167-I202 WeakPolarHBondContact OG1-CG1 3.46Å
168D98.7Very high98.5Very high69 Ų6945.9 Ų45.937%0.36921%0.207SC..Hα-helixtrans-71.6-38.8179.264.6-22.4000112.4L134 H166 R171 Y172L134-D168 HydrophobicContact CD2-CB 4.04Å; H166-D168 VanDerWaalsContact C-N 3.3Å; H166-D168 PolarHBondContact O-N 2.83Å; D168-R171 PolarHBondContact O-N 3.41Å; D168-Y172 PolarHBondContact O-N 3.38Å
169V98.9Very high98.5Very high0 Ų050.1 Ų50.10%023%0.23CC..Hα-helixtrans-63.5-44.7170.3176.60000110.7C129 L134 V137 A161 H166 Y172 L173C129-V169 HydrophobicContact CB-CG1 4.3Å; L134-V169 HydrophobicContact CB-CG2 4.17Å; L134-V169 HydrophobicContact CD1-CG2 4.32Å; V137-V169 HydrophobicContact CG1-CG1 4.36Å; V137-V169 HydrophobicContact CG2-CG1 4.2Å; V137-V169 HydrophobicContact CG2-CG2 4.46Å; A161-V169 HydrophobicContact CB-CB 4.24Å; A161-V169 HydrophobicContact CB-CG1 3.71Å; H166-V169 HydrophobicContact CB-CB 3.92Å; H166-V169 HydrophobicContact CB-CG2 4.03Å; H166-V169 PolarHBondContact O-N 3.35Å; V169-Y172 PolarHBondContact O-N 3.26Å; V169-L173 HydrophobicContact CG1-CD1 3.9Å; V169-L173 HydrophobicContact CG1-CG 4.25Å; V169-L173 WeakPolarHBondContact O-CB 3.32Å; V169-L173 VanDerWaalsContact O-CG 3.29Å; V169-L173 WeakPolarHBondContact O-CG 3.45Å; V169-L173 PolarHBondContact O-N 3.02Å
170V98.9Very high98.5Very high0 Ų050.7 Ų50.70%023%0.234CC..Hα-helixtrans-57.7-50.5175.7165.70000111.1L158 A161 A162 H166 T167 Y172 L173 L174 I202L158-V170 HydrophobicContact CD1-CB 4.36Å; L158-V170 HydrophobicContact CD1-CG1 3.9Å; L158-V170 HydrophobicContact CD1-CG2 4.3Å; A161-V170 HydrophobicContact CB-CG2 3.81Å; A162-V170 HydrophobicContact CB-CG2 4.31Å; H166-V170 WeakPolarHBondContact O-CG2 3.25Å; H166-V170 PolarHBondContact O-N 3.29Å; T167-V170 PolarHBondContact O-N 3.14Å; V170-Y172 VanDerWaalsContact C-N 3.33Å; V170-Y172 PolarHBondContact O-N 2.81Å; V170-L173 PolarHBondContact O-N 3.04Å; V170-L174 HydrophobicContact CG1-CD1 3.66Å; V170-L174 HydrophobicContact CG1-CG 4.43Å; V170-L174 WeakPolarHBondContact O-CG 3.45Å; V170-L174 PolarHBondContact O-N 3.5Å; V170-I202 HydrophobicContact CG1-CG2 4.19Å; V170-I202 HydrophobicContact CG2-CD1 4.04Å; V170-I202 HydrophobicContact CG2-CG1 4.33Å; V170-I202 HydrophobicContact CG2-CG2 4.13Å
171R98.8Very high98.5Very high115 Ų11552.1 Ų52.143%0.43424%0.241SC..Hα-helixtrans-56-49.1177.7-80.4-174.3-133.5146.53.9111.5T167 D168 L173 L174 E175 E205T167-R171 WeakPolarHBondContact O-CG 3.38Å; T167-R171 PolarHBondContact O-N 3.31Å; D168-R171 PolarHBondContact O-N 3.41Å; R171-L173 PolarHBondContact O-N 3.04Å; R171-L174 PolarHBondContact O-N 3.22Å; R171-E175 VanDerWaalsContact O-CG 3.31Å; R171-E175 WeakPolarHBondContact O-CG 3.48Å; R171-E175 PolarHBondContact O-N 3.48Å; R171-E205 HydrophobicContact CG-CG 3.78Å
172Y98.8Very high98.5Very high20 Ų2053.2 Ų53.28%0.07825%0.251CS..Hα-helixtrans-62.1-44.5179.7177.5-104.1000112.2L134 V137 K138 V141 D168 V169 V170 L174 E175 Q176L134-Y172 HydrophobicContact CD1-CD1 4.25Å; L134-Y172 HydrophobicContact CD1-CG 4Å; V137-Y172 HydrophobicContact CG1-CD1 3.75Å; V137-Y172 HydrophobicContact CG1-CE1 3.94Å; K138-Y172 HydrophobicContact CB-CE1 4.46Å; K138-Y172 HydrophobicContact CD-CD2 4.5Å; K138-Y172 HydrophobicContact CD-CE2 4.38Å; K138-Y172 HydrophobicContact CG-CD1 4.16Å; K138-Y172 HydrophobicContact CG-CD2 4.01Å; K138-Y172 HydrophobicContact CG-CE1 3.87Å; K138-Y172 HydrophobicContact CG-CE2 3.71Å; K138-Y172 HydrophobicContact CG-CG 4.21Å; V141-Y172 HydrophobicContact CB-CE1 4.23Å; V141-Y172 HydrophobicContact CG2-CE1 4.14Å; D168-Y172 PolarHBondContact O-N 3.38Å; V169-Y172 PolarHBondContact O-N 3.26Å; V170-Y172 VanDerWaalsContact C-N 3.33Å; V170-Y172 PolarHBondContact O-N 2.81Å; Y172-L174 VanDerWaalsContact C-N 3.32Å; Y172-L174 PolarHBondContact O-N 3.05Å; Y172-E175 WeakPolarHBondContact O-CB 3.33Å; Y172-E175 PolarHBondContact O-N 3.07Å; Y172-Q176 HydrophobicContact CD1-CG 4.25Å; Y172-Q176 HydrophobicContact CD2-CG 4.31Å; Y172-Q176 HydrophobicContact CE1-CG 3.77Å; Y172-Q176 HydrophobicContact CE2-CG 3.84Å; Y172-Q176 WeakPolarHBondContact O-CG 3.33Å; Y172-Q176 PolarHBondContact O-N 3.22Å
173L98.8Very high98.4Very high0 Ų058.8 Ų58.80%028%0.275CS..Hα-helixtrans-61.1-40.4177.9-71.4174.5000112V137 I147 C157 L158 A161 V169 V170 R171 Q176 R177 A178V137-L173 HydrophobicContact CG1-CD2 4.36Å; I147-L173 HydrophobicContact CG2-CD2 4.15Å; C157-L173 HydrophobicContact CB-CD1 3.96Å; C157-L173 HydrophobicContact CB-CD2 4.4Å; L158-L173 HydrophobicContact CB-CD1 4.38Å; L158-L173 HydrophobicContact CD1-CB 4.28Å; A161-L173 HydrophobicContact CB-CD1 4.27Å; V169-L173 HydrophobicContact CG1-CD1 3.9Å; V169-L173 HydrophobicContact CG1-CG 4.25Å; V169-L173 WeakPolarHBondContact O-CB 3.32Å; V169-L173 VanDerWaalsContact O-CG 3.29Å; V169-L173 WeakPolarHBondContact O-CG 3.45Å; V169-L173 PolarHBondContact O-N 3.02Å; V170-L173 PolarHBondContact O-N 3.04Å; R171-L173 PolarHBondContact O-N 3.04Å; L173-Q176 CarbonylContact O-C 3.42Å; L173-Q176 PolarHBondContact O-N 3.42Å; L173-R177 PolarHBondContact O-N 3.26Å; L173-A178 HydrophobicContact CB-CB 4.03Å; L173-A178 WeakPolarHBondContact O-CB 3.43Å; L173-A178 PolarHBondContact O-N 3.49Å
174L98.7Very high98.4Very high1 Ų153.9 Ų53.91%0.00526%0.256CS..Hα-helixtrans-65.6-41.1175.3-68.9165.3000111.8L158 V170 R171 Y172 Q176 R177 P180 E205 L206 W209L158-L174 HydrophobicContact CD1-CD1 4.45Å; L158-L174 HydrophobicContact CD1-CD2 4.16Å; L158-L174 HydrophobicContact CD1-CG 3.98Å; L158-L174 HydrophobicContact CD2-CD2 3.75Å; L158-L174 HydrophobicContact CD2-CG 4.46Å; V170-L174 HydrophobicContact CG1-CD1 3.66Å; V170-L174 HydrophobicContact CG1-CG 4.43Å; V170-L174 WeakPolarHBondContact O-CG 3.45Å; V170-L174 PolarHBondContact O-N 3.5Å; R171-L174 PolarHBondContact O-N 3.22Å; Y172-L174 VanDerWaalsContact C-N 3.32Å; Y172-L174 PolarHBondContact O-N 3.05Å; L174-Q176 PolarHBondContact O-N 3.3Å; L174-R177 WeakPolarHBondContact O-CA 3.21Å; L174-R177 PolarHBondContact O-N 3.4Å; L174-P180 HydrophobicContact CD2-CB 4.12Å; L174-P180 HydrophobicContact CD2-CG 4.47Å; L174-E205 HydrophobicContact CD1-CG 3.9Å; L174-L206 HydrophobicContact CD1-CD2 4.2Å; L174-L206 HydrophobicContact CD2-CD2 4.33Å; L174-W209 HydrophobicContact CB-CD2 3.91Å; L174-W209 HydrophobicContact CB-CG 4.02Å; L174-W209 HydrophobicContact CB-CZ2 4.31Å; L174-W209 HydrophobicContact CD1-CB 4.31Å; L174-W209 HydrophobicContact CD1-CG 3.93Å; L174-W209 HydrophobicContact CD2-CB 4.02Å; L174-W209 HydrophobicContact CD2-CG 4.11Å; L174-W209 HydrophobicContact CG-CG 4.24Å
175E98.4Very high98.3Very high115 Ų11557 Ų5754%0.53727%0.272SS..Hα-helixtrans-60.1-34.6172.2-71.9167.6-175.600112.2R171 Y172 R177 W209R171-E175 VanDerWaalsContact O-CG 3.31Å; R171-E175 WeakPolarHBondContact O-CG 3.48Å; R171-E175 PolarHBondContact O-N 3.48Å; Y172-E175 WeakPolarHBondContact O-CB 3.33Å; Y172-E175 PolarHBondContact O-N 3.07Å; E175-R177 PolarHBondContact O-N 2.98Å; E175-W209 HydrophobicContact CG-CZ2 4.27Å
176Q98.2Very high98.2Very high82 Ų8258.1 Ų58.138%0.38328%0.276SS..THydrogen-bonded Turntrans-8114.1172.6-59.2-50.6-52.600113.6V141 I147 Y172 L173 L174V141-Q176 HydrophobicContact CG1-CG 4.2Å; I147-Q176 HydrophobicContact CD1-CB 4.27Å; I147-Q176 WeakPolarHBondContact CD1-O 3.45Å; Y172-Q176 HydrophobicContact CD1-CG 4.25Å; Y172-Q176 HydrophobicContact CD2-CG 4.31Å; Y172-Q176 HydrophobicContact CE1-CG 3.77Å; Y172-Q176 HydrophobicContact CE2-CG 3.84Å; Y172-Q176 WeakPolarHBondContact O-CG 3.33Å; Y172-Q176 PolarHBondContact O-N 3.22Å; L173-Q176 CarbonylContact O-C 3.42Å; L173-Q176 PolarHBondContact O-N 3.42Å; L174-Q176 PolarHBondContact O-N 3.3Å
177R96.9Very high98.1Very high229 Ų22956.7 Ų56.786%0.86427%0.273SS*.THydrogen-bonded Turntrans65.632176.9-48.3179.1179.7-176.9-0.3114.4L173 L174 E175 D179L173-R177 PolarHBondContact O-N 3.26Å; L174-R177 WeakPolarHBondContact O-CA 3.21Å; L174-R177 PolarHBondContact O-N 3.4Å; E175-R177 PolarHBondContact O-N 2.98Å; R177-D179 PolarHBondContact O-N 2.95Å
178A98.1Very high98.1Very high13 Ų1355.5 Ų55.511%0.10727%0.266CS..  trans-59.1133.616500000109.8I147 L158 L173 P180I147-A178 HydrophobicContact CD1-CB 4.09Å; L158-A178 HydrophobicContact CB-CB 4.2Å; L158-A178 HydrophobicContact CD2-CB 4.1Å; L173-A178 HydrophobicContact CB-CB 4.03Å; L173-A178 WeakPolarHBondContact O-CB 3.43Å; L173-A178 PolarHBondContact O-N 3.49Å; A178-P180 VanDerWaalsContact O-CD 3.22Å; A178-P180 WeakPolarHBondContact O-CD 3.46Å
179D98.3Very high98.1Very high92 Ų9252.2 Ų52.249%0.49225%0.249SC..  trans-74.6113-179.9179.611000110.9R177 N181 A182R177-D179 PolarHBondContact O-N 2.95Å; D179-N181 PolarHBondContact O-N 3.45Å; D179-N181 WeakPolarHBondContact OD1-CA 3.47Å; D179-N181 WeakPolarHBondContact OD1-CB 3.28Å; D179-N181 PolarHBondContact OD1-N 2.9Å; D179-A182 HydrophobicContact CB-CB 4.32Å; D179-A182 PolarHBondContact O-N 3.24Å; D179-A182 PolarHBondContact OD2-N 3.28Å
180P97.9Very high98.1Very high14 Ų1452.3 Ų52.39%0.09125%0.25CC..THydrogen-bonded Turntrans-69.5-15.5177.130.2-34.9000113.4L158 L174 A178 L206 A211L158-P180 HydrophobicContact CD2-CB 4.25Å; L174-P180 HydrophobicContact CD2-CB 4.12Å; L174-P180 HydrophobicContact CD2-CG 4.47Å; A178-P180 VanDerWaalsContact O-CD 3.22Å; A178-P180 WeakPolarHBondContact O-CD 3.46Å; P180-L206 HydrophobicContact CB-CD2 4.06Å; P180-A211 HydrophobicContact CB-CB 4.03Å
181N98.1Very high98.1Very high58 Ų5852.3 Ų52.331%0.3125%0.25SC..THydrogen-bonded Turntrans-102.21.6-176.6-63.8-53.1000113.7D179 R210 A212D179-N181 PolarHBondContact O-N 3.45Å; D179-N181 WeakPolarHBondContact OD1-CA 3.47Å; D179-N181 WeakPolarHBondContact OD1-CB 3.28Å; D179-N181 PolarHBondContact OD1-N 2.9Å; N181-R210 PolarHBondContact ND2-O 3.22Å; N181-A212 WeakPolarHBondContact OD1-CB 3.33Å; N181-A212 PolarHBondContact OD1-N 3.26Å
182A98.2Very high98.1Very high23 Ų2346.9 Ų46.919%0.1923%0.229CC..  trans-53.9144168.700000109.5T156 M159 D179T156-A182 HydrophobicContact CG2-CB 3.91Å; M159-A182 HydrophobicContact CE-CB 3.93Å; M159-A182 WeakPolarHBondContact CE-O 3.45Å; D179-A182 HydrophobicContact CB-CB 4.32Å; D179-A182 PolarHBondContact O-N 3.24Å; D179-A182 PolarHBondContact OD2-N 3.28Å
183K98.3Very high98.1Very high116 Ų11647.4 Ų47.450%0.50423%0.232SC..  trans-113.4133.3-178.4-65.3-171.9179-169.50110.4A188 T189K183-A188 CarbonylContact C-O 3.55Å; K183-A188 WeakPolarHBondContact CA-O 3.48Å; K183-T189 HydrophobicContact CG-CG2 4.13Å
184A98.1Very high98.1Very high5 Ų547.4 Ų47.44%0.04123%0.232CC..  trans-68.9171.7165.400000110.2N155 M159 C186 G187 A188 F193N155-A184 VanDerWaalsContact OD1-CB 3.25Å; N155-A184 WeakPolarHBondContact OD1-CB 3.49Å; M159-A184 HydrophobicContact CE-CB 4.44Å; M159-A184 HydrophobicContact SD-CB 4.12Å; A184-C186 PolarHBondContact O-N 2.66Å; A184-G187 WeakPolarHBondContact O-CA 3.49Å; A184-G187 PolarHBondContact O-N 3.25Å; A184-A188 PolarHBondContact N-O 2.87Å; A184-F193 HydrophobicContact CB-CE2 4.17Å; A184-F193 HydrophobicContact CB-CZ 4.16Å
185H96.3Very high98.1Very high148 Ų14847.3 Ų47.369%0.68523%0.232SC*.THydrogen-bonded Turntrans-57.5-33.5179.3-178.5-85.6000112.7Y153 G187Y153-H185 WeakPolarHBondContact O-CB 3.37Å; Y153-H185 PolarHBondContact O-N 2.87Å; H185-G187 PolarHBondContact O-N 3.43Å
186C95.4Very high98.1Very high45 Ų4545.3 Ų45.330%0.30422%0.222SC..THydrogen-bonded Turntrans-79.38.2174.160.70000113.9A184 A188 G217A184-C186 PolarHBondContact O-N 2.66Å; C186-A188 PolarHBondContact O-N 3.19Å; C186-A188 VanDerWaalsContact SG-CB 3.54Å; C186-G217 VanDerWaalsContact O-CA 3.3Å; C186-G217 WeakPolarHBondContact O-CA 3.28Å; C186-G217 PolarHBondContact O-N 3.43Å
187G97.7Very high98.1Very high15 Ų1543 Ų4316%0.15522%0.217CC..SBendtrans76.1-3.1-176.800000115.2A184 H185A184-G187 WeakPolarHBondContact O-CA 3.49Å; A184-G187 PolarHBondContact O-N 3.25Å; H185-G187 PolarHBondContact O-N 3.43Å
188A98.4Very high98.2Very high5 Ų533.3 Ų33.34%0.04119%0.188CC..  trans-71.2148.3178.900000112.1K183 A184 C186 H192 F193 N216K183-A188 CarbonylContact C-O 3.55Å; K183-A188 WeakPolarHBondContact CA-O 3.48Å; A184-A188 PolarHBondContact N-O 2.87Å; C186-A188 PolarHBondContact O-N 3.19Å; C186-A188 VanDerWaalsContact SG-CB 3.54Å; A188-H192 HydrophobicContact CB-CB 3.95Å; A188-F193 HydrophobicContact CB-CE1 4.49Å; A188-F193 HydrophobicContact CB-CE2 4Å; A188-F193 HydrophobicContact CB-CZ 3.94Å; A188-N216 HydrophobicContact CB-CB 4.31Å
189T98.6Very high98.2Very high0 Ų035.4 Ų35.40%020%0.196CC..  trans-110.5173.5176.965.40000110.6K183 L191 H192 F193 V214K183-T189 HydrophobicContact CG-CG2 4.13Å; T189-L191 PolarHBondContact O-N 3.04Å; T189-L191 VanDerWaalsContact O-N 3.15Å; T189-L191 PolarHBondContact OG1-N 3.37Å; T189-H192 PolarHBondContact N-ND1 3.4Å; T189-H192 VanDerWaalsContact N-ND1 3.15Å; T189-H192 WeakPolarHBondContact O-CB 3.38Å; T189-H192 PolarHBondContact O-N 3.1Å; T189-H192 PolarHBondContact OG1-ND1 3.21Å; T189-F193 WeakPolarHBondContact O-CD2 3.38Å; T189-F193 PolarHBondContact O-N 3.28Å; T189-V214 HydrophobicContact CG2-CG2 4.13Å
190A98.8Very high98.2Very high2 Ų233.2 Ų33.22%0.01718%0.184CC..Hα-helixtrans-55.1-32.4172.900000112.6L158 M159 A162 F193 A194 L206L158-A190 HydrophobicContact CD2-CB 4.14Å; L158-A190 HydrophobicContact CG-CB 3.88Å; M159-A190 HydrophobicContact CG-CB 4.18Å; A162-A190 HydrophobicContact CB-CB 4.16Å; A190-F193 PolarHBondContact O-N 2.87Å; A190-A194 WeakPolarHBondContact O-CB 3.48Å; A190-A194 PolarHBondContact O-N 2.84Å; A190-L206 HydrophobicContact CB-CD1 4.02Å; A190-L206 HydrophobicContact CB-CD2 3.96Å
191L98.8Very high98.2Very high0 Ų036.9 Ų36.90%020%0.202CC..Hα-helixtrans-68.6-36.1177.3-173.559000112.2T189 A195 V203 L206 I207 A211 I213 P222T189-L191 PolarHBondContact O-N 3.04Å; T189-L191 VanDerWaalsContact O-N 3.15Å; T189-L191 PolarHBondContact OG1-N 3.37Å; L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.46Å; L191-V203 HydrophobicContact CD1-CB 4.33Å; L191-V203 HydrophobicContact CD1-CG1 3.87Å; L191-V203 HydrophobicContact CD1-CG2 4.34Å; L191-L206 HydrophobicContact CB-CD1 4.27Å; L191-L206 HydrophobicContact CD1-CB 4.16Å; L191-L206 HydrophobicContact CD1-CD1 4.28Å; L191-I207 HydrophobicContact CD1-CG1 4.47Å; L191-A211 HydrophobicContact CB-CB 4.25Å; L191-A211 HydrophobicContact CD2-CB 4.05Å; L191-I213 HydrophobicContact CD2-CG1 4.24Å; L191-P222 HydrophobicContact CB-CG 4.18Å; L191-P222 HydrophobicContact CD2-CB 4.23Å; L191-P222 HydrophobicContact CD2-CG 3.85Å; L191-P222 HydrophobicContact CG-CB 3.8Å; L191-P222 HydrophobicContact CG-CG 3.73Å
192H98.8Very high98.3Very high1 Ų134.1 Ų34.11%0.00519%0.187CC..Hα-helixtrans-63.6-49.4173.3-69.283.1000111A188 T189 A194 A195 E196 V214 M220 P222A188-H192 HydrophobicContact CB-CB 3.95Å; T189-H192 PolarHBondContact N-ND1 3.4Å; T189-H192 VanDerWaalsContact N-ND1 3.15Å; T189-H192 WeakPolarHBondContact O-CB 3.38Å; T189-H192 PolarHBondContact O-N 3.1Å; T189-H192 PolarHBondContact OG1-ND1 3.21Å; H192-A194 PolarHBondContact O-N 2.92Å; H192-A195 PolarHBondContact O-N 3.16Å; H192-E196 WeakPolarHBondContact O-CB 3.41Å; H192-E196 PolarHBondContact O-N 3.33Å; H192-V214 PolarHBondContact CE1-O 2.9Å; H192-V214 PolarHBondContact NE2-O 3.17Å; H192-V214 VanDerWaalsContact NE2-O 3.09Å; H192-M220 PolarHBondContact NE2-O 2.95Å; H192-M220 VanDerWaalsContact NE2-O 3.07Å; H192-P222 WeakPolarHBondContact NE2-CD 3.46Å
193F98.8Very high98.3Very high31 Ų3133 Ų3314%0.13618%0.178CC..Hα-helixtrans-64.6-39.9-179.1-68.5-63.5000113.1N155 M159 Y163 A184 A188 T189 A190 A195 A197N155-F193 WeakPolarHBondContact OD1-CZ 3.44Å; M159-F193 HydrophobicContact CB-CD2 3.73Å; M159-F193 HydrophobicContact CB-CE2 3.89Å; M159-F193 HydrophobicContact CG-CD2 3.88Å; M159-F193 HydrophobicContact CG-CE2 3.9Å; M159-F193 HydrophobicContact SD-CE2 4.01Å; Y163-F193 HydrophobicContact CD2-CB 4.21Å; Y163-F193 HydrophobicContact CD2-CD1 4.07Å; A184-F193 HydrophobicContact CB-CE2 4.17Å; A184-F193 HydrophobicContact CB-CZ 4.16Å; A188-F193 HydrophobicContact CB-CE1 4.49Å; A188-F193 HydrophobicContact CB-CE2 4Å; A188-F193 HydrophobicContact CB-CZ 3.94Å; T189-F193 WeakPolarHBondContact O-CD2 3.38Å; T189-F193 PolarHBondContact O-N 3.28Å; A190-F193 PolarHBondContact O-N 2.87Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A197 WeakPolarHBondContact O-CB 3.46Å; F193-A197 PolarHBondContact O-N 3.36Å; F193-A197 VanDerWaalsContact O-N 3.1Å
194A98.9Very high98.3Very high0 Ų032.1 Ų32.10%018%0.175CC..Hα-helixtrans-63.9-38.917400000111.8A162 A190 H192 G198 H199 I202 V203 L206A162-A194 HydrophobicContact CB-CB 4.27Å; A190-A194 WeakPolarHBondContact O-CB 3.48Å; A190-A194 PolarHBondContact O-N 2.84Å; H192-A194 PolarHBondContact O-N 2.92Å; A194-G198 PolarHBondContact O-N 3.3Å; A194-H199 PolarHBondContact O-N 3.12Å; A194-I202 HydrophobicContact CB-CB 4.2Å; A194-I202 HydrophobicContact CB-CG2 3.55Å; A194-V203 HydrophobicContact CB-CG2 3.82Å; A194-L206 HydrophobicContact CB-CD1 4.01Å
195A98.9Very high98.3Very high0 Ų033.1 Ų33.10%018%0.178CC..Hα-helixtrans-69.8-42.3179.300000112.6L191 H192 F193 G198 P222 A226 K231 V234L191-A195 WeakPolarHBondContact O-CB 3.46Å; L191-A195 PolarHBondContact O-N 3.46Å; H192-A195 PolarHBondContact O-N 3.16Å; F193-A195 VanDerWaalsContact C-N 3.31Å; A195-G198 PolarHBondContact O-N 3.03Å; A195-P222 HydrophobicContact CB-CB 4.07Å; A195-P222 WeakPolarHBondContact CB-O 3.39Å; A195-A226 HydrophobicContact CB-CB 4.14Å; A195-K231 WeakPolarHBondContact O-CG 3.45Å; A195-V234 HydrophobicContact CB-CG1 4.05Å
196E98.5Very high98.4Very high73 Ų7326 Ų2634%0.34115%0.146SC..Hα-helixtrans-58.7-47.3173.7-167.6-173.3154.900111.5H192 G198 V225 S229 K231H192-E196 WeakPolarHBondContact O-CB 3.41Å; H192-E196 PolarHBondContact O-N 3.33Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-G198 PolarHBondContact O-N 3.47Å; E196-V225 HydrophobicContact CB-CG1 3.49Å; E196-V225 VanDerWaalsContact CB-CG1 3.49Å; E196-V225 HydrophobicContact CG-CG1 3.98Å; E196-S229 WeakPolarHBondContact O-CB 3.3Å; E196-K231 WeakPolarHBondContact O-CE 3.37Å
197A98.5Very high98.5Very high32 Ų3225.7 Ų25.726%0.26414%0.14SC..Hα-helixtrans-78.3-12.2-17800000113.7Y163 F193 H199Y163-A197 HydrophobicContact CD2-CB 4.28Å; Y163-A197 WeakPolarHBondContact O-CB 3.39Å; F193-A197 WeakPolarHBondContact O-CB 3.46Å; F193-A197 PolarHBondContact O-N 3.36Å; F193-A197 VanDerWaalsContact O-N 3.1Å; A197-H199 WeakPolarHBondContact CB-CD2 3.4Å; A197-H199 WeakPolarHBondContact CB-NE2 3.39Å
198G98.5Very high98.5Very high26 Ų2631.8 Ų31.827%0.26816%0.163SC..THydrogen-bonded Turntrans82.118.5177.600000115.1A194 A195 E196 I200A194-G198 PolarHBondContact O-N 3.3Å; A195-G198 PolarHBondContact O-N 3.03Å; E196-G198 VanDerWaalsContact C-N 3.3Å; E196-G198 PolarHBondContact O-N 3.47Å; G198-I200 PolarHBondContact O-N 3.19Å
199H98.7Very high98.4Very high58 Ų5836.4 Ų36.427%0.26918%0.179SC..  trans-81.878.7-176.2-62.6-52.6000111.7A162 Y163 G165 A194 A197 D201 I202 V203A162-H199 PolarHBondContact O-CD2 2.8Å; Y163-H199 PolarHBondContact O-CD2 2.82Å; Y163-H199 PolarHBondContact O-NE2 2.88Å; G165-H199 VanDerWaalsContact CA-CD2 3.41Å; G165-H199 WeakPolarHBondContact CA-CD2 3.25Å; G165-H199 VanDerWaalsContact CA-CE1 3.41Å; G165-H199 WeakPolarHBondContact CA-CE1 3.5Å; G165-H199 VanDerWaalsContact CA-NE2 3.27Å; G165-H199 WeakPolarHBondContact CA-NE2 3.36Å; G165-H199 PolarHBondContact N-CD2 3.17Å; G165-H199 PolarHBondContact N-NE2 3.08Å; A194-H199 PolarHBondContact O-N 3.12Å; A197-H199 WeakPolarHBondContact CB-CD2 3.4Å; A197-H199 WeakPolarHBondContact CB-NE2 3.39Å; H199-D201 VanDerWaalsContact C-N 3.29Å; H199-D201 PolarHBondContact O-N 3.26Å; H199-I202 HydrophobicContact CB-CB 3.96Å; H199-I202 HydrophobicContact CB-CD1 3.85Å; H199-I202 HydrophobicContact CB-CG1 4.1Å; H199-I202 WeakPolarHBondContact O-CB 3.32Å; H199-I202 PolarHBondContact O-N 3.44Å; H199-V203 PolarHBondContact O-N 3.3Å
200I98.4Very high98.3Very high46 Ų4646.8 Ų46.824%0.23622%0.218CC..Hα-helixtrans-55-38.5-173.5-167.9173.5000114G198 I202 V203 K204 D233 V234 L237G198-I200 PolarHBondContact O-N 3.19Å; I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 PolarHBondContact O-N 3.46Å; I200-V203 WeakPolarHBondContact O-CB 3.42Å; I200-V203 PolarHBondContact O-N 2.85Å; I200-K204 WeakPolarHBondContact O-CG 3.41Å; I200-K204 PolarHBondContact O-N 2.9Å; I200-D233 HydrophobicContact CD1-CB 4.09Å; I200-V234 HydrophobicContact CB-CG2 4.21Å; I200-L237 HydrophobicContact CD1-CB 4.31Å; I200-L237 HydrophobicContact CD1-CD2 4.34Å; I200-L237 HydrophobicContact CG1-CB 4.47Å; I200-L237 HydrophobicContact CG1-CD2 3.7Å
201D98.6Very high98.2Very high90 Ų9047.1 Ų47.148%0.48122%0.221SC..Hα-helixtrans-69.1-32.5179.8-69.8-23.3000112.2T167 H199 K204 E205T167-D201 HydrophobicContact CG2-CB 4.26Å; H199-D201 VanDerWaalsContact C-N 3.29Å; H199-D201 PolarHBondContact O-N 3.26Å; D201-K204 IonicContact OD1-NZ 2.86Å; D201-E205 PolarHBondContact O-N 3.44Å
202I98.9Very high98Very high0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-71.8-41.1174-66.4179.4000110.1A162 T167 V170 A194 H199 I200 K204 E205 L206A162-I202 HydrophobicContact CB-CG2 3.87Å; T167-I202 HydrophobicContact CG2-CG1 4.34Å; T167-I202 WeakPolarHBondContact OG1-CG1 3.46Å; V170-I202 HydrophobicContact CG1-CG2 4.19Å; V170-I202 HydrophobicContact CG2-CD1 4.04Å; V170-I202 HydrophobicContact CG2-CG1 4.33Å; V170-I202 HydrophobicContact CG2-CG2 4.13Å; A194-I202 HydrophobicContact CB-CB 4.2Å; A194-I202 HydrophobicContact CB-CG2 3.55Å; H199-I202 HydrophobicContact CB-CB 3.96Å; H199-I202 HydrophobicContact CB-CD1 3.85Å; H199-I202 HydrophobicContact CB-CG1 4.1Å; H199-I202 WeakPolarHBondContact O-CB 3.32Å; H199-I202 PolarHBondContact O-N 3.44Å; I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 PolarHBondContact O-N 3.46Å; I202-K204 VanDerWaalsContact C-N 3.33Å; I202-K204 PolarHBondContact O-N 3.4Å; I202-E205 PolarHBondContact O-N 3.04Å; I202-L206 HydrophobicContact CG2-CD1 3.8Å; I202-L206 HydrophobicContact CG2-CG 4.25Å; I202-L206 WeakPolarHBondContact O-CB 3.35Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.05Å; I202-L206 PolarHBondContact O-N 3.18Å
203V98.8Very high97.7Very high0 Ų051.3 Ų51.30%025%0.248CC..Hα-helixtrans-57.2-47.5173.7172.80000110.5L191 A194 H199 I200 E205 L206 I207 V234 L237 L238L191-V203 HydrophobicContact CD1-CB 4.33Å; L191-V203 HydrophobicContact CD1-CG1 3.87Å; L191-V203 HydrophobicContact CD1-CG2 4.34Å; A194-V203 HydrophobicContact CB-CG2 3.82Å; H199-V203 PolarHBondContact O-N 3.3Å; I200-V203 WeakPolarHBondContact O-CB 3.42Å; I200-V203 PolarHBondContact O-N 2.85Å; V203-E205 PolarHBondContact O-N 3.4Å; V203-L206 PolarHBondContact O-N 3.45Å; V203-I207 HydrophobicContact CG1-CD1 3.84Å; V203-I207 VanDerWaalsContact O-CG1 3.29Å; V203-I207 WeakPolarHBondContact O-CG1 3.18Å; V203-I207 PolarHBondContact O-N 3.32Å; V203-V234 HydrophobicContact CG1-CG1 4.36Å; V203-V234 HydrophobicContact CG2-CG1 3.99Å; V203-V234 HydrophobicContact CG2-CG2 4.37Å; V203-L237 HydrophobicContact CB-CD2 4.18Å; V203-L237 HydrophobicContact CG1-CD2 3.66Å; V203-L238 HydrophobicContact CG1-CD2 4.08Å; V203-L238 HydrophobicContact CG1-CG 4.36Å
204K98.2Very high97.5Very high98 Ų9852 Ų5243%0.42626%0.255SS..Hα-helixtrans-59.1-45.4175.9-71.8172.4-176.4162.80112.2I200 D201 I202 I207 K208 L237I200-K204 WeakPolarHBondContact O-CG 3.41Å; I200-K204 PolarHBondContact O-N 2.9Å; D201-K204 IonicContact OD1-NZ 2.86Å; I202-K204 VanDerWaalsContact C-N 3.33Å; I202-K204 PolarHBondContact O-N 3.4Å; K204-I207 PolarHBondContact O-N 3.3Å; K204-K208 WeakPolarHBondContact O-CB 3.38Å; K204-K208 PolarHBondContact O-N 3.34Å; K204-L237 HydrophobicContact CG-CD1 4.17Å; K204-L237 HydrophobicContact CG-CD2 3.58Å
205E98.3Very high97.4Very high25 Ų2555.9 Ų55.912%0.11728%0.278CS..Hα-helixtrans-65.2-45.5179.3-165.165.1-147.200110.9R171 L174 D201 I202 V203 I207 K208 W209R171-E205 HydrophobicContact CG-CG 3.78Å; L174-E205 HydrophobicContact CD1-CG 3.9Å; D201-E205 PolarHBondContact O-N 3.44Å; I202-E205 PolarHBondContact O-N 3.04Å; V203-E205 PolarHBondContact O-N 3.4Å; E205-I207 VanDerWaalsContact C-N 3.35Å; E205-I207 PolarHBondContact O-N 3Å; E205-K208 WeakPolarHBondContact O-CB 3.14Å; E205-K208 PolarHBondContact O-N 2.74Å; E205-K208 VanDerWaalsContact O-N 3.15Å; E205-K208 IonicContact OE1-NZ 2.7Å; E205-K208 PolarHBondContact OE1-NZ 3.43Å; E205-K208 IonicContact OE2-NZ 3.76Å; E205-K208 PolarHBondContact OE2-NZ 2.87Å; E205-W209 PolarHBondContact O-N 2.73Å; E205-W209 PolarHBondContact OE1-NE1 2.86Å
206L98.6Very high97.3Very high0 Ų056.7 Ų56.70%028%0.283CS..Hα-helixtrans-59.6-42.9177.5-72.5170.1000112.3L158 L174 P180 A190 L191 A194 I202 V203 W209 R210 A211L158-L206 HydrophobicContact CD1-CD2 4.38Å; L158-L206 HydrophobicContact CD2-CD2 4.23Å; L158-L206 HydrophobicContact CG-CD2 4.49Å; L174-L206 HydrophobicContact CD1-CD2 4.2Å; L174-L206 HydrophobicContact CD2-CD2 4.33Å; P180-L206 HydrophobicContact CB-CD2 4.06Å; A190-L206 HydrophobicContact CB-CD1 4.02Å; A190-L206 HydrophobicContact CB-CD2 3.96Å; L191-L206 HydrophobicContact CB-CD1 4.27Å; L191-L206 HydrophobicContact CD1-CB 4.16Å; L191-L206 HydrophobicContact CD1-CD1 4.28Å; A194-L206 HydrophobicContact CB-CD1 4.01Å; I202-L206 HydrophobicContact CG2-CD1 3.8Å; I202-L206 HydrophobicContact CG2-CG 4.25Å; I202-L206 WeakPolarHBondContact O-CB 3.35Å; I202-L206 VanDerWaalsContact O-CG 3.29Å; I202-L206 WeakPolarHBondContact O-CG 3.05Å; I202-L206 PolarHBondContact O-N 3.18Å; V203-L206 PolarHBondContact O-N 3.45Å; L206-W209 CarbonylContact O-C 3.34Å; L206-W209 WeakPolarHBondContact O-CA 3.34Å; L206-W209 PolarHBondContact O-N 2.63Å; L206-W209 VanDerWaalsContact O-N 3.13Å; L206-R210 PolarHBondContact O-N 3.38Å; L206-A211 HydrophobicContact CB-CB 3.85Å; L206-A211 WeakPolarHBondContact O-CB 3.39Å; L206-A211 PolarHBondContact O-N 2.78Å
207I97.1Very high97.1Very high37 Ų3756.1 Ų56.119%0.1930%0.296CS..Hα-helixtrans-61.3-45.3174.8-70166.7000111L191 V203 K204 E205 W209 R210 L238 H241L191-I207 HydrophobicContact CD1-CG1 4.47Å; V203-I207 HydrophobicContact CG1-CD1 3.84Å; V203-I207 VanDerWaalsContact O-CG1 3.29Å; V203-I207 WeakPolarHBondContact O-CG1 3.18Å; V203-I207 PolarHBondContact O-N 3.32Å; K204-I207 PolarHBondContact O-N 3.3Å; E205-I207 VanDerWaalsContact C-N 3.35Å; E205-I207 PolarHBondContact O-N 3Å; I207-W209 PolarHBondContact O-N 2.88Å; I207-R210 WeakPolarHBondContact O-CA 3.37Å; I207-R210 PolarHBondContact O-N 3.19Å; I207-L238 HydrophobicContact CD1-CD2 3.75Å; I207-H241 WeakPolarHBondContact CG2-NE2 3.37Å
208K96.5Very high96.8Very high144 Ų14458.4 Ų58.463%0.62630%0.301SS*.Hα-helixtrans-57.2-33.6174.9170.9-175.2162.9-1480111.9K204 E205 R210K204-K208 WeakPolarHBondContact O-CB 3.38Å; K204-K208 PolarHBondContact O-N 3.34Å; E205-K208 WeakPolarHBondContact O-CB 3.14Å; E205-K208 PolarHBondContact O-N 2.74Å; E205-K208 VanDerWaalsContact O-N 3.15Å; E205-K208 IonicContact OE1-NZ 2.7Å; E205-K208 PolarHBondContact OE1-NZ 3.43Å; E205-K208 IonicContact OE2-NZ 3.76Å; E205-K208 PolarHBondContact OE2-NZ 2.87Å; K208-R210 VanDerWaalsContact C-N 3.28Å; K208-R210 PolarHBondContact O-N 3.3Å
209W97.5Very high96.6Very high101 Ų10159.4 Ų59.438%0.38331%0.311SS..THydrogen-bonded Turntrans-88.319.6174-72.894.1000114.3L174 E175 E205 L206 I207 A211L174-W209 HydrophobicContact CB-CD2 3.91Å; L174-W209 HydrophobicContact CB-CG 4.02Å; L174-W209 HydrophobicContact CB-CZ2 4.31Å; L174-W209 HydrophobicContact CD1-CB 4.31Å; L174-W209 HydrophobicContact CD1-CG 3.93Å; L174-W209 HydrophobicContact CD2-CB 4.02Å; L174-W209 HydrophobicContact CD2-CG 4.11Å; L174-W209 HydrophobicContact CG-CG 4.24Å; E175-W209 HydrophobicContact CG-CZ2 4.27Å; E205-W209 PolarHBondContact O-N 2.73Å; E205-W209 PolarHBondContact OE1-NE1 2.86Å; L206-W209 CarbonylContact O-C 3.34Å; L206-W209 WeakPolarHBondContact O-CA 3.34Å; L206-W209 PolarHBondContact O-N 2.63Å; L206-W209 VanDerWaalsContact O-N 3.13Å; I207-W209 PolarHBondContact O-N 2.88Å; W209-A211 VanDerWaalsContact C-N 3.34Å; W209-A211 PolarHBondContact O-N 2.94Å
210R95.5Very high96.5Very high218 Ų21856.8 Ų56.882%0.82330%0.299SS*.THydrogen-bonded Turntrans60.337.9176-51.5-178.2179.1-163.9-1.7113.7N181 L206 I207 K208 A212N181-R210 PolarHBondContact ND2-O 3.22Å; L206-R210 PolarHBondContact O-N 3.38Å; I207-R210 WeakPolarHBondContact O-CA 3.37Å; I207-R210 PolarHBondContact O-N 3.19Å; K208-R210 VanDerWaalsContact C-N 3.28Å; K208-R210 PolarHBondContact O-N 3.3Å; R210-A212 PolarHBondContact O-N 3.49Å
211A96.9Very high96.5Very high9 Ų955.9 Ų55.97%0.07430%0.296CS..  trans-62126.8165.200000109.8P180 L191 L206 W209P180-A211 HydrophobicContact CB-CB 4.03Å; L191-A211 HydrophobicContact CB-CB 4.25Å; L191-A211 HydrophobicContact CD2-CB 4.05Å; L206-A211 HydrophobicContact CB-CB 3.85Å; L206-A211 WeakPolarHBondContact O-CB 3.39Å; L206-A211 PolarHBondContact O-N 2.78Å; W209-A211 VanDerWaalsContact C-N 3.34Å; W209-A211 PolarHBondContact O-N 2.94Å
212A94.1Very high96.5Very high39 Ų3951.6 Ų51.632%0.32227%0.273SS..  trans-80.5138.2-177.400000111.3N181 R210 V214N181-A212 WeakPolarHBondContact OD1-CB 3.33Å; N181-A212 PolarHBondContact OD1-N 3.26Å; R210-A212 PolarHBondContact O-N 3.49Å; A212-V214 HydrophobicContact CB-CG1 3.79Å; A212-V214 PolarHBondContact O-N 3.32Å; A212-V214 VanDerWaalsContact O-N 3.12Å
213I93.7Very high96.4Very high50 Ų5052 Ų5226%0.25628%0.275SS..  trans-82.784.7172.1-56.2179.4000107.8L191 L238 H241L191-I213 HydrophobicContact CD2-CG1 4.24Å; I213-L238 HydrophobicContact CD1-CD2 4.45Å; I213-H241 HydrophobicContact CD1-CB 4.43Å; I213-H241 WeakPolarHBondContact CD1-ND1 3.44Å
214V95Very high96.4Very high46 Ų4653.6 Ų53.628%0.27928%0.282SS..  trans-112.4163.3-178.8-62.40000111.3T189 H192 A212 P222T189-V214 HydrophobicContact CG2-CG2 4.13Å; H192-V214 PolarHBondContact CE1-O 2.9Å; H192-V214 PolarHBondContact NE2-O 3.17Å; H192-V214 VanDerWaalsContact NE2-O 3.09Å; A212-V214 HydrophobicContact CB-CG1 3.79Å; A212-V214 PolarHBondContact O-N 3.32Å; A212-V214 VanDerWaalsContact O-N 3.12Å; V214-P222 WeakPolarHBondContact O-CD 3.48Å
215V95.8Very high96.4Very high81 Ų8149.4 Ų49.449%0.49127%0.265SS..  trans-80.1141.6170.8-650000111.9M220 T221V215-M220 CarbonylContact C-O 3.57Å; V215-M220 VanDerWaalsContact CA-O 3.31Å; V215-M220 WeakPolarHBondContact CA-O 3.19Å; V215-T221 HydrophobicContact CG1-CG2 3.75Å
216N96.7Very high96.4Very high18 Ų1848.2 Ų48.210%0.09626%0.259CS..  trans-79.8-177.3167.370.89.7000111.4A188 H218 G219 M220A188-N216 HydrophobicContact CB-CB 4.31Å; N216-H218 PolarHBondContact O-N 2.89Å; N216-H218 VanDerWaalsContact O-N 3.13Å; N216-H218 WeakPolarHBondContact OD1-CA 3.36Å; N216-H218 WeakPolarHBondContact OD1-CB 3.38Å; N216-H218 PolarHBondContact OD1-N 2.9Å; N216-G219 PolarHBondContact O-N 2.89Å; N216-G219 PolarHBondContact OD1-N 3.12Å; N216-M220 PolarHBondContact N-O 3.29Å; N216-M220 PolarHBondContact OD1-N 3.43Å; N216-M220 PolarHBondContact OD1-O 2.84Å
217G94.7Very high96.5Very high60 Ų6048.2 Ų48.262%0.61926%0.259SS*.THydrogen-bonded Turntrans-67.1-6.6178.700000114.9C186C186-G217 VanDerWaalsContact O-CA 3.3Å; C186-G217 WeakPolarHBondContact O-CA 3.28Å; C186-G217 PolarHBondContact O-N 3.43Å
218H92.5Very high96.5Very high81 Ų8147.6 Ų47.638%0.37526%0.255SS..THydrogen-bonded Turntrans-1027.2173.6-52.4-56.8000112.3N216 M220 N340N216-H218 PolarHBondContact O-N 2.89Å; N216-H218 VanDerWaalsContact O-N 3.13Å; N216-H218 WeakPolarHBondContact OD1-CA 3.36Å; N216-H218 WeakPolarHBondContact OD1-CB 3.38Å; N216-H218 PolarHBondContact OD1-N 2.9Å; H218-M220 VanDerWaalsContact C-N 3.29Å; H218-M220 PolarHBondContact O-N 2.65Å; H218-N340 PolarHBondContact O-ND2 3.02Å
219G94.5Very high96.6Very high46 Ų4642.2 Ų42.247%0.47424%0.236SC..SBendtrans76.813.2-179.200000114.1N216N216-G219 PolarHBondContact O-N 2.89Å; N216-G219 PolarHBondContact OD1-N 3.12Å
220M96.7Very high96.6Very high4 Ų437.8 Ų37.82%0.0222%0.22CC..  trans-102.4134-177.1-60.6-179.473.900111.3H192 V215 N216 H218 K224 V225 E228 L336 D342H192-M220 PolarHBondContact NE2-O 2.95Å; H192-M220 VanDerWaalsContact NE2-O 3.07Å; V215-M220 CarbonylContact C-O 3.57Å; V215-M220 VanDerWaalsContact CA-O 3.31Å; V215-M220 WeakPolarHBondContact CA-O 3.19Å; N216-M220 PolarHBondContact N-O 3.29Å; N216-M220 PolarHBondContact OD1-N 3.43Å; N216-M220 PolarHBondContact OD1-O 2.84Å; H218-M220 VanDerWaalsContact C-N 3.29Å; H218-M220 PolarHBondContact O-N 2.65Å; M220-K224 HydrophobicContact CB-CB 4.11Å; M220-K224 HydrophobicContact CE-CB 4.03Å; M220-K224 WeakPolarHBondContact CE-O 3.28Å; M220-K224 HydrophobicContact CG-CB 4.46Å; M220-V225 HydrophobicContact CB-CG2 3.77Å; M220-V225 HydrophobicContact CE-CB 4.5Å; M220-V225 HydrophobicContact CE-CG2 4Å; M220-V225 HydrophobicContact SD-CG2 4.29Å; M220-E228 HydrophobicContact CE-CB 3.71Å; M220-E228 HydrophobicContact CE-CG 4.25Å; M220-L336 HydrophobicContact CE-CD2 4.12Å; M220-L336 HydrophobicContact CG-CD2 4.28Å; M220-L336 HydrophobicContact SD-CD2 4.43Å; M220-D342 VanDerWaalsContact SD-OD2 3.39Å
221T97.3Very high96.8Very high27 Ų2730 Ų3017%0.16619%0.193CC..  trans-79.2165.3165.762.30000110.3V215 L223 K224 V225V215-T221 HydrophobicContact CG1-CG2 3.75Å; T221-L223 PolarHBondContact O-N 2.86Å; T221-L223 VanDerWaalsContact O-N 3.15Å; T221-K224 PolarHBondContact O-N 3.45Å; T221-K224 PolarHBondContact OG1-N 2.86Å; T221-V225 WeakPolarHBondContact O-CG2 3.4Å; T221-V225 PolarHBondContact O-N 2.94Å
222P98.4Very high96.8Very high0 Ų030 Ų300%019%0.193CC..Hα-helixtrans-55.1-32.2171.8-26.334.4000113.2L191 H192 A195 V214 V225 A226 L238L191-P222 HydrophobicContact CB-CG 4.18Å; L191-P222 HydrophobicContact CD2-CB 4.23Å; L191-P222 HydrophobicContact CD2-CG 3.85Å; L191-P222 HydrophobicContact CG-CB 3.8Å; L191-P222 HydrophobicContact CG-CG 3.73Å; H192-P222 WeakPolarHBondContact NE2-CD 3.46Å; A195-P222 HydrophobicContact CB-CB 4.07Å; A195-P222 WeakPolarHBondContact CB-O 3.39Å; V214-P222 WeakPolarHBondContact O-CD 3.48Å; P222-V225 PolarHBondContact O-N 3.17Å; P222-A226 WeakPolarHBondContact O-CB 3.39Å; P222-A226 PolarHBondContact O-N 3.13Å; P222-L238 HydrophobicContact CB-CD1 4.36Å
223L98.4Very high97Very high7 Ų733.3 Ų33.34%0.03721%0.205CC..Hα-helixtrans-65.7-46.3174.6175.263.2000111.8T221 V225 A226 A227 V235 L238 L239 A252T221-L223 PolarHBondContact O-N 2.86Å; T221-L223 VanDerWaalsContact O-N 3.15Å; L223-V225 VanDerWaalsContact C-N 3.33Å; L223-V225 PolarHBondContact O-N 3.02Å; L223-A226 PolarHBondContact O-N 3.47Å; L223-A227 WeakPolarHBondContact O-CB 3.48Å; L223-A227 PolarHBondContact O-N 3.17Å; L223-V235 HydrophobicContact CD1-CB 4.39Å; L223-V235 HydrophobicContact CD1-CG1 4Å; L223-V235 HydrophobicContact CD1-CG2 4.47Å; L223-L238 HydrophobicContact CB-CB 4.39Å; L223-L238 HydrophobicContact CB-CD1 4.13Å; L223-L238 HydrophobicContact CD1-CB 3.75Å; L223-L238 HydrophobicContact CD1-CD1 4.46Å; L223-L239 HydrophobicContact CD1-CD2 4.03Å; L223-L239 HydrophobicContact CD1-CG 4.43Å; L223-L239 HydrophobicContact CD2-CD2 4.08Å; L223-A252 HydrophobicContact CD1-CB 3.66Å; L223-A252 HydrophobicContact CD2-CB 3.67Å; L223-A252 HydrophobicContact CG-CB 3.49Å; L223-A252 VanDerWaalsContact CG-CB 3.49Å
224K98.3Very high97.3Very high34 Ų3431 Ų3115%0.14819%0.193CC..Hα-helixtrans-64.3-38.1174.8-73.9-172.1173.9-171.90111.7M220 T221 A227 E228 E251 L255 I335M220-K224 HydrophobicContact CB-CB 4.11Å; M220-K224 HydrophobicContact CE-CB 4.03Å; M220-K224 WeakPolarHBondContact CE-O 3.28Å; M220-K224 HydrophobicContact CG-CB 4.46Å; T221-K224 PolarHBondContact O-N 3.45Å; T221-K224 PolarHBondContact OG1-N 2.86Å; K224-A227 PolarHBondContact O-N 3.04Å; K224-E228 WeakPolarHBondContact O-CB 3.41Å; K224-E228 PolarHBondContact O-N 3.32Å; K224-E251 WeakPolarHBondContact CE-OE2 3.47Å; K224-E251 IonicContact NZ-OE2 2.83Å; K224-E251 PolarHBondContact NZ-OE2 3.16Å; K224-L255 HydrophobicContact CB-CD2 4.2Å; K224-L255 HydrophobicContact CG-CD2 4.4Å; K224-I335 PolarHBondContact NZ-O 3.13Å
225V98.5Very high97.5Very high11 Ų1128.8 Ų28.87%0.06718%0.179CC..Hα-helixtrans-63.9-46176.3171.40000111.4E196 M220 T221 P222 L223 A227 E228 S229E196-V225 HydrophobicContact CB-CG1 3.49Å; E196-V225 VanDerWaalsContact CB-CG1 3.49Å; E196-V225 HydrophobicContact CG-CG1 3.98Å; M220-V225 HydrophobicContact CB-CG2 3.77Å; M220-V225 HydrophobicContact CE-CB 4.5Å; M220-V225 HydrophobicContact CE-CG2 4Å; M220-V225 HydrophobicContact SD-CG2 4.29Å; T221-V225 WeakPolarHBondContact O-CG2 3.4Å; T221-V225 PolarHBondContact O-N 2.94Å; P222-V225 PolarHBondContact O-N 3.17Å; L223-V225 VanDerWaalsContact C-N 3.33Å; L223-V225 PolarHBondContact O-N 3.02Å; V225-A227 VanDerWaalsContact C-N 3.3Å; V225-A227 PolarHBondContact O-N 3.09Å; V225-E228 PolarHBondContact O-N 3.44Å; V225-S229 WeakPolarHBondContact O-CB 3.23Å; V225-S229 PolarHBondContact O-N 3.33Å; V225-S229 PolarHBondContact O-OG 3.35Å; V225-S229 VanDerWaalsContact O-OG 3.13Å
226A98.7Very high97.5Very high0 Ų029.5 Ų29.50%018%0.178CC..Hα-helixtrans-59.5-41.9174.300000112.1A195 P222 L223 S229 C230 K231 V234 V235A195-A226 HydrophobicContact CB-CB 4.14Å; P222-A226 WeakPolarHBondContact O-CB 3.39Å; P222-A226 PolarHBondContact O-N 3.13Å; L223-A226 PolarHBondContact O-N 3.47Å; A226-S229 CarbonylContact O-C 3.53Å; A226-S229 PolarHBondContact O-N 3.04Å; A226-C230 PolarHBondContact O-N 3.28Å; A226-K231 HydrophobicContact CB-CB 4.24Å; A226-K231 PolarHBondContact O-N 3.35Å; A226-V234 HydrophobicContact CB-CB 4.06Å; A226-V234 HydrophobicContact CB-CG1 3.69Å; A226-V235 HydrophobicContact CB-CG2 3.73Å
227A98.8Very high97.6Very high0 Ų030.5 Ų30.50%018%0.183CC..Hα-helixtrans-63.9-48.617800000112.1L223 K224 V225 S229 C230 V235 A252 L255 L256 S259L223-A227 WeakPolarHBondContact O-CB 3.48Å; L223-A227 PolarHBondContact O-N 3.17Å; K224-A227 PolarHBondContact O-N 3.04Å; V225-A227 VanDerWaalsContact C-N 3.3Å; V225-A227 PolarHBondContact O-N 3.09Å; A227-S229 PolarHBondContact O-N 2.9Å; A227-C230 PolarHBondContact O-N 3.04Å; A227-V235 HydrophobicContact CB-CG2 3.99Å; A227-A252 WeakPolarHBondContact CB-O 3.39Å; A227-L255 HydrophobicContact CB-CB 4.04Å; A227-L255 HydrophobicContact CB-CD2 4.1Å; A227-L255 HydrophobicContact CB-CG 4.11Å; A227-L256 HydrophobicContact CB-CB 4.1Å; A227-S259 WeakPolarHBondContact O-CB 3.23Å; A227-S259 PolarHBondContact O-OG 3.2Å
228E98.2Very high97.7Very high23 Ų2327.8 Ų27.811%0.10715%0.154CC..Hα-helixtrans-62.3-32.2177.5-174.256.8-142.900112.3M220 K224 V225 C230 L255 S259 R332 D342M220-E228 HydrophobicContact CE-CB 3.71Å; M220-E228 HydrophobicContact CE-CG 4.25Å; K224-E228 WeakPolarHBondContact O-CB 3.41Å; K224-E228 PolarHBondContact O-N 3.32Å; V225-E228 PolarHBondContact O-N 3.44Å; E228-C230 VanDerWaalsContact C-N 3.31Å; E228-C230 PolarHBondContact O-N 3.16Å; E228-L255 HydrophobicContact CB-CD2 4.36Å; E228-L255 WeakPolarHBondContact OE2-CD1 3.44Å; E228-S259 WeakPolarHBondContact CA-OG 3.37Å; E228-S259 PolarHBondContact OE2-OG 2.91Å; E228-R332 IonicContact OE1-CZ 2.79Å; E228-R332 VanDerWaalsContact OE1-CZ 3.27Å; E228-R332 IonicContact OE1-NE 3.54Å; E228-R332 PolarHBondContact OE1-NE 3.16Å; E228-R332 IonicContact OE1-NH2 3.3Å; E228-R332 PolarHBondContact OE1-NH2 3.21Å; E228-R332 IonicContact OE2-CZ 2.76Å; E228-R332 IonicContact OE2-NE 3.65Å; E228-R332 PolarHBondContact OE2-NE 2.96Å; E228-R332 IonicContact OE2-NH2 3.69Å; E228-D342 HydrophobicContact CG-CB 4.23Å
229S98Very high97.9Very high31 Ų3125 Ų2522%0.21714%0.141CC..THydrogen-bonded Turntrans-89.414.1179.4-610000114.3E196 V225 A226 A227 K231E196-S229 WeakPolarHBondContact O-CB 3.3Å; V225-S229 WeakPolarHBondContact O-CB 3.23Å; V225-S229 PolarHBondContact O-N 3.33Å; V225-S229 PolarHBondContact O-OG 3.35Å; V225-S229 VanDerWaalsContact O-OG 3.13Å; A226-S229 CarbonylContact O-C 3.53Å; A226-S229 PolarHBondContact O-N 3.04Å; A227-S229 PolarHBondContact O-N 2.9Å; S229-K231 VanDerWaalsContact O-CD 3.25Å; S229-K231 WeakPolarHBondContact O-CD 3.11Å; S229-K231 WeakPolarHBondContact O-CE 3.49Å; S229-K231 WeakPolarHBondContact O-CG 3.21Å; S229-K231 PolarHBondContact O-N 2.9Å; S229-K231 PolarHBondContact O-NZ 3.01Å
230C98.5Very high97.7Very high8 Ų827.3 Ų27.35%0.05415%0.15CC..THydrogen-bonded Turntrans57.926.2179.9-62.60000114.8A226 A227 E228 A232 S259 F260 N266A226-C230 PolarHBondContact O-N 3.28Å; A227-C230 PolarHBondContact O-N 3.04Å; E228-C230 VanDerWaalsContact C-N 3.31Å; E228-C230 PolarHBondContact O-N 3.16Å; C230-A232 VanDerWaalsContact C-N 3.34Å; C230-A232 PolarHBondContact O-N 3.09Å; C230-A232 VanDerWaalsContact O-N 3.09Å; C230-S259 VanDerWaalsContact SG-C 3.54Å; C230-S259 VanDerWaalsContact SG-CB 3.53Å; C230-F260 HydrophobicContact CB-CD1 4.18Å; C230-F260 HydrophobicContact CB-CE1 3.78Å; C230-F260 HydrophobicContact CB-CZ 4.01Å; C230-N266 HydrophobicContact CB-CB 3.69Å
231K98.5Very high97.4Very high56 Ų5629.2 Ų29.224%0.24316%0.159CC..  trans-88.668.2-176.7-52.6-48.8-178.9-155.60111.8A195 E196 A226 S229 D233 V234 V235A195-K231 WeakPolarHBondContact O-CG 3.45Å; E196-K231 WeakPolarHBondContact O-CE 3.37Å; A226-K231 HydrophobicContact CB-CB 4.24Å; A226-K231 PolarHBondContact O-N 3.35Å; S229-K231 VanDerWaalsContact O-CD 3.25Å; S229-K231 WeakPolarHBondContact O-CD 3.11Å; S229-K231 WeakPolarHBondContact O-CE 3.49Å; S229-K231 WeakPolarHBondContact O-CG 3.21Å; S229-K231 PolarHBondContact O-N 2.9Å; S229-K231 PolarHBondContact O-NZ 3.01Å; K231-D233 PolarHBondContact O-N 2.91Å; K231-V234 HydrophobicContact CB-CB 4.15Å; K231-V234 HydrophobicContact CB-CG2 4.33Å; K231-V234 PolarHBondContact O-N 3.41Å; K231-V235 PolarHBondContact O-N 2.95Å
232A98.6Very high96.9Very high9 Ų932.6 Ų32.67%0.07419%0.19CC..Hα-helixtrans-45.3-52.3-177.300000114C230 V234 V235 E236 L256 F260 Y275C230-A232 VanDerWaalsContact C-N 3.34Å; C230-A232 PolarHBondContact O-N 3.09Å; C230-A232 VanDerWaalsContact O-N 3.09Å; A232-V234 VanDerWaalsContact C-N 3.26Å; A232-V234 PolarHBondContact O-N 2.89Å; A232-V235 WeakPolarHBondContact O-CA 3.47Å; A232-V235 WeakPolarHBondContact O-CB 3.4Å; A232-V235 PolarHBondContact O-N 3.44Å; A232-E236 WeakPolarHBondContact O-CG 3.44Å; A232-E236 PolarHBondContact O-N 3.16Å; A232-L256 HydrophobicContact CB-CD2 4.27Å; A232-F260 HydrophobicContact CB-CZ 4.37Å; A232-Y275 HydrophobicContact CB-CE2 4.44Å; A232-Y275 VanDerWaalsContact CB-OH 3.27Å; A232-Y275 WeakPolarHBondContact CB-OH 3.4Å
233D98.2Very high96.3Very high107 Ų10738.6 Ų38.657%0.57222%0.222SC*.Hα-helixtrans-61.9-34.1-177.2-54.5-7.1000112.7I200 K231 L237I200-D233 HydrophobicContact CD1-CB 4.09Å; K231-D233 PolarHBondContact O-N 2.91Å; D233-L237 WeakPolarHBondContact O-CB 3.12Å; D233-L237 PolarHBondContact O-N 3.06Å; D233-L237 VanDerWaalsContact O-N 3.08Å
234V98.7Very high96Very high1 Ų139 Ų391%0.00623%0.225CC..Hα-helixtrans-74-40.1175.4175.60000110.9A195 I200 V203 A226 K231 A232 L237 L238A195-V234 HydrophobicContact CB-CG1 4.05Å; I200-V234 HydrophobicContact CB-CG2 4.21Å; V203-V234 HydrophobicContact CG1-CG1 4.36Å; V203-V234 HydrophobicContact CG2-CG1 3.99Å; V203-V234 HydrophobicContact CG2-CG2 4.37Å; A226-V234 HydrophobicContact CB-CB 4.06Å; A226-V234 HydrophobicContact CB-CG1 3.69Å; K231-V234 HydrophobicContact CB-CB 4.15Å; K231-V234 HydrophobicContact CB-CG2 4.33Å; K231-V234 PolarHBondContact O-N 3.41Å; A232-V234 VanDerWaalsContact C-N 3.26Å; A232-V234 PolarHBondContact O-N 2.89Å; V234-L237 PolarHBondContact O-N 3.21Å; V234-L238 HydrophobicContact CG1-CD1 3.87Å; V234-L238 HydrophobicContact CG1-CG 4.31Å; V234-L238 WeakPolarHBondContact O-CB 3.37Å; V234-L238 WeakPolarHBondContact O-CG 3.5Å; V234-L238 PolarHBondContact O-N 3.45Å
235V98.7Very high95.8Very high0 Ų041.6 Ų41.60%024%0.241CC..Hα-helixtrans-57.6-53.9173.1172.30000109.2L223 A226 A227 K231 A232 L237 L238 L239 A252 L256L223-V235 HydrophobicContact CD1-CB 4.39Å; L223-V235 HydrophobicContact CD1-CG1 4Å; L223-V235 HydrophobicContact CD1-CG2 4.47Å; A226-V235 HydrophobicContact CB-CG2 3.73Å; A227-V235 HydrophobicContact CB-CG2 3.99Å; K231-V235 PolarHBondContact O-N 2.95Å; A232-V235 WeakPolarHBondContact O-CA 3.47Å; A232-V235 WeakPolarHBondContact O-CB 3.4Å; A232-V235 PolarHBondContact O-N 3.44Å; V235-L237 VanDerWaalsContact C-N 3.3Å; V235-L237 PolarHBondContact O-N 2.73Å; V235-L238 CarbonylContact O-C 3.58Å; V235-L238 PolarHBondContact O-N 3.32Å; V235-L239 HydrophobicContact CG1-CD1 3.97Å; V235-L239 HydrophobicContact CG1-CG 3.98Å; V235-L239 VanDerWaalsContact O-CG 3.25Å; V235-L239 WeakPolarHBondContact O-CG 3.3Å; V235-L239 PolarHBondContact O-N 3.28Å; V235-A252 HydrophobicContact CG1-CB 4.45Å; V235-L256 HydrophobicContact CB-CD2 4.05Å; V235-L256 HydrophobicContact CG1-CD2 3.97Å; V235-L256 HydrophobicContact CG2-CD1 4.39Å; V235-L256 HydrophobicContact CG2-CD2 4.16Å
236E97.5Very high95.5Very high97 Ų9743.4 Ų43.445%0.45325%0.246SC..Hα-helixtrans-56.8-41.5-179.9-70.9171.8-165.500112.4A232 S240 Y275A232-E236 WeakPolarHBondContact O-CG 3.44Å; A232-E236 PolarHBondContact O-N 3.16Å; E236-S240 PolarHBondContact O-N 2.89Å; E236-Y275 PolarHBondContact OE1-OH 3.27Å
237L97.1Very high95.3Very high39 Ų3950.2 Ų50.220%0.20427%0.272CS..Hα-helixtrans-59.6-50.9172.2176.267.6000111.8I200 V203 K204 D233 V234 V235 L239 S240I200-L237 HydrophobicContact CD1-CB 4.31Å; I200-L237 HydrophobicContact CD1-CD2 4.34Å; I200-L237 HydrophobicContact CG1-CB 4.47Å; I200-L237 HydrophobicContact CG1-CD2 3.7Å; V203-L237 HydrophobicContact CB-CD2 4.18Å; V203-L237 HydrophobicContact CG1-CD2 3.66Å; K204-L237 HydrophobicContact CG-CD1 4.17Å; K204-L237 HydrophobicContact CG-CD2 3.58Å; D233-L237 WeakPolarHBondContact O-CB 3.12Å; D233-L237 PolarHBondContact O-N 3.06Å; D233-L237 VanDerWaalsContact O-N 3.08Å; V234-L237 PolarHBondContact O-N 3.21Å; V235-L237 VanDerWaalsContact C-N 3.3Å; V235-L237 PolarHBondContact O-N 2.73Å; L237-L239 VanDerWaalsContact C-N 3.35Å; L237-L239 PolarHBondContact O-N 3.12Å; L237-S240 PolarHBondContact O-N 3.42Å; L237-S240 PolarHBondContact O-OG 2.94Å
238L97.4Very high95.2Very high2 Ų252 Ų521%0.0129%0.285CS..Hα-helixtrans-71.5-28-176-71.9176.3000112.8V203 I207 I213 P222 L223 V234 V235 S240 H241 C244V203-L238 HydrophobicContact CG1-CD2 4.08Å; V203-L238 HydrophobicContact CG1-CG 4.36Å; I207-L238 HydrophobicContact CD1-CD2 3.75Å; I213-L238 HydrophobicContact CD1-CD2 4.45Å; P222-L238 HydrophobicContact CB-CD1 4.36Å; L223-L238 HydrophobicContact CB-CB 4.39Å; L223-L238 HydrophobicContact CB-CD1 4.13Å; L223-L238 HydrophobicContact CD1-CB 3.75Å; L223-L238 HydrophobicContact CD1-CD1 4.46Å; V234-L238 HydrophobicContact CG1-CD1 3.87Å; V234-L238 HydrophobicContact CG1-CG 4.31Å; V234-L238 WeakPolarHBondContact O-CB 3.37Å; V234-L238 WeakPolarHBondContact O-CG 3.5Å; V234-L238 PolarHBondContact O-N 3.45Å; V235-L238 CarbonylContact O-C 3.58Å; V235-L238 PolarHBondContact O-N 3.32Å; L238-S240 PolarHBondContact O-N 3.1Å; L238-H241 WeakPolarHBondContact O-CB 3.26Å; L238-H241 PolarHBondContact O-N 3.04Å; L238-H241 VanDerWaalsContact O-N 3.11Å; L238-C244 WeakPolarHBondContact O-CB 3.44Å
239L96.5Very high95.1Very high22 Ų2253.5 Ų53.512%0.11529%0.289CS..Hα-helixtrans-62.9-30.3172.1-71.4-173.3000112.4L223 V235 L237 H241 R249 A252 L253L223-L239 HydrophobicContact CD1-CD2 4.03Å; L223-L239 HydrophobicContact CD1-CG 4.43Å; L223-L239 HydrophobicContact CD2-CD2 4.08Å; V235-L239 HydrophobicContact CG1-CD1 3.97Å; V235-L239 HydrophobicContact CG1-CG 3.98Å; V235-L239 VanDerWaalsContact O-CG 3.25Å; V235-L239 WeakPolarHBondContact O-CG 3.3Å; V235-L239 PolarHBondContact O-N 3.28Å; L237-L239 VanDerWaalsContact C-N 3.35Å; L237-L239 PolarHBondContact O-N 3.12Å; L239-H241 VanDerWaalsContact C-N 3.29Å; L239-R249 HydrophobicContact CD1-CG 4.45Å; L239-R249 HydrophobicContact CD2-CB 3.88Å; L239-R249 HydrophobicContact CD2-CG 3.8Å; L239-R249 PolarHBondContact O-NH2 2.88Å; L239-A252 HydrophobicContact CD2-CB 4.12Å; L239-L253 HydrophobicContact CD1-CD1 4.28Å; L239-L253 HydrophobicContact CD1-CD2 3.67Å; L239-L253 HydrophobicContact CD1-CG 3.83Å
240S91.4Very high95.1Very high95 Ų9552.1 Ų52.166%0.66428%0.28SS*.THydrogen-bonded Turntrans-81.5-6.1176.276.90000113.8E236 L237 L238E236-S240 PolarHBondContact O-N 2.89Å; L237-S240 PolarHBondContact O-N 3.42Å; L237-S240 PolarHBondContact O-OG 2.94Å; L238-S240 PolarHBondContact O-N 3.1Å
241H90.4Very high95Very high45 Ų4553.5 Ų53.521%0.20829%0.285CS..SBendtrans-72.5140.9-179-165.6-91.8000111.6I207 I213 L238 L239 D243 C244I207-H241 WeakPolarHBondContact CG2-NE2 3.37Å; I213-H241 HydrophobicContact CD1-CB 4.43Å; I213-H241 WeakPolarHBondContact CD1-ND1 3.44Å; L238-H241 WeakPolarHBondContact O-CB 3.26Å; L238-H241 PolarHBondContact O-N 3.04Å; L238-H241 VanDerWaalsContact O-N 3.11Å; L239-H241 VanDerWaalsContact C-N 3.29Å; H241-D243 VanDerWaalsContact C-N 3.26Å; H241-D243 IonicContact CE1-OD2 3.9Å; H241-D243 PolarHBondContact CE1-OD2 3.37Å; H241-D243 VanDerWaalsContact CE1-OD2 3.3Å; H241-D243 PolarHBondContact ND1-N 3.41Å; H241-D243 IonicContact ND1-OD2 3.7Å; H241-D243 PolarHBondContact O-N 2.98Å; H241-C244 VanDerWaalsContact O-CB 3.27Å; H241-C244 WeakPolarHBondContact O-CB 3.42Å; H241-C244 PolarHBondContact O-N 2.88Å
242A86.2Confident95Very high98 Ų9850.8 Ų50.881%0.8127%0.273SS*.THydrogen-bonded Turntrans-59.9-32.9-174.200000113.8C244A242-C244 VanDerWaalsContact C-N 3.26Å; A242-C244 PolarHBondContact O-N 2.69Å
243D85.8Confident95Very high126 Ų12650.8 Ų50.867%0.67427%0.272SS*.THydrogen-bonded Turntrans-80.1-1.5178.4-59.6-30.4000113.6H241 D245H241-D243 VanDerWaalsContact C-N 3.26Å; H241-D243 IonicContact CE1-OD2 3.9Å; H241-D243 PolarHBondContact CE1-OD2 3.37Å; H241-D243 VanDerWaalsContact CE1-OD2 3.3Å; H241-D243 PolarHBondContact ND1-N 3.41Å; H241-D243 IonicContact ND1-OD2 3.7Å; H241-D243 PolarHBondContact O-N 2.98Å; D243-D245 PolarHBondContact O-N 3.32Å
244C92.5Very high95Very high14 Ų1445.8 Ų45.810%0.09525%0.245CC..  trans-83.199.2178.9-173.30000111L238 H241 A242 R249L238-C244 WeakPolarHBondContact O-CB 3.44Å; H241-C244 VanDerWaalsContact O-CB 3.27Å; H241-C244 WeakPolarHBondContact O-CB 3.42Å; H241-C244 PolarHBondContact O-N 2.88Å; A242-C244 VanDerWaalsContact C-N 3.26Å; A242-C244 PolarHBondContact O-N 2.69Å; C244-R249 PolarHBondContact O-NH1 3.38Å; C244-R249 PolarHBondContact O-NH2 3.3Å
245D93.1Very high95Very high90 Ų9045.8 Ų45.848%0.48125%0.245SC..  trans-67.1165.7175.273.118.6000113D243 R247 S248 R249D243-D245 PolarHBondContact O-N 3.32Å; D245-R247 VanDerWaalsContact C-N 3.33Å; D245-R247 PolarHBondContact O-N 3.2Å; D245-R247 PolarHBondContact OD1-N 3.47Å; D245-S248 PolarHBondContact O-N 3.47Å; D245-S248 WeakPolarHBondContact OD1-CA 3.46Å; D245-S248 WeakPolarHBondContact OD1-CB 3.34Å; D245-S248 PolarHBondContact OD1-N 2.94Å; D245-S248 PolarHBondContact OD1-OG 2.9Å; D245-R249 PolarHBondContact O-N 3.29Å
246R93.3Very high95Very high49 Ų4945.8 Ų45.819%0.18525%0.245CC..Hα-helixtrans-62.4-37.9-176.1-171.4177.9174.6-150.3-4.8112.6R249 I250 E282 R283 N289 L291R246-R249 PolarHBondContact O-N 3.27Å; R246-I250 HydrophobicContact CG-CD1 4.1Å; R246-I250 WeakPolarHBondContact O-CD1 3.37Å; R246-I250 WeakPolarHBondContact O-CG1 3.47Å; R246-I250 PolarHBondContact O-N 3.47Å; R246-I250 VanDerWaalsContact O-N 3.13Å; R246-E282 PolarHBondContact NE-O 3.05Å; R246-E282 PolarHBondContact NH2-O 3.41Å; R246-R283 PolarHBondContact NH2-O 3.23Å; R246-N289 PolarHBondContact NH1-O 2.67Å; R246-L291 HydrophobicContact CB-CD1 4.41Å; R246-L291 HydrophobicContact CG-CD1 3.95Å
247R94.3Very high95.1Very high142 Ų14241.1 Ų41.154%0.53622%0.223SC..Hα-helixtrans-66.8-46.4179.7179.4173.7-73.1-171.5-6.9111.1D245 R249 I250 E251D245-R247 VanDerWaalsContact C-N 3.33Å; D245-R247 PolarHBondContact O-N 3.2Å; D245-R247 PolarHBondContact OD1-N 3.47Å; R247-R249 VanDerWaalsContact C-N 3.28Å; R247-R249 PolarHBondContact O-N 3.35Å; R247-I250 PolarHBondContact O-N 3.42Å; R247-E251 HydrophobicContact CG-CG 4.45Å; R247-E251 WeakPolarHBondContact CG-OE1 3.27Å; R247-E251 WeakPolarHBondContact O-CG 3.48Å; R247-E251 PolarHBondContact O-N 3.17Å
248S95.6Very high95.2Very high38 Ų3839.3 Ų39.327%0.26621%0.214SC..Hα-helixtrans-61.6-37.5177.3-58.80000111.6D245 A252D245-S248 PolarHBondContact O-N 3.47Å; D245-S248 WeakPolarHBondContact OD1-CA 3.46Å; D245-S248 WeakPolarHBondContact OD1-CB 3.34Å; D245-S248 PolarHBondContact OD1-N 2.94Å; D245-S248 PolarHBondContact OD1-OG 2.9Å; S248-A252 WeakPolarHBondContact O-CB 3.33Å; S248-A252 PolarHBondContact O-N 3.41Å
249R96.5Very high95.2Very high55 Ų5539.2 Ų39.221%0.20821%0.213CC..Hα-helixtrans-61.3-48.7174.5174.8172.2-55.389.39.1112.5L239 C244 D245 R246 R247 A252 L253 E282L239-R249 HydrophobicContact CD1-CG 4.45Å; L239-R249 HydrophobicContact CD2-CB 3.88Å; L239-R249 HydrophobicContact CD2-CG 3.8Å; L239-R249 PolarHBondContact O-NH2 2.88Å; C244-R249 PolarHBondContact O-NH1 3.38Å; C244-R249 PolarHBondContact O-NH2 3.3Å; D245-R249 PolarHBondContact O-N 3.29Å; R246-R249 PolarHBondContact O-N 3.27Å; R247-R249 VanDerWaalsContact C-N 3.28Å; R247-R249 PolarHBondContact O-N 3.35Å; R249-A252 PolarHBondContact O-N 2.94Å; R249-L253 HydrophobicContact CG-CD1 4.21Å; R249-L253 WeakPolarHBondContact O-CG 3.24Å; R249-L253 PolarHBondContact O-N 3.35Å; R249-L253 VanDerWaalsContact O-N 3.11Å; R249-E282 WeakPolarHBondContact CD-OE2 3.34Å; R249-E282 HydrophobicContact CG-CG 4.33Å
250I97.6Very high95.3Very high2 Ų238.4 Ų38.41%0.0121%0.209CC..Hα-helixtrans-60.9-53.1177.2-69.9159.5000110.2R246 R247 A252 L253 E254 E282 R283 L291R246-I250 HydrophobicContact CG-CD1 4.1Å; R246-I250 WeakPolarHBondContact O-CD1 3.37Å; R246-I250 WeakPolarHBondContact O-CG1 3.47Å; R246-I250 PolarHBondContact O-N 3.47Å; R246-I250 VanDerWaalsContact O-N 3.13Å; R247-I250 PolarHBondContact O-N 3.42Å; I250-A252 VanDerWaalsContact C-N 3.29Å; I250-A252 PolarHBondContact O-N 3.23Å; I250-L253 PolarHBondContact O-N 3.48Å; I250-E254 HydrophobicContact CG2-CG 4.31Å; I250-E254 WeakPolarHBondContact O-CB 3.16Å; I250-E254 VanDerWaalsContact O-CG 3.3Å; I250-E254 WeakPolarHBondContact O-CG 3.35Å; I250-E254 PolarHBondContact O-N 2.8Å; I250-E282 HydrophobicContact CD1-CB 4.43Å; I250-E282 HydrophobicContact CG1-CB 3.65Å; I250-R283 HydrophobicContact CD1-CB 4.5Å; I250-R283 HydrophobicContact CD1-CG 3.78Å; I250-R283 HydrophobicContact CG1-CG 4.1Å; I250-R283 HydrophobicContact CG2-CG 3.66Å; I250-R283 VanDerWaalsContact CG2-CZ 3.42Å; I250-R283 VanDerWaalsContact CG2-NE 3.34Å; I250-L291 HydrophobicContact CD1-CB 4.27Å; I250-L291 HydrophobicContact CD1-CD1 3.6Å
251E97.4Very high95.7Very high36 Ų3633.9 Ų33.917%0.16818%0.177CC..Hα-helixtrans-60.6-37.9-178.6-73.6179.6-16600112.3K224 R247 E254 L255 I335K224-E251 WeakPolarHBondContact CE-OE2 3.47Å; K224-E251 IonicContact NZ-OE2 2.83Å; K224-E251 PolarHBondContact NZ-OE2 3.16Å; R247-E251 HydrophobicContact CG-CG 4.45Å; R247-E251 WeakPolarHBondContact CG-OE1 3.27Å; R247-E251 WeakPolarHBondContact O-CG 3.48Å; R247-E251 PolarHBondContact O-N 3.17Å; E251-E254 PolarHBondContact O-N 3.11Å; E251-L255 WeakPolarHBondContact O-CB 3.46Å; E251-L255 PolarHBondContact O-N 2.96Å; E251-I335 HydrophobicContact CB-CD1 4.33Å; E251-I335 HydrophobicContact CB-CG2 4.06Å; E251-I335 HydrophobicContact CG-CG1 4.33Å; E251-I335 HydrophobicContact CG-CG2 4.35Å; E251-I335 WeakPolarHBondContact O-CD1 3.18Å
252A98.5Very high96.1Very high0 Ų031.8 Ų31.80%017%0.168CC..Hα-helixtrans-68-40.6178.300000112.7L223 A227 V235 L239 S248 R249 I250 L256L223-A252 HydrophobicContact CD1-CB 3.66Å; L223-A252 HydrophobicContact CD2-CB 3.67Å; L223-A252 HydrophobicContact CG-CB 3.49Å; L223-A252 VanDerWaalsContact CG-CB 3.49Å; A227-A252 WeakPolarHBondContact CB-O 3.39Å; V235-A252 HydrophobicContact CG1-CB 4.45Å; L239-A252 HydrophobicContact CD2-CB 4.12Å; S248-A252 WeakPolarHBondContact O-CB 3.33Å; S248-A252 PolarHBondContact O-N 3.41Å; R249-A252 PolarHBondContact O-N 2.94Å; I250-A252 VanDerWaalsContact C-N 3.29Å; I250-A252 PolarHBondContact O-N 3.23Å; A252-L256 WeakPolarHBondContact O-CB 3.36Å; A252-L256 PolarHBondContact O-N 3.5Å
253L98.8Very high96.6Very high9 Ų928.8 Ų28.85%0.04714%0.138CC..Hα-helixtrans-65.9-43174.9-72168000111.3L239 R249 I250 L256 G257 Y275 L278 A279 E282L239-L253 HydrophobicContact CD1-CD1 4.28Å; L239-L253 HydrophobicContact CD1-CD2 3.67Å; L239-L253 HydrophobicContact CD1-CG 3.83Å; R249-L253 HydrophobicContact CG-CD1 4.21Å; R249-L253 WeakPolarHBondContact O-CG 3.24Å; R249-L253 PolarHBondContact O-N 3.35Å; R249-L253 VanDerWaalsContact O-N 3.11Å; I250-L253 PolarHBondContact O-N 3.48Å; L253-L256 PolarHBondContact O-N 3.24Å; L253-G257 PolarHBondContact O-N 3.44Å; L253-Y275 HydrophobicContact CD2-CD1 3.82Å; L253-Y275 HydrophobicContact CD2-CE1 4.43Å; L253-L278 HydrophobicContact CD1-CB 4.3Å; L253-L278 HydrophobicContact CD2-CB 4.41Å; L253-A279 HydrophobicContact CB-CB 3.76Å; L253-E282 HydrophobicContact CD1-CG 3.85Å
254E98.7Very high97Very high2 Ų232 Ų321%0.00914%0.14CC..Hα-helixtrans-61.1-48.3175.9-71.9178.2151.700111.6I250 E251 L256 G257 A258 A279 R283 K293 V331 R334 I335I250-E254 HydrophobicContact CG2-CG 4.31Å; I250-E254 WeakPolarHBondContact O-CB 3.16Å; I250-E254 VanDerWaalsContact O-CG 3.3Å; I250-E254 WeakPolarHBondContact O-CG 3.35Å; I250-E254 PolarHBondContact O-N 2.8Å; E251-E254 PolarHBondContact O-N 3.11Å; E254-L256 PolarHBondContact O-N 3.19Å; E254-G257 PolarHBondContact O-N 3.02Å; E254-A258 VanDerWaalsContact O-CB 3.31Å; E254-A258 WeakPolarHBondContact O-CB 3.37Å; E254-A258 PolarHBondContact O-N 3.17Å; E254-A279 HydrophobicContact CB-CB 4.43Å; E254-A279 HydrophobicContact CG-CB 3.39Å; E254-R283 IonicContact OE1-CZ 3.61Å; E254-R283 IonicContact OE1-NE 3.08Å; E254-R283 PolarHBondContact OE1-NE 2.82Å; E254-R283 IonicContact OE1-NH2 3.98Å; E254-R283 PolarHBondContact OE1-NH2 3.43Å; E254-R283 IonicContact OE2-CZ 3.77Å; E254-R283 IonicContact OE2-NH2 3.94Å; E254-R283 PolarHBondContact OE2-NH2 3.44Å; E254-K293 VanDerWaalsContact OE1-CE 3.27Å; E254-K293 WeakPolarHBondContact OE1-CE 3.27Å; E254-V331 HydrophobicContact CB-CG1 3.71Å; E254-R334 VanDerWaalsContact CD-NH2 3.25Å; E254-R334 IonicContact OE1-NH2 3.79Å; E254-R334 IonicContact OE2-CZ 3.82Å; E254-R334 IonicContact OE2-NH1 3.69Å; E254-R334 PolarHBondContact OE2-NH1 3.08Å; E254-R334 IonicContact OE2-NH2 3.81Å; E254-R334 PolarHBondContact OE2-NH2 3.45Å; E254-I335 HydrophobicContact CB-CD1 3.48Å; E254-I335 VanDerWaalsContact CB-CD1 3.48Å
255L98.7Very high97.2Very high0 Ų039.5 Ų39.50%017%0.174CC..Hα-helixtrans-65.7-37.9179.4-172.361.9000111.7K224 A227 E228 E251 A258 S259 R332 I335 L336K224-L255 HydrophobicContact CB-CD2 4.2Å; K224-L255 HydrophobicContact CG-CD2 4.4Å; A227-L255 HydrophobicContact CB-CB 4.04Å; A227-L255 HydrophobicContact CB-CD2 4.1Å; A227-L255 HydrophobicContact CB-CG 4.11Å; E228-L255 HydrophobicContact CB-CD2 4.36Å; E228-L255 WeakPolarHBondContact OE2-CD1 3.44Å; E251-L255 WeakPolarHBondContact O-CB 3.46Å; E251-L255 PolarHBondContact O-N 2.96Å; L255-A258 PolarHBondContact O-N 3.1Å; L255-S259 VanDerWaalsContact O-CB 3.31Å; L255-S259 WeakPolarHBondContact O-CB 3.4Å; L255-S259 PolarHBondContact O-N 3.27Å; L255-S259 PolarHBondContact O-OG 3.02Å; L255-R332 HydrophobicContact CD1-CB 4.29Å; L255-R332 HydrophobicContact CD1-CG 4.08Å; L255-I335 HydrophobicContact CB-CD1 4.22Å; L255-I335 HydrophobicContact CB-CG2 4.48Å; L255-I335 HydrophobicContact CD2-CG2 4.38Å; L255-L336 HydrophobicContact CD1-CD1 4.22Å; L255-L336 HydrophobicContact CD1-CD2 4.44Å; L255-L336 HydrophobicContact CD1-CG 4.14Å; L255-L336 HydrophobicContact CD2-CD2 3.81Å; L255-L336 HydrophobicContact CD2-CG 4.41Å
256L98.9Very high97.4Very high0 Ų037.9 Ų37.90%017%0.166CC..Hα-helixtrans-63.4-46.1175.7-179.861.7000111A227 A232 V235 A252 L253 E254 S259 F260 Y275A227-L256 HydrophobicContact CB-CB 4.1Å; A232-L256 HydrophobicContact CB-CD2 4.27Å; V235-L256 HydrophobicContact CB-CD2 4.05Å; V235-L256 HydrophobicContact CG1-CD2 3.97Å; V235-L256 HydrophobicContact CG2-CD1 4.39Å; V235-L256 HydrophobicContact CG2-CD2 4.16Å; A252-L256 WeakPolarHBondContact O-CB 3.36Å; A252-L256 PolarHBondContact O-N 3.5Å; L253-L256 PolarHBondContact O-N 3.24Å; E254-L256 PolarHBondContact O-N 3.19Å; L256-S259 PolarHBondContact O-N 3.43Å; L256-F260 HydrophobicContact CD1-CD2 3.99Å; L256-F260 HydrophobicContact CD1-CE2 3.44Å; L256-F260 VanDerWaalsContact CD1-CE2 3.44Å; L256-F260 HydrophobicContact CD1-CZ 4.19Å; L256-F260 HydrophobicContact CD2-CE2 4.35Å; L256-F260 HydrophobicContact CG-CD2 4.05Å; L256-F260 HydrophobicContact CG-CE2 3.72Å; L256-F260 WeakPolarHBondContact O-CD2 3.31Å; L256-F260 PolarHBondContact O-N 3.23Å; L256-F260 VanDerWaalsContact O-N 3.1Å; L256-Y275 HydrophobicContact CD2-CD1 3.72Å; L256-Y275 HydrophobicContact CD2-CD2 3.82Å; L256-Y275 HydrophobicContact CD2-CE1 3.61Å; L256-Y275 HydrophobicContact CD2-CE2 3.72Å; L256-Y275 HydrophobicContact CD2-CG 3.84Å; L256-Y275 HydrophobicContact CG-CD1 4.45Å; L256-Y275 HydrophobicContact CG-CD2 3.87Å; L256-Y275 HydrophobicContact CG-CE2 4.1Å; L256-Y275 HydrophobicContact CG-CG 4.08Å
257G98.8Very high97.6Very high0 Ų039.5 Ų39.50%017%0.172CC..Hα-helixtrans-60.3-47.117400000112.3L253 E254 S259 F260 A261 T272L253-G257 PolarHBondContact O-N 3.44Å; E254-G257 PolarHBondContact O-N 3.02Å; G257-S259 PolarHBondContact O-N 2.9Å; G257-F260 PolarHBondContact O-N 2.82Å; G257-A261 PolarHBondContact O-N 3.38Å; G257-T272 WeakPolarHBondContact O-CG2 3.34Å; G257-T272 PolarHBondContact O-OG1 3.02Å
258A98.7Very high97.8Very high0 Ų035 Ų350%016%0.159CC..Hα-helixtrans-59.3-32.6175.600000113.6E254 L255 A261 G328 V331 R332E254-A258 VanDerWaalsContact O-CB 3.31Å; E254-A258 WeakPolarHBondContact O-CB 3.37Å; E254-A258 PolarHBondContact O-N 3.17Å; L255-A258 PolarHBondContact O-N 3.1Å; A258-A261 WeakPolarHBondContact O-CB 3.4Å; A258-A261 PolarHBondContact O-N 3.15Å; A258-G328 VanDerWaalsContact CB-O 3.25Å; A258-G328 WeakPolarHBondContact CB-O 3.4Å; A258-V331 HydrophobicContact CB-CB 4.23Å; A258-V331 HydrophobicContact CB-CG1 3.95Å; A258-R332 HydrophobicContact CB-CB 4.38Å; A258-R332 PolarHBondContact O-NH1 2.89Å
259S98.7Very high97.9Very high0 Ų034 Ų340%015%0.15CC..Hα-helixtrans-74.1-46.7-179.6-58.10000112A227 E228 C230 L255 L256 G257 A261 N262 D263 R332A227-S259 WeakPolarHBondContact O-CB 3.23Å; A227-S259 PolarHBondContact O-OG 3.2Å; E228-S259 WeakPolarHBondContact CA-OG 3.37Å; E228-S259 PolarHBondContact OE2-OG 2.91Å; C230-S259 VanDerWaalsContact SG-C 3.54Å; C230-S259 VanDerWaalsContact SG-CB 3.53Å; L255-S259 VanDerWaalsContact O-CB 3.31Å; L255-S259 WeakPolarHBondContact O-CB 3.4Å; L255-S259 PolarHBondContact O-N 3.27Å; L255-S259 PolarHBondContact O-OG 3.02Å; L256-S259 PolarHBondContact O-N 3.43Å; G257-S259 PolarHBondContact O-N 2.9Å; S259-A261 PolarHBondContact O-N 3.31Å; S259-A261 VanDerWaalsContact O-N 3.11Å; S259-N262 CarbonylContact O-C 3.6Å; S259-N262 PolarHBondContact O-N 3.46Å; S259-D263 VanDerWaalsContact O-CB 3.32Å; S259-D263 WeakPolarHBondContact O-CB 3.48Å; S259-D263 PolarHBondContact O-N 3.09Å; S259-R332 VanDerWaalsContact CA-NH2 3.34Å; S259-R332 PolarHBondContact OG-NH2 2.91Å
260F98.8Very high98Very high6 Ų637.6 Ų37.63%0.02617%0.172CC..Hα-helixtrans-56.5-28.7172.4-79.5-61.2000113.4C230 A232 L256 G257 N262 N266 Y267 D268 K271 Y275C230-F260 HydrophobicContact CB-CD1 4.18Å; C230-F260 HydrophobicContact CB-CE1 3.78Å; C230-F260 HydrophobicContact CB-CZ 4.01Å; A232-F260 HydrophobicContact CB-CZ 4.37Å; L256-F260 HydrophobicContact CD1-CD2 3.99Å; L256-F260 HydrophobicContact CD1-CE2 3.44Å; L256-F260 VanDerWaalsContact CD1-CE2 3.44Å; L256-F260 HydrophobicContact CD1-CZ 4.19Å; L256-F260 HydrophobicContact CD2-CE2 4.35Å; L256-F260 HydrophobicContact CG-CD2 4.05Å; L256-F260 HydrophobicContact CG-CE2 3.72Å; L256-F260 WeakPolarHBondContact O-CD2 3.31Å; L256-F260 PolarHBondContact O-N 3.23Å; L256-F260 VanDerWaalsContact O-N 3.1Å; G257-F260 PolarHBondContact O-N 2.82Å; F260-N262 VanDerWaalsContact C-N 3.32Å; F260-N262 PolarHBondContact O-N 2.85Å; F260-N266 HydrophobicContact CD1-CB 4.39Å; F260-N266 VanDerWaalsContact CD1-O 3.22Å; F260-N266 WeakPolarHBondContact CD1-O 3.23Å; F260-N266 HydrophobicContact CE1-CB 4.23Å; F260-Y267 WeakPolarHBondContact O-CA 3.09Å; F260-D268 HydrophobicContact CD1-CB 3.98Å; F260-D268 PolarHBondContact O-N 3.5Å; F260-K271 HydrophobicContact CB-CB 4.35Å; F260-K271 HydrophobicContact CD1-CB 4.32Å; F260-K271 HydrophobicContact CD1-CD 4.22Å; F260-K271 HydrophobicContact CD2-CB 3.8Å; F260-K271 HydrophobicContact CD2-CD 4.37Å; F260-K271 HydrophobicContact CE1-CD 3.82Å; F260-K271 HydrophobicContact CE2-CB 4.15Å; F260-K271 HydrophobicContact CE2-CD 3.96Å; F260-K271 HydrophobicContact CG-CB 3.9Å; F260-K271 HydrophobicContact CZ-CD 3.7Å; F260-Y275 AromaticContact CD2-CD2 3.85Å; F260-Y275 HydrophobicContact CD2-CD2 3.85Å; F260-Y275 HydrophobicContact CD2-CE2 4.04Å; F260-Y275 AromaticContact CE2-CD2 3.83Å; F260-Y275 HydrophobicContact CE2-CD2 3.83Å; F260-Y275 AromaticContact CE2-CE2 3.54Å; F260-Y275 HydrophobicContact CE2-CE2 3.54Å
261A98.5Very high98.1Very high0 Ų041.5 Ų41.50%019%0.189CC..Hα-helixtrans-69.7-29.1179.900000112.9G257 A258 S259 Y267 T272 H325 R350G257-A261 PolarHBondContact O-N 3.38Å; A258-A261 WeakPolarHBondContact O-CB 3.4Å; A258-A261 PolarHBondContact O-N 3.15Å; S259-A261 PolarHBondContact O-N 3.31Å; S259-A261 VanDerWaalsContact O-N 3.11Å; A261-Y267 WeakPolarHBondContact O-CE2 3.46Å; A261-T272 VanDerWaalsContact CA-OG1 3.23Å; A261-T272 WeakPolarHBondContact CA-OG1 3.24Å; A261-T272 HydrophobicContact CB-CG2 3.59Å; A261-T272 PolarHBondContact N-OG1 3.49Å; A261-H325 PolarHBondContact O-CD2 3.08Å; A261-H325 VanDerWaalsContact O-CD2 3.23Å; A261-R350 PolarHBondContact O-NH2 2.7Å
262N98.2Very high98.1Very high1 Ų139.8 Ų39.81%0.00518%0.181CC..SBendtrans-140.226.8-166.5-67.1-66.2000113.5S259 F260 H325 L329 P346 Y349 R350S259-N262 CarbonylContact O-C 3.6Å; S259-N262 PolarHBondContact O-N 3.46Å; F260-N262 VanDerWaalsContact C-N 3.32Å; F260-N262 PolarHBondContact O-N 2.85Å; N262-H325 PolarHBondContact ND2-O 3.36Å; N262-L329 HydrophobicContact CB-CD2 4.18Å; N262-P346 HydrophobicContact CB-CB 3.86Å; N262-Y349 VanDerWaalsContact O-CD1 3.27Å; N262-Y349 WeakPolarHBondContact O-CD1 3.31Å; N262-R350 VanDerWaalsContact OD1-CZ 3.23Å; N262-R350 PolarHBondContact OD1-NE 3.18Å; N262-R350 PolarHBondContact OD1-NH2 3.28Å
263D96.5Very high98.1Very high34 Ų3441.4 Ų41.418%0.18219%0.188CC..  trans-102.8137.2172-176.3-106.5000110.9S259 E265 N266 Y267S259-D263 VanDerWaalsContact O-CB 3.32Å; S259-D263 WeakPolarHBondContact O-CB 3.48Å; S259-D263 PolarHBondContact O-N 3.09Å; D263-E265 PolarHBondContact OD1-N 3.38Å; D263-E265 VanDerWaalsContact OD1-N 3.12Å; D263-N266 HydrophobicContact CB-CB 4.47Å; D263-N266 WeakPolarHBondContact OD1-CA 3.36Å; D263-N266 VanDerWaalsContact OD1-CB 3.26Å; D263-N266 WeakPolarHBondContact OD1-CB 3.31Å; D263-N266 PolarHBondContact OD1-N 2.7Å; D263-N266 PolarHBondContact OD1-ND2 3.13Å; D263-Y267 WeakPolarHBondContact O-CA 3.5Å; D263-Y267 VanDerWaalsContact O-CB 3.23Å; D263-Y267 WeakPolarHBondContact O-CB 3.34Å; D263-Y267 PolarHBondContact O-N 3.13Å
264R94.7Very high98.1Very high193 Ų19345.2 Ų45.273%0.72821%0.205SC*.THydrogen-bonded Turntrans-70.1-40.7-175.6177.2179.6170.3132.50.2112.9Y349R264-Y349 HydrophobicContact CB-CD2 4.09Å; R264-Y349 HydrophobicContact CB-CE2 3.67Å; R264-Y349 HydrophobicContact CG-CE2 3.97Å
265E96.4Very high98.1Very high173 Ų17345.7 Ų45.781%0.80821%0.207SC*.THydrogen-bonded Turntrans-90.1-32.1-170.6-65.4-178174.600111.8D263D263-E265 PolarHBondContact OD1-N 3.38Å; D263-E265 VanDerWaalsContact OD1-N 3.12Å
266N97.5Very high98.1Very high56 Ų5646 Ų4630%0.29921%0.208SC..THydrogen-bonded Turntrans-110.210.8-173.8-55.6-84.5000112.7C230 F260 D263 D268C230-N266 HydrophobicContact CB-CB 3.69Å; F260-N266 HydrophobicContact CD1-CB 4.39Å; F260-N266 VanDerWaalsContact CD1-O 3.22Å; F260-N266 WeakPolarHBondContact CD1-O 3.23Å; F260-N266 HydrophobicContact CE1-CB 4.23Å; D263-N266 HydrophobicContact CB-CB 4.47Å; D263-N266 WeakPolarHBondContact OD1-CA 3.36Å; D263-N266 VanDerWaalsContact OD1-CB 3.26Å; D263-N266 WeakPolarHBondContact OD1-CB 3.31Å; D263-N266 PolarHBondContact OD1-N 2.7Å; D263-N266 PolarHBondContact OD1-ND2 3.13Å; N266-D268 PolarHBondContact O-N 3.31Å; N266-D268 VanDerWaalsContact O-N 3.11Å
267Y98.2Very high98.1Very high83 Ų8350 Ų5033%0.32522%0.224SC..  trans-45117.4-177.2178.9-104.7000113F260 A261 D263 H325F260-Y267 WeakPolarHBondContact O-CA 3.09Å; A261-Y267 WeakPolarHBondContact O-CE2 3.46Å; D263-Y267 WeakPolarHBondContact O-CA 3.5Å; D263-Y267 VanDerWaalsContact O-CB 3.23Å; D263-Y267 WeakPolarHBondContact O-CB 3.34Å; D263-Y267 PolarHBondContact O-N 3.13Å; Y267-H325 AromaticContact CE2-CD2 3.96Å; Y267-H325 AromaticContact CE2-NE2 3.35Å; Y267-H325 VanDerWaalsContact CE2-NE2 3.35Å; Y267-H325 WeakPolarHBondContact CE2-NE2 3.27Å; Y267-H325 AromaticContact CZ-NE2 3.51Å; Y267-H325 PolarHBondContact OH-CE1 2.88Å; Y267-H325 PolarHBondContact OH-NE2 3.49Å
268D98.5Very high98.1Very high47 Ų4752.7 Ų52.725%0.25124%0.238SC..  trans-150.3100.1178.3-171.5-27.1000110.9F260 N266 I270 K271 T272F260-D268 HydrophobicContact CD1-CB 3.98Å; F260-D268 PolarHBondContact O-N 3.5Å; N266-D268 PolarHBondContact O-N 3.31Å; N266-D268 VanDerWaalsContact O-N 3.11Å; D268-I270 VanDerWaalsContact C-N 3.25Å; D268-I270 PolarHBondContact O-N 2.88Å; D268-I270 WeakPolarHBondContact OD1-CA 3.38Å; D268-I270 WeakPolarHBondContact OD1-CB 3.45Å; D268-I270 PolarHBondContact OD1-N 3.13Å; D268-K271 HydrophobicContact CB-CB 3.96Å; D268-K271 HydrophobicContact CB-CD 4.17Å; D268-K271 HydrophobicContact CB-CG 4.24Å; D268-K271 PolarHBondContact O-N 3.36Å; D268-K271 PolarHBondContact OD1-N 3.14Å; D268-K271 VanDerWaalsContact OD2-CD 3.27Å; D268-K271 WeakPolarHBondContact OD2-CD 3.49Å; D268-K271 WeakPolarHBondContact OD2-CE 3.37Å; D268-K271 VanDerWaalsContact OD2-CG 3.27Å; D268-K271 WeakPolarHBondContact OD2-CG 3.24Å; D268-T272 PolarHBondContact O-N 3.33Å; D268-T272 PolarHBondContact O-OG1 2.95Å
269I98Very high98.1Very high17 Ų1752.7 Ų52.79%0.08724%0.238CC..Hα-helixtrans-70.3-22.7-178.4-156.859.1000113T272 Y273 R321 L324I269-T272 HydrophobicContact CD1-CG2 4.21Å; I269-T272 WeakPolarHBondContact O-CB 3.45Å; I269-Y273 PolarHBondContact O-N 2.87Å; I269-R321 HydrophobicContact CG1-CB 4.48Å; I269-R321 HydrophobicContact CG1-CG 4.25Å; I269-L324 HydrophobicContact CD1-CB 3.67Å; I269-L324 HydrophobicContact CD1-CD1 4.01Å; I269-L324 HydrophobicContact CG1-CB 4.48Å; I269-L324 HydrophobicContact CG1-CD1 3.96Å
270I98.5Very high98Very high131 Ų13152.9 Ų52.967%0.67224%0.239SC*.Hα-helixtrans-75.5-46177.3-55.4-58000109.1D268 T272 Y273 H274D268-I270 VanDerWaalsContact C-N 3.25Å; D268-I270 PolarHBondContact O-N 2.88Å; D268-I270 WeakPolarHBondContact OD1-CA 3.38Å; D268-I270 WeakPolarHBondContact OD1-CB 3.45Å; D268-I270 PolarHBondContact OD1-N 3.13Å; I270-T272 VanDerWaalsContact C-N 3.29Å; I270-T272 PolarHBondContact O-N 3.21Å; I270-Y273 PolarHBondContact O-N 3.41Å; I270-H274 WeakPolarHBondContact O-CB 3.37Å; I270-H274 PolarHBondContact O-N 3Å
271K98.7Very high97.9Very high83 Ų8356.3 Ų56.336%0.36126%0.257SS..Hα-helixtrans-63.2-35.1172.4-75.2-177.5-176.3-175.50112.5F260 D268 H274 Y275F260-K271 HydrophobicContact CB-CB 4.35Å; F260-K271 HydrophobicContact CD1-CB 4.32Å; F260-K271 HydrophobicContact CD1-CD 4.22Å; F260-K271 HydrophobicContact CD2-CB 3.8Å; F260-K271 HydrophobicContact CD2-CD 4.37Å; F260-K271 HydrophobicContact CE1-CD 3.82Å; F260-K271 HydrophobicContact CE2-CB 4.15Å; F260-K271 HydrophobicContact CE2-CD 3.96Å; F260-K271 HydrophobicContact CG-CB 3.9Å; F260-K271 HydrophobicContact CZ-CD 3.7Å; D268-K271 HydrophobicContact CB-CB 3.96Å; D268-K271 HydrophobicContact CB-CD 4.17Å; D268-K271 HydrophobicContact CB-CG 4.24Å; D268-K271 PolarHBondContact O-N 3.36Å; D268-K271 PolarHBondContact OD1-N 3.14Å; D268-K271 VanDerWaalsContact OD2-CD 3.27Å; D268-K271 WeakPolarHBondContact OD2-CD 3.49Å; D268-K271 WeakPolarHBondContact OD2-CE 3.37Å; D268-K271 VanDerWaalsContact OD2-CG 3.27Å; D268-K271 WeakPolarHBondContact OD2-CG 3.24Å; K271-H274 PolarHBondContact O-N 3.26Å; K271-Y275 HydrophobicContact CB-CD2 4.16Å; K271-Y275 HydrophobicContact CB-CE2 4.15Å; K271-Y275 HydrophobicContact CD-CE2 4.41Å; K271-Y275 HydrophobicContact CG-CE2 4.33Å; K271-Y275 VanDerWaalsContact O-CD2 3.24Å; K271-Y275 WeakPolarHBondContact O-CD2 3.29Å; K271-Y275 PolarHBondContact O-N 2.94Å
272T98.8Very high97.8Very high0 Ų058.5 Ų58.50%027%0.267CS..Hα-helixtrans-51.8-60.7173-61.30000110.8G257 A261 D268 I269 I270 H274 L276 L324G257-T272 WeakPolarHBondContact O-CG2 3.34Å; G257-T272 PolarHBondContact O-OG1 3.02Å; A261-T272 VanDerWaalsContact CA-OG1 3.23Å; A261-T272 WeakPolarHBondContact CA-OG1 3.24Å; A261-T272 HydrophobicContact CB-CG2 3.59Å; A261-T272 PolarHBondContact N-OG1 3.49Å; D268-T272 PolarHBondContact O-N 3.33Å; D268-T272 PolarHBondContact O-OG1 2.95Å; I269-T272 HydrophobicContact CD1-CG2 4.21Å; I269-T272 WeakPolarHBondContact O-CB 3.45Å; I270-T272 VanDerWaalsContact C-N 3.29Å; I270-T272 PolarHBondContact O-N 3.21Å; T272-H274 VanDerWaalsContact C-N 3.32Å; T272-H274 PolarHBondContact O-N 3Å; T272-L276 HydrophobicContact CG2-CD1 3.94Å; T272-L276 WeakPolarHBondContact O-CB 3.25Å; T272-L276 VanDerWaalsContact O-CG 3.24Å; T272-L276 WeakPolarHBondContact O-CG 3.37Å; T272-L276 PolarHBondContact O-N 3.47Å; T272-L276 VanDerWaalsContact O-N 3.11Å; T272-L324 HydrophobicContact CG2-CB 4.36Å
273Y98.7Very high97.6Very high35 Ų3559 Ų5914%0.13727%0.269CS..Hα-helixtrans-62.1-41.9179.2174.3-86.9000111.3I269 I270 Y275 L276 Y277 L314 E315 R318 L324I269-Y273 PolarHBondContact O-N 2.87Å; I270-Y273 PolarHBondContact O-N 3.41Å; Y273-Y275 PolarHBondContact O-N 3.49Å; Y273-L276 PolarHBondContact O-N 3.45Å; Y273-Y277 HydrophobicContact CE1-CG 4.29Å; Y273-Y277 VanDerWaalsContact O-CB 3.25Å; Y273-Y277 WeakPolarHBondContact O-CB 3.33Å; Y273-Y277 PolarHBondContact O-N 2.98Å; Y273-Y277 WeakPolarHBondContact OH-CD2 3.33Å; Y273-L314 HydrophobicContact CD2-CD1 4.42Å; Y273-L314 HydrophobicContact CD2-CG 4.17Å; Y273-L314 HydrophobicContact CE2-CD2 4.39Å; Y273-L314 HydrophobicContact CE2-CG 3.89Å; Y273-E315 PolarHBondContact OH-OE2 2.96Å; Y273-R318 HydrophobicContact CD1-CG 4.15Å; Y273-R318 HydrophobicContact CD2-CB 3.78Å; Y273-R318 HydrophobicContact CD2-CG 3.56Å; Y273-R318 HydrophobicContact CE1-CG 4.17Å; Y273-R318 HydrophobicContact CE2-CB 3.54Å; Y273-R318 HydrophobicContact CE2-CG 3.52Å; Y273-R318 HydrophobicContact CG-CG 3.88Å; Y273-R318 VanDerWaalsContact CZ-CD 3.46Å; Y273-L324 HydrophobicContact CD2-CD2 4.42Å
274H98.7Very high97.5Very high89 Ų8961.1 Ų61.141%0.41228%0.277SS..Hα-helixtrans-56-52.5-179.4176.568000112.6I270 K271 T272 Y277 L278I270-H274 WeakPolarHBondContact O-CB 3.37Å; I270-H274 PolarHBondContact O-N 3Å; K271-H274 PolarHBondContact O-N 3.26Å; T272-H274 VanDerWaalsContact C-N 3.32Å; T272-H274 PolarHBondContact O-N 3Å; H274-Y277 PolarHBondContact O-N 3.37Å; H274-L278 WeakPolarHBondContact NE2-CD1 3.42Å; H274-L278 WeakPolarHBondContact O-CG 3.49Å; H274-L278 PolarHBondContact O-N 3.38Å
275Y98.8Very high97.4Very high12 Ų1258.6 Ų58.65%0.04727%0.273CS..Hα-helixtrans-73.1-34.3-178.2-72.3-64000112.7A232 E236 L253 L256 F260 K271 Y273 Y277 L278 A279A232-Y275 HydrophobicContact CB-CE2 4.44Å; A232-Y275 VanDerWaalsContact CB-OH 3.27Å; A232-Y275 WeakPolarHBondContact CB-OH 3.4Å; E236-Y275 PolarHBondContact OE1-OH 3.27Å; L253-Y275 HydrophobicContact CD2-CD1 3.82Å; L253-Y275 HydrophobicContact CD2-CE1 4.43Å; L256-Y275 HydrophobicContact CD2-CD1 3.72Å; L256-Y275 HydrophobicContact CD2-CD2 3.82Å; L256-Y275 HydrophobicContact CD2-CE1 3.61Å; L256-Y275 HydrophobicContact CD2-CE2 3.72Å; L256-Y275 HydrophobicContact CD2-CG 3.84Å; L256-Y275 HydrophobicContact CG-CD1 4.45Å; L256-Y275 HydrophobicContact CG-CD2 3.87Å; L256-Y275 HydrophobicContact CG-CE2 4.1Å; L256-Y275 HydrophobicContact CG-CG 4.08Å; F260-Y275 AromaticContact CD2-CD2 3.85Å; F260-Y275 HydrophobicContact CD2-CD2 3.85Å; F260-Y275 HydrophobicContact CD2-CE2 4.04Å; F260-Y275 AromaticContact CE2-CD2 3.83Å; F260-Y275 HydrophobicContact CE2-CD2 3.83Å; F260-Y275 AromaticContact CE2-CE2 3.54Å; F260-Y275 HydrophobicContact CE2-CE2 3.54Å; K271-Y275 HydrophobicContact CB-CD2 4.16Å; K271-Y275 HydrophobicContact CB-CE2 4.15Å; K271-Y275 HydrophobicContact CD-CE2 4.41Å; K271-Y275 HydrophobicContact CG-CE2 4.33Å; K271-Y275 VanDerWaalsContact O-CD2 3.24Å; K271-Y275 WeakPolarHBondContact O-CD2 3.29Å; K271-Y275 PolarHBondContact O-N 2.94Å; Y273-Y275 PolarHBondContact O-N 3.49Å; Y275-Y277 VanDerWaalsContact C-N 3.31Å; Y275-Y277 PolarHBondContact O-N 3.33Å; Y275-L278 HydrophobicContact CD1-CD1 4.09Å; Y275-L278 HydrophobicContact CE1-CD1 4.39Å; Y275-L278 PolarHBondContact O-N 3.19Å; Y275-A279 PolarHBondContact O-N 3.08Å
276L98.7Very high97.1Very high5 Ų553.6 Ų53.63%0.02625%0.252CS..Hα-helixtrans-61.3-40.9170.5-69.5174.8000111.4T272 Y273 A279 M280 L314 L324 E327 V331T272-L276 HydrophobicContact CG2-CD1 3.94Å; T272-L276 WeakPolarHBondContact O-CB 3.25Å; T272-L276 VanDerWaalsContact O-CG 3.24Å; T272-L276 WeakPolarHBondContact O-CG 3.37Å; T272-L276 PolarHBondContact O-N 3.47Å; T272-L276 VanDerWaalsContact O-N 3.11Å; Y273-L276 PolarHBondContact O-N 3.45Å; L276-A279 PolarHBondContact O-N 2.85Å; L276-M280 WeakPolarHBondContact O-CG 3.39Å; L276-M280 PolarHBondContact O-N 3.08Å; L276-L314 HydrophobicContact CB-CD1 4.24Å; L276-L314 HydrophobicContact CB-CD2 3.78Å; L276-L314 HydrophobicContact CD1-CD1 4.26Å; L276-L324 HydrophobicContact CD1-CD2 4.41Å; L276-E327 HydrophobicContact CD1-CG 4.04Å; L276-V331 HydrophobicContact CD2-CG2 4.44Å
277Y98.6Very high96.6Very high84 Ų8453.6 Ų53.633%0.32927%0.265SS..Hα-helixtrans-68.5-42.2177.7-175.3-101.5000111.9Y273 H274 Y275 A279 M280 L281 P311 L314Y273-Y277 HydrophobicContact CE1-CG 4.29Å; Y273-Y277 VanDerWaalsContact O-CB 3.25Å; Y273-Y277 WeakPolarHBondContact O-CB 3.33Å; Y273-Y277 PolarHBondContact O-N 2.98Å; Y273-Y277 WeakPolarHBondContact OH-CD2 3.33Å; H274-Y277 PolarHBondContact O-N 3.37Å; Y275-Y277 VanDerWaalsContact C-N 3.31Å; Y275-Y277 PolarHBondContact O-N 3.33Å; Y277-A279 VanDerWaalsContact C-N 3.3Å; Y277-A279 PolarHBondContact O-N 2.75Å; Y277-M280 WeakPolarHBondContact O-CB 3.49Å; Y277-M280 PolarHBondContact O-N 3.42Å; Y277-M280 VanDerWaalsContact O-N 3.11Å; Y277-L281 HydrophobicContact CD1-CD1 4.09Å; Y277-L281 HydrophobicContact CD1-CG 4.21Å; Y277-L281 HydrophobicContact CE1-CD1 3.67Å; Y277-L281 HydrophobicContact CE1-CD2 4.06Å; Y277-L281 HydrophobicContact CE1-CG 3.89Å; Y277-L281 WeakPolarHBondContact O-CG 3.25Å; Y277-L281 PolarHBondContact O-N 3.25Å; Y277-P311 HydrophobicContact CE2-CB 4.11Å; Y277-L314 HydrophobicContact CD2-CD2 4.49Å
278L98.2Very high96.2Very high57 Ų5757.5 Ų57.530%0.29829%0.292SS..Hα-helixtrans-58.5-42.3172.8-72.8-178.4000111.8L253 H274 Y275 M280 L281 E282L253-L278 HydrophobicContact CD1-CB 4.3Å; L253-L278 HydrophobicContact CD2-CB 4.41Å; H274-L278 WeakPolarHBondContact NE2-CD1 3.42Å; H274-L278 WeakPolarHBondContact O-CG 3.49Å; H274-L278 PolarHBondContact O-N 3.38Å; Y275-L278 HydrophobicContact CD1-CD1 4.09Å; Y275-L278 HydrophobicContact CE1-CD1 4.39Å; Y275-L278 PolarHBondContact O-N 3.19Å; L278-M280 VanDerWaalsContact C-N 3.3Å; L278-M280 PolarHBondContact O-N 2.94Å; L278-L281 HydrophobicContact CD2-CD1 4.44Å; L278-L281 PolarHBondContact O-N 3.25Å; L278-E282 WeakPolarHBondContact O-CG 3.19Å; L278-E282 PolarHBondContact O-N 3.35Å
279A98.3Very high95.9Very high0 Ų059.5 Ų59.50%030%0.303CS..Hα-helixtrans-61.9-38.5174.700000112.8L253 E254 Y275 L276 Y277 E282 R283L253-A279 HydrophobicContact CB-CB 3.76Å; E254-A279 HydrophobicContact CB-CB 4.43Å; E254-A279 HydrophobicContact CG-CB 3.39Å; Y275-A279 PolarHBondContact O-N 3.08Å; L276-A279 PolarHBondContact O-N 2.85Å; Y277-A279 VanDerWaalsContact C-N 3.3Å; Y277-A279 PolarHBondContact O-N 2.75Å; A279-E282 PolarHBondContact O-N 2.8Å; A279-R283 WeakPolarHBondContact O-CG 3.49Å; A279-R283 PolarHBondContact O-N 3.35Å
280M97.3Very high95.6Very high4 Ų461.9 Ų61.92%0.0232%0.315CS..Hα-helixtrans-63.2-44173.4-68.6-66.6176.400111.1L276 Y277 L278 E282 R283 F284 C308 P311 L314L276-M280 WeakPolarHBondContact O-CG 3.39Å; L276-M280 PolarHBondContact O-N 3.08Å; Y277-M280 WeakPolarHBondContact O-CB 3.49Å; Y277-M280 PolarHBondContact O-N 3.42Å; Y277-M280 VanDerWaalsContact O-N 3.11Å; L278-M280 VanDerWaalsContact C-N 3.3Å; L278-M280 PolarHBondContact O-N 2.94Å; M280-E282 VanDerWaalsContact C-N 3.29Å; M280-E282 PolarHBondContact O-N 2.79Å; M280-R283 PolarHBondContact O-N 3.26Å; M280-F284 VanDerWaalsContact O-CD2 3.27Å; M280-F284 WeakPolarHBondContact O-CD2 3.47Å; M280-F284 PolarHBondContact O-N 3.1Å; M280-F284 HydrophobicContact SD-CE2 4.36Å; M280-C308 HydrophobicContact CE-CB 4.33Å; M280-C308 VanDerWaalsContact CE-O 3.25Å; M280-C308 WeakPolarHBondContact CE-O 3.3Å; M280-P311 HydrophobicContact CB-CG 4.02Å; M280-L314 HydrophobicContact CG-CD2 3.95Å
281L96.1Very high95.3Very high78 Ų7857.5 Ų57.541%0.40829%0.292SS..Hα-helixtrans-59-41.1174.8-64.5-176000112Y277 L278 F284 Q285Y277-L281 HydrophobicContact CD1-CD1 4.09Å; Y277-L281 HydrophobicContact CD1-CG 4.21Å; Y277-L281 HydrophobicContact CE1-CD1 3.67Å; Y277-L281 HydrophobicContact CE1-CD2 4.06Å; Y277-L281 HydrophobicContact CE1-CG 3.89Å; Y277-L281 WeakPolarHBondContact O-CG 3.25Å; Y277-L281 PolarHBondContact O-N 3.25Å; L278-L281 HydrophobicContact CD2-CD1 4.44Å; L278-L281 PolarHBondContact O-N 3.25Å; L281-F284 CarbonylContact O-C 3.52Å; L281-F284 PolarHBondContact O-N 3.37Å; L281-Q285 WeakPolarHBondContact O-CA 3.46Å; L281-Q285 WeakPolarHBondContact O-CB 3.37Å; L281-Q285 PolarHBondContact O-N 3.31Å
282E95.5Very high94.9Very high46 Ų4661.5 Ų61.522%0.21531%0.313CS..Hα-helixtrans-64.3-38.3175.9-72-67.1149.900112.9R246 R249 I250 L253 L278 A279 M280R246-E282 PolarHBondContact NE-O 3.05Å; R246-E282 PolarHBondContact NH2-O 3.41Å; R249-E282 WeakPolarHBondContact CD-OE2 3.34Å; R249-E282 HydrophobicContact CG-CG 4.33Å; I250-E282 HydrophobicContact CD1-CB 4.43Å; I250-E282 HydrophobicContact CG1-CB 3.65Å; L253-E282 HydrophobicContact CD1-CG 3.85Å; L278-E282 WeakPolarHBondContact O-CG 3.19Å; L278-E282 PolarHBondContact O-N 3.35Å; A279-E282 PolarHBondContact O-N 2.8Å; M280-E282 VanDerWaalsContact C-N 3.29Å; M280-E282 PolarHBondContact O-N 2.79Å
283R95.4Very high94.6Very high13 Ų1362.6 Ų62.65%0.04932%0.317CS..Hα-helixtrans-63.2-41.5174.5-77.4-178.4-178.8-77.1-3.4112.4R246 I250 E254 A279 M280 L291 E292R246-R283 PolarHBondContact NH2-O 3.23Å; I250-R283 HydrophobicContact CD1-CB 4.5Å; I250-R283 HydrophobicContact CD1-CG 3.78Å; I250-R283 HydrophobicContact CG1-CG 4.1Å; I250-R283 HydrophobicContact CG2-CG 3.66Å; I250-R283 VanDerWaalsContact CG2-CZ 3.42Å; I250-R283 VanDerWaalsContact CG2-NE 3.34Å; E254-R283 IonicContact OE1-CZ 3.61Å; E254-R283 IonicContact OE1-NE 3.08Å; E254-R283 PolarHBondContact OE1-NE 2.82Å; E254-R283 IonicContact OE1-NH2 3.98Å; E254-R283 PolarHBondContact OE1-NH2 3.43Å; E254-R283 IonicContact OE2-CZ 3.77Å; E254-R283 IonicContact OE2-NH2 3.94Å; E254-R283 PolarHBondContact OE2-NH2 3.44Å; A279-R283 WeakPolarHBondContact O-CG 3.49Å; A279-R283 PolarHBondContact O-N 3.35Å; M280-R283 PolarHBondContact O-N 3.26Å; R283-L291 PolarHBondContact NH1-O 3.46Å; R283-E292 PolarHBondContact NH1-O 2.92Å
284F95Very high94.1Very high78 Ų7868.2 Ų68.234%0.34235%0.345SS..Hα-helixtrans-98.86.6-174.4-70.9-93.2000113.8M280 L281 D286 I290 R309 N310 P311M280-F284 VanDerWaalsContact O-CD2 3.27Å; M280-F284 WeakPolarHBondContact O-CD2 3.47Å; M280-F284 PolarHBondContact O-N 3.1Å; M280-F284 HydrophobicContact SD-CE2 4.36Å; L281-F284 CarbonylContact O-C 3.52Å; L281-F284 PolarHBondContact O-N 3.37Å; F284-D286 VanDerWaalsContact C-N 3.34Å; F284-D286 PolarHBondContact O-N 3.48Å; F284-I290 HydrophobicContact CD1-CD1 3.92Å; F284-I290 HydrophobicContact CD1-CG1 4.28Å; F284-I290 HydrophobicContact CD1-CG2 4.21Å; F284-I290 HydrophobicContact CE1-CD1 4.02Å; F284-I290 HydrophobicContact CE1-CG2 4.01Å; F284-I290 HydrophobicContact CZ-CG2 4.26Å; F284-R309 WeakPolarHBondContact CE2-O 3.4Å; F284-R309 WeakPolarHBondContact CZ-O 3.32Å; F284-N310 HydrophobicContact CE2-CB 4.21Å; F284-N310 HydrophobicContact CZ-CB 3.79Å; F284-P311 HydrophobicContact CD2-CG 4.41Å
285Q91.1Very high93.4Very high140 Ų14067.2 Ų67.265%0.65435%0.345SS*.SBendtrans-59.3-42.7-179.5-175.9-176.753.200112.6L281L281-Q285 WeakPolarHBondContact O-CA 3.46Å; L281-Q285 WeakPolarHBondContact O-CB 3.37Å; L281-Q285 PolarHBondContact O-N 3.31Å
286D90Very high92.9Very high67 Ų6769.3 Ų69.336%0.35836%0.357SS..SBendtrans-106.1103.2174.5-176.8-6.6000108.8F284 D288 N289 I290F284-D286 VanDerWaalsContact C-N 3.34Å; F284-D286 PolarHBondContact O-N 3.48Å; D286-D288 PolarHBondContact O-N 2.86Å; D286-D288 PolarHBondContact OD1-N 3.37Å; D286-D288 VanDerWaalsContact OD1-N 3.12Å; D286-N289 HydrophobicContact CB-CB 4.41Å; D286-N289 CarbonylContact O-C 3.45Å; D286-N289 VanDerWaalsContact O-C 3.26Å; D286-N289 PolarHBondContact O-N 3.29Å; D286-N289 VanDerWaalsContact O-N 3.16Å; D286-N289 PolarHBondContact OD1-N 3.23Å; D286-N289 WeakPolarHBondContact OD2-CB 3.42Å; D286-I290 PolarHBondContact O-N 2.93Å
287G87.4Confident92.5Very high56 Ų5673.9 Ų73.958%0.57739%0.386SS*.THydrogen-bonded Turntrans-65-22.5-177.200000114.2
288D90.7Very high92.1Very high166 Ų16673.5 Ų73.589%0.88839%0.394SS*.THydrogen-bonded Turntrans-87.4-14.2177.9-66.4-35.4000112.1D286D286-D288 PolarHBondContact O-N 2.86Å; D286-D288 PolarHBondContact OD1-N 3.37Å; D286-D288 VanDerWaalsContact OD1-N 3.12Å
289N90.4Very high91.9Very high89 Ų8972.1 Ų72.148%0.47639%0.387SS..SBendtrans-138.962.3-177.5-172.323.3000111.2R246 D286 L291R246-N289 PolarHBondContact NH1-O 2.67Å; D286-N289 HydrophobicContact CB-CB 4.41Å; D286-N289 CarbonylContact O-C 3.45Å; D286-N289 VanDerWaalsContact O-C 3.26Å; D286-N289 PolarHBondContact O-N 3.29Å; D286-N289 VanDerWaalsContact O-N 3.16Å; D286-N289 PolarHBondContact OD1-N 3.23Å; D286-N289 WeakPolarHBondContact OD2-CB 3.42Å; N289-L291 PolarHBondContact O-N 2.9Å
290I92.4Very high91.7Very high66 Ų6677.5 Ų77.534%0.33841%0.412SS..  trans-71.1125.7176.3-60.8170.3000108.9F284 D286 E292F284-I290 HydrophobicContact CD1-CD1 3.92Å; F284-I290 HydrophobicContact CD1-CG1 4.28Å; F284-I290 HydrophobicContact CD1-CG2 4.21Å; F284-I290 HydrophobicContact CE1-CD1 4.02Å; F284-I290 HydrophobicContact CE1-CG2 4.01Å; F284-I290 HydrophobicContact CZ-CG2 4.26Å; D286-I290 PolarHBondContact O-N 2.93Å; I290-E292 HydrophobicContact CG2-CG 4.49Å; I290-E292 PolarHBondContact O-N 3.42Å
291L91.7Very high91.7Very high39 Ų3977.5 Ų77.520%0.20441%0.413CS..  trans-85.597.7173.2-66.6176.2000109R246 I250 R283 N289R246-L291 HydrophobicContact CB-CD1 4.41Å; R246-L291 HydrophobicContact CG-CD1 3.95Å; I250-L291 HydrophobicContact CD1-CB 4.27Å; I250-L291 HydrophobicContact CD1-CD1 3.6Å; R283-L291 PolarHBondContact NH1-O 3.46Å; N289-L291 PolarHBondContact O-N 2.9Å
292E91.3Very high91.7Very high168 Ų16873.9 Ų73.979%0.78539%0.394SS*.  trans-67.7157.8178.4-62.8-169.5174.100112.4R283 I290R283-E292 PolarHBondContact NH1-O 2.92Å; I290-E292 HydrophobicContact CG2-CG 4.49Å; I290-E292 PolarHBondContact O-N 3.42Å
293K91.6Very high91.5Very high23 Ų2373.8 Ų73.810%0.141%0.405CS..  trans-84.8139.4175.7-64.2-163.7176.4-1780110.7E254 V295 E307 C308 E327E254-K293 VanDerWaalsContact OE1-CE 3.27Å; E254-K293 WeakPolarHBondContact OE1-CE 3.27Å; K293-V295 HydrophobicContact CB-CG2 4.44Å; K293-V295 PolarHBondContact O-N 3.31Å; K293-V295 VanDerWaalsContact O-N 3.13Å; K293-E307 WeakPolarHBondContact CB-OE1 3.47Å; K293-E307 HydrophobicContact CD-CG 3.99Å; K293-E307 VanDerWaalsContact CD-OE1 3.26Å; K293-E307 WeakPolarHBondContact CD-OE1 3.48Å; K293-E307 WeakPolarHBondContact CD-OE2 3.43Å; K293-E307 IonicContact NZ-OE2 3.21Å; K293-E307 PolarHBondContact NZ-OE2 2.82Å; K293-C308 WeakPolarHBondContact CE-O 3.45Å; K293-C308 PolarHBondContact NZ-O 2.9Å; K293-E327 IonicContact NZ-OE1 2.9Å
294E88.9Confident91.4Very high152 Ų15277.7 Ų77.771%0.7143%0.427SS*.  trans-78.190.3165.8-67.7-179.5-170.900109L296 R334E294-L296 PolarHBondContact O-N 3.32Å; E294-R334 WeakPolarHBondContact O-CD 3.25Å
295V84.2Confident91.2Very high69 Ų6978 Ų7842%0.41843%0.426SS..PPolyproline II helixtrans-69.4121.7-172.9-177.30000110.6K293 R309K293-V295 HydrophobicContact CB-CG2 4.44Å; K293-V295 PolarHBondContact O-N 3.31Å; K293-V295 VanDerWaalsContact O-N 3.13Å; V295-R309 HydrophobicContact CG2-CG 4.31Å
296L88.4Confident91.1Very high56 Ų5675 Ų7529%0.29342%0.417SS..PPolyproline II helixtrans-70151.1172.6-64.7-179000111.3E294 E333 R334E294-L296 PolarHBondContact O-N 3.32Å; L296-E333 HydrophobicContact CD1-CB 4.4Å; L296-E333 HydrophobicContact CD1-CG 4.29Å; L296-R334 HydrophobicContact CD1-CB 3.88Å; L296-R334 HydrophobicContact CG-CB 4.1Å; L296-R334 HydrophobicContact CG-CG 4.47Å
297P89.3Confident91.3Very high100 Ų10071.9 Ų71.965%0.64940%0.401SS*.PPolyproline II helixtrans-54.4146.8169.6-23.633.8000111.6I299P297-I299 PolarHBondContact O-N 3.32Å
298P91.6Very high91.7Very high76 Ų7669.8 Ų69.849%0.49438%0.377SS..PPolyproline II helixtrans-55.3126.1177-23.631.8000111.6N304 T306P298-N304 HydrophobicContact CB-CB 4.38Å; P298-T306 HydrophobicContact CB-CG2 4.48Å; P298-T306 HydrophobicContact CG-CG2 3.85Å
299I93.2Very high91.9Very high28 Ų2868.6 Ų68.614%0.14436%0.36CS..PPolyproline II helixtrans-97.8121.5179.2-65.5166.3000108.2P297 A301 Y302 N304P297-I299 PolarHBondContact O-N 3.32Å; I299-A301 HydrophobicContact CG2-CB 4.11Å; I299-A301 PolarHBondContact O-N 3.18Å; I299-Y302 HydrophobicContact CB-CD2 3.56Å; I299-Y302 HydrophobicContact CB-CE2 4.02Å; I299-Y302 HydrophobicContact CB-CG 4.23Å; I299-Y302 HydrophobicContact CD1-CD2 3.78Å; I299-Y302 HydrophobicContact CD1-CE2 3.46Å; I299-Y302 VanDerWaalsContact CD1-CE2 3.46Å; I299-Y302 HydrophobicContact CG1-CD2 4.23Å; I299-Y302 HydrophobicContact CG1-CE2 4.33Å; I299-Y302 HydrophobicContact CG2-CD2 3.71Å; I299-Y302 HydrophobicContact CG2-CE2 3.89Å; I299-Y302 HydrophobicContact CG2-CG 4.13Å; I299-Y302 PolarHBondContact O-N 3.19Å; I299-N304 PolarHBondContact O-N 3.27Å; I299-N304 VanDerWaalsContact O-N 3.17Å
300H94Very high92.1Very high113 Ų11366 Ų6652%0.52335%0.347SS..G310 helixtrans-54.6-39.2-178.4174.8-110.7000112.9Y302 G303 N304H300-Y302 PolarHBondContact O-N 3.13Å; H300-G303 PolarHBondContact O-N 3.24Å; H300-G303 VanDerWaalsContact O-N 3.1Å; H300-N304 WeakPolarHBondContact CA-OD1 3.33Å
301A96.8Very high92.3Very high5 Ų563.9 Ų63.94%0.04134%0.337CS..G310 helixtrans-64.3-23.2178.800000114I299 G303 Q362 K365 L366 H369I299-A301 HydrophobicContact CG2-CB 4.11Å; I299-A301 PolarHBondContact O-N 3.18Å; A301-G303 VanDerWaalsContact C-N 3.29Å; A301-G303 PolarHBondContact O-N 3.13Å; A301-Q362 PolarHBondContact O-NE2 2.93Å; A301-K365 HydrophobicContact CB-CB 4.33Å; A301-K365 VanDerWaalsContact CB-O 3.31Å; A301-K365 WeakPolarHBondContact CB-O 3.27Å; A301-L366 HydrophobicContact CB-CD2 4.34Å; A301-L366 WeakPolarHBondContact O-CD2 3.23Å; A301-H369 HydrophobicContact CB-CB 3.57Å
302Y96.7Very high92.5Very high1 Ų168.6 Ų68.60%0.00436%0.358CS..G310 helixtrans-96.525.7176.3-51.5-33.8000112.1I299 H300 N304 R305 M326 L329 I330 E333 I347 L366 H369I299-Y302 HydrophobicContact CB-CD2 3.56Å; I299-Y302 HydrophobicContact CB-CE2 4.02Å; I299-Y302 HydrophobicContact CB-CG 4.23Å; I299-Y302 HydrophobicContact CD1-CD2 3.78Å; I299-Y302 HydrophobicContact CD1-CE2 3.46Å; I299-Y302 VanDerWaalsContact CD1-CE2 3.46Å; I299-Y302 HydrophobicContact CG1-CD2 4.23Å; I299-Y302 HydrophobicContact CG1-CE2 4.33Å; I299-Y302 HydrophobicContact CG2-CD2 3.71Å; I299-Y302 HydrophobicContact CG2-CE2 3.89Å; I299-Y302 HydrophobicContact CG2-CG 4.13Å; I299-Y302 PolarHBondContact O-N 3.19Å; H300-Y302 PolarHBondContact O-N 3.13Å; Y302-N304 VanDerWaalsContact C-N 3.31Å; Y302-N304 PolarHBondContact O-N 3.18Å; Y302-R305 WeakPolarHBondContact O-CB 3.34Å; Y302-R305 VanDerWaalsContact O-CG 3.25Å; Y302-R305 WeakPolarHBondContact O-CG 3.25Å; Y302-R305 PolarHBondContact O-N 2.83Å; Y302-M326 HydrophobicContact CD1-SD 4.01Å; Y302-M326 HydrophobicContact CG-SD 4.48Å; Y302-L329 HydrophobicContact CD1-CB 4.12Å; Y302-L329 HydrophobicContact CD1-CD1 4.01Å; Y302-L329 HydrophobicContact CE1-CB 3.69Å; Y302-L329 HydrophobicContact CE1-CD1 3.69Å; Y302-L329 HydrophobicContact CE1-CG 4.33Å; Y302-L329 HydrophobicContact CE2-CB 4.37Å; Y302-I330 HydrophobicContact CD2-CD1 4.41Å; Y302-I330 HydrophobicContact CD2-CG1 3.44Å; Y302-I330 VanDerWaalsContact CD2-CG1 3.44Å; Y302-I330 HydrophobicContact CE2-CG1 4.14Å; Y302-I330 HydrophobicContact CG-CG1 4.04Å; Y302-E333 WeakPolarHBondContact CE2-OE2 3.22Å; Y302-E333 PolarHBondContact OH-OE2 3.13Å; Y302-I347 HydrophobicContact CE1-CG1 4.39Å; Y302-I347 WeakPolarHBondContact OH-CD1 3.43Å; Y302-I347 WeakPolarHBondContact OH-CG1 3.44Å; Y302-L366 HydrophobicContact CD1-CD2 3.75Å; Y302-L366 HydrophobicContact CE1-CD2 3.81Å; Y302-H369 AromaticContact CZ-CD2 3.64Å; Y302-H369 AromaticContact CZ-NE2 3.78Å; Y302-H369 PolarHBondContact OH-CD2 3.46Å; Y302-H369 VanDerWaalsContact OH-CD2 3.23Å; Y302-H369 PolarHBondContact OH-NE2 2.92Å
303G91.9Very high92.8Very high45 Ų4563.1 Ų63.146%0.46433%0.332SS..THydrogen-bonded Turntrans71.723.4-179.600000113.8H300 A301 R305H300-G303 PolarHBondContact O-N 3.24Å; H300-G303 VanDerWaalsContact O-N 3.1Å; A301-G303 VanDerWaalsContact C-N 3.29Å; A301-G303 PolarHBondContact O-N 3.13Å; G303-R305 PolarHBondContact O-N 3.15Å
304N92.3Very high93.1Very high95 Ų9562 Ų6251%0.50833%0.328SS..THydrogen-bonded Turntrans55.525.2-170.5-54.6-67.9000113.3P298 I299 H300 Y302P298-N304 HydrophobicContact CB-CB 4.38Å; I299-N304 PolarHBondContact O-N 3.27Å; I299-N304 VanDerWaalsContact O-N 3.17Å; H300-N304 WeakPolarHBondContact CA-OD1 3.33Å; Y302-N304 VanDerWaalsContact C-N 3.31Å; Y302-N304 PolarHBondContact O-N 3.18Å
305R90.6Very high93.6Very high83 Ų8358.9 Ų58.931%0.31331%0.313SS..  trans-72.3147.5175-65.1176.7-175.3-9715.2110Y302 G303 D320 D322 I330Y302-R305 WeakPolarHBondContact O-CB 3.34Å; Y302-R305 VanDerWaalsContact O-CG 3.25Å; Y302-R305 WeakPolarHBondContact O-CG 3.25Å; Y302-R305 PolarHBondContact O-N 2.83Å; G303-R305 PolarHBondContact O-N 3.15Å; R305-D320 IonicContact NH2-OD2 3.99Å; R305-D322 IonicContact CZ-OD2 3.44Å; R305-D322 IonicContact NH2-OD2 3.94Å; R305-D322 PolarHBondContact NH2-OD2 2.82Å; R305-D322 VanDerWaalsContact NH2-OD2 3.08Å; R305-I330 HydrophobicContact CB-CD1 3.98Å
306T90.1Very high94.2Very high77 Ų7760.2 Ų60.247%0.47233%0.325SS..  trans-107.5146.2164.254.50000108.3P298P298-T306 HydrophobicContact CB-CG2 4.48Å; P298-T306 HydrophobicContact CG-CG2 3.85Å
307E94.3Very high94.7Very high3 Ų358.5 Ų58.51%0.01432%0.316CS..  trans-60.3148.8-179.860.8176.5169.800112.8K293 E327 I330 R334K293-E307 WeakPolarHBondContact CB-OE1 3.47Å; K293-E307 HydrophobicContact CD-CG 3.99Å; K293-E307 VanDerWaalsContact CD-OE1 3.26Å; K293-E307 WeakPolarHBondContact CD-OE1 3.48Å; K293-E307 WeakPolarHBondContact CD-OE2 3.43Å; K293-E307 IonicContact NZ-OE2 3.21Å; K293-E307 PolarHBondContact NZ-OE2 2.82Å; E307-E327 VanDerWaalsContact CA-OE2 3.25Å; E307-E327 WeakPolarHBondContact CA-OE2 3.49Å; E307-I330 HydrophobicContact CB-CG2 3.79Å; E307-I330 HydrophobicContact CG-CG2 4.34Å; E307-R334 WeakPolarHBondContact OE1-CD 3.22Å; E307-R334 IonicContact OE1-NE 2.86Å; E307-R334 PolarHBondContact OE1-NE 3.38Å; E307-R334 VanDerWaalsContact OE1-NE 3.11Å; E307-R334 IonicContact OE2-CZ 3.6Å; E307-R334 IonicContact OE2-NE 3.37Å; E307-R334 PolarHBondContact OE2-NE 3.01Å; E307-R334 IonicContact OE2-NH2 3.06Å
308C95.9Very high95.1Very high12 Ų1258.9 Ų58.98%0.08130%0.304CS..  trans-62.2139.7171.4-66.30000110.4M280 K293 E313 L314 I317 E327M280-C308 HydrophobicContact CE-CB 4.33Å; M280-C308 VanDerWaalsContact CE-O 3.25Å; M280-C308 WeakPolarHBondContact CE-O 3.3Å; K293-C308 WeakPolarHBondContact CE-O 3.45Å; K293-C308 PolarHBondContact NZ-O 2.9Å; C308-E313 HydrophobicContact CB-CB 3.98Å; C308-L314 HydrophobicContact CB-CB 4.26Å; C308-I317 VanDerWaalsContact SG-CD1 3.59Å; C308-E327 PolarHBondContact N-OE1 2.95Å; C308-E327 PolarHBondContact N-OE2 3.02Å
309R94.8Very high95.4Very high140 Ų14062 Ų6253%0.52831%0.313SS..  trans-111.4-14.7-175.5-61.7173.1-62.9170.74.4113.8F284 V295 E313F284-R309 WeakPolarHBondContact CE2-O 3.4Å; F284-R309 WeakPolarHBondContact CZ-O 3.32Å; V295-R309 HydrophobicContact CG2-CG 4.31Å; R309-E313 IonicContact CZ-OE1 3.16Å; R309-E313 PolarHBondContact N-OE2 3.02Å; R309-E313 IonicContact NE-OE1 2.7Å; R309-E313 IonicContact NE-OE2 2.82Å; R309-E313 IonicContact NH2-OE1 3.65Å; R309-E313 PolarHBondContact NH2-OE1 3.26Å
310N94.8Very high95.6Very high36 Ų3663.8 Ų63.819%0.19332%0.322CS..SBendtrans-144.9164.1-178.560.264.6000111.6F284 Q312 E313 L314F284-N310 HydrophobicContact CE2-CB 4.21Å; F284-N310 HydrophobicContact CZ-CB 3.79Å; N310-Q312 VanDerWaalsContact C-N 3.25Å; N310-Q312 PolarHBondContact O-N 2.98Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.45Å; N310-Q312 PolarHBondContact OD1-N 3.45Å; N310-Q312 PolarHBondContact OD1-OE1 3.22Å; N310-E313 PolarHBondContact ND2-OE1 3.48Å; N310-E313 VanDerWaalsContact ND2-OE1 3.1Å; N310-E313 PolarHBondContact O-N 3.08Å; N310-E313 WeakPolarHBondContact OD1-CG 3.09Å; N310-E313 PolarHBondContact OD1-N 2.92Å; N310-L314 PolarHBondContact O-N 3.13Å; N310-L314 VanDerWaalsContact O-N 3.1Å
311P95.9Very high95.8Very high21 Ų2166 Ų6614%0.13633%0.326CS..Hα-helixtrans-56.5-33.6179.6-25.431.8000114.5Y277 M280 F284 L314 E315Y277-P311 HydrophobicContact CE2-CB 4.11Å; M280-P311 HydrophobicContact CB-CG 4.02Å; F284-P311 HydrophobicContact CD2-CG 4.41Å; P311-L314 PolarHBondContact O-N 3.32Å; P311-E315 WeakPolarHBondContact O-CB 3.27Å; P311-E315 PolarHBondContact O-N 3.03Å
312Q96.8Very high95.8Very high138 Ų13868.5 Ų68.565%0.64534%0.339SS*.Hα-helixtrans-71.9-42.8-178.5-66.276.312.300111.7N310 L314 E315 S316N310-Q312 VanDerWaalsContact C-N 3.25Å; N310-Q312 PolarHBondContact O-N 2.98Å; N310-Q312 WeakPolarHBondContact OD1-CB 3.45Å; N310-Q312 PolarHBondContact OD1-N 3.45Å; N310-Q312 PolarHBondContact OD1-OE1 3.22Å; Q312-L314 VanDerWaalsContact C-N 3.32Å; Q312-E315 PolarHBondContact O-N 3.29Å; Q312-S316 PolarHBondContact O-N 3.06Å; Q312-S316 VanDerWaalsContact O-N 3.08Å
313E97.3Very high95.8Very high53 Ų5368.5 Ų68.525%0.24834%0.339CS..Hα-helixtrans-59.1-44.6171.5-73.9175.4-167.600110.1C308 R309 N310 S316C308-E313 HydrophobicContact CB-CB 3.98Å; R309-E313 IonicContact CZ-OE1 3.16Å; R309-E313 PolarHBondContact N-OE2 3.02Å; R309-E313 IonicContact NE-OE1 2.7Å; R309-E313 IonicContact NE-OE2 2.82Å; R309-E313 IonicContact NH2-OE1 3.65Å; R309-E313 PolarHBondContact NH2-OE1 3.26Å; N310-E313 PolarHBondContact ND2-OE1 3.48Å; N310-E313 VanDerWaalsContact ND2-OE1 3.1Å; N310-E313 PolarHBondContact O-N 3.08Å; N310-E313 WeakPolarHBondContact OD1-CG 3.09Å; N310-E313 PolarHBondContact OD1-N 2.92Å; E313-S316 WeakPolarHBondContact O-CB 3.32Å; E313-S316 PolarHBondContact O-N 3.32Å; E313-S316 PolarHBondContact O-OG 3.45Å
314L97.9Very high96.1Very high0 Ų066.5 Ų66.50%032%0.318CS..Hα-helixtrans-65.8-40.7177.7-17662.3000112.8Y273 L276 Y277 M280 C308 N310 P311 Q312 S316 I317 R318 L324Y273-L314 HydrophobicContact CD2-CD1 4.42Å; Y273-L314 HydrophobicContact CD2-CG 4.17Å; Y273-L314 HydrophobicContact CE2-CD2 4.39Å; Y273-L314 HydrophobicContact CE2-CG 3.89Å; L276-L314 HydrophobicContact CB-CD1 4.24Å; L276-L314 HydrophobicContact CB-CD2 3.78Å; L276-L314 HydrophobicContact CD1-CD1 4.26Å; Y277-L314 HydrophobicContact CD2-CD2 4.49Å; M280-L314 HydrophobicContact CG-CD2 3.95Å; C308-L314 HydrophobicContact CB-CB 4.26Å; N310-L314 PolarHBondContact O-N 3.13Å; N310-L314 VanDerWaalsContact O-N 3.1Å; P311-L314 PolarHBondContact O-N 3.32Å; Q312-L314 VanDerWaalsContact C-N 3.32Å; L314-S316 PolarHBondContact O-N 2.89Å; L314-I317 HydrophobicContact CD1-CD1 4.13Å; L314-I317 HydrophobicContact CD1-CG1 4.19Å; L314-I317 VanDerWaalsContact O-CG1 3.23Å; L314-I317 WeakPolarHBondContact O-CG1 3.42Å; L314-I317 PolarHBondContact O-N 3.21Å; L314-R318 PolarHBondContact O-N 3.24Å; L314-L324 HydrophobicContact CD1-CD2 4.28Å
315E98.2Very high96.4Very high86 Ų8662.7 Ų62.740%0.40230%0.297SS..Hα-helixtrans-61.4-35.8175.6-177.757.9-153.700111.6Y273 P311 Q312 I317 R318Y273-E315 PolarHBondContact OH-OE2 2.96Å; P311-E315 WeakPolarHBondContact O-CB 3.27Å; P311-E315 PolarHBondContact O-N 3.03Å; Q312-E315 PolarHBondContact O-N 3.29Å; E315-I317 PolarHBondContact O-N 3.44Å; E315-R318 VanDerWaalsContact O-CB 3.29Å; E315-R318 WeakPolarHBondContact O-CB 3.49Å; E315-R318 PolarHBondContact O-N 2.9Å; E315-R318 VanDerWaalsContact O-N 3.1Å; E315-R318 IonicContact OE1-CZ 3.18Å; E315-R318 IonicContact OE1-NE 3.47Å; E315-R318 PolarHBondContact OE1-NE 3.42Å; E315-R318 IonicContact OE1-NH2 2.66Å; E315-R318 WeakPolarHBondContact OE2-CD 3.27Å; E315-R318 IonicContact OE2-NE 3.94Å
316S98Very high96.8Very high96 Ų9658.8 Ų58.867%0.67128%0.282SS*.Hα-helixtrans-61.9-26.7179.680.60000113.4Q312 E313 L314Q312-S316 PolarHBondContact O-N 3.06Å; Q312-S316 VanDerWaalsContact O-N 3.08Å; E313-S316 WeakPolarHBondContact O-CB 3.32Å; E313-S316 PolarHBondContact O-N 3.32Å; E313-S316 PolarHBondContact O-OG 3.45Å; L314-S316 PolarHBondContact O-N 2.89Å
317I97.4Very high97.2Very high21 Ų2155.5 Ų55.511%0.10826%0.261CS..THydrogen-bonded Turntrans-101.72.717866.7164.2000113.4C308 L314 E315 Q319 D320 A323 L324 E327C308-I317 VanDerWaalsContact SG-CD1 3.59Å; L314-I317 HydrophobicContact CD1-CD1 4.13Å; L314-I317 HydrophobicContact CD1-CG1 4.19Å; L314-I317 VanDerWaalsContact O-CG1 3.23Å; L314-I317 WeakPolarHBondContact O-CG1 3.42Å; L314-I317 PolarHBondContact O-N 3.21Å; E315-I317 PolarHBondContact O-N 3.44Å; I317-Q319 PolarHBondContact O-N 2.89Å; I317-Q319 VanDerWaalsContact O-N 3.11Å; I317-D320 PolarHBondContact O-N 3.1Å; I317-A323 HydrophobicContact CB-CB 3.86Å; I317-A323 HydrophobicContact CD1-CB 4.31Å; I317-A323 HydrophobicContact CG2-CB 3.96Å; I317-L324 HydrophobicContact CD1-CD2 3.92Å; I317-L324 HydrophobicContact CG1-CD2 4.12Å; I317-E327 HydrophobicContact CD1-CB 4.17Å; I317-E327 HydrophobicContact CD1-CG 4.31Å
318R98Very high97.4Very high107 Ų10755.3 Ų55.340%0.40426%0.261SS..THydrogen-bonded Turntrans-55.3-35.9-175-175.7174.370.488.14114Y273 L314 E315Y273-R318 HydrophobicContact CD1-CG 4.15Å; Y273-R318 HydrophobicContact CD2-CB 3.78Å; Y273-R318 HydrophobicContact CD2-CG 3.56Å; Y273-R318 HydrophobicContact CE1-CG 4.17Å; Y273-R318 HydrophobicContact CE2-CB 3.54Å; Y273-R318 HydrophobicContact CE2-CG 3.52Å; Y273-R318 HydrophobicContact CG-CG 3.88Å; Y273-R318 VanDerWaalsContact CZ-CD 3.46Å; L314-R318 PolarHBondContact O-N 3.24Å; E315-R318 VanDerWaalsContact O-CB 3.29Å; E315-R318 WeakPolarHBondContact O-CB 3.49Å; E315-R318 PolarHBondContact O-N 2.9Å; E315-R318 VanDerWaalsContact O-N 3.1Å; E315-R318 IonicContact OE1-CZ 3.18Å; E315-R318 IonicContact OE1-NE 3.47Å; E315-R318 PolarHBondContact OE1-NE 3.42Å; E315-R318 IonicContact OE1-NH2 2.66Å; E315-R318 WeakPolarHBondContact OE2-CD 3.27Å; E315-R318 IonicContact OE2-NE 3.94Å
319Q97.4Very high97.5Very high143 Ų14354.9 Ų54.967%0.66826%0.257SS*.THydrogen-bonded Turntrans-91.4-11179.3-63-59.4-37.100113.3I317 R321I317-Q319 PolarHBondContact O-N 2.89Å; I317-Q319 VanDerWaalsContact O-N 3.11Å; Q319-R321 PolarHBondContact O-N 2.7Å
320D97.9Very high97.6Very high65 Ų6548.6 Ų48.635%0.34823%0.234SC..  trans-92.596.9178.8-175.4-11.6000109.3R305 I317 D322 A323 L324R305-D320 IonicContact NH2-OD2 3.99Å; I317-D320 PolarHBondContact O-N 3.1Å; D320-D322 VanDerWaalsContact C-N 3.31Å; D320-D322 PolarHBondContact O-N 3.42Å; D320-D322 WeakPolarHBondContact OD1-CB 3.49Å; D320-D322 PolarHBondContact OD1-N 2.97Å; D320-A323 HydrophobicContact CB-CB 3.78Å; D320-A323 PolarHBondContact O-N 2.66Å; D320-A323 PolarHBondContact OD1-N 3.26Å; D320-A323 WeakPolarHBondContact OD2-CB 3.15Å; D320-L324 PolarHBondContact O-N 3.3Å
321R97.9Very high97.7Very high160 Ų16046.9 Ų46.960%0.60423%0.225SC*.Hα-helixtrans-62.4-39.5-178.1-63.9-173.2177.5-168.9-1.8112.2I269 Q319 L324 H325I269-R321 HydrophobicContact CG1-CB 4.48Å; I269-R321 HydrophobicContact CG1-CG 4.25Å; Q319-R321 PolarHBondContact O-N 2.7Å; R321-L324 PolarHBondContact O-N 3.42Å; R321-H325 PolarHBondContact O-CE1 3Å; R321-H325 PolarHBondContact O-N 3.44Å; R321-H325 PolarHBondContact O-ND1 3.39Å
322D97.3Very high97.8Very high56 Ų5646 Ų4630%0.29922%0.219SC..Hα-helixtrans-62.9-46.6178.8175.588.7000110.5R305 D320 L324 H325 M326 Y354R305-D322 IonicContact CZ-OD2 3.44Å; R305-D322 IonicContact NH2-OD2 3.94Å; R305-D322 PolarHBondContact NH2-OD2 2.82Å; R305-D322 VanDerWaalsContact NH2-OD2 3.08Å; D320-D322 VanDerWaalsContact C-N 3.31Å; D320-D322 PolarHBondContact O-N 3.42Å; D320-D322 WeakPolarHBondContact OD1-CB 3.49Å; D320-D322 PolarHBondContact OD1-N 2.97Å; D322-L324 VanDerWaalsContact C-N 3.31Å; D322-L324 PolarHBondContact O-N 3.02Å; D322-H325 WeakPolarHBondContact O-CB 3.14Å; D322-H325 PolarHBondContact O-N 3.05Å; D322-H325 VanDerWaalsContact O-N 3.14Å; D322-M326 PolarHBondContact O-N 3.26Å; D322-Y354 PolarHBondContact OD1-OH 2.89Å
323A97.7Very high97.8Very high2 Ų240.1 Ų40.12%0.01719%0.191CC..Hα-helixtrans-59.3-41.7175.100000112.1I317 D320 M326 E327I317-A323 HydrophobicContact CB-CB 3.86Å; I317-A323 HydrophobicContact CD1-CB 4.31Å; I317-A323 HydrophobicContact CG2-CB 3.96Å; D320-A323 HydrophobicContact CB-CB 3.78Å; D320-A323 PolarHBondContact O-N 2.66Å; D320-A323 PolarHBondContact OD1-N 3.26Å; D320-A323 WeakPolarHBondContact OD2-CB 3.15Å; A323-M326 PolarHBondContact O-N 2.94Å; A323-E327 VanDerWaalsContact O-CB 3.29Å; A323-E327 WeakPolarHBondContact O-CB 3.18Å; A323-E327 PolarHBondContact O-N 3.11Å
324L98.5Very high97.7Very high2 Ų239.3 Ų39.31%0.0119%0.186CC..Hα-helixtrans-66-35.2175.9-72.6173.8000112.8I269 T272 Y273 L276 L314 I317 D320 R321 D322 G328I269-L324 HydrophobicContact CD1-CB 3.67Å; I269-L324 HydrophobicContact CD1-CD1 4.01Å; I269-L324 HydrophobicContact CG1-CB 4.48Å; I269-L324 HydrophobicContact CG1-CD1 3.96Å; T272-L324 HydrophobicContact CG2-CB 4.36Å; Y273-L324 HydrophobicContact CD2-CD2 4.42Å; L276-L324 HydrophobicContact CD1-CD2 4.41Å; L314-L324 HydrophobicContact CD1-CD2 4.28Å; I317-L324 HydrophobicContact CD1-CD2 3.92Å; I317-L324 HydrophobicContact CG1-CD2 4.12Å; D320-L324 PolarHBondContact O-N 3.3Å; R321-L324 PolarHBondContact O-N 3.42Å; D322-L324 VanDerWaalsContact C-N 3.31Å; D322-L324 PolarHBondContact O-N 3.02Å; L324-G328 PolarHBondContact O-N 2.97Å
325H98.4Very high97.7Very high15 Ų1539.9 Ų39.97%0.06919%0.189CC..Hα-helixtrans-63.9-45.7173.4-60.4145.8000111.4A261 N262 Y267 R321 D322 G328 L329 R350A261-H325 PolarHBondContact O-CD2 3.08Å; A261-H325 VanDerWaalsContact O-CD2 3.23Å; N262-H325 PolarHBondContact ND2-O 3.36Å; Y267-H325 AromaticContact CE2-CD2 3.96Å; Y267-H325 AromaticContact CE2-NE2 3.35Å; Y267-H325 VanDerWaalsContact CE2-NE2 3.35Å; Y267-H325 WeakPolarHBondContact CE2-NE2 3.27Å; Y267-H325 AromaticContact CZ-NE2 3.51Å; Y267-H325 PolarHBondContact OH-CE1 2.88Å; Y267-H325 PolarHBondContact OH-NE2 3.49Å; R321-H325 PolarHBondContact O-CE1 3Å; R321-H325 PolarHBondContact O-N 3.44Å; R321-H325 PolarHBondContact O-ND1 3.39Å; D322-H325 WeakPolarHBondContact O-CB 3.14Å; D322-H325 PolarHBondContact O-N 3.05Å; D322-H325 VanDerWaalsContact O-N 3.14Å; H325-G328 PolarHBondContact O-N 3.46Å; H325-L329 PolarHBondContact O-N 3.4Å; H325-L329 VanDerWaalsContact O-N 3.16Å; H325-R350 PolarHBondContact CD2-NH2 3.32Å; H325-R350 PolarHBondContact CE1-NH1 3.1Å; H325-R350 VanDerWaalsContact CE1-NH1 3.32Å; H325-R350 VanDerWaalsContact CG-CZ 3.46Å; H325-R350 PolarHBondContact ND1-NH1 3.43Å; H325-R350 VanDerWaalsContact ND1-NH1 3.17Å
326M98.4Very high97.6Very high2 Ų236.8 Ų36.81%0.0118%0.175CC..Hα-helixtrans-67.7-41.5177.8-66.4-56.1131.100112.4Y302 D322 A323 G328 L329 I330 R350 Y354 L366Y302-M326 HydrophobicContact CD1-SD 4.01Å; Y302-M326 HydrophobicContact CG-SD 4.48Å; D322-M326 PolarHBondContact O-N 3.26Å; A323-M326 PolarHBondContact O-N 2.94Å; M326-G328 PolarHBondContact O-N 3.16Å; M326-L329 HydrophobicContact CE-CD1 4.32Å; M326-L329 PolarHBondContact O-N 3.29Å; M326-L329 VanDerWaalsContact O-N 3.08Å; M326-L329 HydrophobicContact SD-CD1 4.18Å; M326-I330 WeakPolarHBondContact O-CG1 3.26Å; M326-I330 PolarHBondContact O-N 3.42Å; M326-R350 HydrophobicContact CE-CG 3.87Å; M326-Y354 HydrophobicContact CE-CE2 3.74Å; M326-Y354 WeakPolarHBondContact CE-OH 3.37Å; M326-L366 HydrophobicContact CE-CD1 4.28Å; M326-L366 HydrophobicContact CE-CD2 4.49Å; M326-L366 HydrophobicContact SD-CD2 4.41Å
327E97.8Very high97.4Very high7 Ų733.2 Ų33.23%0.03315%0.154CC..Hα-helixtrans-53.7-45.8172.1-177.369.4-167.800109.9L276 K293 E307 C308 I317 A323 L329 I330 V331L276-E327 HydrophobicContact CD1-CG 4.04Å; K293-E327 IonicContact NZ-OE1 2.9Å; E307-E327 VanDerWaalsContact CA-OE2 3.25Å; E307-E327 WeakPolarHBondContact CA-OE2 3.49Å; C308-E327 PolarHBondContact N-OE1 2.95Å; C308-E327 PolarHBondContact N-OE2 3.02Å; I317-E327 HydrophobicContact CD1-CB 4.17Å; I317-E327 HydrophobicContact CD1-CG 4.31Å; A323-E327 VanDerWaalsContact O-CB 3.29Å; A323-E327 WeakPolarHBondContact O-CB 3.18Å; A323-E327 PolarHBondContact O-N 3.11Å; E327-L329 PolarHBondContact O-N 3.02Å; E327-I330 PolarHBondContact O-N 3.34Å; E327-V331 HydrophobicContact CG-CG2 4.3Å; E327-V331 VanDerWaalsContact O-CB 3.28Å; E327-V331 WeakPolarHBondContact O-CB 3.49Å; E327-V331 WeakPolarHBondContact O-CG2 3.48Å; E327-V331 PolarHBondContact O-N 3.45Å
328G98.1Very high97.1Very high0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-60.1-40.9175.800000113.8A258 L324 H325 M326 R332A258-G328 VanDerWaalsContact CB-O 3.25Å; A258-G328 WeakPolarHBondContact CB-O 3.4Å; L324-G328 PolarHBondContact O-N 2.97Å; H325-G328 PolarHBondContact O-N 3.46Å; M326-G328 PolarHBondContact O-N 3.16Å; G328-R332 VanDerWaalsContact O-CB 3.24Å; G328-R332 WeakPolarHBondContact O-CB 3.44Å; G328-R332 PolarHBondContact O-N 3.43Å
329L98.4Very high96.8Very high2 Ų234.8 Ų34.81%0.0117%0.174CC..Hα-helixtrans-67.9-42.5177.4-63.1-178.5000112N262 Y302 H325 M326 E327 R332 E333 P346 I347 R350 L366N262-L329 HydrophobicContact CB-CD2 4.18Å; Y302-L329 HydrophobicContact CD1-CB 4.12Å; Y302-L329 HydrophobicContact CD1-CD1 4.01Å; Y302-L329 HydrophobicContact CE1-CB 3.69Å; Y302-L329 HydrophobicContact CE1-CD1 3.69Å; Y302-L329 HydrophobicContact CE1-CG 4.33Å; Y302-L329 HydrophobicContact CE2-CB 4.37Å; H325-L329 PolarHBondContact O-N 3.4Å; H325-L329 VanDerWaalsContact O-N 3.16Å; M326-L329 HydrophobicContact CE-CD1 4.32Å; M326-L329 PolarHBondContact O-N 3.29Å; M326-L329 VanDerWaalsContact O-N 3.08Å; M326-L329 HydrophobicContact SD-CD1 4.18Å; E327-L329 PolarHBondContact O-N 3.02Å; L329-R332 PolarHBondContact O-N 2.89Å; L329-E333 PolarHBondContact O-N 3.38Å; L329-P346 HydrophobicContact CD2-CB 3.98Å; L329-I347 HydrophobicContact CD1-CG1 4.39Å; L329-I347 HydrophobicContact CD2-CG1 3.99Å; L329-R350 HydrophobicContact CD1-CB 4.19Å; L329-R350 HydrophobicContact CD1-CG 4.17Å; L329-L366 HydrophobicContact CD1-CD2 3.94Å
330I97.9Very high96.6Very high8 Ų828.4 Ų28.44%0.04115%0.145CC..Hα-helixtrans-63.3-49.2177.7-63160.2000110.6Y302 R305 E307 M326 E327 R332 E333 R334Y302-I330 HydrophobicContact CD2-CD1 4.41Å; Y302-I330 HydrophobicContact CD2-CG1 3.44Å; Y302-I330 VanDerWaalsContact CD2-CG1 3.44Å; Y302-I330 HydrophobicContact CE2-CG1 4.14Å; Y302-I330 HydrophobicContact CG-CG1 4.04Å; R305-I330 HydrophobicContact CB-CD1 3.98Å; E307-I330 HydrophobicContact CB-CG2 3.79Å; E307-I330 HydrophobicContact CG-CG2 4.34Å; M326-I330 WeakPolarHBondContact O-CG1 3.26Å; M326-I330 PolarHBondContact O-N 3.42Å; E327-I330 PolarHBondContact O-N 3.34Å; I330-R332 VanDerWaalsContact C-N 3.32Å; I330-R332 PolarHBondContact O-N 2.97Å; I330-E333 PolarHBondContact O-N 2.94Å; I330-R334 PolarHBondContact O-N 3.23Å
331V97.4Very high96.3Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-59-44.8179.21650000110.8E254 A258 L276 E327 R334 I335E254-V331 HydrophobicContact CB-CG1 3.71Å; A258-V331 HydrophobicContact CB-CB 4.23Å; A258-V331 HydrophobicContact CB-CG1 3.95Å; L276-V331 HydrophobicContact CD2-CG2 4.44Å; E327-V331 HydrophobicContact CG-CG2 4.3Å; E327-V331 VanDerWaalsContact O-CB 3.28Å; E327-V331 WeakPolarHBondContact O-CB 3.49Å; E327-V331 WeakPolarHBondContact O-CG2 3.48Å; E327-V331 PolarHBondContact O-N 3.45Å; V331-R334 PolarHBondContact O-N 3.46Å; V331-I335 HydrophobicContact CG1-CD1 3.64Å; V331-I335 VanDerWaalsContact O-CG1 3.31Å; V331-I335 WeakPolarHBondContact O-CG1 3.28Å; V331-I335 PolarHBondContact O-N 3.4Å
332R96.8Very high96.1Very high3 Ų324 Ų241%0.01113%0.132CC..Hα-helixtrans-61.6-47.4177.8179.4179.8-82.9132.9-31.2111.8E228 L255 A258 S259 G328 L329 I330 R334 I335 L336 P346E228-R332 IonicContact OE1-CZ 2.79Å; E228-R332 VanDerWaalsContact OE1-CZ 3.27Å; E228-R332 IonicContact OE1-NE 3.54Å; E228-R332 PolarHBondContact OE1-NE 3.16Å; E228-R332 IonicContact OE1-NH2 3.3Å; E228-R332 PolarHBondContact OE1-NH2 3.21Å; E228-R332 IonicContact OE2-CZ 2.76Å; E228-R332 IonicContact OE2-NE 3.65Å; E228-R332 PolarHBondContact OE2-NE 2.96Å; E228-R332 IonicContact OE2-NH2 3.69Å; L255-R332 HydrophobicContact CD1-CB 4.29Å; L255-R332 HydrophobicContact CD1-CG 4.08Å; A258-R332 HydrophobicContact CB-CB 4.38Å; A258-R332 PolarHBondContact O-NH1 2.89Å; S259-R332 VanDerWaalsContact CA-NH2 3.34Å; S259-R332 PolarHBondContact OG-NH2 2.91Å; G328-R332 VanDerWaalsContact O-CB 3.24Å; G328-R332 WeakPolarHBondContact O-CB 3.44Å; G328-R332 PolarHBondContact O-N 3.43Å; L329-R332 PolarHBondContact O-N 2.89Å; I330-R332 VanDerWaalsContact C-N 3.32Å; I330-R332 PolarHBondContact O-N 2.97Å; R332-R334 VanDerWaalsContact C-N 3.33Å; R332-R334 PolarHBondContact O-N 3.08Å; R332-I335 PolarHBondContact O-N 3.16Å; R332-L336 HydrophobicContact CG-CD1 3.82Å; R332-L336 HydrophobicContact CG-CG 4.44Å; R332-L336 WeakPolarHBondContact O-CB 3.48Å; R332-L336 PolarHBondContact O-N 2.95Å; R332-P346 VanDerWaalsContact NH2-CG 3.34Å
333E96.5Very high96.1Very high14 Ų1421.4 Ų21.47%0.06512%0.119CC..Hα-helixtrans-65.2-35.2179.9-171.1167.6164.900112.3L296 Y302 L329 I330 G337 A338 V343 H369L296-E333 HydrophobicContact CD1-CB 4.4Å; L296-E333 HydrophobicContact CD1-CG 4.29Å; Y302-E333 WeakPolarHBondContact CE2-OE2 3.22Å; Y302-E333 PolarHBondContact OH-OE2 3.13Å; L329-E333 PolarHBondContact O-N 3.38Å; I330-E333 PolarHBondContact O-N 2.94Å; E333-G337 CarbonylContact O-C 3.59Å; E333-G337 VanDerWaalsContact O-CA 3.27Å; E333-G337 WeakPolarHBondContact O-CA 3.44Å; E333-G337 PolarHBondContact O-N 3.2Å; E333-A338 HydrophobicContact CG-CB 4.35Å; E333-V343 HydrophobicContact CB-CG1 4.04Å; E333-V343 HydrophobicContact CG-CG1 4.05Å; E333-H369 IonicContact OE1-CE1 3.83Å; E333-H369 IonicContact OE1-NE2 2.73Å; E333-H369 PolarHBondContact OE1-NE2 3.47Å; E333-H369 IonicContact OE2-CD2 3.92Å; E333-H369 IonicContact OE2-CE1 2.86Å; E333-H369 IonicContact OE2-NE2 3.99Å; E333-H369 PolarHBondContact OE2-NE2 2.69Å
334R96.4Very high96Very high36 Ų3621.4 Ų21.414%0.13612%0.119CC..Hα-helixtrans-65-49.7172.9178.1-176.755.877.65.1112.5E254 E294 L296 E307 I330 V331 R332E254-R334 VanDerWaalsContact CD-NH2 3.25Å; E254-R334 IonicContact OE1-NH2 3.79Å; E254-R334 IonicContact OE2-CZ 3.82Å; E254-R334 IonicContact OE2-NH1 3.69Å; E254-R334 PolarHBondContact OE2-NH1 3.08Å; E254-R334 IonicContact OE2-NH2 3.81Å; E254-R334 PolarHBondContact OE2-NH2 3.45Å; E294-R334 WeakPolarHBondContact O-CD 3.25Å; L296-R334 HydrophobicContact CD1-CB 3.88Å; L296-R334 HydrophobicContact CG-CB 4.1Å; L296-R334 HydrophobicContact CG-CG 4.47Å; E307-R334 WeakPolarHBondContact OE1-CD 3.22Å; E307-R334 IonicContact OE1-NE 2.86Å; E307-R334 PolarHBondContact OE1-NE 3.38Å; E307-R334 VanDerWaalsContact OE1-NE 3.11Å; E307-R334 IonicContact OE2-CZ 3.6Å; E307-R334 IonicContact OE2-NE 3.37Å; E307-R334 PolarHBondContact OE2-NE 3.01Å; E307-R334 IonicContact OE2-NH2 3.06Å; I330-R334 PolarHBondContact O-N 3.23Å; V331-R334 PolarHBondContact O-N 3.46Å; R332-R334 VanDerWaalsContact C-N 3.33Å; R332-R334 PolarHBondContact O-N 3.08Å
335I96.8Very high95.9Very high13 Ų1327 Ų277%0.06714%0.144CC..Hα-helixtrans-74.1-38-170.8-68.6171.8000112.4K224 E251 E254 L255 V331 R332K224-I335 PolarHBondContact NZ-O 3.13Å; E251-I335 HydrophobicContact CB-CD1 4.33Å; E251-I335 HydrophobicContact CB-CG2 4.06Å; E251-I335 HydrophobicContact CG-CG1 4.33Å; E251-I335 HydrophobicContact CG-CG2 4.35Å; E251-I335 WeakPolarHBondContact O-CD1 3.18Å; E254-I335 HydrophobicContact CB-CD1 3.48Å; E254-I335 VanDerWaalsContact CB-CD1 3.48Å; L255-I335 HydrophobicContact CB-CD1 4.22Å; L255-I335 HydrophobicContact CB-CG2 4.48Å; L255-I335 HydrophobicContact CD2-CG2 4.38Å; V331-I335 HydrophobicContact CG1-CD1 3.64Å; V331-I335 VanDerWaalsContact O-CG1 3.31Å; V331-I335 WeakPolarHBondContact O-CG1 3.28Å; V331-I335 PolarHBondContact O-N 3.4Å; R332-I335 PolarHBondContact O-N 3.16Å
336L96.1Very high95.9Very high21 Ų2126.3 Ų26.311%0.1114%0.142CC..Hα-helixtrans-90.3-27.4-177.6-62.4-176.1000112.6M220 L255 R332 N340 D342 V343M220-L336 HydrophobicContact CE-CD2 4.12Å; M220-L336 HydrophobicContact CG-CD2 4.28Å; M220-L336 HydrophobicContact SD-CD2 4.43Å; L255-L336 HydrophobicContact CD1-CD1 4.22Å; L255-L336 HydrophobicContact CD1-CD2 4.44Å; L255-L336 HydrophobicContact CD1-CG 4.14Å; L255-L336 HydrophobicContact CD2-CD2 3.81Å; L255-L336 HydrophobicContact CD2-CG 4.41Å; R332-L336 HydrophobicContact CG-CD1 3.82Å; R332-L336 HydrophobicContact CG-CG 4.44Å; R332-L336 WeakPolarHBondContact O-CB 3.48Å; R332-L336 PolarHBondContact O-N 2.95Å; L336-N340 HydrophobicContact CB-CB 3.84Å; L336-N340 WeakPolarHBondContact O-CB 3.47Å; L336-D342 HydrophobicContact CD1-CB 4.28Å; L336-V343 HydrophobicContact CB-CG2 3.76Å; L336-V343 HydrophobicContact CD1-CG2 4.11Å
337G94.3Very high95.9Very high21 Ų2126.3 Ų26.322%0.21614%0.141CC..  trans87.3142.1-171.700000112.2E333 D339 N340 V343E333-G337 CarbonylContact O-C 3.59Å; E333-G337 VanDerWaalsContact O-CA 3.27Å; E333-G337 WeakPolarHBondContact O-CA 3.44Å; E333-G337 PolarHBondContact O-N 3.2Å; G337-D339 PolarHBondContact O-N 2.99Å; G337-N340 VanDerWaalsContact O-CB 3.3Å; G337-N340 WeakPolarHBondContact O-CB 3.25Å; G337-N340 PolarHBondContact O-N 3.3Å; G337-V343 WeakPolarHBondContact O-CG2 3.29Å
338A92.2Very high96Very high30 Ų3026.7 Ų26.725%0.24814%0.144CC..THydrogen-bonded Turntrans-59.3-19.6-17700000114.4E333 L373E333-A338 HydrophobicContact CG-CB 4.35Å; A338-L373 HydrophobicContact CB-CD2 3.76Å
339D91Very high96Very high130 Ų13029 Ų2970%0.69515%0.153SC*.THydrogen-bonded Turntrans-91.5-3.9177.664.6-42.9000113.9G337 R379G337-D339 PolarHBondContact O-N 2.99Å; D339-R379 VanDerWaalsContact C-NH2 3.3Å; D339-R379 PolarHBondContact O-NH2 2.85Å
340N94.1Very high96Very high10 Ų1029.4 Ų29.45%0.05315%0.154CC..SBendtrans-73.5145.9175.4178.2-69.1000111.6H218 L336 G337 D342 V343 R379H218-N340 PolarHBondContact O-ND2 3.02Å; L336-N340 HydrophobicContact CB-CB 3.84Å; L336-N340 WeakPolarHBondContact O-CB 3.47Å; G337-N340 VanDerWaalsContact O-CB 3.3Å; G337-N340 WeakPolarHBondContact O-CB 3.25Å; G337-N340 PolarHBondContact O-N 3.3Å; N340-D342 WeakPolarHBondContact OD1-CB 3.38Å; N340-D342 PolarHBondContact OD1-N 2.92Å; N340-D342 PolarHBondContact OD1-OD2 2.8Å; N340-V343 HydrophobicContact CB-CG2 4.15Å; N340-R379 PolarHBondContact O-NH1 3.01Å; N340-R379 PolarHBondContact O-NH2 2.67Å
341I91.4Very high96Very high76 Ų7629 Ų2939%0.3915%0.152SC..SBendtrans-69.1-33.8-172.6-166.5167.3000113.4S344I341-S344 PolarHBondContact O-OG 3.35Å
342D93Very high96Very high55 Ų5530.6 Ų30.629%0.29417%0.165SC..THydrogen-bonded Turntrans-80.6-19.3-170.7-58.3-58.1000112.6M220 E228 L336 N340 S344 P346M220-D342 VanDerWaalsContact SD-OD2 3.39Å; E228-D342 HydrophobicContact CG-CB 4.23Å; L336-D342 HydrophobicContact CD1-CB 4.28Å; N340-D342 WeakPolarHBondContact OD1-CB 3.38Å; N340-D342 PolarHBondContact OD1-N 2.92Å; N340-D342 PolarHBondContact OD1-OD2 2.8Å; D342-S344 VanDerWaalsContact C-N 3.34Å; D342-S344 PolarHBondContact O-N 3.34Å; D342-P346 WeakPolarHBondContact O-CD 3.5Å
343V96.7Very high96.1Very high2 Ų232 Ų321%0.01217%0.173CC..THydrogen-bonded Turntrans-60.1-40.4179.7174.80000112.8E333 L336 G337 N340 H345 I347 L373E333-V343 HydrophobicContact CB-CG1 4.04Å; E333-V343 HydrophobicContact CG-CG1 4.05Å; L336-V343 HydrophobicContact CB-CG2 3.76Å; L336-V343 HydrophobicContact CD1-CG2 4.11Å; G337-V343 WeakPolarHBondContact O-CG2 3.29Å; N340-V343 HydrophobicContact CB-CG2 4.15Å; V343-H345 PolarHBondContact O-N 2.94Å; V343-I347 HydrophobicContact CG1-CD1 3.92Å; V343-I347 WeakPolarHBondContact O-CD1 3.38Å; V343-I347 WeakPolarHBondContact O-CG1 3.23Å; V343-L373 HydrophobicContact CG1-CD1 3.9Å
344S96.6Very high96.2Very high3 Ų331.9 Ų31.92%0.02117%0.173CC..Hα-helixtrans-71.2-31.3-171.263.10000114.2I341 D342 I347 I348 R374I341-S344 PolarHBondContact O-OG 3.35Å; D342-S344 VanDerWaalsContact C-N 3.34Å; D342-S344 PolarHBondContact O-N 3.34Å; S344-I347 PolarHBondContact O-N 2.49Å; S344-I348 WeakPolarHBondContact O-CD1 3.11Å; S344-I348 VanDerWaalsContact O-CG1 3.27Å; S344-I348 WeakPolarHBondContact O-CG1 3.47Å; S344-I348 PolarHBondContact O-N 2.98Å; S344-I348 VanDerWaalsContact O-N 3.08Å; S344-R374 PolarHBondContact OG-NH1 3.32Å
345H96.1Very high96.3Very high118 Ų11830.4 Ų30.455%0.54617%0.168SC..Hα-helixtrans-68.7-47.1-171.7172.3-95000113.3V343 I347 I348 Y349V343-H345 PolarHBondContact O-N 2.94Å; H345-I347 VanDerWaalsContact C-N 3.29Å; H345-I347 PolarHBondContact O-N 2.73Å; H345-I348 WeakPolarHBondContact O-CB 3.41Å; H345-I348 PolarHBondContact O-N 3.43Å; H345-I348 VanDerWaalsContact O-N 3.16Å; H345-Y349 PolarHBondContact O-N 2.75Å
346P98.5Very high96.2Very high2 Ų235.9 Ų35.91%0.01320%0.197CC..Hα-helixtrans-62-32.9175.2-26.437.4000113.9N262 L329 R332 D342 Y349 R350N262-P346 HydrophobicContact CB-CB 3.86Å; L329-P346 HydrophobicContact CD2-CB 3.98Å; R332-P346 VanDerWaalsContact NH2-CG 3.34Å; D342-P346 WeakPolarHBondContact O-CD 3.5Å; P346-Y349 PolarHBondContact O-N 3.03Å; P346-R350 WeakPolarHBondContact O-CB 3.42Å; P346-R350 PolarHBondContact O-N 3.32Å
347I98.6Very high96.3Very high1 Ų139.7 Ų39.71%0.00522%0.218CC..Hα-helixtrans-65.1-45.8173.9-57.8164.6000110Y302 L329 V343 S344 H345 R350 G351 L366 A370 L373Y302-I347 HydrophobicContact CE1-CG1 4.39Å; Y302-I347 WeakPolarHBondContact OH-CD1 3.43Å; Y302-I347 WeakPolarHBondContact OH-CG1 3.44Å; L329-I347 HydrophobicContact CD1-CG1 4.39Å; L329-I347 HydrophobicContact CD2-CG1 3.99Å; V343-I347 HydrophobicContact CG1-CD1 3.92Å; V343-I347 WeakPolarHBondContact O-CD1 3.38Å; V343-I347 WeakPolarHBondContact O-CG1 3.23Å; S344-I347 PolarHBondContact O-N 2.49Å; H345-I347 VanDerWaalsContact C-N 3.29Å; H345-I347 PolarHBondContact O-N 2.73Å; I347-R350 PolarHBondContact O-N 3.06Å; I347-G351 PolarHBondContact O-N 2.84Å; I347-L366 HydrophobicContact CG2-CB 3.94Å; I347-L366 HydrophobicContact CG2-CD2 4.06Å; I347-L366 WeakPolarHBondContact CG2-O 3.24Å; I347-A370 HydrophobicContact CB-CB 4.17Å; I347-A370 HydrophobicContact CG2-CB 3.9Å; I347-L373 HydrophobicContact CD1-CD1 3.79Å
348I98.6Very high96.4Very high16 Ų1643.7 Ų43.78%0.08223%0.232CC..Hα-helixtrans-62.1-45.7176.8-67.4162.4000110.6S344 H345 G351 A352 W367 A370 D384S344-I348 WeakPolarHBondContact O-CD1 3.11Å; S344-I348 VanDerWaalsContact O-CG1 3.27Å; S344-I348 WeakPolarHBondContact O-CG1 3.47Å; S344-I348 PolarHBondContact O-N 2.98Å; S344-I348 VanDerWaalsContact O-N 3.08Å; H345-I348 WeakPolarHBondContact O-CB 3.41Å; H345-I348 PolarHBondContact O-N 3.43Å; H345-I348 VanDerWaalsContact O-N 3.16Å; I348-G351 PolarHBondContact O-N 3.23Å; I348-A352 PolarHBondContact O-N 3.48Å; I348-W367 PolarHBondContact O-NE1 2.74Å; I348-A370 HydrophobicContact CD1-CB 4.24Å; I348-A370 HydrophobicContact CG1-CB 3.67Å; I348-D384 WeakPolarHBondContact CD1-OD1 3.43Å
349Y98.1Very high96.6Very high49 Ų4946.7 Ų46.719%0.19224%0.241CC..Hα-helixtrans-58.5-48.7176.6169.1-107.5000111.4N262 R264 H345 P346 G351 A352 V353N262-Y349 VanDerWaalsContact O-CD1 3.27Å; N262-Y349 WeakPolarHBondContact O-CD1 3.31Å; R264-Y349 HydrophobicContact CB-CD2 4.09Å; R264-Y349 HydrophobicContact CB-CE2 3.67Å; R264-Y349 HydrophobicContact CG-CE2 3.97Å; H345-Y349 PolarHBondContact O-N 2.75Å; P346-Y349 PolarHBondContact O-N 3.03Å; Y349-G351 VanDerWaalsContact C-N 3.3Å; Y349-G351 PolarHBondContact O-N 3.33Å; Y349-A352 WeakPolarHBondContact O-CB 3.44Å; Y349-A352 PolarHBondContact O-N 3.38Å; Y349-A352 VanDerWaalsContact O-N 3.08Å; Y349-V353 HydrophobicContact CD2-CG2 4.45Å; Y349-V353 HydrophobicContact CE1-CG2 4.07Å; Y349-V353 HydrophobicContact CE2-CG2 3.93Å; Y349-V353 WeakPolarHBondContact O-CG2 3.41Å; Y349-V353 PolarHBondContact O-N 3.28Å
350R98.5Very high97Very high10 Ų1041 Ų414%0.03821%0.21CC..Hα-helixtrans-60.2-41.4177.5-17652.752.1-171.4-4.5111.7A261 N262 H325 M326 L329 P346 I347 A352 V353 Y354 L366A261-R350 PolarHBondContact O-NH2 2.7Å; N262-R350 VanDerWaalsContact OD1-CZ 3.23Å; N262-R350 PolarHBondContact OD1-NE 3.18Å; N262-R350 PolarHBondContact OD1-NH2 3.28Å; H325-R350 PolarHBondContact CD2-NH2 3.32Å; H325-R350 PolarHBondContact CE1-NH1 3.1Å; H325-R350 VanDerWaalsContact CE1-NH1 3.32Å; H325-R350 VanDerWaalsContact CG-CZ 3.46Å; H325-R350 PolarHBondContact ND1-NH1 3.43Å; H325-R350 VanDerWaalsContact ND1-NH1 3.17Å; M326-R350 HydrophobicContact CE-CG 3.87Å; L329-R350 HydrophobicContact CD1-CB 4.19Å; L329-R350 HydrophobicContact CD1-CG 4.17Å; P346-R350 WeakPolarHBondContact O-CB 3.42Å; P346-R350 PolarHBondContact O-N 3.32Å; I347-R350 PolarHBondContact O-N 3.06Å; R350-A352 VanDerWaalsContact C-N 3.33Å; R350-A352 PolarHBondContact O-N 3.03Å; R350-V353 WeakPolarHBondContact O-CB 3.34Å; R350-V353 PolarHBondContact O-N 3.36Å; R350-Y354 HydrophobicContact CG-CD2 4.15Å; R350-Y354 HydrophobicContact CG-CE2 3.7Å; R350-Y354 WeakPolarHBondContact O-CD2 3.01Å; R350-Y354 PolarHBondContact O-N 3.14Å; R350-Y354 VanDerWaalsContact O-N 3.13Å; R350-L366 HydrophobicContact CB-CD1 4.16Å; R350-L366 HydrophobicContact CG-CD1 3.74Å
351G98.6Very high97.1Very high0 Ų045.1 Ų45.10%023%0.229CC..Hα-helixtrans-60.1-41.1173.700000112.8I347 I348 Y349 V353 Y354 A355 C363I347-G351 PolarHBondContact O-N 2.84Å; I348-G351 PolarHBondContact O-N 3.23Å; Y349-G351 VanDerWaalsContact C-N 3.3Å; Y349-G351 PolarHBondContact O-N 3.33Å; G351-V353 VanDerWaalsContact C-N 3.35Å; G351-V353 PolarHBondContact O-N 3.39Å; G351-Y354 PolarHBondContact O-N 3.38Å; G351-A355 PolarHBondContact O-N 3.18Å; G351-C363 VanDerWaalsContact O-CB 3.27Å; G351-C363 WeakPolarHBondContact O-CB 3.31Å; G351-C363 PolarHBondContact O-SG 2.69Å
352A98.2Very high97.4Very high32 Ų3243.1 Ų43.126%0.26422%0.218SC..Hα-helixtrans-62.5-40.5175.200000112.1I348 Y349 R350 Y354 A355 D356 W367I348-A352 PolarHBondContact O-N 3.48Å; Y349-A352 WeakPolarHBondContact O-CB 3.44Å; Y349-A352 PolarHBondContact O-N 3.38Å; Y349-A352 VanDerWaalsContact O-N 3.08Å; R350-A352 VanDerWaalsContact C-N 3.33Å; R350-A352 PolarHBondContact O-N 3.03Å; A352-Y354 VanDerWaalsContact C-N 3.31Å; A352-Y354 PolarHBondContact O-N 2.62Å; A352-A355 WeakPolarHBondContact O-CB 3.49Å; A352-A355 PolarHBondContact O-N 3.27Å; A352-A355 VanDerWaalsContact O-N 3.13Å; A352-D356 PolarHBondContact O-N 3.08Å; A352-W367 HydrophobicContact CB-CZ2 4.15Å
353V98.3Very high97.7Very high32 Ų3240.5 Ų40.519%0.19420%0.204CC..Hα-helixtrans-60.2-40174.81750000111.6Y349 R350 G351 D356 N357Y349-V353 HydrophobicContact CD2-CG2 4.45Å; Y349-V353 HydrophobicContact CE1-CG2 4.07Å; Y349-V353 HydrophobicContact CE2-CG2 3.93Å; Y349-V353 WeakPolarHBondContact O-CG2 3.41Å; Y349-V353 PolarHBondContact O-N 3.28Å; R350-V353 WeakPolarHBondContact O-CB 3.34Å; R350-V353 PolarHBondContact O-N 3.36Å; G351-V353 VanDerWaalsContact C-N 3.35Å; G351-V353 PolarHBondContact O-N 3.39Å; V353-D356 PolarHBondContact O-N 3.21Å; V353-N357 PolarHBondContact O-N 3.23Å; V353-N357 PolarHBondContact O-ND2 3.29Å
354Y98.5Very high97.8Very high13 Ų1340.6 Ų40.65%0.05121%0.205CC..Hα-helixtrans-66-40.8173.7-76.9-69000112.4D322 M326 R350 G351 A352 D356 N357 M358 E359 Q362 L366D322-Y354 PolarHBondContact OD1-OH 2.89Å; M326-Y354 HydrophobicContact CE-CE2 3.74Å; M326-Y354 WeakPolarHBondContact CE-OH 3.37Å; R350-Y354 HydrophobicContact CG-CD2 4.15Å; R350-Y354 HydrophobicContact CG-CE2 3.7Å; R350-Y354 WeakPolarHBondContact O-CD2 3.01Å; R350-Y354 PolarHBondContact O-N 3.14Å; R350-Y354 VanDerWaalsContact O-N 3.13Å; G351-Y354 PolarHBondContact O-N 3.38Å; A352-Y354 VanDerWaalsContact C-N 3.31Å; A352-Y354 PolarHBondContact O-N 2.62Å; Y354-D356 VanDerWaalsContact C-N 3.33Å; Y354-D356 PolarHBondContact O-N 3.04Å; Y354-N357 CarbonylContact O-C 3.46Å; Y354-N357 PolarHBondContact O-N 2.92Å; Y354-N357 VanDerWaalsContact O-N 3.13Å; Y354-M358 PolarHBondContact O-N 3.13Å; Y354-E359 HydrophobicContact CD1-CB 3.69Å; Y354-E359 HydrophobicContact CD1-CG 4.27Å; Y354-E359 HydrophobicContact CG-CB 4.3Å; Y354-E359 WeakPolarHBondContact O-CA 3.46Å; Y354-E359 WeakPolarHBondContact O-CB 3.31Å; Y354-E359 PolarHBondContact O-N 2.86Å; Y354-Q362 HydrophobicContact CD1-CB 4.03Å; Y354-Q362 HydrophobicContact CD1-CG 3.94Å; Y354-Q362 HydrophobicContact CD2-CB 4.29Å; Y354-Q362 HydrophobicContact CD2-CG 3.7Å; Y354-Q362 HydrophobicContact CE1-CB 4.28Å; Y354-Q362 HydrophobicContact CE1-CG 3.78Å; Y354-Q362 HydrophobicContact CE2-CG 3.53Å; Y354-Q362 HydrophobicContact CG-CB 4.04Å; Y354-Q362 HydrophobicContact CG-CG 3.91Å; Y354-L366 HydrophobicContact CD2-CD1 3.57Å; Y354-L366 HydrophobicContact CE2-CD1 3.59Å
355A97.5Very high97.9Very high5 Ų542.8 Ų42.84%0.04121%0.214CC..Hα-helixtrans-60.4-42.9176.300000111.9G351 A352 N357 M358 C363 V391G351-A355 PolarHBondContact O-N 3.18Å; A352-A355 WeakPolarHBondContact O-CB 3.49Å; A352-A355 PolarHBondContact O-N 3.27Å; A352-A355 VanDerWaalsContact O-N 3.13Å; A355-N357 PolarHBondContact O-N 3.46Å; A355-M358 PolarHBondContact O-N 3.42Å; A355-C363 HydrophobicContact CB-CB 4.21Å; A355-V391 HydrophobicContact CB-CG2 4.26Å
356D95.8Very high98Very high127 Ų12737.1 Ų37.168%0.67919%0.188SC*.Hα-helixtrans-61.3-30.9176.1-70.7-18.7000112.1A352 V353 Y354 M358A352-D356 PolarHBondContact O-N 3.08Å; V353-D356 PolarHBondContact O-N 3.21Å; Y354-D356 VanDerWaalsContact C-N 3.33Å; Y354-D356 PolarHBondContact O-N 3.04Å; D356-M358 VanDerWaalsContact C-N 3.31Å
357N97.1Very high98Very high101 Ų10138.1 Ų38.154%0.5419%0.191SC..THydrogen-bonded Turntrans-87.68.9175-67.4-22.9000113.9V353 Y354 A355 E359V353-N357 PolarHBondContact O-N 3.23Å; V353-N357 PolarHBondContact O-ND2 3.29Å; Y354-N357 CarbonylContact O-C 3.46Å; Y354-N357 PolarHBondContact O-N 2.92Å; Y354-N357 VanDerWaalsContact O-N 3.13Å; A355-N357 PolarHBondContact O-N 3.46Å; N357-E359 HydrophobicContact CB-CG 4.27Å; N357-E359 PolarHBondContact O-N 3.45Å
358M96.6Very high98Very high105 Ų10539 Ų3952%0.51720%0.196SC..THydrogen-bonded Turntrans61.918.9-175-53.9178.963.200114.6Y354 A355 D356 F360 L398Y354-M358 PolarHBondContact O-N 3.13Å; A355-M358 PolarHBondContact O-N 3.42Å; D356-M358 VanDerWaalsContact C-N 3.31Å; M358-F360 VanDerWaalsContact C-N 3.26Å; M358-F360 HydrophobicContact CB-CE2 3.9Å; M358-F360 HydrophobicContact CB-CZ 4.29Å; M358-F360 HydrophobicContact CG-CE2 4.4Å; M358-F360 HydrophobicContact CG-CZ 4.43Å; M358-F360 WeakPolarHBondContact O-CD2 3.25Å; M358-F360 PolarHBondContact O-N 2.75Å; M358-F360 VanDerWaalsContact O-N 3.15Å; M358-L398 HydrophobicContact CE-CD1 4.45Å
359E97.6Very high98Very high94 Ų9439.8 Ų39.844%0.43920%0.199SC..  trans-89.757.5176.4-64.7-177.3-97.200110.8Y354 N357 E361 Q362 C363Y354-E359 HydrophobicContact CD1-CB 3.69Å; Y354-E359 HydrophobicContact CD1-CG 4.27Å; Y354-E359 HydrophobicContact CG-CB 4.3Å; Y354-E359 WeakPolarHBondContact O-CA 3.46Å; Y354-E359 WeakPolarHBondContact O-CB 3.31Å; Y354-E359 PolarHBondContact O-N 2.86Å; N357-E359 HydrophobicContact CB-CG 4.27Å; N357-E359 PolarHBondContact O-N 3.45Å; E359-E361 VanDerWaalsContact C-N 3.31Å; E359-E361 PolarHBondContact O-N 3.45Å; E359-Q362 PolarHBondContact O-N 2.95Å; E359-C363 PolarHBondContact O-N 2.79Å
360F98.1Very high98Very high10 Ų1037.4 Ų37.44%0.04419%0.19CC..Hα-helixtrans-59.5-36.2-169.5-60.6-68.6000114.3M358 Q362 C363 I364 V391 M395 L398 E400M358-F360 VanDerWaalsContact C-N 3.26Å; M358-F360 HydrophobicContact CB-CE2 3.9Å; M358-F360 HydrophobicContact CB-CZ 4.29Å; M358-F360 HydrophobicContact CG-CE2 4.4Å; M358-F360 HydrophobicContact CG-CZ 4.43Å; M358-F360 WeakPolarHBondContact O-CD2 3.25Å; M358-F360 PolarHBondContact O-N 2.75Å; M358-F360 VanDerWaalsContact O-N 3.15Å; F360-Q362 VanDerWaalsContact C-N 3.32Å; F360-Q362 PolarHBondContact O-N 3.03Å; F360-C363 WeakPolarHBondContact O-CB 3.24Å; F360-C363 PolarHBondContact O-N 3.37Å; F360-I364 WeakPolarHBondContact O-CD1 3.49Å; F360-I364 VanDerWaalsContact O-CG1 3.23Å; F360-I364 WeakPolarHBondContact O-CG1 3.27Å; F360-I364 PolarHBondContact O-N 3.44Å; F360-V391 HydrophobicContact CD1-CG2 3.64Å; F360-V391 HydrophobicContact CE1-CG2 3.98Å; F360-M395 HydrophobicContact CB-CE 3.85Å; F360-M395 HydrophobicContact CB-CG 4.18Å; F360-M395 HydrophobicContact CB-SD 3.71Å; F360-M395 HydrophobicContact CD1-CG 3.62Å; F360-M395 HydrophobicContact CD1-SD 4.05Å; F360-M395 HydrophobicContact CD2-CE 4.42Å; F360-M395 HydrophobicContact CD2-CG 3.84Å; F360-M395 HydrophobicContact CD2-SD 4.45Å; F360-M395 HydrophobicContact CE1-CG 3.89Å; F360-M395 HydrophobicContact CE2-CG 4.11Å; F360-M395 HydrophobicContact CG-CE 4.18Å; F360-M395 HydrophobicContact CG-CG 3.58Å; F360-M395 HydrophobicContact CG-SD 3.81Å; F360-M395 HydrophobicContact CZ-CG 4.13Å; F360-L398 HydrophobicContact CZ-CD1 4.02Å; F360-E400 HydrophobicContact CD2-CG 4.36Å; F360-E400 HydrophobicContact CE2-CB 4.41Å; F360-E400 HydrophobicContact CE2-CG 3.94Å
361E97.5Very high98Very high97 Ų9737 Ų3745%0.45319%0.188SC..Hα-helixtrans-60.4-42.9179.6179.5172.4153.700111.9E359 K365 K403E359-E361 VanDerWaalsContact C-N 3.31Å; E359-E361 PolarHBondContact O-N 3.45Å; E361-K365 WeakPolarHBondContact O-CG 3.2Å; E361-K365 PolarHBondContact O-N 3.02Å; E361-K365 WeakPolarHBondContact OE1-CE 3.44Å; E361-K365 IonicContact OE1-NZ 3.73Å; E361-K365 PolarHBondContact OE1-NZ 3.48Å; E361-K403 IonicContact OE1-NZ 3.27Å; E361-K403 IonicContact OE2-NZ 3.54Å; E361-K403 PolarHBondContact OE2-NZ 2.88Å
362Q97.9Very high98Very high34 Ų3440.6 Ų40.616%0.15921%0.205CC..Hα-helixtrans-74-36.3-180-1735526.200111.3A301 Y354 E359 F360 K365 L366A301-Q362 PolarHBondContact O-NE2 2.93Å; Y354-Q362 HydrophobicContact CD1-CB 4.03Å; Y354-Q362 HydrophobicContact CD1-CG 3.94Å; Y354-Q362 HydrophobicContact CD2-CB 4.29Å; Y354-Q362 HydrophobicContact CD2-CG 3.7Å; Y354-Q362 HydrophobicContact CE1-CB 4.28Å; Y354-Q362 HydrophobicContact CE1-CG 3.78Å; Y354-Q362 HydrophobicContact CE2-CG 3.53Å; Y354-Q362 HydrophobicContact CG-CB 4.04Å; Y354-Q362 HydrophobicContact CG-CG 3.91Å; E359-Q362 PolarHBondContact O-N 2.95Å; F360-Q362 VanDerWaalsContact C-N 3.32Å; F360-Q362 PolarHBondContact O-N 3.03Å; Q362-K365 PolarHBondContact O-N 3.49Å; Q362-L366 HydrophobicContact CG-CD1 4.43Å; Q362-L366 WeakPolarHBondContact O-CG 3.34Å; Q362-L366 PolarHBondContact O-N 3.38Å; Q362-L366 VanDerWaalsContact O-N 3.13Å
363C98.6Very high97.9Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-54.2-53.4169.5171.60000111.8G351 A355 E359 F360 K365 L366 W367G351-C363 VanDerWaalsContact O-CB 3.27Å; G351-C363 WeakPolarHBondContact O-CB 3.31Å; G351-C363 PolarHBondContact O-SG 2.69Å; A355-C363 HydrophobicContact CB-CB 4.21Å; E359-C363 PolarHBondContact O-N 2.79Å; F360-C363 WeakPolarHBondContact O-CB 3.24Å; F360-C363 PolarHBondContact O-N 3.37Å; C363-K365 VanDerWaalsContact C-N 3.33Å; C363-K365 PolarHBondContact O-N 3.25Å; C363-L366 PolarHBondContact O-N 3.46Å; C363-W367 PolarHBondContact O-N 3.3Å; C363-W367 VanDerWaalsContact SG-CD2 3.56Å; C363-W367 VanDerWaalsContact SG-CE2 3.55Å
364I98.7Very high97.8Very high4 Ų440.7 Ų40.72%0.02120%0.196CC..Hα-helixtrans-58.7-44.2-178-69.5160.7000110.8F360 L366 W367 L368 F388 F392 M395 D406F360-I364 WeakPolarHBondContact O-CD1 3.49Å; F360-I364 VanDerWaalsContact O-CG1 3.23Å; F360-I364 WeakPolarHBondContact O-CG1 3.27Å; F360-I364 PolarHBondContact O-N 3.44Å; I364-L366 PolarHBondContact O-N 2.9Å; I364-W367 PolarHBondContact O-N 2.71Å; I364-L368 HydrophobicContact CG2-CD1 3.88Å; I364-L368 HydrophobicContact CG2-CG 4.35Å; I364-L368 WeakPolarHBondContact O-CB 3.27Å; I364-L368 WeakPolarHBondContact O-CG 3.38Å; I364-L368 PolarHBondContact O-N 2.83Å; I364-F388 HydrophobicContact CG2-CE1 4.26Å; I364-F392 HydrophobicContact CD1-CD1 4.5Å; I364-F392 HydrophobicContact CD1-CE1 3.79Å; I364-F392 HydrophobicContact CG1-CE1 4.03Å; I364-M395 HydrophobicContact CD1-SD 4.24Å; I364-D406 HydrophobicContact CG2-CB 4.2Å
365K98.6Very high97.6Very high48 Ų4840.9 Ų40.921%0.20920%0.197CC..Hα-helixtrans-59-47.1177.4-73.5173.6-170.6167.70112.2A301 E361 Q362 C363 H369A301-K365 HydrophobicContact CB-CB 4.33Å; A301-K365 VanDerWaalsContact CB-O 3.31Å; A301-K365 WeakPolarHBondContact CB-O 3.27Å; E361-K365 WeakPolarHBondContact O-CG 3.2Å; E361-K365 PolarHBondContact O-N 3.02Å; E361-K365 WeakPolarHBondContact OE1-CE 3.44Å; E361-K365 IonicContact OE1-NZ 3.73Å; E361-K365 PolarHBondContact OE1-NZ 3.48Å; Q362-K365 PolarHBondContact O-N 3.49Å; C363-K365 VanDerWaalsContact C-N 3.33Å; C363-K365 PolarHBondContact O-N 3.25Å; K365-H369 PolarHBondContact O-N 3.03Å; K365-H369 VanDerWaalsContact O-N 3.12Å
366L98.8Very high97.4Very high0 Ų049 Ų490%023%0.232CC..Hα-helixtrans-66.6-46.3179.6-70.6170.4000111.9A301 Y302 M326 L329 I347 R350 Y354 Q362 C363 I364 L368 H369 A370A301-L366 HydrophobicContact CB-CD2 4.34Å; A301-L366 WeakPolarHBondContact O-CD2 3.23Å; Y302-L366 HydrophobicContact CD1-CD2 3.75Å; Y302-L366 HydrophobicContact CE1-CD2 3.81Å; M326-L366 HydrophobicContact CE-CD1 4.28Å; M326-L366 HydrophobicContact CE-CD2 4.49Å; M326-L366 HydrophobicContact SD-CD2 4.41Å; L329-L366 HydrophobicContact CD1-CD2 3.94Å; I347-L366 HydrophobicContact CG2-CB 3.94Å; I347-L366 HydrophobicContact CG2-CD2 4.06Å; I347-L366 WeakPolarHBondContact CG2-O 3.24Å; R350-L366 HydrophobicContact CB-CD1 4.16Å; R350-L366 HydrophobicContact CG-CD1 3.74Å; Y354-L366 HydrophobicContact CD2-CD1 3.57Å; Y354-L366 HydrophobicContact CE2-CD1 3.59Å; Q362-L366 HydrophobicContact CG-CD1 4.43Å; Q362-L366 WeakPolarHBondContact O-CG 3.34Å; Q362-L366 PolarHBondContact O-N 3.38Å; Q362-L366 VanDerWaalsContact O-N 3.13Å; C363-L366 PolarHBondContact O-N 3.46Å; I364-L366 PolarHBondContact O-N 2.9Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 2.76Å; L366-H369 PolarHBondContact O-N 3.23Å; L366-A370 PolarHBondContact O-N 3.32Å
367W98.7Very high97.1Very high23 Ų2344.8 Ų44.89%0.08722%0.218CC..Hα-helixtrans-65-35.2178.8-73.93000112.4I348 A352 C363 I364 A370 L371 R387 F388 V391I348-W367 PolarHBondContact O-NE1 2.74Å; A352-W367 HydrophobicContact CB-CZ2 4.15Å; C363-W367 PolarHBondContact O-N 3.3Å; C363-W367 VanDerWaalsContact SG-CD2 3.56Å; C363-W367 VanDerWaalsContact SG-CE2 3.55Å; I364-W367 PolarHBondContact O-N 2.71Å; W367-A370 PolarHBondContact O-N 3.17Å; W367-L371 VanDerWaalsContact O-CB 3.26Å; W367-L371 WeakPolarHBondContact O-CB 3.42Å; W367-L371 PolarHBondContact O-N 3.49Å; W367-R387 HydrophobicContact CE3-CB 4.03Å; W367-R387 HydrophobicContact CH2-CB 3.97Å; W367-R387 HydrophobicContact CZ3-CB 3.67Å; W367-R387 WeakPolarHBondContact CZ3-O 3.35Å; W367-F388 HydrophobicContact CB-CE1 3.93Å; W367-F388 HydrophobicContact CB-CE2 3.94Å; W367-F388 HydrophobicContact CB-CZ 3.39Å; W367-F388 HydrophobicContact CE3-CD1 4.42Å; W367-F388 HydrophobicContact CE3-CE1 4.42Å; W367-V391 HydrophobicContact CE3-CG1 4.21Å; W367-V391 HydrophobicContact CH2-CB 4.22Å; W367-V391 HydrophobicContact CZ3-CB 3.72Å; W367-V391 HydrophobicContact CZ3-CG1 3.63Å; W367-V391 HydrophobicContact CZ3-CG2 4.38Å
368L98.6Very high96.8Very high20 Ų2044.9 Ų44.911%0.10522%0.218CC..Hα-helixtrans-67.4-41.4176.2-81.1174.8000110.7I364 L366 L371 H372 F388 V410I364-L368 HydrophobicContact CG2-CD1 3.88Å; I364-L368 HydrophobicContact CG2-CG 4.35Å; I364-L368 WeakPolarHBondContact O-CB 3.27Å; I364-L368 WeakPolarHBondContact O-CG 3.38Å; I364-L368 PolarHBondContact O-N 2.83Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 2.76Å; L368-L371 HydrophobicContact CD2-CD2 4.46Å; L368-L371 PolarHBondContact O-N 3.16Å; L368-H372 PolarHBondContact O-N 2.96Å; L368-H372 PolarHBondContact O-ND1 2.84Å; L368-F388 HydrophobicContact CB-CZ 4.36Å; L368-F388 HydrophobicContact CD2-CE1 4.23Å; L368-F388 HydrophobicContact CD2-CE2 4.36Å; L368-F388 HydrophobicContact CD2-CZ 3.75Å; L368-F388 HydrophobicContact CG-CE1 4.02Å; L368-F388 HydrophobicContact CG-CZ 3.7Å; L368-V410 HydrophobicContact CD2-CG2 3.99Å
369H98.1Very high96.4Very high31 Ų3141.6 Ų41.614%0.14420%0.2CC..Hα-helixtrans-60.5-48.9173.7-174.556.4000111.4A301 Y302 E333 K365 L366 L371 H372 L373A301-H369 HydrophobicContact CB-CB 3.57Å; Y302-H369 AromaticContact CZ-CD2 3.64Å; Y302-H369 AromaticContact CZ-NE2 3.78Å; Y302-H369 PolarHBondContact OH-CD2 3.46Å; Y302-H369 VanDerWaalsContact OH-CD2 3.23Å; Y302-H369 PolarHBondContact OH-NE2 2.92Å; E333-H369 IonicContact OE1-CE1 3.83Å; E333-H369 IonicContact OE1-NE2 2.73Å; E333-H369 PolarHBondContact OE1-NE2 3.47Å; E333-H369 IonicContact OE2-CD2 3.92Å; E333-H369 IonicContact OE2-CE1 2.86Å; E333-H369 IonicContact OE2-NE2 3.99Å; E333-H369 PolarHBondContact OE2-NE2 2.69Å; K365-H369 PolarHBondContact O-N 3.03Å; K365-H369 VanDerWaalsContact O-N 3.12Å; L366-H369 PolarHBondContact O-N 3.23Å; H369-L371 VanDerWaalsContact C-N 3.33Å; H369-L371 PolarHBondContact O-N 3.41Å; H369-H372 PolarHBondContact O-N 3.42Å; H369-L373 WeakPolarHBondContact O-CG 3.29Å; H369-L373 PolarHBondContact O-N 3.41Å
370A98.4Very high95.9Very high0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-59.8-41.2176.800000112.8I347 I348 L366 W367 L373 R374I347-A370 HydrophobicContact CB-CB 4.17Å; I347-A370 HydrophobicContact CG2-CB 3.9Å; I348-A370 HydrophobicContact CD1-CB 4.24Å; I348-A370 HydrophobicContact CG1-CB 3.67Å; L366-A370 PolarHBondContact O-N 3.32Å; W367-A370 PolarHBondContact O-N 3.17Å; A370-L373 PolarHBondContact O-N 3.25Å; A370-R374 VanDerWaalsContact O-CG 3.25Å; A370-R374 WeakPolarHBondContact O-CG 3.39Å; A370-R374 PolarHBondContact O-N 3.36Å; A370-R374 VanDerWaalsContact O-N 3.08Å
371L98.3Very high95.8Very high0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-60.2-48.5175.5176.361.8000111W367 L368 H369 L373 R374 Q375 T381 D384 L385 F388 C413W367-L371 VanDerWaalsContact O-CB 3.26Å; W367-L371 WeakPolarHBondContact O-CB 3.42Å; W367-L371 PolarHBondContact O-N 3.49Å; L368-L371 HydrophobicContact CD2-CD2 4.46Å; L368-L371 PolarHBondContact O-N 3.16Å; H369-L371 VanDerWaalsContact C-N 3.33Å; H369-L371 PolarHBondContact O-N 3.41Å; L371-L373 PolarHBondContact O-N 3.1Å; L371-R374 PolarHBondContact O-N 2.86Å; L371-Q375 HydrophobicContact CD1-CG 4.15Å; L371-Q375 HydrophobicContact CG-CG 4.5Å; L371-Q375 WeakPolarHBondContact O-CG 3.3Å; L371-Q375 PolarHBondContact O-N 3.44Å; L371-T381 HydrophobicContact CD1-CG2 3.75Å; L371-D384 HydrophobicContact CD1-CB 3.94Å; L371-L385 HydrophobicContact CD1-CD2 4.31Å; L371-L385 HydrophobicContact CD1-CG 4.43Å; L371-L385 HydrophobicContact CD2-CD2 3.91Å; L371-F388 HydrophobicContact CB-CE2 4.47Å; L371-F388 HydrophobicContact CD2-CE2 3.95Å; L371-C413 HydrophobicContact CD2-CB 3.63Å; L371-C413 HydrophobicContact CG-CB 4.42Å
372H97.4Very high95.7Very high76 Ų7635.7 Ų35.735%0.35217%0.174SC..Hα-helixtrans-62.5-41.9178.7-66.1142000112.7L368 H369 R374 Q375 K376L368-H372 PolarHBondContact O-N 2.96Å; L368-H372 PolarHBondContact O-ND1 2.84Å; H369-H372 PolarHBondContact O-N 3.42Å; H372-R374 VanDerWaalsContact C-N 3.29Å; H372-R374 PolarHBondContact O-N 3.18Å; H372-Q375 PolarHBondContact O-N 3.1Å; H372-K376 VanDerWaalsContact O-CB 3.3Å; H372-K376 WeakPolarHBondContact O-CB 3.31Å; H372-K376 PolarHBondContact O-N 3.44Å
373L96.4Very high95.7Very high13 Ų1340.1 Ų40.17%0.06819%0.193CC..Hα-helixtrans-57.7-44174.5-69.2-179.8000111.3A338 V343 I347 H369 A370 L371 G377A338-L373 HydrophobicContact CB-CD2 3.76Å; V343-L373 HydrophobicContact CG1-CD1 3.9Å; I347-L373 HydrophobicContact CD1-CD1 3.79Å; H369-L373 WeakPolarHBondContact O-CG 3.29Å; H369-L373 PolarHBondContact O-N 3.41Å; A370-L373 PolarHBondContact O-N 3.25Å; L371-L373 PolarHBondContact O-N 3.1Å; L373-G377 PolarHBondContact O-N 2.79Å; L373-G377 VanDerWaalsContact O-N 3.14Å
374R96.4Very high95.6Very high53 Ų5340.5 Ų40.520%0.220%0.195CC..Hα-helixtrans-69.9-42.4-180-68.2171.168.679.96.2112.5S344 A370 L371 H372 G377 N378 R379 N380 T381 D384S344-R374 PolarHBondContact OG-NH1 3.32Å; A370-R374 VanDerWaalsContact O-CG 3.25Å; A370-R374 WeakPolarHBondContact O-CG 3.39Å; A370-R374 PolarHBondContact O-N 3.36Å; A370-R374 VanDerWaalsContact O-N 3.08Å; L371-R374 PolarHBondContact O-N 2.86Å; H372-R374 VanDerWaalsContact C-N 3.29Å; H372-R374 PolarHBondContact O-N 3.18Å; R374-G377 CarbonylContact O-C 3.52Å; R374-G377 PolarHBondContact O-N 3.3Å; R374-N378 PolarHBondContact O-N 3.26Å; R374-R379 HydrophobicContact CB-CB 4.22Å; R374-R379 WeakPolarHBondContact O-CB 3.42Å; R374-R379 PolarHBondContact O-N 3.18Å; R374-N380 PolarHBondContact NH2-O 2.74Å; R374-T381 HydrophobicContact CB-CG2 3.73Å; R374-D384 IonicContact CZ-OD2 3.66Å; R374-D384 IonicContact NE-OD1 3.55Å; R374-D384 IonicContact NE-OD2 2.69Å; R374-D384 PolarHBondContact NE-OD2 3.43Å; R374-D384 IonicContact NH2-OD2 2.8Å
375Q95.2Very high95.6Very high18 Ų1840.3 Ų40.38%0.08419%0.194CC..Hα-helixtrans-63.9-41.2175.4-72.2-168.7-44.300111.9L371 H372 G377 N378 T381 C413L371-Q375 HydrophobicContact CD1-CG 4.15Å; L371-Q375 HydrophobicContact CG-CG 4.5Å; L371-Q375 WeakPolarHBondContact O-CG 3.3Å; L371-Q375 PolarHBondContact O-N 3.44Å; H372-Q375 PolarHBondContact O-N 3.1Å; Q375-G377 PolarHBondContact O-N 2.93Å; Q375-N378 PolarHBondContact O-N 3.11Å; Q375-T381 HydrophobicContact CG-CG2 3.86Å; Q375-C413 PolarHBondContact NE2-O 3.19Å
376K93.6Very high95.6Very high176 Ų17639.8 Ų39.877%0.76519%0.193SC*.Hα-helixtrans-59.6-36.7174.3-175.3-178.4177.1-173.50111.8H372 N378H372-K376 VanDerWaalsContact O-CB 3.3Å; H372-K376 WeakPolarHBondContact O-CB 3.31Å; H372-K376 PolarHBondContact O-N 3.44Å; K376-N378 PolarHBondContact O-N 2.76Å
377G89.5Confident95.6Very high38 Ų3843.2 Ų43.239%0.39221%0.206SC..THydrogen-bonded Turntrans-79.28.7173.700000115.2L373 R374 Q375 R379L373-G377 PolarHBondContact O-N 2.79Å; L373-G377 VanDerWaalsContact O-N 3.14Å; R374-G377 CarbonylContact O-C 3.52Å; R374-G377 PolarHBondContact O-N 3.3Å; Q375-G377 PolarHBondContact O-N 2.93Å; G377-R379 PolarHBondContact O-N 2.8Å; G377-R379 VanDerWaalsContact O-N 3.13Å
378N89Confident95.6Very high102 Ų10242.2 Ų42.255%0.54520%0.202SC..THydrogen-bonded Turntrans50.334.2-174.2-167.725.1000113.3R374 Q375 K376R374-N378 PolarHBondContact O-N 3.26Å; Q375-N378 PolarHBondContact O-N 3.11Å; K376-N378 PolarHBondContact O-N 2.76Å
379R88.5Confident95.6Very high36 Ų3641.2 Ų41.214%0.13620%0.197CC..  trans-85.6157178.8-55.5-177.5-168.8155.25.3109.6D339 N340 R374 G377 T381D339-R379 VanDerWaalsContact C-NH2 3.3Å; D339-R379 PolarHBondContact O-NH2 2.85Å; N340-R379 PolarHBondContact O-NH1 3.01Å; N340-R379 PolarHBondContact O-NH2 2.67Å; R374-R379 HydrophobicContact CB-CB 4.22Å; R374-R379 WeakPolarHBondContact O-CB 3.42Å; R374-R379 PolarHBondContact O-N 3.18Å; G377-R379 PolarHBondContact O-N 2.8Å; G377-R379 VanDerWaalsContact O-N 3.13Å; R379-T381 PolarHBondContact O-N 3.34Å
380N87.9Confident95.6Very high46 Ų4641.2 Ų41.225%0.24620%0.197CC..  trans-73128.5175.3-166.8-39.7000110.7R374 H382 E417 N439R374-N380 PolarHBondContact NH2-O 2.74Å; N380-H382 PolarHBondContact OD1-N 3.34Å; N380-H382 VanDerWaalsContact OD1-N 3.13Å; N380-H382 PolarHBondContact OD1-ND1 2.89Å; N380-E417 PolarHBondContact OD1-OE1 3.42Å; N380-N439 WeakPolarHBondContact ND2-CB 3.36Å; N380-N439 PolarHBondContact ND2-ND2 3.37Å; N380-N439 VanDerWaalsContact ND2-ND2 3.13Å
381T95.7Very high95.5Very high0 Ų041.3 Ų41.30%020%0.198CC..  trans-11812.9-173.661.70000114.7L371 R374 Q375 R379 K383 D384 L385 E417L371-T381 HydrophobicContact CD1-CG2 3.75Å; R374-T381 HydrophobicContact CB-CG2 3.73Å; Q375-T381 HydrophobicContact CG-CG2 3.86Å; R379-T381 PolarHBondContact O-N 3.34Å; T381-K383 VanDerWaalsContact C-N 3.29Å; T381-K383 PolarHBondContact O-N 3.45Å; T381-D384 WeakPolarHBondContact CA-OD2 3.08Å; T381-D384 WeakPolarHBondContact O-CB 3.48Å; T381-D384 PolarHBondContact O-N 3.41Å; T381-L385 WeakPolarHBondContact O-CG 3.3Å; T381-L385 PolarHBondContact O-N 3.42Å; T381-E417 PolarHBondContact N-OE1 3.29Å; T381-E417 VanDerWaalsContact N-OE1 3.09Å; T381-E417 VanDerWaalsContact OG1-CD 3.24Å; T381-E417 VanDerWaalsContact OG1-CG 3.3Å; T381-E417 WeakPolarHBondContact OG1-CG 3.46Å
382H96.4Very high95.6Very high31 Ų3141.3 Ų41.314%0.14420%0.198CC..Hα-helixtrans-55.8-41.1-179.672.3-79000113.4N380 D384 L386 N439 C442 N443N380-H382 PolarHBondContact OD1-N 3.34Å; N380-H382 VanDerWaalsContact OD1-N 3.13Å; N380-H382 PolarHBondContact OD1-ND1 2.89Å; H382-D384 VanDerWaalsContact C-N 3.33Å; H382-D384 PolarHBondContact O-N 3.39Å; H382-L386 WeakPolarHBondContact O-CB 3.47Å; H382-L386 PolarHBondContact O-N 2.91Å; H382-N439 PolarHBondContact CE1-OD1 3.41Å; H382-N439 PolarHBondContact ND1-OD1 3.13Å; H382-N439 PolarHBondContact NE2-OD1 2.99Å; H382-C442 HydrophobicContact CB-CB 4.49Å; H382-N443 WeakPolarHBondContact CA-OD1 3.25Å; H382-N443 WeakPolarHBondContact CB-OD1 3.4Å
383K96.1Very high95.6Very high128 Ų12837.7 Ų37.756%0.55718%0.181SC*.Hα-helixtrans-67.4-35.3176.5-60.6-170.2177.1177.50112.3T381 R387T381-K383 VanDerWaalsContact C-N 3.29Å; T381-K383 PolarHBondContact O-N 3.45Å; K383-R387 WeakPolarHBondContact O-CG 3.5Å; K383-R387 PolarHBondContact O-N 3.23Å; K383-R387 VanDerWaalsContact O-N 3.08Å
384D98.2Very high95.6Very high7 Ų739 Ų394%0.03719%0.187CC..Hα-helixtrans-69.1-44.3-180-52.3-65.5000110.3I348 L371 R374 T381 H382 R387 F388I348-D384 WeakPolarHBondContact CD1-OD1 3.43Å; L371-D384 HydrophobicContact CD1-CB 3.94Å; R374-D384 IonicContact CZ-OD2 3.66Å; R374-D384 IonicContact NE-OD1 3.55Å; R374-D384 IonicContact NE-OD2 2.69Å; R374-D384 PolarHBondContact NE-OD2 3.43Å; R374-D384 IonicContact NH2-OD2 2.8Å; T381-D384 WeakPolarHBondContact CA-OD2 3.08Å; T381-D384 WeakPolarHBondContact O-CB 3.48Å; T381-D384 PolarHBondContact O-N 3.41Å; H382-D384 VanDerWaalsContact C-N 3.33Å; H382-D384 PolarHBondContact O-N 3.39Å; D384-R387 PolarHBondContact O-N 2.89Å; D384-R387 IonicContact OD1-NH1 3.54Å; D384-R387 PolarHBondContact OD1-NH1 3.4Å; D384-F388 VanDerWaalsContact O-CD2 3.25Å; D384-F388 WeakPolarHBondContact O-CD2 3.34Å; D384-F388 PolarHBondContact O-N 3.25Å
385L98.7Very high95.6Very high0 Ų036.9 Ų36.90%018%0.179CC..Hα-helixtrans-63.7-41174.1-65.9169.7000112L371 T381 R387 F388 A389 V410 C413 E417 T446L371-L385 HydrophobicContact CD1-CD2 4.31Å; L371-L385 HydrophobicContact CD1-CG 4.43Å; L371-L385 HydrophobicContact CD2-CD2 3.91Å; T381-L385 WeakPolarHBondContact O-CG 3.3Å; T381-L385 PolarHBondContact O-N 3.42Å; L385-R387 VanDerWaalsContact C-N 3.32Å; L385-R387 PolarHBondContact O-N 3.13Å; L385-F388 WeakPolarHBondContact O-CB 3.37Å; L385-F388 PolarHBondContact O-N 3.31Å; L385-F388 VanDerWaalsContact O-N 3.16Å; L385-A389 PolarHBondContact O-N 2.91Å; L385-V410 HydrophobicContact CD2-CG1 4.1Å; L385-C413 HydrophobicContact CD2-CB 4.21Å; L385-E417 HydrophobicContact CD1-CB 3.89Å; L385-E417 HydrophobicContact CD1-CG 3.89Å; L385-T446 VanDerWaalsContact C-CG2 3.48Å; L385-T446 HydrophobicContact CB-CG2 3.84Å; L385-T446 WeakPolarHBondContact O-CG2 3.33Å
386L98.4Very high95.7Very high38 Ų3837.9 Ų37.920%0.19919%0.185CC..Hα-helixtrans-61.6-41.4177.3178.661.1000111.4H382 F388 A389 Q390 T446 Y449 D499H382-L386 WeakPolarHBondContact O-CB 3.47Å; H382-L386 PolarHBondContact O-N 2.91Å; L386-F388 PolarHBondContact O-N 3.48Å; L386-A389 WeakPolarHBondContact O-CB 3.18Å; L386-A389 PolarHBondContact O-N 2.85Å; L386-Q390 HydrophobicContact CD1-CG 4.37Å; L386-Q390 HydrophobicContact CG-CG 4.33Å; L386-Q390 WeakPolarHBondContact O-CG 3.31Å; L386-Q390 PolarHBondContact O-N 2.93Å; L386-T446 HydrophobicContact CB-CG2 4.45Å; L386-Y449 HydrophobicContact CD1-CD2 4.16Å; L386-Y449 HydrophobicContact CD1-CE2 4.03Å; L386-D499 HydrophobicContact CD1-CB 4Å
387R98.1Very high95.6Very high72 Ų7234.7 Ų34.727%0.27217%0.172SC..Hα-helixtrans-56.7-37.2175.7-74.1-179.2-162.3108.6-6.9112.4W367 K383 D384 L385 Q390 V391W367-R387 HydrophobicContact CE3-CB 4.03Å; W367-R387 HydrophobicContact CH2-CB 3.97Å; W367-R387 HydrophobicContact CZ3-CB 3.67Å; W367-R387 WeakPolarHBondContact CZ3-O 3.35Å; K383-R387 WeakPolarHBondContact O-CG 3.5Å; K383-R387 PolarHBondContact O-N 3.23Å; K383-R387 VanDerWaalsContact O-N 3.08Å; D384-R387 PolarHBondContact O-N 2.89Å; D384-R387 IonicContact OD1-NH1 3.54Å; D384-R387 PolarHBondContact OD1-NH1 3.4Å; L385-R387 VanDerWaalsContact C-N 3.32Å; L385-R387 PolarHBondContact O-N 3.13Å; R387-Q390 WeakPolarHBondContact O-CB 3.4Å; R387-Q390 PolarHBondContact O-N 2.68Å; R387-V391 PolarHBondContact O-N 3.25Å
388F98.7Very high95.8Very high1 Ų136.3 Ų36.30%0.00417%0.172CC..Hα-helixtrans-64.2-44.7174.1-78.1-75.1000112.8I364 W367 L368 L371 D384 L385 L386 Q390 V391 F392 V410I364-F388 HydrophobicContact CG2-CE1 4.26Å; W367-F388 HydrophobicContact CB-CE1 3.93Å; W367-F388 HydrophobicContact CB-CE2 3.94Å; W367-F388 HydrophobicContact CB-CZ 3.39Å; W367-F388 HydrophobicContact CE3-CD1 4.42Å; W367-F388 HydrophobicContact CE3-CE1 4.42Å; L368-F388 HydrophobicContact CB-CZ 4.36Å; L368-F388 HydrophobicContact CD2-CE1 4.23Å; L368-F388 HydrophobicContact CD2-CE2 4.36Å; L368-F388 HydrophobicContact CD2-CZ 3.75Å; L368-F388 HydrophobicContact CG-CE1 4.02Å; L368-F388 HydrophobicContact CG-CZ 3.7Å; L371-F388 HydrophobicContact CB-CE2 4.47Å; L371-F388 HydrophobicContact CD2-CE2 3.95Å; D384-F388 VanDerWaalsContact O-CD2 3.25Å; D384-F388 WeakPolarHBondContact O-CD2 3.34Å; D384-F388 PolarHBondContact O-N 3.25Å; L385-F388 WeakPolarHBondContact O-CB 3.37Å; L385-F388 PolarHBondContact O-N 3.31Å; L385-F388 VanDerWaalsContact O-N 3.16Å; L386-F388 PolarHBondContact O-N 3.48Å; F388-Q390 VanDerWaalsContact C-N 3.25Å; F388-Q390 PolarHBondContact O-N 3.5Å; F388-V391 WeakPolarHBondContact O-CG1 3.32Å; F388-V391 PolarHBondContact O-N 3.41Å; F388-F392 HydrophobicContact CB-CD2 4.48Å; F388-F392 HydrophobicContact CB-CE2 4.13Å; F388-F392 HydrophobicContact CD1-CE1 4.37Å; F388-F392 HydrophobicContact CD1-CE2 4.32Å; F388-F392 AromaticContact CD1-CZ 3.89Å; F388-F392 HydrophobicContact CD1-CZ 3.89Å; F388-F392 WeakPolarHBondContact O-CB 3.49Å; F388-F392 VanDerWaalsContact O-CD2 3.24Å; F388-F392 WeakPolarHBondContact O-CD2 3.37Å; F388-F392 WeakPolarHBondContact O-CG 3.23Å; F388-F392 PolarHBondContact O-N 2.87Å; F388-V410 HydrophobicContact CB-CG1 3.66Å; F388-V410 HydrophobicContact CB-CG2 4.09Å; F388-V410 HydrophobicContact CD1-CG2 3.55Å; F388-V410 HydrophobicContact CD2-CG1 4.03Å; F388-V410 HydrophobicContact CD2-CG2 4.05Å; F388-V410 HydrophobicContact CE1-CG2 3.87Å; F388-V410 HydrophobicContact CE2-CG2 4.35Å; F388-V410 HydrophobicContact CG-CB 4.45Å; F388-V410 HydrophobicContact CG-CG1 3.86Å; F388-V410 HydrophobicContact CG-CG2 3.62Å; F388-V410 HydrophobicContact CZ-CG2 4.24Å
389A98.5Very high96.1Very high0 Ų038.6 Ų38.60%018%0.184CC..Hα-helixtrans-59.7-39.8174.700000111.4L385 L386 S393 T446 Y449 L450 I453L385-A389 PolarHBondContact O-N 2.91Å; L386-A389 WeakPolarHBondContact O-CB 3.18Å; L386-A389 PolarHBondContact O-N 2.85Å; A389-S393 VanDerWaalsContact O-CB 3.27Å; A389-S393 WeakPolarHBondContact O-CB 3.17Å; A389-S393 PolarHBondContact O-N 3.11Å; A389-S393 PolarHBondContact O-OG 3.49Å; A389-T446 HydrophobicContact CB-CG2 4.35Å; A389-Y449 HydrophobicContact CB-CD2 4.29Å; A389-L450 HydrophobicContact CB-CD2 4.19Å; A389-L450 HydrophobicContact CB-CG 4.41Å; A389-I453 HydrophobicContact CB-CD1 4.17Å; A389-I453 WeakPolarHBondContact O-CD1 3.26Å
390Q98Very high96.4Very high31 Ų3141 Ų4115%0.14520%0.197CC..Hα-helixtrans-64.6-50.6177.5-67.4172.3-2800112L386 R387 F388 S393 Q394 D499 F501L386-Q390 HydrophobicContact CD1-CG 4.37Å; L386-Q390 HydrophobicContact CG-CG 4.33Å; L386-Q390 WeakPolarHBondContact O-CG 3.31Å; L386-Q390 PolarHBondContact O-N 2.93Å; R387-Q390 WeakPolarHBondContact O-CB 3.4Å; R387-Q390 PolarHBondContact O-N 2.68Å; F388-Q390 VanDerWaalsContact C-N 3.25Å; F388-Q390 PolarHBondContact O-N 3.5Å; Q390-S393 PolarHBondContact O-N 3.39Å; Q390-Q394 WeakPolarHBondContact O-CB 3.2Å; Q390-Q394 PolarHBondContact O-N 3.06Å; Q390-D499 PolarHBondContact NE2-OD2 3.39Å; Q390-F501 HydrophobicContact CB-CD1 4.48Å; Q390-F501 HydrophobicContact CG-CD1 4.36Å; Q390-F501 WeakPolarHBondContact CG-O 3.37Å
391V97.6Very high96.8Very high2 Ų244.1 Ų44.11%0.01222%0.218CC..Hα-helixtrans-68.9-38-178.576.20000112A355 F360 W367 R387 F388 S393 Q394 M395A355-V391 HydrophobicContact CB-CG2 4.26Å; F360-V391 HydrophobicContact CD1-CG2 3.64Å; F360-V391 HydrophobicContact CE1-CG2 3.98Å; W367-V391 HydrophobicContact CE3-CG1 4.21Å; W367-V391 HydrophobicContact CH2-CB 4.22Å; W367-V391 HydrophobicContact CZ3-CB 3.72Å; W367-V391 HydrophobicContact CZ3-CG1 3.63Å; W367-V391 HydrophobicContact CZ3-CG2 4.38Å; R387-V391 PolarHBondContact O-N 3.25Å; F388-V391 WeakPolarHBondContact O-CG1 3.32Å; F388-V391 PolarHBondContact O-N 3.41Å; V391-S393 VanDerWaalsContact C-N 3.32Å; V391-S393 PolarHBondContact O-N 3.18Å; V391-Q394 WeakPolarHBondContact O-CB 3.2Å; V391-Q394 PolarHBondContact O-N 3.12Å; V391-M395 VanDerWaalsContact O-CG 3.24Å; V391-M395 WeakPolarHBondContact O-CG 3.49Å; V391-M395 PolarHBondContact O-N 3.24Å
392F98.5Very high96.8Very high0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-65.9-36.9174.3-64.5-25.3000111.8I364 F388 M395 I396 V402 D406 I407 V410 L450 I453I364-F392 HydrophobicContact CD1-CD1 4.5Å; I364-F392 HydrophobicContact CD1-CE1 3.79Å; I364-F392 HydrophobicContact CG1-CE1 4.03Å; F388-F392 HydrophobicContact CB-CD2 4.48Å; F388-F392 HydrophobicContact CB-CE2 4.13Å; F388-F392 HydrophobicContact CD1-CE1 4.37Å; F388-F392 HydrophobicContact CD1-CE2 4.32Å; F388-F392 AromaticContact CD1-CZ 3.89Å; F388-F392 HydrophobicContact CD1-CZ 3.89Å; F388-F392 WeakPolarHBondContact O-CB 3.49Å; F388-F392 VanDerWaalsContact O-CD2 3.24Å; F388-F392 WeakPolarHBondContact O-CD2 3.37Å; F388-F392 WeakPolarHBondContact O-CG 3.23Å; F388-F392 PolarHBondContact O-N 2.87Å; F392-M395 HydrophobicContact CD1-SD 4.15Å; F392-M395 PolarHBondContact O-N 3.29Å; F392-I396 WeakPolarHBondContact O-CG1 3.26Å; F392-I396 PolarHBondContact O-N 3.1Å; F392-V402 HydrophobicContact CB-CG1 4.21Å; F392-V402 HydrophobicContact CB-CG2 4.35Å; F392-V402 HydrophobicContact CD1-CG1 3.72Å; F392-V402 HydrophobicContact CE1-CG1 4.18Å; F392-V402 HydrophobicContact CG-CG1 3.91Å; F392-D406 HydrophobicContact CE1-CB 4.38Å; F392-D406 HydrophobicContact CZ-CB 4.12Å; F392-I407 HydrophobicContact CD2-CG1 4.32Å; F392-I407 HydrophobicContact CE2-CG1 4.17Å; F392-V410 HydrophobicContact CE2-CB 4.3Å; F392-V410 HydrophobicContact CE2-CG2 3.96Å; F392-V410 HydrophobicContact CZ-CG2 3.95Å; F392-L450 HydrophobicContact CD2-CD2 3.88Å; F392-L450 HydrophobicContact CE2-CD2 4.07Å; F392-I453 HydrophobicContact CB-CD1 4.1Å; F392-I453 HydrophobicContact CB-CG2 3.81Å; F392-I453 HydrophobicContact CD2-CG2 4.42Å; F392-I453 HydrophobicContact CG-CG2 4.49Å
393S97.7Very high96.9Very high0 Ų047.3 Ų47.30%023%0.232CC..Hα-helixtrans-65.6-42.8174.1-59.80000111.5A389 Q390 V391 M395 I396 H397 I453 H502 V506A389-S393 VanDerWaalsContact O-CB 3.27Å; A389-S393 WeakPolarHBondContact O-CB 3.17Å; A389-S393 PolarHBondContact O-N 3.11Å; A389-S393 PolarHBondContact O-OG 3.49Å; Q390-S393 PolarHBondContact O-N 3.39Å; V391-S393 VanDerWaalsContact C-N 3.32Å; V391-S393 PolarHBondContact O-N 3.18Å; S393-M395 PolarHBondContact O-N 3.01Å; S393-I396 PolarHBondContact O-N 3.41Å; S393-H397 WeakPolarHBondContact O-CB 3.44Å; S393-H397 PolarHBondContact O-N 3.11Å; S393-I453 WeakPolarHBondContact OG-CD1 3.37Å; S393-H502 WeakPolarHBondContact CB-O 3.44Å; S393-V506 WeakPolarHBondContact O-CG2 3.42Å
394Q96.1Very high97Very high39 Ų3941.4 Ų41.418%0.18221%0.207CC..Hα-helixtrans-59-45.6174-174-172.612.200111.5Q390 V391 I396 H397 L398 H502Q390-Q394 WeakPolarHBondContact O-CB 3.2Å; Q390-Q394 PolarHBondContact O-N 3.06Å; V391-Q394 WeakPolarHBondContact O-CB 3.2Å; V391-Q394 PolarHBondContact O-N 3.12Å; Q394-I396 PolarHBondContact O-N 3.29Å; Q394-H397 WeakPolarHBondContact O-CB 3.43Å; Q394-H397 PolarHBondContact O-N 2.79Å; Q394-L398 HydrophobicContact CG-CD1 3.99Å; Q394-L398 WeakPolarHBondContact O-CB 3.42Å; Q394-L398 VanDerWaalsContact O-CG 3.31Å; Q394-L398 WeakPolarHBondContact O-CG 3.41Å; Q394-L398 PolarHBondContact O-N 2.76Å; Q394-H502 HydrophobicContact CB-CB 4.26Å
395M97.6Very high97Very high9 Ų944.5 Ų44.54%0.04423%0.227CC..Hα-helixtrans-58.5-48.2176.9-71.8171.372.500111.4F360 I364 V391 F392 S393 H397 L398 N399 E400 T401 V402F360-M395 HydrophobicContact CB-CE 3.85Å; F360-M395 HydrophobicContact CB-CG 4.18Å; F360-M395 HydrophobicContact CB-SD 3.71Å; F360-M395 HydrophobicContact CD1-CG 3.62Å; F360-M395 HydrophobicContact CD1-SD 4.05Å; F360-M395 HydrophobicContact CD2-CE 4.42Å; F360-M395 HydrophobicContact CD2-CG 3.84Å; F360-M395 HydrophobicContact CD2-SD 4.45Å; F360-M395 HydrophobicContact CE1-CG 3.89Å; F360-M395 HydrophobicContact CE2-CG 4.11Å; F360-M395 HydrophobicContact CG-CE 4.18Å; F360-M395 HydrophobicContact CG-CG 3.58Å; F360-M395 HydrophobicContact CG-SD 3.81Å; F360-M395 HydrophobicContact CZ-CG 4.13Å; I364-M395 HydrophobicContact CD1-SD 4.24Å; V391-M395 VanDerWaalsContact O-CG 3.24Å; V391-M395 WeakPolarHBondContact O-CG 3.49Å; V391-M395 PolarHBondContact O-N 3.24Å; F392-M395 HydrophobicContact CD1-SD 4.15Å; F392-M395 PolarHBondContact O-N 3.29Å; S393-M395 PolarHBondContact O-N 3.01Å; M395-H397 VanDerWaalsContact C-N 3.33Å; M395-H397 PolarHBondContact O-N 3.17Å; M395-L398 CarbonylContact O-C 3.45Å; M395-L398 PolarHBondContact O-N 2.8Å; M395-L398 VanDerWaalsContact O-N 3.16Å; M395-N399 PolarHBondContact O-N 2.92Å; M395-N399 VanDerWaalsContact O-N 3.11Å; M395-E400 HydrophobicContact CB-CB 4.02Å; M395-E400 HydrophobicContact CG-CB 4.37Å; M395-E400 PolarHBondContact O-N 2.87Å; M395-T401 WeakPolarHBondContact CE-O 3.25Å; M395-V402 HydrophobicContact CB-CG2 3.73Å; M395-V402 HydrophobicContact CE-CG2 4.16Å; M395-V402 HydrophobicContact SD-CG2 4.25Å
396I96.3Very high97Very high40 Ų4046 Ų4621%0.20524%0.235CC..Hα-helixtrans-59.1-45.1176.3-71.4170.4000111F392 S393 Q394 L398 N399 V402 I453 K456 V506F392-I396 WeakPolarHBondContact O-CG1 3.26Å; F392-I396 PolarHBondContact O-N 3.1Å; S393-I396 PolarHBondContact O-N 3.41Å; Q394-I396 PolarHBondContact O-N 3.29Å; I396-L398 VanDerWaalsContact C-N 3.25Å; I396-L398 PolarHBondContact O-N 3.4Å; I396-N399 PolarHBondContact O-N 2.96Å; I396-V402 HydrophobicContact CD1-CG2 4.39Å; I396-V402 HydrophobicContact CG1-CG2 3.84Å; I396-I453 HydrophobicContact CD1-CB 4.49Å; I396-I453 HydrophobicContact CD1-CG2 3.9Å; I396-K456 HydrophobicContact CD1-CB 4.14Å; I396-V506 HydrophobicContact CB-CG2 4.17Å; I396-V506 HydrophobicContact CD1-CG1 3.98Å; I396-V506 HydrophobicContact CG2-CG1 4.25Å; I396-V506 HydrophobicContact CG2-CG2 4.01Å
397H92.9Very high97Very high108 Ų10844.2 Ų44.250%0.523%0.226SC..Hα-helixtrans-60.2-37178.5-176.686.3000112.3S393 Q394 M395 N399S393-H397 WeakPolarHBondContact O-CB 3.44Å; S393-H397 PolarHBondContact O-N 3.11Å; Q394-H397 WeakPolarHBondContact O-CB 3.43Å; Q394-H397 PolarHBondContact O-N 2.79Å; M395-H397 VanDerWaalsContact C-N 3.33Å; M395-H397 PolarHBondContact O-N 3.17Å; H397-N399 VanDerWaalsContact C-N 3.26Å; H397-N399 PolarHBondContact O-N 3.31Å
398L94Very high97Very high72 Ų7242.5 Ų42.538%0.37722%0.221SC..THydrogen-bonded Turntrans-82.32.5176.6-63.9175.3000113.6M358 F360 Q394 M395 I396 E400M358-L398 HydrophobicContact CE-CD1 4.45Å; F360-L398 HydrophobicContact CZ-CD1 4.02Å; Q394-L398 HydrophobicContact CG-CD1 3.99Å; Q394-L398 WeakPolarHBondContact O-CB 3.42Å; Q394-L398 VanDerWaalsContact O-CG 3.31Å; Q394-L398 WeakPolarHBondContact O-CG 3.41Å; Q394-L398 PolarHBondContact O-N 2.76Å; M395-L398 CarbonylContact O-C 3.45Å; M395-L398 PolarHBondContact O-N 2.8Å; M395-L398 VanDerWaalsContact O-N 3.16Å; I396-L398 VanDerWaalsContact C-N 3.25Å; I396-L398 PolarHBondContact O-N 3.4Å; L398-E400 HydrophobicContact CB-CG 4.2Å; L398-E400 PolarHBondContact O-N 3.47Å
399N93.7Very high97Very high150 Ų15043.3 Ų43.380%0.80223%0.227SC*.THydrogen-bonded Turntrans59.226.9-172.3-53.1-71.5000114.1M395 I396 H397M395-N399 PolarHBondContact O-N 2.92Å; M395-N399 VanDerWaalsContact O-N 3.11Å; I396-N399 PolarHBondContact O-N 2.96Å; H397-N399 VanDerWaalsContact C-N 3.26Å; H397-N399 PolarHBondContact O-N 3.31Å
400E95.3Very high97Very high87 Ų8743.3 Ų43.341%0.40723%0.227SC..PPolyproline II helixtrans-83.6147.6171.7-69.7-63.4158.700111F360 M395 L398 V402F360-E400 HydrophobicContact CD2-CG 4.36Å; F360-E400 HydrophobicContact CE2-CB 4.41Å; F360-E400 HydrophobicContact CE2-CG 3.94Å; M395-E400 HydrophobicContact CB-CB 4.02Å; M395-E400 HydrophobicContact CG-CB 4.37Å; M395-E400 PolarHBondContact O-N 2.87Å; L398-E400 HydrophobicContact CB-CG 4.2Å; L398-E400 PolarHBondContact O-N 3.47Å; E400-V402 PolarHBondContact O-N 2.96Å
401T95.6Very high97.1Very high111 Ų11141.8 Ų41.868%0.68122%0.22SC*.PPolyproline II helixtrans-77.5117.7-175.9-59.40000111M395M395-T401 WeakPolarHBondContact CE-O 3.25Å
402V97.2Very high97.1Very high8 Ų846.8 Ų46.85%0.04824%0.238CC..PPolyproline II helixtrans-85123.6167-172.20000108.9F392 M395 I396 E400 I407 T457F392-V402 HydrophobicContact CB-CG1 4.21Å; F392-V402 HydrophobicContact CB-CG2 4.35Å; F392-V402 HydrophobicContact CD1-CG1 3.72Å; F392-V402 HydrophobicContact CE1-CG1 4.18Å; F392-V402 HydrophobicContact CG-CG1 3.91Å; M395-V402 HydrophobicContact CB-CG2 3.73Å; M395-V402 HydrophobicContact CE-CG2 4.16Å; M395-V402 HydrophobicContact SD-CG2 4.25Å; I396-V402 HydrophobicContact CD1-CG2 4.39Å; I396-V402 HydrophobicContact CG1-CG2 3.84Å; E400-V402 PolarHBondContact O-N 2.96Å; V402-I407 HydrophobicContact CB-CD1 4.48Å; V402-I407 HydrophobicContact CG1-CD1 3.65Å; V402-I407 HydrophobicContact CG1-CG1 3.67Å; V402-T457 WeakPolarHBondContact O-CG2 3.17Å
403K97.7Very high97.1Very high90 Ų9046.9 Ų46.939%0.39124%0.239SC..PPolyproline II helixtrans-80.5128-178.5-56.7176.8-174.6171.60109.8E361 D406 I407E361-K403 IonicContact OE1-NZ 3.27Å; E361-K403 IonicContact OE2-NZ 3.54Å; E361-K403 PolarHBondContact OE2-NZ 2.88Å; K403-D406 HydrophobicContact CB-CB 4.5Å; K403-D406 WeakPolarHBondContact CB-OD2 3.49Å; K403-D406 WeakPolarHBondContact O-CB 3.4Å; K403-D406 PolarHBondContact O-N 3.27Å; K403-I407 PolarHBondContact O-N 2.78Å
404A98.3Very high97.2Very high5 Ų546.9 Ų46.94%0.04124%0.239CC..Hα-helixtrans-57.1-37.5178.600000114.9D406 I407 E408 T457 C459 D463 I467A404-D406 PolarHBondContact O-N 3.36Å; A404-I407 PolarHBondContact O-N 2.99Å; A404-E408 PolarHBondContact O-N 3.41Å; A404-T457 HydrophobicContact CB-CG2 4.35Å; A404-C459 HydrophobicContact CB-CB 3.4Å; A404-D463 HydrophobicContact CB-CB 3.91Å; A404-I467 HydrophobicContact CB-CD1 4.09Å
405P98.3Very high97.3Very high71 Ų7145.6 Ų45.646%0.46123%0.234SC..Hα-helixtrans-59.4-32.5172.6-27.536.4000114.1C409P405-C409 WeakPolarHBondContact O-CB 3.44Å; P405-C409 PolarHBondContact O-N 3.41Å
406D98.4Very high97.3Very high32 Ų3248.4 Ų48.417%0.17125%0.249CC..Hα-helixtrans-71-42.4177.8-64.2-29.6000110.4I364 F392 K403 A404 C409 V410I364-D406 HydrophobicContact CG2-CB 4.2Å; F392-D406 HydrophobicContact CE1-CB 4.38Å; F392-D406 HydrophobicContact CZ-CB 4.12Å; K403-D406 HydrophobicContact CB-CB 4.5Å; K403-D406 WeakPolarHBondContact CB-OD2 3.49Å; K403-D406 WeakPolarHBondContact O-CB 3.4Å; K403-D406 PolarHBondContact O-N 3.27Å; A404-D406 PolarHBondContact O-N 3.36Å; D406-C409 PolarHBondContact O-N 3.11Å; D406-V410 WeakPolarHBondContact O-CG2 3.46Å; D406-V410 PolarHBondContact O-N 3.12Å
407I98.5Very high97.4Very high0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-60.6-47.2174.2-61174.7000110.7F392 V402 K403 A404 C409 V410 L411 I453 T457 I467F392-I407 HydrophobicContact CD2-CG1 4.32Å; F392-I407 HydrophobicContact CE2-CG1 4.17Å; V402-I407 HydrophobicContact CB-CD1 4.48Å; V402-I407 HydrophobicContact CG1-CD1 3.65Å; V402-I407 HydrophobicContact CG1-CG1 3.67Å; K403-I407 PolarHBondContact O-N 2.78Å; A404-I407 PolarHBondContact O-N 2.99Å; I407-C409 VanDerWaalsContact C-N 3.3Å; I407-C409 PolarHBondContact O-N 3.03Å; I407-V410 PolarHBondContact O-N 3.31Å; I407-L411 HydrophobicContact CG2-CD1 3.83Å; I407-L411 HydrophobicContact CG2-CG 4.25Å; I407-L411 WeakPolarHBondContact O-CB 3.39Å; I407-L411 WeakPolarHBondContact O-CG 3.47Å; I407-L411 PolarHBondContact O-N 3.42Å; I407-I453 HydrophobicContact CD1-CG2 4.01Å; I407-T457 HydrophobicContact CD1-CG2 3.79Å; I407-T457 WeakPolarHBondContact CD1-OG1 3.23Å; I407-I467 HydrophobicContact CB-CD1 4.47Å; I407-I467 HydrophobicContact CG2-CD1 4.33Å
408E98.7Very high97.6Very high36 Ų3641.4 Ų41.417%0.16822%0.215CC..Hα-helixtrans-56.8-45.6177.4-173.1-77.1154.800111.4A404 V410 L411 R412 K466 I467 Q470A404-E408 PolarHBondContact O-N 3.41Å; E408-V410 PolarHBondContact O-N 3.36Å; E408-L411 PolarHBondContact O-N 2.91Å; E408-R412 WeakPolarHBondContact O-CB 3.47Å; E408-R412 PolarHBondContact O-N 3Å; E408-K466 HydrophobicContact CG-CB 3.82Å; E408-I467 HydrophobicContact CB-CG1 3.99Å; E408-Q470 HydrophobicContact CG-CG 4.38Å; E408-Q470 PolarHBondContact OE1-NE2 3.02Å
409C98.6Very high97.8Very high18 Ų1842 Ų4212%0.12222%0.216CC..Hα-helixtrans-62.2-45.1-179.5-172.60000111.5P405 D406 I407 R412 C413P405-C409 WeakPolarHBondContact O-CB 3.44Å; P405-C409 PolarHBondContact O-N 3.41Å; D406-C409 PolarHBondContact O-N 3.11Å; I407-C409 VanDerWaalsContact C-N 3.3Å; I407-C409 PolarHBondContact O-N 3.03Å; C409-R412 PolarHBondContact O-N 3.34Å; C409-R412 PolarHBondContact SG-NH2 3.18Å; C409-C413 PolarHBondContact O-N 3.35Å; C409-C413 VanDerWaalsContact O-N 3.08Å; C409-C413 PolarHBondContact O-SG 2.92Å
410V98.8Very high97.8Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-68.5-41.1178.2179.80000111.2L368 L385 F388 F392 D406 I407 E408 R412 C413 S414 L450L368-V410 HydrophobicContact CD2-CG2 3.99Å; L385-V410 HydrophobicContact CD2-CG1 4.1Å; F388-V410 HydrophobicContact CB-CG1 3.66Å; F388-V410 HydrophobicContact CB-CG2 4.09Å; F388-V410 HydrophobicContact CD1-CG2 3.55Å; F388-V410 HydrophobicContact CD2-CG1 4.03Å; F388-V410 HydrophobicContact CD2-CG2 4.05Å; F388-V410 HydrophobicContact CE1-CG2 3.87Å; F388-V410 HydrophobicContact CE2-CG2 4.35Å; F388-V410 HydrophobicContact CG-CB 4.45Å; F388-V410 HydrophobicContact CG-CG1 3.86Å; F388-V410 HydrophobicContact CG-CG2 3.62Å; F388-V410 HydrophobicContact CZ-CG2 4.24Å; F392-V410 HydrophobicContact CE2-CB 4.3Å; F392-V410 HydrophobicContact CE2-CG2 3.96Å; F392-V410 HydrophobicContact CZ-CG2 3.95Å; D406-V410 WeakPolarHBondContact O-CG2 3.46Å; D406-V410 PolarHBondContact O-N 3.12Å; I407-V410 PolarHBondContact O-N 3.31Å; E408-V410 PolarHBondContact O-N 3.36Å; V410-R412 VanDerWaalsContact C-N 3.35Å; V410-R412 PolarHBondContact O-N 3.04Å; V410-C413 PolarHBondContact O-N 2.97Å; V410-S414 WeakPolarHBondContact O-CB 3.4Å; V410-S414 PolarHBondContact O-N 3.42Å; V410-L450 HydrophobicContact CG1-CD1 3.63Å; V410-L450 HydrophobicContact CG1-CD2 3.94Å; V410-L450 HydrophobicContact CG1-CG 4.46Å
411L98.9Very high97.7Very high0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-58.3-47174.4-80.1170.7000111I407 E408 C413 S414 V415 F447 L450 V451 I467 Q470I407-L411 HydrophobicContact CG2-CD1 3.83Å; I407-L411 HydrophobicContact CG2-CG 4.25Å; I407-L411 WeakPolarHBondContact O-CB 3.39Å; I407-L411 WeakPolarHBondContact O-CG 3.47Å; I407-L411 PolarHBondContact O-N 3.42Å; E408-L411 PolarHBondContact O-N 2.91Å; L411-C413 VanDerWaalsContact C-N 3.3Å; L411-C413 PolarHBondContact O-N 2.86Å; L411-S414 CarbonylContact O-C 3.26Å; L411-S414 WeakPolarHBondContact O-CA 3.39Å; L411-S414 WeakPolarHBondContact O-CB 3.25Å; L411-S414 PolarHBondContact O-N 3.11Å; L411-V415 WeakPolarHBondContact O-CG2 3.43Å; L411-V415 PolarHBondContact O-N 3.41Å; L411-F447 HydrophobicContact CD2-CD2 3.85Å; L411-F447 HydrophobicContact CD2-CE1 4.49Å; L411-F447 HydrophobicContact CD2-CE2 3.5Å; L411-F447 HydrophobicContact CD2-CG 4.48Å; L411-F447 HydrophobicContact CD2-CZ 3.86Å; L411-L450 HydrophobicContact CD2-CB 3.6Å; L411-L450 HydrophobicContact CD2-CD1 4.31Å; L411-L450 HydrophobicContact CG-CB 4.18Å; L411-V451 HydrophobicContact CD2-CG2 4.16Å; L411-I467 HydrophobicContact CD1-CG2 3.77Å; L411-Q470 HydrophobicContact CB-CB 4Å; L411-Q470 HydrophobicContact CB-CG 4.36Å
412R98.8Very high97.6Very high107 Ų10729.3 Ų29.340%0.40415%0.145SC..Hα-helixtrans-57.8-42.4176-179.1173.553.5725.6111.9E408 C409 V410 S414 L416 Q470E408-R412 WeakPolarHBondContact O-CB 3.47Å; E408-R412 PolarHBondContact O-N 3Å; C409-R412 PolarHBondContact O-N 3.34Å; C409-R412 PolarHBondContact SG-NH2 3.18Å; V410-R412 VanDerWaalsContact C-N 3.35Å; V410-R412 PolarHBondContact O-N 3.04Å; R412-S414 VanDerWaalsContact C-N 3.33Å; R412-L416 PolarHBondContact O-N 2.84Å; R412-Q470 HydrophobicContact CB-CG 4.15Å
413C98.7Very high97.3Very high1 Ų132.8 Ų32.81%0.00716%0.163CC..Hα-helixtrans-66.1-36.8174.9-61.90000112L371 Q375 L385 C409 V410 L411 L416 E417L371-C413 HydrophobicContact CD2-CB 3.63Å; L371-C413 HydrophobicContact CG-CB 4.42Å; Q375-C413 PolarHBondContact NE2-O 3.19Å; L385-C413 HydrophobicContact CD2-CB 4.21Å; C409-C413 PolarHBondContact O-N 3.35Å; C409-C413 VanDerWaalsContact O-N 3.08Å; C409-C413 PolarHBondContact O-SG 2.92Å; V410-C413 PolarHBondContact O-N 2.97Å; L411-C413 VanDerWaalsContact C-N 3.3Å; L411-C413 PolarHBondContact O-N 2.86Å; C413-L416 PolarHBondContact O-N 3.32Å; C413-E417 PolarHBondContact O-N 2.93Å
414S98.7Very high96.9Very high0 Ų031.3 Ų31.30%016%0.155CC..Hα-helixtrans-66.2-42.2176.6-174.40000112.3V410 L411 R412 L416 E417 I418 F447V410-S414 WeakPolarHBondContact O-CB 3.4Å; V410-S414 PolarHBondContact O-N 3.42Å; L411-S414 CarbonylContact O-C 3.26Å; L411-S414 WeakPolarHBondContact O-CA 3.39Å; L411-S414 WeakPolarHBondContact O-CB 3.25Å; L411-S414 PolarHBondContact O-N 3.11Å; R412-S414 VanDerWaalsContact C-N 3.33Å; S414-L416 VanDerWaalsContact C-N 3.33Å; S414-L416 PolarHBondContact O-N 3.42Å; S414-E417 PolarHBondContact O-N 3.05Å; S414-I418 WeakPolarHBondContact O-CD1 3.47Å; S414-I418 VanDerWaalsContact O-CG1 3.28Å; S414-I418 WeakPolarHBondContact O-CG1 3.38Å; S414-I418 PolarHBondContact O-N 3.42Å; S414-F447 WeakPolarHBondContact OG-CD2 3.25Å
415V98.8Very high96.5Very high13 Ų1332.8 Ų32.88%0.07916%0.164CC..Hα-helixtrans-56.3-48.9173.3179.30000110.9L411 E417 I418 E419 F447 Q470 N473 L474 L477L411-V415 WeakPolarHBondContact O-CG2 3.43Å; L411-V415 PolarHBondContact O-N 3.41Å; V415-E417 PolarHBondContact O-N 3.38Å; V415-I418 PolarHBondContact O-N 2.94Å; V415-E419 PolarHBondContact O-N 3.3Å; V415-F447 HydrophobicContact CG2-CE2 3.74Å; V415-F447 HydrophobicContact CG2-CZ 4.46Å; V415-Q470 HydrophobicContact CG2-CB 4.34Å; V415-Q470 WeakPolarHBondContact CG2-O 2.88Å; V415-N473 HydrophobicContact CG1-CB 4.36Å; V415-L474 HydrophobicContact CG1-CB 4.33Å; V415-L474 HydrophobicContact CG1-CD1 4.4Å; V415-L474 HydrophobicContact CG2-CB 3.92Å; V415-L477 HydrophobicContact CG1-CD1 4.13Å
416L97.5Very high96Very high68 Ų6836.8 Ų36.836%0.35617%0.174SC..Hα-helixtrans-59.6-45.5179178.664000112.1R412 C413 S414 I418 E419 Q420R412-L416 PolarHBondContact O-N 2.84Å; C413-L416 PolarHBondContact O-N 3.32Å; S414-L416 VanDerWaalsContact C-N 3.33Å; S414-L416 PolarHBondContact O-N 3.42Å; L416-I418 VanDerWaalsContact C-N 3.35Å; L416-I418 PolarHBondContact O-N 3.11Å; L416-E419 PolarHBondContact O-N 3.45Å; L416-Q420 HydrophobicContact CD1-CG 4.39Å; L416-Q420 WeakPolarHBondContact O-CB 3.49Å; L416-Q420 VanDerWaalsContact O-CG 3.28Å; L416-Q420 WeakPolarHBondContact O-CG 3.35Å; L416-Q420 PolarHBondContact O-N 3.47Å
417E97.7Very high95.4Very high0 Ų041.8 Ų41.80%020%0.201CC..Hα-helixtrans-66.7-35.4179.6171.864.1177.300112N380 T381 L385 C413 S414 V415 S421 R424 N443N380-E417 PolarHBondContact OD1-OE1 3.42Å; T381-E417 PolarHBondContact N-OE1 3.29Å; T381-E417 VanDerWaalsContact N-OE1 3.09Å; T381-E417 VanDerWaalsContact OG1-CD 3.24Å; T381-E417 VanDerWaalsContact OG1-CG 3.3Å; T381-E417 WeakPolarHBondContact OG1-CG 3.46Å; L385-E417 HydrophobicContact CD1-CB 3.89Å; L385-E417 HydrophobicContact CD1-CG 3.89Å; C413-E417 PolarHBondContact O-N 2.93Å; S414-E417 PolarHBondContact O-N 3.05Å; V415-E417 PolarHBondContact O-N 3.38Å; E417-S421 WeakPolarHBondContact O-CB 3.42Å; E417-S421 PolarHBondContact O-N 3.43Å; E417-S421 PolarHBondContact O-OG 3.45Å; E417-R424 IonicContact OE1-CZ 2.79Å; E417-R424 IonicContact OE1-NH2 2.74Å; E417-R424 PolarHBondContact OE1-NH2 3.37Å; E417-R424 IonicContact OE2-CZ 2.79Å; E417-R424 IonicContact OE2-NH1 3.51Å; E417-R424 IonicContact OE2-NH2 2.93Å; E417-R424 PolarHBondContact OE2-NH2 2.96Å; E417-N443 WeakPolarHBondContact CG-ND2 3.36Å; E417-N443 PolarHBondContact OE1-ND2 3.29Å
418I98.2Very high94.6Very high0 Ų044.6 Ų44.60%022%0.215CC..Hα-helixtrans-66.9-46.4175.5-66.8161.3000110.1S414 V415 L416 Q420 S421 M422 Y440 N443 L444 F447 L474 P479S414-I418 WeakPolarHBondContact O-CD1 3.47Å; S414-I418 VanDerWaalsContact O-CG1 3.28Å; S414-I418 WeakPolarHBondContact O-CG1 3.38Å; S414-I418 PolarHBondContact O-N 3.42Å; V415-I418 PolarHBondContact O-N 2.94Å; L416-I418 VanDerWaalsContact C-N 3.35Å; L416-I418 PolarHBondContact O-N 3.11Å; I418-Q420 PolarHBondContact O-N 2.91Å; I418-S421 CarbonylContact O-C 3.54Å; I418-S421 WeakPolarHBondContact O-CB 3.42Å; I418-S421 PolarHBondContact O-N 3.41Å; I418-S421 VanDerWaalsContact O-N 3.12Å; I418-M422 HydrophobicContact CG2-CG 4.44Å; I418-M422 HydrophobicContact CG2-SD 4.27Å; I418-M422 VanDerWaalsContact O-CG 3.32Å; I418-M422 WeakPolarHBondContact O-CG 3.44Å; I418-M422 PolarHBondContact O-N 2.96Å; I418-Y440 HydrophobicContact CG2-CD2 4.3Å; I418-Y440 HydrophobicContact CG2-CE2 3.8Å; I418-N443 HydrophobicContact CD1-CB 4.47Å; I418-N443 HydrophobicContact CG1-CB 3.7Å; I418-L444 HydrophobicContact CD1-CD2 3.94Å; I418-L444 HydrophobicContact CG1-CD2 4.18Å; I418-L444 HydrophobicContact CG2-CD2 3.7Å; I418-F447 HydrophobicContact CD1-CB 3.93Å; I418-F447 HydrophobicContact CD1-CD2 4.18Å; I418-F447 HydrophobicContact CD1-CG 4.23Å; I418-L474 HydrophobicContact CB-CD1 3.97Å; I418-L474 HydrophobicContact CD1-CD1 3.93Å; I418-L474 HydrophobicContact CD1-CD2 3.54Å; I418-L474 HydrophobicContact CD1-CG 4.42Å; I418-L474 HydrophobicContact CG2-CD1 3.75Å; I418-P479 HydrophobicContact CG2-CB 4.24Å
419E96.5Very high93.5Very high85 Ų8546.4 Ų46.440%0.39723%0.232SC..Hα-helixtrans-57.8-47.9175.8-173.5-179.5-161.300111.8V415 L416 S421 M422 N423 L477V415-E419 PolarHBondContact O-N 3.3Å; L416-E419 PolarHBondContact O-N 3.45Å; E419-S421 VanDerWaalsContact C-N 3.3Å; E419-S421 PolarHBondContact O-N 2.93Å; E419-M422 PolarHBondContact O-N 2.53Å; E419-N423 PolarHBondContact O-N 2.71Å; E419-N423 VanDerWaalsContact O-N 3.14Å; E419-N423 PolarHBondContact O-ND2 2.88Å; E419-L477 HydrophobicContact CB-CD1 3.85Å; E419-L477 HydrophobicContact CG-CD1 4.16Å
420Q94.1Very high92.4Very high46 Ų4652.9 Ų52.922%0.21527%0.265CS..Hα-helixtrans-60.9-40.6175.3-72.5177.7-3.200111.5L416 I418 N423 R424L416-Q420 HydrophobicContact CD1-CG 4.39Å; L416-Q420 WeakPolarHBondContact O-CB 3.49Å; L416-Q420 VanDerWaalsContact O-CG 3.28Å; L416-Q420 WeakPolarHBondContact O-CG 3.35Å; L416-Q420 PolarHBondContact O-N 3.47Å; I418-Q420 PolarHBondContact O-N 2.91Å; Q420-N423 PolarHBondContact O-N 2.91Å; Q420-R424 WeakPolarHBondContact O-CG 3.34Å; Q420-R424 PolarHBondContact O-N 3.08Å
421S93.5Very high91Very high3 Ų356.9 Ų56.92%0.02130%0.298CS..Hα-helixtrans-66.3-39.1177.9-61.30000112.7E417 I418 E419 N423 R424 V425E417-S421 WeakPolarHBondContact O-CB 3.42Å; E417-S421 PolarHBondContact O-N 3.43Å; E417-S421 PolarHBondContact O-OG 3.45Å; I418-S421 CarbonylContact O-C 3.54Å; I418-S421 WeakPolarHBondContact O-CB 3.42Å; I418-S421 PolarHBondContact O-N 3.41Å; I418-S421 VanDerWaalsContact O-N 3.12Å; E419-S421 VanDerWaalsContact C-N 3.3Å; E419-S421 PolarHBondContact O-N 2.93Å; S421-N423 VanDerWaalsContact C-N 3.3Å; S421-N423 PolarHBondContact O-N 3.39Å; S421-R424 PolarHBondContact O-N 3.03Å; S421-R424 VanDerWaalsContact O-N 3.17Å; S421-R424 PolarHBondContact OG-NH2 3.17Å; S421-V425 WeakPolarHBondContact O-CG2 3.46Å; S421-V425 PolarHBondContact O-N 3.04Å
422M93.5Very high90Very high33 Ų3360.7 Ų60.716%0.16332%0.319CS..Hα-helixtrans-59.7-42.4172.9-68.3172.374.300111.3I418 E419 K426 Y440 L477 P479I418-M422 HydrophobicContact CG2-CG 4.44Å; I418-M422 HydrophobicContact CG2-SD 4.27Å; I418-M422 VanDerWaalsContact O-CG 3.32Å; I418-M422 WeakPolarHBondContact O-CG 3.44Å; I418-M422 PolarHBondContact O-N 2.96Å; E419-M422 PolarHBondContact O-N 2.53Å; M422-K426 WeakPolarHBondContact O-CG 3.27Å; M422-K426 PolarHBondContact O-N 2.93Å; M422-Y440 HydrophobicContact CG-CD2 4.1Å; M422-Y440 HydrophobicContact CG-CE2 3.38Å; M422-Y440 HydrophobicContact SD-CE2 4.35Å; M422-L477 WeakPolarHBondContact CE-O 3.5Å; M422-L477 HydrophobicContact SD-CB 4.5Å; M422-P479 HydrophobicContact SD-CB 4.34Å
423N91.5Very high89.4Confident80 Ų8057.9 Ų57.943%0.42831%0.313SS..Hα-helixtrans-67.8-36175.9-69.6-35000112.3E419 Q420 S421 N427E419-N423 PolarHBondContact O-N 2.71Å; E419-N423 VanDerWaalsContact O-N 3.14Å; E419-N423 PolarHBondContact O-ND2 2.88Å; Q420-N423 PolarHBondContact O-N 2.91Å; S421-N423 VanDerWaalsContact C-N 3.3Å; S421-N423 PolarHBondContact O-N 3.39Å; N423-N427 PolarHBondContact O-N 2.98Å; N423-N427 PolarHBondContact O-ND2 2.94Å
424R89.5Confident88.7Confident59 Ų5963.5 Ų63.522%0.22334%0.339CS..Hα-helixtrans-64.3-49.3174.3-73.9-175.8-72-140.52.1111.3E417 Q420 S421 K426 N427 I428E417-R424 IonicContact OE1-CZ 2.79Å; E417-R424 IonicContact OE1-NH2 2.74Å; E417-R424 PolarHBondContact OE1-NH2 3.37Å; E417-R424 IonicContact OE2-CZ 2.79Å; E417-R424 IonicContact OE2-NH1 3.51Å; E417-R424 IonicContact OE2-NH2 2.93Å; E417-R424 PolarHBondContact OE2-NH2 2.96Å; Q420-R424 WeakPolarHBondContact O-CG 3.34Å; Q420-R424 PolarHBondContact O-N 3.08Å; S421-R424 PolarHBondContact O-N 3.03Å; S421-R424 VanDerWaalsContact O-N 3.17Å; S421-R424 PolarHBondContact OG-NH2 3.17Å; R424-K426 VanDerWaalsContact C-N 3.27Å; R424-K426 PolarHBondContact O-N 3.49Å; R424-N427 PolarHBondContact O-N 2.96Å; R424-N427 VanDerWaalsContact O-N 3.15Å; R424-I428 VanDerWaalsContact O-CB 3.31Å; R424-I428 WeakPolarHBondContact O-CB 3.47Å; R424-I428 PolarHBondContact O-N 2.83Å
425V88.5Confident88.2Confident37 Ų3767.9 Ų67.922%0.22436%0.363CS..Hα-helixtrans-60.2-36.4-179.91720000111.9S421 A436 M437S421-V425 WeakPolarHBondContact O-CG2 3.46Å; S421-V425 PolarHBondContact O-N 3.04Å; V425-A436 HydrophobicContact CG2-CB 4.05Å; V425-M437 HydrophobicContact CG1-SD 4.03Å; V425-M437 HydrophobicContact CG2-SD 4.28Å
426K87.5Confident87.7Confident155 Ų15568.1 Ų68.167%0.67437%0.366SS*.Hα-helixtrans-69.3-28.8177.6-73.3174-177.2176.10114.5M422 R424M422-K426 WeakPolarHBondContact O-CG 3.27Å; M422-K426 PolarHBondContact O-N 2.93Å; R424-K426 VanDerWaalsContact C-N 3.27Å; R424-K426 PolarHBondContact O-N 3.49Å
427N86Confident87.5Confident137 Ų13765.9 Ų65.973%0.73335%0.354SS*.Hα-helixtrans-110.3-7.1-170.1-67.1-50.4000114.2N423 R424N423-N427 PolarHBondContact O-N 2.98Å; N423-N427 PolarHBondContact O-ND2 2.94Å; R424-N427 PolarHBondContact O-N 2.96Å; R424-N427 VanDerWaalsContact O-N 3.15Å
428I82.2Confident87.3Confident58 Ų5868.3 Ų68.330%0.29737%0.366SS..SBendtrans-81.9148.3-175-157.7167.3000111.7R424 D432 V433 A436R424-I428 VanDerWaalsContact O-CB 3.31Å; R424-I428 WeakPolarHBondContact O-CB 3.47Å; R424-I428 PolarHBondContact O-N 2.83Å; I428-D432 HydrophobicContact CD1-CB 3.47Å; I428-D432 VanDerWaalsContact CD1-CB 3.47Å; I428-D432 HydrophobicContact CG1-CB 3.93Å; I428-V433 HydrophobicContact CG2-CB 4.28Å; I428-V433 HydrophobicContact CG2-CG2 3.58Å; I428-A436 HydrophobicContact CD1-CB 4.06Å; I428-A436 HydrophobicContact CG2-CB 4.32Å
429S76.5Confident87.1Confident75 Ų7570.1 Ų70.152%0.52438%0.376SS..  trans-66.1149.7174.260.10000112A431 D432 V433S429-A431 PolarHBondContact O-N 3.39Å; S429-D432 PolarHBondContact O-N 2.79Å; S429-V433 PolarHBondContact O-N 3.07Å
430D75Confident87.1Confident153 Ų15366.5 Ų66.582%0.81836%0.359SS*.THydrogen-bonded Turntrans-46.7-32.8-178.1-65.9-24.5000115.1D432D430-D432 VanDerWaalsContact C-N 3.3Å; D430-D432 PolarHBondContact O-N 2.82Å
431A69.1Low87.3Confident85 Ų8565.2 Ų65.270%0.70235%0.353SS*.THydrogen-bonded Turntrans-63.8-29.7-177.900000114.3S429S429-A431 PolarHBondContact O-N 3.39Å
432D77.7Confident87.5Confident80 Ų8067.6 Ų67.643%0.42837%0.369SS..THydrogen-bonded Turntrans-113.6-2-174.7-66.8-45000113.2I428 S429 D430 H434 N435 A436I428-D432 HydrophobicContact CD1-CB 3.47Å; I428-D432 VanDerWaalsContact CD1-CB 3.47Å; I428-D432 HydrophobicContact CG1-CB 3.93Å; S429-D432 PolarHBondContact O-N 2.79Å; D430-D432 VanDerWaalsContact C-N 3.3Å; D430-D432 PolarHBondContact O-N 2.82Å; D432-H434 PolarHBondContact O-N 3.09Å; D432-N435 PolarHBondContact O-N 3.09Å; D432-A436 WeakPolarHBondContact O-CB 3.45Å; D432-A436 PolarHBondContact O-N 3.12Å
433V85.8Confident87.7Confident47 Ų4766 Ų6629%0.28536%0.361SS..Hα-helixtrans-54.7-40.9179.9172.30000111.5I428 S429 A436 M437I428-V433 HydrophobicContact CG2-CB 4.28Å; I428-V433 HydrophobicContact CG2-CG2 3.58Å; S429-V433 PolarHBondContact O-N 3.07Å; V433-A436 PolarHBondContact O-N 3.15Å; V433-M437 VanDerWaalsContact O-CB 3.23Å; V433-M437 WeakPolarHBondContact O-CB 3.44Å; V433-M437 PolarHBondContact O-N 2.91Å
434H85.2Confident88Confident120 Ų12062.2 Ų62.256%0.55634%0.341SS*.Hα-helixtrans-61.3-53-178-17469.4000111.9D432 A436 M437 D438 R482D432-H434 PolarHBondContact O-N 3.09Å; H434-A436 VanDerWaalsContact C-N 3.35Å; H434-A436 PolarHBondContact O-N 3.18Å; H434-M437 PolarHBondContact O-N 3.26Å; H434-D438 IonicContact CD2-OD2 2.75Å; H434-D438 IonicContact CE1-OD1 3.54Å; H434-D438 IonicContact NE2-OD2 2.85Å; H434-D438 PolarHBondContact NE2-OD2 3.03Å; H434-D438 PolarHBondContact O-N 3Å; H434-R482 PolarHBondContact ND1-NH2 2.91Å; H434-R482 PolarHBondContact O-NH2 3.21Å
435N87.1Confident88.5Confident92 Ų9261.3 Ų61.349%0.49234%0.338SS..Hα-helixtrans-63.7-40178.8-67.4-26.6000111.9D432 M437 D438 N439D432-N435 PolarHBondContact O-N 3.09Å; N435-M437 VanDerWaalsContact C-N 3.29Å; N435-M437 PolarHBondContact O-N 3.5Å; N435-D438 PolarHBondContact O-N 3.42Å; N435-N439 VanDerWaalsContact O-CG 3.25Å; N435-N439 PolarHBondContact O-N 3.15Å; N435-N439 VanDerWaalsContact O-N 3.1Å; N435-N439 PolarHBondContact O-ND2 2.86Å
436A90.1Very high88.9Confident17 Ų1759.8 Ų59.814%0.1433%0.328CS..Hα-helixtrans-61.1-42.2176.400000111.2V425 I428 D432 V433 H434 Y440V425-A436 HydrophobicContact CG2-CB 4.05Å; I428-A436 HydrophobicContact CD1-CB 4.06Å; I428-A436 HydrophobicContact CG2-CB 4.32Å; D432-A436 WeakPolarHBondContact O-CB 3.45Å; D432-A436 PolarHBondContact O-N 3.12Å; V433-A436 PolarHBondContact O-N 3.15Å; H434-A436 VanDerWaalsContact C-N 3.35Å; H434-A436 PolarHBondContact O-N 3.18Å; A436-Y440 WeakPolarHBondContact O-CB 3.2Å; A436-Y440 PolarHBondContact O-N 3.47Å
437M92.8Very high89.5Confident21 Ų2152.4 Ų52.410%0.10330%0.296CS..Hα-helixtrans-71.2-37.4179.1-169.467.7-175.700112.4V425 V433 H434 N435 Y440 E441 R482V425-M437 HydrophobicContact CG1-SD 4.03Å; V425-M437 HydrophobicContact CG2-SD 4.28Å; V433-M437 VanDerWaalsContact O-CB 3.23Å; V433-M437 WeakPolarHBondContact O-CB 3.44Å; V433-M437 PolarHBondContact O-N 2.91Å; H434-M437 PolarHBondContact O-N 3.26Å; N435-M437 VanDerWaalsContact C-N 3.29Å; N435-M437 PolarHBondContact O-N 3.5Å; M437-Y440 HydrophobicContact CE-CD1 3.74Å; M437-Y440 HydrophobicContact CE-CE1 3.71Å; M437-Y440 PolarHBondContact O-N 3.45Å; M437-Y440 HydrophobicContact SD-CD1 3.56Å; M437-Y440 VanDerWaalsContact SD-CD1 3.56Å; M437-Y440 HydrophobicContact SD-CE1 4.05Å; M437-Y440 HydrophobicContact SD-CG 4.46Å; M437-E441 HydrophobicContact CE-CG 4.21Å; M437-E441 WeakPolarHBondContact O-CG 3.33Å; M437-E441 PolarHBondContact O-N 3.34Å; M437-R482 HydrophobicContact CE-CB 4.21Å; M437-R482 HydrophobicContact CE-CG 3.45Å; M437-R482 VanDerWaalsContact CE-CG 3.45Å; M437-R482 VanDerWaalsContact CE-N 3.3Å; M437-R482 HydrophobicContact CG-CG 3.51Å; M437-R482 HydrophobicContact SD-CG 4.28Å
438D93.6Very high90.1Very high51 Ų5145.9 Ų45.927%0.27326%0.261SS..Hα-helixtrans-59.8-48.7173.2-71.7-20.5000111.2H434 N435 Y440 E441 C442 R482H434-D438 IonicContact CD2-OD2 2.75Å; H434-D438 IonicContact CE1-OD1 3.54Å; H434-D438 IonicContact NE2-OD2 2.85Å; H434-D438 PolarHBondContact NE2-OD2 3.03Å; H434-D438 PolarHBondContact O-N 3Å; N435-D438 PolarHBondContact O-N 3.42Å; D438-Y440 VanDerWaalsContact C-N 3.29Å; D438-Y440 PolarHBondContact O-N 3.32Å; D438-E441 PolarHBondContact O-N 3.19Å; D438-C442 WeakPolarHBondContact O-CB 3.45Å; D438-C442 PolarHBondContact O-N 3.43Å; D438-C442 PolarHBondContact O-SG 3.5Å; D438-R482 IonicContact OD1-CZ 3.03Å; D438-R482 IonicContact OD1-NH1 2.81Å; D438-R482 PolarHBondContact OD1-NH1 3.29Å; D438-R482 IonicContact OD1-NH2 3.6Å; D438-R482 PolarHBondContact OD1-NH2 3.24Å
439N94.3Very high90.9Very high39 Ų3943.6 Ų43.621%0.20925%0.249CC..Hα-helixtrans-62.9-38.7178.9-64.7-44.4000111.9N380 H382 N435 C442 N443N380-N439 WeakPolarHBondContact ND2-CB 3.36Å; N380-N439 PolarHBondContact ND2-ND2 3.37Å; N380-N439 VanDerWaalsContact ND2-ND2 3.13Å; H382-N439 PolarHBondContact CE1-OD1 3.41Å; H382-N439 PolarHBondContact ND1-OD1 3.13Å; H382-N439 PolarHBondContact NE2-OD1 2.99Å; N435-N439 VanDerWaalsContact O-CG 3.25Å; N435-N439 PolarHBondContact O-N 3.15Å; N435-N439 VanDerWaalsContact O-N 3.1Å; N435-N439 PolarHBondContact O-ND2 2.86Å; N439-C442 PolarHBondContact O-N 2.91Å; N439-N443 PolarHBondContact O-N 3.06Å; N439-N443 PolarHBondContact O-ND2 3.41Å; N439-N443 VanDerWaalsContact O-ND2 3.13Å
440Y96.2Very high91.9Very high9 Ų940 Ų404%0.03522%0.224CC..Hα-helixtrans-62.7-46.9175.2163-100000111.8I418 M422 A436 M437 D438 N443 L444 P479 R480I418-Y440 HydrophobicContact CG2-CD2 4.3Å; I418-Y440 HydrophobicContact CG2-CE2 3.8Å; M422-Y440 HydrophobicContact CG-CD2 4.1Å; M422-Y440 HydrophobicContact CG-CE2 3.38Å; M422-Y440 HydrophobicContact SD-CE2 4.35Å; A436-Y440 WeakPolarHBondContact O-CB 3.2Å; A436-Y440 PolarHBondContact O-N 3.47Å; M437-Y440 HydrophobicContact CE-CD1 3.74Å; M437-Y440 HydrophobicContact CE-CE1 3.71Å; M437-Y440 PolarHBondContact O-N 3.45Å; M437-Y440 HydrophobicContact SD-CD1 3.56Å; M437-Y440 VanDerWaalsContact SD-CD1 3.56Å; M437-Y440 HydrophobicContact SD-CE1 4.05Å; M437-Y440 HydrophobicContact SD-CG 4.46Å; D438-Y440 VanDerWaalsContact C-N 3.29Å; D438-Y440 PolarHBondContact O-N 3.32Å; Y440-N443 WeakPolarHBondContact O-CB 2.95Å; Y440-N443 PolarHBondContact O-N 2.93Å; Y440-N443 VanDerWaalsContact O-N 3.17Å; Y440-L444 HydrophobicContact CE1-CD1 3.88Å; Y440-L444 HydrophobicContact CE1-CG 4.5Å; Y440-L444 HydrophobicContact CE2-CD1 4.47Å; Y440-L444 HydrophobicContact CE2-CD2 4.25Å; Y440-L444 HydrophobicContact CE2-CG 4.43Å; Y440-L444 PolarHBondContact O-N 3.42Å; Y440-L444 VanDerWaalsContact O-N 3.17Å; Y440-P479 WeakPolarHBondContact OH-CA 3.36Å; Y440-P479 WeakPolarHBondContact OH-CB 3.38Å; Y440-R480 WeakPolarHBondContact CE1-O 3.25Å; Y440-R480 PolarHBondContact OH-N 2.85Å; Y440-R480 PolarHBondContact OH-O 3.31Å
441E97.5Very high93.1Very high19 Ų1932.7 Ų32.79%0.08919%0.185CC..Hα-helixtrans-64.4-41176.6-71.9-177.2148.900111.7M437 D438 N443 L444 Y445 T481 R482M437-E441 HydrophobicContact CE-CG 4.21Å; M437-E441 WeakPolarHBondContact O-CG 3.33Å; M437-E441 PolarHBondContact O-N 3.34Å; D438-E441 PolarHBondContact O-N 3.19Å; E441-N443 VanDerWaalsContact C-N 3.27Å; E441-N443 PolarHBondContact O-N 3.09Å; E441-L444 WeakPolarHBondContact O-CB 3.35Å; E441-L444 PolarHBondContact O-N 3.28Å; E441-Y445 HydrophobicContact CB-CE2 4.01Å; E441-Y445 VanDerWaalsContact O-CD2 3.23Å; E441-Y445 WeakPolarHBondContact O-CD2 3.47Å; E441-Y445 PolarHBondContact O-N 3.05Å; E441-T481 WeakPolarHBondContact OE1-CB 3.39Å; E441-R482 WeakPolarHBondContact OE1-CB 3.2Å; E441-R482 VanDerWaalsContact OE1-CG 3.27Å; E441-R482 WeakPolarHBondContact OE1-CG 3.43Å; E441-R482 PolarHBondContact OE1-N 3.35Å; E441-R482 IonicContact OE2-CZ 3.18Å; E441-R482 IonicContact OE2-NH1 3.16Å; E441-R482 PolarHBondContact OE2-NH1 3.11Å
442C97.6Very high94.5Very high52 Ų5228.7 Ų28.735%0.35115%0.152SC..Hα-helixtrans-55.1-42.6171.8-72.80000112H382 D438 N439 L444 Y445 T446H382-C442 HydrophobicContact CB-CB 4.49Å; D438-C442 WeakPolarHBondContact O-CB 3.45Å; D438-C442 PolarHBondContact O-N 3.43Å; D438-C442 PolarHBondContact O-SG 3.5Å; N439-C442 PolarHBondContact O-N 2.91Å; C442-L444 VanDerWaalsContact C-N 3.32Å; C442-L444 PolarHBondContact O-N 3.19Å; C442-Y445 PolarHBondContact O-N 2.89Å; C442-T446 WeakPolarHBondContact O-CB 3.22Å; C442-T446 PolarHBondContact O-N 3Å; C442-T446 PolarHBondContact O-OG1 2.65Å; C442-T446 VanDerWaalsContact O-OG1 3.09Å
443N98Very high95.5Very high0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-62.2-37.4175.9-76.9-44.3000112.5H382 E417 I418 N439 Y440 E441 F447H382-N443 WeakPolarHBondContact CA-OD1 3.25Å; H382-N443 WeakPolarHBondContact CB-OD1 3.4Å; E417-N443 WeakPolarHBondContact CG-ND2 3.36Å; E417-N443 PolarHBondContact OE1-ND2 3.29Å; I418-N443 HydrophobicContact CD1-CB 4.47Å; I418-N443 HydrophobicContact CG1-CB 3.7Å; N439-N443 PolarHBondContact O-N 3.06Å; N439-N443 PolarHBondContact O-ND2 3.41Å; N439-N443 VanDerWaalsContact O-ND2 3.13Å; Y440-N443 WeakPolarHBondContact O-CB 2.95Å; Y440-N443 PolarHBondContact O-N 2.93Å; Y440-N443 VanDerWaalsContact O-N 3.17Å; E441-N443 VanDerWaalsContact C-N 3.27Å; E441-N443 PolarHBondContact O-N 3.09Å; N443-F447 WeakPolarHBondContact O-CB 3.27Å; N443-F447 PolarHBondContact O-N 2.9Å
444L98.6Very high96Very high1 Ų122.7 Ų22.71%0.00512%0.118CC..Hα-helixtrans-64.8-43.3174.8-59.5-177000111.9I418 Y440 E441 C442 F447 L448 P479 T481 L490I418-L444 HydrophobicContact CD1-CD2 3.94Å; I418-L444 HydrophobicContact CG1-CD2 4.18Å; I418-L444 HydrophobicContact CG2-CD2 3.7Å; Y440-L444 HydrophobicContact CE1-CD1 3.88Å; Y440-L444 HydrophobicContact CE1-CG 4.5Å; Y440-L444 HydrophobicContact CE2-CD1 4.47Å; Y440-L444 HydrophobicContact CE2-CD2 4.25Å; Y440-L444 HydrophobicContact CE2-CG 4.43Å; Y440-L444 PolarHBondContact O-N 3.42Å; Y440-L444 VanDerWaalsContact O-N 3.17Å; E441-L444 WeakPolarHBondContact O-CB 3.35Å; E441-L444 PolarHBondContact O-N 3.28Å; C442-L444 VanDerWaalsContact C-N 3.32Å; C442-L444 PolarHBondContact O-N 3.19Å; L444-F447 WeakPolarHBondContact O-CB 3.46Å; L444-F447 PolarHBondContact O-N 2.89Å; L444-L448 PolarHBondContact O-N 2.81Å; L444-L448 VanDerWaalsContact O-N 3.09Å; L444-P479 HydrophobicContact CD1-CB 4.47Å; L444-P479 HydrophobicContact CD2-CB 3.64Å; L444-P479 HydrophobicContact CD2-CG 4.14Å; L444-T481 HydrophobicContact CD1-CG2 4.01Å; L444-L490 HydrophobicContact CB-CD1 4.42Å
445Y98.5Very high96.6Very high40 Ų4018.9 Ų18.916%0.15710%0.103CC..Hα-helixtrans-64.4-47177.2-53.4-38.8000111E441 C442 F447 L448 Y449 L490 T496 P497E441-Y445 HydrophobicContact CB-CE2 4.01Å; E441-Y445 VanDerWaalsContact O-CD2 3.23Å; E441-Y445 WeakPolarHBondContact O-CD2 3.47Å; E441-Y445 PolarHBondContact O-N 3.05Å; C442-Y445 PolarHBondContact O-N 2.89Å; Y445-F447 VanDerWaalsContact C-N 3.29Å; Y445-F447 PolarHBondContact O-N 3Å; Y445-L448 PolarHBondContact O-N 3.34Å; Y445-L448 VanDerWaalsContact O-N 3.1Å; Y445-Y449 WeakPolarHBondContact O-CD1 3.24Å; Y445-Y449 WeakPolarHBondContact O-CE1 3.27Å; Y445-Y449 PolarHBondContact O-N 3.01Å; Y445-L490 HydrophobicContact CD1-CD1 4.22Å; Y445-L490 HydrophobicContact CE1-CD1 4.07Å; Y445-L490 HydrophobicContact CE1-CD2 3.93Å; Y445-T496 HydrophobicContact CD1-CG2 4.23Å; Y445-P497 HydrophobicContact CD2-CG 4.38Å; Y445-P497 HydrophobicContact CE2-CG 4.05Å
446T98.7Very high97Very high4 Ų419.3 Ų19.33%0.02510%0.101CC..Hα-helixtrans-58.6-40.6175.1-61.90000112.2L385 L386 A389 C442 L448 Y449 L450L385-T446 VanDerWaalsContact C-CG2 3.48Å; L385-T446 HydrophobicContact CB-CG2 3.84Å; L385-T446 WeakPolarHBondContact O-CG2 3.33Å; L386-T446 HydrophobicContact CB-CG2 4.45Å; A389-T446 HydrophobicContact CB-CG2 4.35Å; C442-T446 WeakPolarHBondContact O-CB 3.22Å; C442-T446 PolarHBondContact O-N 3Å; C442-T446 PolarHBondContact O-OG1 2.65Å; C442-T446 VanDerWaalsContact O-OG1 3.09Å; T446-L448 VanDerWaalsContact C-N 3.34Å; T446-L448 PolarHBondContact O-N 2.93Å; T446-Y449 WeakPolarHBondContact O-CB 3.45Å; T446-Y449 PolarHBondContact O-N 3.29Å; T446-L450 HydrophobicContact CG2-CD1 4.35Å; T446-L450 WeakPolarHBondContact O-CG 3.42Å; T446-L450 PolarHBondContact O-N 2.74Å
447F98.8Very high97.3Very high0 Ų019.2 Ų19.20%010%0.098CC..Hα-helixtrans-58.6-46.4174.3-174.5-88.2000111.6L411 S414 V415 I418 N443 L444 Y445 Y449 L450 V451 I471 L474 L487L411-F447 HydrophobicContact CD2-CD2 3.85Å; L411-F447 HydrophobicContact CD2-CE1 4.49Å; L411-F447 HydrophobicContact CD2-CE2 3.5Å; L411-F447 HydrophobicContact CD2-CG 4.48Å; L411-F447 HydrophobicContact CD2-CZ 3.86Å; S414-F447 WeakPolarHBondContact OG-CD2 3.25Å; V415-F447 HydrophobicContact CG2-CE2 3.74Å; V415-F447 HydrophobicContact CG2-CZ 4.46Å; I418-F447 HydrophobicContact CD1-CB 3.93Å; I418-F447 HydrophobicContact CD1-CD2 4.18Å; I418-F447 HydrophobicContact CD1-CG 4.23Å; N443-F447 WeakPolarHBondContact O-CB 3.27Å; N443-F447 PolarHBondContact O-N 2.9Å; L444-F447 WeakPolarHBondContact O-CB 3.46Å; L444-F447 PolarHBondContact O-N 2.89Å; Y445-F447 VanDerWaalsContact C-N 3.29Å; Y445-F447 PolarHBondContact O-N 3Å; F447-Y449 VanDerWaalsContact C-N 3.31Å; F447-Y449 PolarHBondContact O-N 2.99Å; F447-L450 WeakPolarHBondContact O-CB 3.41Å; F447-L450 PolarHBondContact O-N 3.45Å; F447-L450 VanDerWaalsContact O-N 3.16Å; F447-V451 HydrophobicContact CD1-CG2 3.81Å; F447-V451 HydrophobicContact CE1-CG2 3.43Å; F447-V451 VanDerWaalsContact CE1-CG2 3.43Å; F447-V451 HydrophobicContact CZ-CG2 4.07Å; F447-V451 WeakPolarHBondContact O-CG2 3.16Å; F447-V451 PolarHBondContact O-N 2.97Å; F447-I471 HydrophobicContact CZ-CG1 4.25Å; F447-L474 HydrophobicContact CB-CD2 4.26Å; F447-L474 HydrophobicContact CD1-CD2 3.44Å; F447-L474 VanDerWaalsContact CD1-CD2 3.44Å; F447-L474 HydrophobicContact CD2-CD2 3.49Å; F447-L474 VanDerWaalsContact CD2-CD2 3.49Å; F447-L474 HydrophobicContact CE1-CB 4.45Å; F447-L474 HydrophobicContact CE1-CD2 3.5Å; F447-L474 HydrophobicContact CE2-CB 4.25Å; F447-L474 HydrophobicContact CE2-CD2 3.55Å; F447-L474 HydrophobicContact CG-CD2 3.43Å; F447-L474 VanDerWaalsContact CG-CD2 3.43Å; F447-L474 HydrophobicContact CZ-CB 3.98Å; F447-L474 HydrophobicContact CZ-CD2 3.56Å; F447-L474 HydrophobicContact CZ-CG 4.41Å; F447-L487 HydrophobicContact CD1-CD1 4.26Å; F447-L487 HydrophobicContact CD1-CD2 4.43Å; F447-L487 HydrophobicContact CE1-CD1 4.14Å
448L98.7Very high97.3Very high0 Ų027.5 Ų27.50%014%0.137CC..Hα-helixtrans-64.3-34176.9-72.4172.2000112.9L444 Y445 T446 V451 C452 L487 L490 F509 V514 L518L444-L448 PolarHBondContact O-N 2.81Å; L444-L448 VanDerWaalsContact O-N 3.09Å; Y445-L448 PolarHBondContact O-N 3.34Å; Y445-L448 VanDerWaalsContact O-N 3.1Å; T446-L448 VanDerWaalsContact C-N 3.34Å; T446-L448 PolarHBondContact O-N 2.93Å; L448-V451 PolarHBondContact O-N 2.85Å; L448-C452 WeakPolarHBondContact O-CB 3.39Å; L448-C452 PolarHBondContact O-N 2.8Å; L448-L487 HydrophobicContact CD1-CD2 4.39Å; L448-L487 HydrophobicContact CD2-CB 4.26Å; L448-L487 HydrophobicContact CD2-CD2 4.16Å; L448-L487 HydrophobicContact CG-CD2 4.09Å; L448-L490 HydrophobicContact CD1-CB 3.34Å; L448-L490 HydrophobicContact CD1-CD1 3.78Å; L448-L490 HydrophobicContact CD1-CG 4.21Å; L448-F509 HydrophobicContact CB-CE1 4.33Å; L448-F509 HydrophobicContact CB-CZ 3.76Å; L448-V514 HydrophobicContact CD2-CG1 4.18Å; L448-L518 HydrophobicContact CD2-CD1 4.16Å
449Y98.7Very high97.4Very high10 Ų1027.4 Ų27.44%0.03914%0.14CC..Hα-helixtrans-61.8-45.7172.4-52.1-21.6000110.5L386 A389 Y445 T446 F447 V451 C452 I453 P497 V498 D499 T503 C507 F509L386-Y449 HydrophobicContact CD1-CD2 4.16Å; L386-Y449 HydrophobicContact CD1-CE2 4.03Å; A389-Y449 HydrophobicContact CB-CD2 4.29Å; Y445-Y449 WeakPolarHBondContact O-CD1 3.24Å; Y445-Y449 WeakPolarHBondContact O-CE1 3.27Å; Y445-Y449 PolarHBondContact O-N 3.01Å; T446-Y449 WeakPolarHBondContact O-CB 3.45Å; T446-Y449 PolarHBondContact O-N 3.29Å; F447-Y449 VanDerWaalsContact C-N 3.31Å; F447-Y449 PolarHBondContact O-N 2.99Å; Y449-V451 VanDerWaalsContact C-N 3.34Å; Y449-V451 PolarHBondContact O-N 3.21Å; Y449-C452 WeakPolarHBondContact O-CB 3.4Å; Y449-C452 PolarHBondContact O-N 3.11Å; Y449-I453 WeakPolarHBondContact O-CB 3.29Å; Y449-I453 WeakPolarHBondContact O-CD1 3.41Å; Y449-I453 VanDerWaalsContact O-CG1 3.25Å; Y449-I453 WeakPolarHBondContact O-CG1 3.49Å; Y449-I453 PolarHBondContact O-N 2.69Å; Y449-P497 WeakPolarHBondContact CE1-O 3.38Å; Y449-P497 PolarHBondContact OH-O 2.89Å; Y449-V498 HydrophobicContact CE1-CB 4.5Å; Y449-V498 HydrophobicContact CE1-CG1 4.39Å; Y449-V498 HydrophobicContact CE1-CG2 4.46Å; Y449-V498 VanDerWaalsContact OH-CA 3.29Å; Y449-V498 WeakPolarHBondContact OH-CA 3.35Å; Y449-D499 HydrophobicContact CE2-CB 4.03Å; Y449-D499 PolarHBondContact OH-N 3.28Å; Y449-T503 HydrophobicContact CD1-CG2 4.3Å; Y449-T503 HydrophobicContact CD2-CG2 3.67Å; Y449-T503 HydrophobicContact CE2-CG2 4.19Å; Y449-T503 HydrophobicContact CG-CG2 3.75Å; Y449-C507 HydrophobicContact CD1-CB 4.37Å; Y449-F509 AromaticContact CD1-CE2 4Å; Y449-F509 HydrophobicContact CD1-CE2 4Å; Y449-F509 HydrophobicContact CD1-CZ 4.37Å; Y449-F509 AromaticContact CE1-CE2 3.98Å; Y449-F509 HydrophobicContact CE1-CE2 3.98Å
450L98.8Very high97.6Very high0 Ų028.1 Ų28.10%015%0.148CC..Hα-helixtrans-63-38.5176.7-66.4167000112.2A389 F392 V410 L411 T446 F447 I453 S454A389-L450 HydrophobicContact CB-CD2 4.19Å; A389-L450 HydrophobicContact CB-CG 4.41Å; F392-L450 HydrophobicContact CD2-CD2 3.88Å; F392-L450 HydrophobicContact CE2-CD2 4.07Å; V410-L450 HydrophobicContact CG1-CD1 3.63Å; V410-L450 HydrophobicContact CG1-CD2 3.94Å; V410-L450 HydrophobicContact CG1-CG 4.46Å; L411-L450 HydrophobicContact CD2-CB 3.6Å; L411-L450 HydrophobicContact CD2-CD1 4.31Å; L411-L450 HydrophobicContact CG-CB 4.18Å; T446-L450 HydrophobicContact CG2-CD1 4.35Å; T446-L450 WeakPolarHBondContact O-CG 3.42Å; T446-L450 PolarHBondContact O-N 2.74Å; F447-L450 WeakPolarHBondContact O-CB 3.41Å; F447-L450 PolarHBondContact O-N 3.45Å; F447-L450 VanDerWaalsContact O-N 3.16Å; L450-I453 PolarHBondContact O-N 2.99Å; L450-S454 WeakPolarHBondContact O-CB 3.45Å; L450-S454 PolarHBondContact O-N 3.26Å
451V98.8Very high97.6Very high0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-64.1-44.6172.8177.80000110.7L411 F447 L448 Y449 I453 S454 T455 I471 V514 L517L411-V451 HydrophobicContact CD2-CG2 4.16Å; F447-V451 HydrophobicContact CD1-CG2 3.81Å; F447-V451 HydrophobicContact CE1-CG2 3.43Å; F447-V451 VanDerWaalsContact CE1-CG2 3.43Å; F447-V451 HydrophobicContact CZ-CG2 4.07Å; F447-V451 WeakPolarHBondContact O-CG2 3.16Å; F447-V451 PolarHBondContact O-N 2.97Å; L448-V451 PolarHBondContact O-N 2.85Å; Y449-V451 VanDerWaalsContact C-N 3.34Å; Y449-V451 PolarHBondContact O-N 3.21Å; V451-I453 PolarHBondContact O-N 3.32Å; V451-S454 WeakPolarHBondContact O-CB 3.46Å; V451-S454 PolarHBondContact O-N 3.29Å; V451-S454 VanDerWaalsContact O-N 3.13Å; V451-S454 PolarHBondContact O-OG 3.35Å; V451-T455 PolarHBondContact O-N 2.76Å; V451-T455 VanDerWaalsContact O-N 3.12Å; V451-I471 HydrophobicContact CG1-CD1 3.9Å; V451-I471 HydrophobicContact CG2-CD1 3.95Å; V451-I471 HydrophobicContact CG2-CG1 3.91Å; V451-V514 HydrophobicContact CG1-CG1 3.93Å; V451-V514 HydrophobicContact CG1-CG2 4.31Å; V451-L517 HydrophobicContact CG1-CD2 3.88Å
452C98.4Very high97.6Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-58.4-46.6175.3-177.10000112L448 Y449 S454 T455 C507 N511 V514L448-C452 WeakPolarHBondContact O-CB 3.39Å; L448-C452 PolarHBondContact O-N 2.8Å; Y449-C452 WeakPolarHBondContact O-CB 3.4Å; Y449-C452 PolarHBondContact O-N 3.11Å; C452-S454 VanDerWaalsContact C-N 3.29Å; C452-S454 PolarHBondContact O-N 3.03Å; C452-T455 PolarHBondContact O-N 3.48Å; C452-T455 PolarHBondContact O-OG1 2.86Å; C452-C507 HydrophobicContact CB-CB 4.46Å; C452-N511 PolarHBondContact SG-ND2 3.47Å; C452-V514 HydrophobicContact CB-CG2 3.81Å
453I98.3Very high97.6Very high0 Ų041 Ų410%020%0.204CC..Hα-helixtrans-58.9-41174.9-69.6158.7000110.7A389 F392 S393 I396 I407 Y449 L450 V451 T455 K456 T457 V506A389-I453 HydrophobicContact CB-CD1 4.17Å; A389-I453 WeakPolarHBondContact O-CD1 3.26Å; F392-I453 HydrophobicContact CB-CD1 4.1Å; F392-I453 HydrophobicContact CB-CG2 3.81Å; F392-I453 HydrophobicContact CD2-CG2 4.42Å; F392-I453 HydrophobicContact CG-CG2 4.49Å; S393-I453 WeakPolarHBondContact OG-CD1 3.37Å; I396-I453 HydrophobicContact CD1-CB 4.49Å; I396-I453 HydrophobicContact CD1-CG2 3.9Å; I407-I453 HydrophobicContact CD1-CG2 4.01Å; Y449-I453 WeakPolarHBondContact O-CB 3.29Å; Y449-I453 WeakPolarHBondContact O-CD1 3.41Å; Y449-I453 VanDerWaalsContact O-CG1 3.25Å; Y449-I453 WeakPolarHBondContact O-CG1 3.49Å; Y449-I453 PolarHBondContact O-N 2.69Å; L450-I453 PolarHBondContact O-N 2.99Å; V451-I453 PolarHBondContact O-N 3.32Å; I453-T455 VanDerWaalsContact C-N 3.33Å; I453-T455 PolarHBondContact O-N 3.29Å; I453-K456 PolarHBondContact O-N 3.3Å; I453-T457 PolarHBondContact O-N 3.25Å; I453-T457 PolarHBondContact O-OG1 3.41Å; I453-V506 HydrophobicContact CG1-CG1 4.24Å
454S98.3Very high97.6Very high1 Ų143.5 Ų43.51%0.00722%0.216CC..Hα-helixtrans-60.5-38.7176.782.30000112.9L450 V451 C452 K456 T457L450-S454 WeakPolarHBondContact O-CB 3.45Å; L450-S454 PolarHBondContact O-N 3.26Å; V451-S454 WeakPolarHBondContact O-CB 3.46Å; V451-S454 PolarHBondContact O-N 3.29Å; V451-S454 VanDerWaalsContact O-N 3.13Å; V451-S454 PolarHBondContact O-OG 3.35Å; C452-S454 VanDerWaalsContact C-N 3.29Å; C452-S454 PolarHBondContact O-N 3.03Å; S454-K456 PolarHBondContact O-N 3.27Å; S454-K456 VanDerWaalsContact O-N 3.14Å; S454-T457 PolarHBondContact O-N 3.34Å
455T97.2Very high97.6Very high40 Ų4047.5 Ų47.525%0.24524%0.243CC..Hα-helixtrans-66.1-16.4177.167.90000113.9V451 C452 I453 L513 V514 L517V451-T455 PolarHBondContact O-N 2.76Å; V451-T455 VanDerWaalsContact O-N 3.12Å; C452-T455 PolarHBondContact O-N 3.48Å; C452-T455 PolarHBondContact O-OG1 2.86Å; I453-T455 VanDerWaalsContact C-N 3.33Å; I453-T455 PolarHBondContact O-N 3.29Å; T455-L513 HydrophobicContact CG2-CB 4.05Å; T455-V514 HydrophobicContact CG2-CG2 4.34Å; T455-L517 HydrophobicContact CG2-CD2 3.85Å
456K95.2Very high97.6Very high102 Ų10249.6 Ų49.644%0.44325%0.253SS..THydrogen-bonded Turntrans-100.9-1.9178-65.5-178.5171.8-167.90112.9I396 I453 S454 V506I396-K456 HydrophobicContact CD1-CB 4.14Å; I453-K456 PolarHBondContact O-N 3.3Å; S454-K456 PolarHBondContact O-N 3.27Å; S454-K456 VanDerWaalsContact O-N 3.14Å; K456-V506 HydrophobicContact CD-CG1 3.64Å; K456-V506 WeakPolarHBondContact CE-O 3.46Å; K456-V506 PolarHBondContact NZ-O 2.88Å
457T95.6Very high97.7Very high14 Ų1449.5 Ų49.59%0.08625%0.252CS..SBendtrans-97.7122.3-175.9-59.60000110.4V402 A404 I407 I453 S454 C459V402-T457 WeakPolarHBondContact O-CG2 3.17Å; A404-T457 HydrophobicContact CB-CG2 4.35Å; I407-T457 HydrophobicContact CD1-CG2 3.79Å; I407-T457 WeakPolarHBondContact CD1-OG1 3.23Å; I453-T457 PolarHBondContact O-N 3.25Å; I453-T457 PolarHBondContact O-OG1 3.41Å; S454-T457 PolarHBondContact O-N 3.34Å; T457-C459 PolarHBondContact O-N 3.13Å
458Q93.6Very high97.6Very high196 Ų19651.6 Ų51.692%0.91626%0.264SS*.  trans-73.2124.2174.4-64.9-177.73.800109.6
459C96Very high97.7Very high48 Ų4857.8 Ų57.832%0.32429%0.29SS..  trans-151.3169.8-179.168.90000112.8A404 T457 D463 Q464A404-C459 HydrophobicContact CB-CB 3.4Å; T457-C459 PolarHBondContact O-N 3.13Å; C459-D463 HydrophobicContact CB-CB 4.07Å; C459-Q464 PolarHBondContact SG-OE1 2.96Å
460S97.5Very high97.7Very high54 Ų5458 Ų5838%0.37829%0.292SS..  trans-71.9158.3174.472.40000111.1E462 D463 Q464S460-E462 PolarHBondContact O-N 2.77Å; S460-D463 PolarHBondContact O-N 3.02Å; S460-D463 PolarHBondContact OG-N 3.41Å; S460-D463 VanDerWaalsContact OG-N 3.12Å; S460-D463 PolarHBondContact OG-OD2 3.15Å; S460-Q464 PolarHBondContact O-N 3.21Å
461E96.8Very high97.7Very high185 Ų18558 Ų5886%0.86429%0.292SS*.Hα-helixtrans-58-33.2173.2-68.3-177.3174.900112.1C465E461-C465 WeakPolarHBondContact O-CB 3.49Å; E461-C465 PolarHBondContact O-N 3.02Å
462E97.9Very high97.7Very high128 Ų12863.2 Ų63.260%0.59831%0.312SS*.Hα-helixtrans-65.9-44.9177-166.6-167.8143.300111.5S460 C465 K466S460-E462 PolarHBondContact O-N 2.77Å; E462-C465 WeakPolarHBondContact O-CB 3.28Å; E462-C465 PolarHBondContact O-N 3.35Å; E462-K466 WeakPolarHBondContact O-CG 3.49Å; E462-K466 PolarHBondContact O-N 3.42Å; E462-K466 VanDerWaalsContact O-N 3.14Å; E462-K466 VanDerWaalsContact OE1-CE 3.28Å; E462-K466 WeakPolarHBondContact OE1-CE 3.49Å; E462-K466 IonicContact OE1-NZ 2.92Å; E462-K466 PolarHBondContact OE1-NZ 3.39Å
463D98.2Very high97.7Very high38 Ų3866 Ų6620%0.20333%0.327CS..Hα-helixtrans-69.1-40.5178.5-63-42.3000111.5A404 C459 S460 C465 K466 I467A404-D463 HydrophobicContact CB-CB 3.91Å; C459-D463 HydrophobicContact CB-CB 4.07Å; S460-D463 PolarHBondContact O-N 3.02Å; S460-D463 PolarHBondContact OG-N 3.41Å; S460-D463 VanDerWaalsContact OG-N 3.12Å; S460-D463 PolarHBondContact OG-OD2 3.15Å; D463-C465 VanDerWaalsContact C-N 3.26Å; D463-C465 PolarHBondContact O-N 2.9Å; D463-K466 PolarHBondContact O-N 3.3Å; D463-K466 VanDerWaalsContact O-N 3.14Å; D463-K466 IonicContact OD1-NZ 2.73Å; D463-I467 PolarHBondContact O-N 2.97Å
464Q97.9Very high97.7Very high52 Ų5266 Ų6624%0.24333%0.327CS..Hα-helixtrans-58.8-40.5172.9-171.964.855.400111C459 S460 K466 I467 N468C459-Q464 PolarHBondContact SG-OE1 2.96Å; S460-Q464 PolarHBondContact O-N 3.21Å; Q464-K466 VanDerWaalsContact C-N 3.34Å; Q464-K466 PolarHBondContact O-N 3.02Å; Q464-I467 PolarHBondContact O-N 3.04Å; Q464-N468 PolarHBondContact NE2-OD1 3.48Å; Q464-N468 WeakPolarHBondContact O-CB 3.32Å; Q464-N468 PolarHBondContact O-N 3.1Å; Q464-N468 PolarHBondContact O-OD1 3.45Å; Q464-N468 VanDerWaalsContact O-OD1 3.09Å
465C98.5Very high97.7Very high86 Ų8667 Ų6758%0.58133%0.333SS*.Hα-helixtrans-61.9-41.1176.2-173.80000112E461 E462 D463 N468 K469E461-C465 WeakPolarHBondContact O-CB 3.49Å; E461-C465 PolarHBondContact O-N 3.02Å; E462-C465 WeakPolarHBondContact O-CB 3.28Å; E462-C465 PolarHBondContact O-N 3.35Å; D463-C465 VanDerWaalsContact C-N 3.26Å; D463-C465 PolarHBondContact O-N 2.9Å; C465-N468 PolarHBondContact O-N 3.06Å; C465-K469 WeakPolarHBondContact O-CB 3.2Å; C465-K469 PolarHBondContact O-N 3.41Å
466K98.7Very high97.7Very high84 Ų8470.5 Ų70.537%0.36535%0.346SS..Hα-helixtrans-65.3-41.1176.4-63.7167.2-172155.90111.8E408 E462 D463 Q464 K469 Q470E408-K466 HydrophobicContact CG-CB 3.82Å; E462-K466 WeakPolarHBondContact O-CG 3.49Å; E462-K466 PolarHBondContact O-N 3.42Å; E462-K466 VanDerWaalsContact O-N 3.14Å; E462-K466 VanDerWaalsContact OE1-CE 3.28Å; E462-K466 WeakPolarHBondContact OE1-CE 3.49Å; E462-K466 IonicContact OE1-NZ 2.92Å; E462-K466 PolarHBondContact OE1-NZ 3.39Å; D463-K466 PolarHBondContact O-N 3.3Å; D463-K466 VanDerWaalsContact O-N 3.14Å; D463-K466 IonicContact OD1-NZ 2.73Å; Q464-K466 VanDerWaalsContact C-N 3.34Å; Q464-K466 PolarHBondContact O-N 3.02Å; K466-K469 WeakPolarHBondContact O-CB 3.43Å; K466-K469 PolarHBondContact O-N 2.97Å; K466-Q470 PolarHBondContact O-N 3.21Å
467I98.8Very high97.8Very high1 Ų168.4 Ų68.41%0.00534%0.339CS..Hα-helixtrans-60.8-51.3173.2-72.2171.5000110.5A404 I407 E408 L411 D463 Q464 K469 Q470 I471A404-I467 HydrophobicContact CB-CD1 4.09Å; I407-I467 HydrophobicContact CB-CD1 4.47Å; I407-I467 HydrophobicContact CG2-CD1 4.33Å; E408-I467 HydrophobicContact CB-CG1 3.99Å; L411-I467 HydrophobicContact CD1-CG2 3.77Å; D463-I467 PolarHBondContact O-N 2.97Å; Q464-I467 PolarHBondContact O-N 3.04Å; I467-K469 PolarHBondContact O-N 3.31Å; I467-Q470 PolarHBondContact O-N 3.37Å; I467-I471 HydrophobicContact CG2-CD1 4.04Å; I467-I471 PolarHBondContact O-N 2.95Å
468N98.7Very high97.9Very high44 Ų4471.4 Ų71.424%0.23536%0.355CS..Hα-helixtrans-59.3-35.1-179.5-69.98.3000111.8Q464 C465 Q470 I471 Y472 L517Q464-N468 PolarHBondContact NE2-OD1 3.48Å; Q464-N468 WeakPolarHBondContact O-CB 3.32Å; Q464-N468 PolarHBondContact O-N 3.1Å; Q464-N468 PolarHBondContact O-OD1 3.45Å; Q464-N468 VanDerWaalsContact O-OD1 3.09Å; C465-N468 PolarHBondContact O-N 3.06Å; N468-Q470 VanDerWaalsContact C-N 3.31Å; N468-Q470 PolarHBondContact O-N 3.11Å; N468-I471 PolarHBondContact O-N 3.46Å; N468-Y472 VanDerWaalsContact O-CB 3.31Å; N468-Y472 WeakPolarHBondContact O-CB 3.4Å; N468-Y472 PolarHBondContact O-N 3.41Å; N468-L517 WeakPolarHBondContact OD1-CD1 3.48Å
469K98.8Very high98.1Very high130 Ų13062.3 Ų62.357%0.56531%0.312SS*.Hα-helixtrans-58.5-41.1173.5-175.4-177.4179-178.50112.1C465 K466 I467 N473C465-K469 WeakPolarHBondContact O-CB 3.2Å; C465-K469 PolarHBondContact O-N 3.41Å; K466-K469 WeakPolarHBondContact O-CB 3.43Å; K466-K469 PolarHBondContact O-N 2.97Å; I467-K469 PolarHBondContact O-N 3.31Å; K469-N473 WeakPolarHBondContact O-CB 3.48Å; K469-N473 PolarHBondContact O-N 3.49Å; K469-N473 PolarHBondContact O-ND2 3.08Å; K469-N473 PolarHBondContact O-OD1 3.06Å
470Q98.8Very high98.2Very high15 Ų1562.9 Ų62.97%0.0731%0.308CS..Hα-helixtrans-70.1-37.2177.7-52.3-49.9-2200111.9E408 L411 R412 V415 K466 I467 N468 N473 L474E408-Q470 HydrophobicContact CG-CG 4.38Å; E408-Q470 PolarHBondContact OE1-NE2 3.02Å; L411-Q470 HydrophobicContact CB-CB 4Å; L411-Q470 HydrophobicContact CB-CG 4.36Å; R412-Q470 HydrophobicContact CB-CG 4.15Å; V415-Q470 HydrophobicContact CG2-CB 4.34Å; V415-Q470 WeakPolarHBondContact CG2-O 2.88Å; K466-Q470 PolarHBondContact O-N 3.21Å; I467-Q470 PolarHBondContact O-N 3.37Å; N468-Q470 VanDerWaalsContact C-N 3.31Å; N468-Q470 PolarHBondContact O-N 3.11Å; Q470-N473 PolarHBondContact O-N 2.79Å; Q470-N473 PolarHBondContact OE1-ND2 2.83Å; Q470-L474 PolarHBondContact O-N 2.98Å; Q470-L474 VanDerWaalsContact O-N 3.13Å
471I98.9Very high98.2Very high0 Ų060.7 Ų60.70%029%0.292CS..Hα-helixtrans-61.2-49.3173.3-59.6173.5000110.8F447 V451 I467 N468 N473 L474 I475 L517 L518 C521F447-I471 HydrophobicContact CZ-CG1 4.25Å; V451-I471 HydrophobicContact CG1-CD1 3.9Å; V451-I471 HydrophobicContact CG2-CD1 3.95Å; V451-I471 HydrophobicContact CG2-CG1 3.91Å; I467-I471 HydrophobicContact CG2-CD1 4.04Å; I467-I471 PolarHBondContact O-N 2.95Å; N468-I471 PolarHBondContact O-N 3.46Å; I471-N473 PolarHBondContact O-N 3.29Å; I471-L474 PolarHBondContact O-N 3.24Å; I471-I475 HydrophobicContact CG2-CD1 3.81Å; I471-I475 HydrophobicContact CG2-CG1 4.5Å; I471-I475 WeakPolarHBondContact O-CG1 3.41Å; I471-I475 PolarHBondContact O-N 3.04Å; I471-L517 HydrophobicContact CD1-CD2 3.63Å; I471-L517 HydrophobicContact CD1-CG 3.95Å; I471-L518 HydrophobicContact CG2-CD2 3.79Å; I471-C521 HydrophobicContact CB-CB 4.27Å; I471-C521 HydrophobicContact CG2-CB 3.74Å
472Y98.8Very high98.1Very high110 Ų11056.3 Ų56.343%0.43127%0.268SS..Hα-helixtrans-55.8-48.3174.5173.8-89.6000112.1N468 L474 I475 H476 C521N468-Y472 VanDerWaalsContact O-CB 3.31Å; N468-Y472 WeakPolarHBondContact O-CB 3.4Å; N468-Y472 PolarHBondContact O-N 3.41Å; Y472-L474 VanDerWaalsContact C-N 3.31Å; Y472-L474 PolarHBondContact O-N 3.32Å; Y472-I475 PolarHBondContact O-N 2.81Å; Y472-H476 AromaticContact CD1-CD2 3.94Å; Y472-H476 AromaticContact CD2-CD2 3.68Å; Y472-H476 AromaticContact CD2-NE2 3.85Å; Y472-H476 AromaticContact CE1-CD2 3.51Å; Y472-H476 AromaticContact CE2-CD2 3.22Å; Y472-H476 WeakPolarHBondContact CE2-CD2 3.18Å; Y472-H476 AromaticContact CE2-NE2 3.02Å; Y472-H476 WeakPolarHBondContact CE2-NE2 3.39Å; Y472-H476 AromaticContact CZ-CD2 3.1Å; Y472-H476 AromaticContact CZ-NE2 3.11Å; Y472-H476 PolarHBondContact O-CD2 3.32Å; Y472-H476 PolarHBondContact O-N 3.26Å; Y472-H476 PolarHBondContact OH-CD2 3.43Å; Y472-H476 PolarHBondContact OH-NE2 3.23Å; Y472-C521 WeakPolarHBondContact CD2-O 3.41Å
473N98.8Very high98Very high59 Ų5956 Ų5632%0.31627%0.266SS..Hα-helixtrans-57.3-45180-70.7-20.6000111.4V415 K469 Q470 I471 H476 L477V415-N473 HydrophobicContact CG1-CB 4.36Å; K469-N473 WeakPolarHBondContact O-CB 3.48Å; K469-N473 PolarHBondContact O-N 3.49Å; K469-N473 PolarHBondContact O-ND2 3.08Å; K469-N473 PolarHBondContact O-OD1 3.06Å; Q470-N473 PolarHBondContact O-N 2.79Å; Q470-N473 PolarHBondContact OE1-ND2 2.83Å; I471-N473 PolarHBondContact O-N 3.29Å; N473-H476 PolarHBondContact O-N 2.96Å; N473-L477 PolarHBondContact O-N 2.94Å
474L98.7Very high98Very high0 Ų054.4 Ų54.40%026%0.259CS..Hα-helixtrans-70.1-41.7179.3-175.162.4000112.5V415 I418 F447 Q470 I471 Y472 H476 L477 P479 L487V415-L474 HydrophobicContact CG1-CB 4.33Å; V415-L474 HydrophobicContact CG1-CD1 4.4Å; V415-L474 HydrophobicContact CG2-CB 3.92Å; I418-L474 HydrophobicContact CB-CD1 3.97Å; I418-L474 HydrophobicContact CD1-CD1 3.93Å; I418-L474 HydrophobicContact CD1-CD2 3.54Å; I418-L474 HydrophobicContact CD1-CG 4.42Å; I418-L474 HydrophobicContact CG2-CD1 3.75Å; F447-L474 HydrophobicContact CB-CD2 4.26Å; F447-L474 HydrophobicContact CD1-CD2 3.44Å; F447-L474 VanDerWaalsContact CD1-CD2 3.44Å; F447-L474 HydrophobicContact CD2-CD2 3.49Å; F447-L474 VanDerWaalsContact CD2-CD2 3.49Å; F447-L474 HydrophobicContact CE1-CB 4.45Å; F447-L474 HydrophobicContact CE1-CD2 3.5Å; F447-L474 HydrophobicContact CE2-CB 4.25Å; F447-L474 HydrophobicContact CE2-CD2 3.55Å; F447-L474 HydrophobicContact CG-CD2 3.43Å; F447-L474 VanDerWaalsContact CG-CD2 3.43Å; F447-L474 HydrophobicContact CZ-CB 3.98Å; F447-L474 HydrophobicContact CZ-CD2 3.56Å; F447-L474 HydrophobicContact CZ-CG 4.41Å; Q470-L474 PolarHBondContact O-N 2.98Å; Q470-L474 VanDerWaalsContact O-N 3.13Å; I471-L474 PolarHBondContact O-N 3.24Å; Y472-L474 VanDerWaalsContact C-N 3.31Å; Y472-L474 PolarHBondContact O-N 3.32Å; L474-H476 PolarHBondContact O-N 3.43Å; L474-L477 HydrophobicContact CD1-CD1 4.13Å; L474-L477 WeakPolarHBondContact O-CB 3.45Å; L474-L477 PolarHBondContact O-N 2.87Å; L474-P479 HydrophobicContact CD1-CG 4.02Å; L474-P479 HydrophobicContact CG-CG 4.02Å; L474-P479 WeakPolarHBondContact O-CD 3.39Å; L474-L487 HydrophobicContact CD2-CD1 3.81Å; L474-L487 HydrophobicContact CG-CD1 4.08Å
475I98.7Very high98Very high22 Ų2252.8 Ų52.811%0.11325%0.251CS..Hα-helixtrans-54.3-43176.1-74.1167.2000110.3I471 Y472 L477 D478 L487 L518 C521 A523I471-I475 HydrophobicContact CG2-CD1 3.81Å; I471-I475 HydrophobicContact CG2-CG1 4.5Å; I471-I475 WeakPolarHBondContact O-CG1 3.41Å; I471-I475 PolarHBondContact O-N 3.04Å; Y472-I475 PolarHBondContact O-N 2.81Å; I475-L477 VanDerWaalsContact C-N 3.26Å; I475-L477 PolarHBondContact O-N 3.29Å; I475-D478 WeakPolarHBondContact O-CA 3.13Å; I475-D478 PolarHBondContact O-N 3.38Å; I475-L487 HydrophobicContact CG1-CD1 4.17Å; I475-L518 HydrophobicContact CD1-CD2 3.98Å; I475-L518 WeakPolarHBondContact CD1-O 3.48Å; I475-L518 HydrophobicContact CG1-CD2 4.38Å; I475-C521 HydrophobicContact CD1-CB 3.75Å; I475-A523 HydrophobicContact CD1-CB 4.05Å; I475-A523 HydrophobicContact CG2-CB 4.4Å
476H97Very high98Very high113 Ų11349.3 Ų49.352%0.52323%0.227SC..Hα-helixtrans-71.5-15.2-179.8-88.6-72.5000115.1Y472 N473 L474 D478Y472-H476 AromaticContact CD1-CD2 3.94Å; Y472-H476 AromaticContact CD2-CD2 3.68Å; Y472-H476 AromaticContact CD2-NE2 3.85Å; Y472-H476 AromaticContact CE1-CD2 3.51Å; Y472-H476 AromaticContact CE2-CD2 3.22Å; Y472-H476 WeakPolarHBondContact CE2-CD2 3.18Å; Y472-H476 AromaticContact CE2-NE2 3.02Å; Y472-H476 WeakPolarHBondContact CE2-NE2 3.39Å; Y472-H476 AromaticContact CZ-CD2 3.1Å; Y472-H476 AromaticContact CZ-NE2 3.11Å; Y472-H476 PolarHBondContact O-CD2 3.32Å; Y472-H476 PolarHBondContact O-N 3.26Å; Y472-H476 PolarHBondContact OH-CD2 3.43Å; Y472-H476 PolarHBondContact OH-NE2 3.23Å; N473-H476 PolarHBondContact O-N 2.96Å; L474-H476 PolarHBondContact O-N 3.43Å; H476-D478 PolarHBondContact O-N 2.88Å
477L97.9Very high98Very high57 Ų5745.6 Ų45.630%0.29821%0.211SC..THydrogen-bonded Turntrans-75.6-10.8167.6-65.5177000112.4V415 E419 M422 N473 L474 I475V415-L477 HydrophobicContact CG1-CD1 4.13Å; E419-L477 HydrophobicContact CB-CD1 3.85Å; E419-L477 HydrophobicContact CG-CD1 4.16Å; M422-L477 WeakPolarHBondContact CE-O 3.5Å; M422-L477 HydrophobicContact SD-CB 4.5Å; N473-L477 PolarHBondContact O-N 2.94Å; L474-L477 HydrophobicContact CD1-CD1 4.13Å; L474-L477 WeakPolarHBondContact O-CB 3.45Å; L474-L477 PolarHBondContact O-N 2.87Å; I475-L477 VanDerWaalsContact C-N 3.26Å; I475-L477 PolarHBondContact O-N 3.29Å
478D97.3Very high98Very high78 Ų7845.6 Ų45.642%0.41721%0.211SC..  trans48.455.6-176.4-167.732.6000113.8I475 H476 R480I475-D478 WeakPolarHBondContact O-CA 3.13Å; I475-D478 PolarHBondContact O-N 3.38Å; H476-D478 PolarHBondContact O-N 2.88Å; D478-R480 VanDerWaalsContact CG-NE 3.31Å; D478-R480 VanDerWaalsContact CG-NH2 3.33Å; D478-R480 PolarHBondContact O-N 3.27Å; D478-R480 IonicContact OD1-CZ 2.74Å; D478-R480 IonicContact OD1-NE 3.63Å; D478-R480 PolarHBondContact OD1-NE 3.49Å; D478-R480 IonicContact OD1-NH2 2.88Å; D478-R480 PolarHBondContact OD1-NH2 2.97Å; D478-R480 IonicContact OD2-CZ 2.75Å; D478-R480 IonicContact OD2-NE 2.95Å; D478-R480 PolarHBondContact OD2-NE 3.41Å; D478-R480 IonicContact OD2-NH2 3.78Å; D478-R480 PolarHBondContact OD2-NH2 2.67Å
479P97.7Very high98Very high4 Ų443.6 Ų43.63%0.02620%0.2CC..  trans-66.2131.4177.228.6-35.1000110.8I418 M422 Y440 L444 L474 L487I418-P479 HydrophobicContact CG2-CB 4.24Å; M422-P479 HydrophobicContact SD-CB 4.34Å; Y440-P479 WeakPolarHBondContact OH-CA 3.36Å; Y440-P479 WeakPolarHBondContact OH-CB 3.38Å; L444-P479 HydrophobicContact CD1-CB 4.47Å; L444-P479 HydrophobicContact CD2-CB 3.64Å; L444-P479 HydrophobicContact CD2-CG 4.14Å; L474-P479 HydrophobicContact CD1-CG 4.02Å; L474-P479 HydrophobicContact CG-CG 4.02Å; L474-P479 WeakPolarHBondContact O-CD 3.39Å; P479-L487 HydrophobicContact CG-CD1 4.48Å; P479-L487 HydrophobicContact CG-CG 4.3Å
480R97.4Very high98Very high60 Ų6037.5 Ų37.523%0.22617%0.174CC..  trans-121138.9177.8-57.1-66.2177.3145.1-3.8111.1Y440 D478 G484 F485 V528Y440-R480 WeakPolarHBondContact CE1-O 3.25Å; Y440-R480 PolarHBondContact OH-N 2.85Å; Y440-R480 PolarHBondContact OH-O 3.31Å; D478-R480 VanDerWaalsContact CG-NE 3.31Å; D478-R480 VanDerWaalsContact CG-NH2 3.33Å; D478-R480 PolarHBondContact O-N 3.27Å; D478-R480 IonicContact OD1-CZ 2.74Å; D478-R480 IonicContact OD1-NE 3.63Å; D478-R480 PolarHBondContact OD1-NE 3.49Å; D478-R480 IonicContact OD1-NH2 2.88Å; D478-R480 PolarHBondContact OD1-NH2 2.97Å; D478-R480 IonicContact OD2-CZ 2.75Å; D478-R480 IonicContact OD2-NE 2.95Å; D478-R480 PolarHBondContact OD2-NE 3.41Å; D478-R480 IonicContact OD2-NH2 3.78Å; D478-R480 PolarHBondContact OD2-NH2 2.67Å; R480-G484 WeakPolarHBondContact CD-O 3.44Å; R480-G484 PolarHBondContact NH1-O 3.34Å; R480-F485 WeakPolarHBondContact CA-O 3.4Å; R480-V528 PolarHBondContact NH1-O 3.07Å
481T97.5Very high98Very high9 Ų936.8 Ų36.86%0.05517%0.171CC..  trans-71.2177.9168.167.60000111.5E441 L444 E483 G484 F485 L490E441-T481 WeakPolarHBondContact OE1-CB 3.39Å; L444-T481 HydrophobicContact CD1-CG2 4.01Å; T481-E483 PolarHBondContact O-N 2.93Å; T481-E483 PolarHBondContact OG1-N 3.3Å; T481-G484 PolarHBondContact O-N 3.1Å; T481-G484 PolarHBondContact OG1-N 3Å; T481-F485 HydrophobicContact CG2-CB 4.01Å; T481-F485 PolarHBondContact N-O 3.12Å; T481-F485 WeakPolarHBondContact OG1-CB 3.49Å; T481-F485 PolarHBondContact OG1-N 3.26Å; T481-L490 HydrophobicContact CG2-CD1 3.98Å; T481-L490 HydrophobicContact CG2-CD2 4.18Å; T481-L490 HydrophobicContact CG2-CG 4.41Å
482R94.8Very high98Very high93 Ų9336.9 Ų36.935%0.35117%0.171SC..THydrogen-bonded Turntrans-56.9-32.3171.7-72176.3179.1128.8-10.8113H434 M437 D438 E441 G484 N530H434-R482 PolarHBondContact ND1-NH2 2.91Å; H434-R482 PolarHBondContact O-NH2 3.21Å; M437-R482 HydrophobicContact CE-CB 4.21Å; M437-R482 HydrophobicContact CE-CG 3.45Å; M437-R482 VanDerWaalsContact CE-CG 3.45Å; M437-R482 VanDerWaalsContact CE-N 3.3Å; M437-R482 HydrophobicContact CG-CG 3.51Å; M437-R482 HydrophobicContact SD-CG 4.28Å; D438-R482 IonicContact OD1-CZ 3.03Å; D438-R482 IonicContact OD1-NH1 2.81Å; D438-R482 PolarHBondContact OD1-NH1 3.29Å; D438-R482 IonicContact OD1-NH2 3.6Å; D438-R482 PolarHBondContact OD1-NH2 3.24Å; E441-R482 WeakPolarHBondContact OE1-CB 3.2Å; E441-R482 VanDerWaalsContact OE1-CG 3.27Å; E441-R482 WeakPolarHBondContact OE1-CG 3.43Å; E441-R482 PolarHBondContact OE1-N 3.35Å; E441-R482 IonicContact OE2-CZ 3.18Å; E441-R482 IonicContact OE2-NH1 3.16Å; E441-R482 PolarHBondContact OE2-NH1 3.11Å; R482-G484 VanDerWaalsContact C-N 3.27Å; R482-N530 PolarHBondContact O-ND2 3.45Å
483E96.5Very high97.9Very high121 Ų12132.4 Ų32.457%0.56516%0.155SC*.THydrogen-bonded Turntrans-85-0.9177.5-62-173.7166.900112.6T481 F485 N530T481-E483 PolarHBondContact O-N 2.93Å; T481-E483 PolarHBondContact OG1-N 3.3Å; E483-F485 HydrophobicContact CB-CD1 4.49Å; E483-F485 HydrophobicContact CB-CD2 4.38Å; E483-F485 HydrophobicContact CB-CE1 4.35Å; E483-F485 HydrophobicContact CB-CE2 4.24Å; E483-F485 HydrophobicContact CB-CG 4.49Å; E483-F485 HydrophobicContact CB-CZ 4.21Å; E483-F485 WeakPolarHBondContact OE2-CE2 3.37Å; E483-F485 WeakPolarHBondContact OE2-CZ 3.37Å; E483-N530 VanDerWaalsContact C-ND2 3.33Å; E483-N530 VanDerWaalsContact O-CB 3.28Å; E483-N530 WeakPolarHBondContact O-CB 3.41Å; E483-N530 VanDerWaalsContact O-CG 3.29Å; E483-N530 PolarHBondContact O-N 3.27Å
484G97.6Very high97.7Very high5 Ų531.5 Ų31.55%0.05215%0.153CC..  trans83.810.5-178.400000113.9R480 T481 R482 T486R480-G484 WeakPolarHBondContact CD-O 3.44Å; R480-G484 PolarHBondContact NH1-O 3.34Å; T481-G484 PolarHBondContact O-N 3.1Å; T481-G484 PolarHBondContact OG1-N 3Å; R482-G484 VanDerWaalsContact C-N 3.27Å; G484-T486 PolarHBondContact O-N 3.21Å
485F98.7Very high97.5Very high17 Ų1737.5 Ų37.58%0.07519%0.185CC..  trans-68.4131179.5-65.4-23.1000111.7R480 T481 E483 H489 L490 N493 D529 I538R480-F485 WeakPolarHBondContact CA-O 3.4Å; T481-F485 HydrophobicContact CG2-CB 4.01Å; T481-F485 PolarHBondContact N-O 3.12Å; T481-F485 WeakPolarHBondContact OG1-CB 3.49Å; T481-F485 PolarHBondContact OG1-N 3.26Å; E483-F485 HydrophobicContact CB-CD1 4.49Å; E483-F485 HydrophobicContact CB-CD2 4.38Å; E483-F485 HydrophobicContact CB-CE1 4.35Å; E483-F485 HydrophobicContact CB-CE2 4.24Å; E483-F485 HydrophobicContact CB-CG 4.49Å; E483-F485 HydrophobicContact CB-CZ 4.21Å; E483-F485 WeakPolarHBondContact OE2-CE2 3.37Å; E483-F485 WeakPolarHBondContact OE2-CZ 3.37Å; F485-H489 HydrophobicContact CB-CB 3.7Å; F485-H489 HydrophobicContact CD1-CB 3.85Å; F485-H489 HydrophobicContact CG-CB 3.9Å; F485-L490 HydrophobicContact CB-CD2 4.06Å; F485-L490 HydrophobicContact CB-CG 4.1Å; F485-L490 HydrophobicContact CD2-CD2 3.81Å; F485-L490 HydrophobicContact CG-CD2 4.39Å; F485-N493 WeakPolarHBondContact CE2-ND2 3.45Å; F485-D529 HydrophobicContact CD1-CB 3.59Å; F485-D529 HydrophobicContact CE1-CB 3.75Å; F485-D529 WeakPolarHBondContact CE1-OD2 3.27Å; F485-I538 HydrophobicContact CE1-CD1 4.34Å
486T98.7Very high97.4Very high13 Ų1336.9 Ų36.98%0.0818%0.183CC..  trans-77.1171.3163.164.20000111G484 L488 H489 L490 A527G484-T486 PolarHBondContact O-N 3.21Å; T486-L488 PolarHBondContact O-N 3.2Å; T486-L488 PolarHBondContact OG1-N 3.08Å; T486-H489 PolarHBondContact N-ND1 2.9Å; T486-H489 WeakPolarHBondContact O-CB 3.49Å; T486-H489 PolarHBondContact O-N 3.34Å; T486-H489 VanDerWaalsContact O-N 3.14Å; T486-H489 PolarHBondContact OG1-N 3.49Å; T486-H489 PolarHBondContact OG1-ND1 3.23Å; T486-L490 WeakPolarHBondContact O-CG 3.27Å; T486-L490 PolarHBondContact O-N 3.37Å; T486-A527 HydrophobicContact CG2-CB 3.95Å
487L98.7Very high97.4Very high6 Ų634.5 Ų34.53%0.03118%0.177CC..Hα-helixtrans-53.1-36.2167.1-62.7178.9000112.5F447 L448 L474 I475 P479 L490 A491 L518F447-L487 HydrophobicContact CD1-CD1 4.26Å; F447-L487 HydrophobicContact CD1-CD2 4.43Å; F447-L487 HydrophobicContact CE1-CD1 4.14Å; L448-L487 HydrophobicContact CD1-CD2 4.39Å; L448-L487 HydrophobicContact CD2-CB 4.26Å; L448-L487 HydrophobicContact CD2-CD2 4.16Å; L448-L487 HydrophobicContact CG-CD2 4.09Å; L474-L487 HydrophobicContact CD2-CD1 3.81Å; L474-L487 HydrophobicContact CG-CD1 4.08Å; I475-L487 HydrophobicContact CG1-CD1 4.17Å; P479-L487 HydrophobicContact CG-CD1 4.48Å; P479-L487 HydrophobicContact CG-CG 4.3Å; L487-L490 PolarHBondContact O-N 2.98Å; L487-A491 WeakPolarHBondContact O-CB 3.34Å; L487-A491 PolarHBondContact O-N 3.24Å; L487-L518 HydrophobicContact CB-CD1 4.06Å; L487-L518 HydrophobicContact CB-CD2 4.16Å; L487-L518 HydrophobicContact CD1-CD2 4.32Å; L487-L518 WeakPolarHBondContact O-CD1 3.42Å
488L98.8Very high97.2Very high2 Ų233.5 Ų33.51%0.0117%0.173CC..Hα-helixtrans-68.7-41.7178.4-173.164.9000111.9T486 L490 A491 V492 T515 L518 L519 A523 A535 L559T486-L488 PolarHBondContact O-N 3.2Å; T486-L488 PolarHBondContact OG1-N 3.08Å; L488-L490 VanDerWaalsContact C-N 3.34Å; L488-L490 PolarHBondContact O-N 3.46Å; L488-A491 PolarHBondContact O-N 3.11Å; L488-V492 WeakPolarHBondContact O-CG2 3.43Å; L488-V492 PolarHBondContact O-N 2.85Å; L488-T515 HydrophobicContact CD1-CG2 3.84Å; L488-L518 HydrophobicContact CD1-CB 4.4Å; L488-L519 HydrophobicContact CD1-CD2 4.07Å; L488-L519 HydrophobicContact CD1-CG 4.08Å; L488-L519 HydrophobicContact CD2-CD2 3.79Å; L488-A523 HydrophobicContact CB-CB 4.31Å; L488-A523 HydrophobicContact CD2-CB 4.45Å; L488-A535 HydrophobicContact CD2-CB 3.94Å; L488-A535 HydrophobicContact CG-CB 3.84Å; L488-L559 HydrophobicContact CD1-CD2 4.3Å; L488-L559 HydrophobicContact CD2-CD2 4.07Å; L488-L559 HydrophobicContact CG-CD2 4.42Å
489H98.8Very high97.1Very high1 Ų131.7 Ų31.71%0.00516%0.163CC..Hα-helixtrans-59.1-47.3173-70.987.1000111F485 T486 A491 V492 N493 A527 N533 A535F485-H489 HydrophobicContact CB-CB 3.7Å; F485-H489 HydrophobicContact CD1-CB 3.85Å; F485-H489 HydrophobicContact CG-CB 3.9Å; T486-H489 PolarHBondContact N-ND1 2.9Å; T486-H489 WeakPolarHBondContact O-CB 3.49Å; T486-H489 PolarHBondContact O-N 3.34Å; T486-H489 VanDerWaalsContact O-N 3.14Å; T486-H489 PolarHBondContact OG1-N 3.49Å; T486-H489 PolarHBondContact OG1-ND1 3.23Å; H489-A491 PolarHBondContact O-N 2.94Å; H489-V492 WeakPolarHBondContact O-CG2 3.08Å; H489-V492 PolarHBondContact O-N 2.96Å; H489-N493 WeakPolarHBondContact O-CB 3.39Å; H489-N493 PolarHBondContact O-N 3.26Å; H489-A527 PolarHBondContact CE1-O 3.02Å; H489-A527 PolarHBondContact NE2-O 2.95Å; H489-N533 PolarHBondContact NE2-O 3.1Å; H489-A535 PolarHBondContact NE2-N 3.41Å
490L98.7Very high96.6Very high3 Ų338 Ų382%0.01620%0.197CC..Hα-helixtrans-62.6-42179.2-67.3176.9000112L444 Y445 L448 T481 F485 T486 L487 L488 V492 N493 T496L444-L490 HydrophobicContact CB-CD1 4.42Å; Y445-L490 HydrophobicContact CD1-CD1 4.22Å; Y445-L490 HydrophobicContact CE1-CD1 4.07Å; Y445-L490 HydrophobicContact CE1-CD2 3.93Å; L448-L490 HydrophobicContact CD1-CB 3.34Å; L448-L490 HydrophobicContact CD1-CD1 3.78Å; L448-L490 HydrophobicContact CD1-CG 4.21Å; T481-L490 HydrophobicContact CG2-CD1 3.98Å; T481-L490 HydrophobicContact CG2-CD2 4.18Å; T481-L490 HydrophobicContact CG2-CG 4.41Å; F485-L490 HydrophobicContact CB-CD2 4.06Å; F485-L490 HydrophobicContact CB-CG 4.1Å; F485-L490 HydrophobicContact CD2-CD2 3.81Å; F485-L490 HydrophobicContact CG-CD2 4.39Å; T486-L490 WeakPolarHBondContact O-CG 3.27Å; T486-L490 PolarHBondContact O-N 3.37Å; L487-L490 PolarHBondContact O-N 2.98Å; L488-L490 VanDerWaalsContact C-N 3.34Å; L488-L490 PolarHBondContact O-N 3.46Å; L490-V492 PolarHBondContact O-N 3.2Å; L490-N493 PolarHBondContact O-N 2.98Å; L490-T496 WeakPolarHBondContact CA-OG1 3.35Å; L490-T496 HydrophobicContact CB-CG2 4.26Å; L490-T496 HydrophobicContact CD2-CG2 4.37Å; L490-T496 WeakPolarHBondContact O-CB 3.44Å; L490-T496 PolarHBondContact O-OG1 3.43Å
491A98.7Very high96.2Very high0 Ų040.9 Ų40.90%021%0.212CC..Hα-helixtrans-62.9-26.6179.400000113.9L487 L488 H489 P510 N511 V514 L518L487-A491 WeakPolarHBondContact O-CB 3.34Å; L487-A491 PolarHBondContact O-N 3.24Å; L488-A491 PolarHBondContact O-N 3.11Å; H489-A491 PolarHBondContact O-N 2.94Å; A491-P510 CarbonylContact O-C 3.57Å; A491-P510 VanDerWaalsContact O-CA 3.28Å; A491-P510 WeakPolarHBondContact O-CA 3.4Å; A491-N511 PolarHBondContact O-N 3.33Å; A491-V514 HydrophobicContact CB-CG1 3.91Å; A491-L518 HydrophobicContact CB-CD1 3.62Å
492V98.3Very high95.7Very high1 Ų142.8 Ų42.81%0.00622%0.22CC..Hα-helixtrans-103.6-0.9179.2-53.40000113.7L488 H489 L490 T515 A535 I538 I539 I555L488-V492 WeakPolarHBondContact O-CG2 3.43Å; L488-V492 PolarHBondContact O-N 2.85Å; H489-V492 WeakPolarHBondContact O-CG2 3.08Å; H489-V492 PolarHBondContact O-N 2.96Å; L490-V492 PolarHBondContact O-N 3.2Å; V492-T515 HydrophobicContact CG1-CG2 3.78Å; V492-T515 WeakPolarHBondContact CG1-OG1 3.13Å; V492-A535 HydrophobicContact CG2-CB 3.96Å; V492-A535 WeakPolarHBondContact CG2-O 3.45Å; V492-I538 HydrophobicContact CG2-CB 4.08Å; V492-I538 HydrophobicContact CG2-CG2 4.12Å; V492-I539 HydrophobicContact CB-CB 4.09Å; V492-I539 HydrophobicContact CB-CD1 4.19Å; V492-I539 HydrophobicContact CG2-CB 4.38Å; V492-I539 WeakPolarHBondContact O-CD1 3.44Å; V492-I555 HydrophobicContact CB-CG2 4.27Å; V492-I555 HydrophobicContact CG1-CG2 3.64Å
493N97.4Very high95.6Very high16 Ų1638.4 Ų38.49%0.08620%0.203CC..  trans-95120.1-178.7-169.8-12000110.5F485 H489 L490 N495 T496 F509 I538F485-N493 WeakPolarHBondContact CE2-ND2 3.45Å; H489-N493 WeakPolarHBondContact O-CB 3.39Å; H489-N493 PolarHBondContact O-N 3.26Å; L490-N493 PolarHBondContact O-N 2.98Å; N493-N495 PolarHBondContact O-N 3.12Å; N493-N495 WeakPolarHBondContact OD1-CB 3.44Å; N493-N495 PolarHBondContact OD1-N 3.05Å; N493-T496 WeakPolarHBondContact O-CB 3.33Å; N493-T496 PolarHBondContact O-N 3.25Å; N493-T496 VanDerWaalsContact O-N 3.16Å; N493-T496 PolarHBondContact O-OG1 3.44Å; N493-F509 WeakPolarHBondContact O-CB 3.27Å; N493-I538 HydrophobicContact CB-CG2 3.69Å
494S94.3Very high95.3Very high40 Ų4036 Ų3628%0.2819%0.194SC..THydrogen-bonded Turntrans-67.4-14175.557.90000114.4
495N94.5Very high94.8Very high127 Ų12740.1 Ų40.168%0.67922%0.215SC*.THydrogen-bonded Turntrans-92.1-1.9177.2-57-31.4000112.5N493 P497N493-N495 PolarHBondContact O-N 3.12Å; N493-N495 WeakPolarHBondContact OD1-CB 3.44Å; N493-N495 PolarHBondContact OD1-N 3.05Å; N495-P497 WeakPolarHBondContact O-CD 3.23Å
496T96.6Very high94.5Very high9 Ų939.6 Ų39.66%0.05521%0.213CC..SBendtrans-58.8122.5173.3-64.10000108.9Y445 L490 N493 F509Y445-T496 HydrophobicContact CD1-CG2 4.23Å; L490-T496 WeakPolarHBondContact CA-OG1 3.35Å; L490-T496 HydrophobicContact CB-CG2 4.26Å; L490-T496 HydrophobicContact CD2-CG2 4.37Å; L490-T496 WeakPolarHBondContact O-CB 3.44Å; L490-T496 PolarHBondContact O-OG1 3.43Å; N493-T496 WeakPolarHBondContact O-CB 3.33Å; N493-T496 PolarHBondContact O-N 3.25Å; N493-T496 VanDerWaalsContact O-N 3.16Å; N493-T496 PolarHBondContact O-OG1 3.44Å; T496-F509 HydrophobicContact CG2-CD2 3.65Å; T496-F509 HydrophobicContact CG2-CE2 4.02Å; T496-F509 HydrophobicContact CG2-CG 4.14Å
497P95.7Very high94.3Very high62 Ų6239.1 Ų39.140%0.40321%0.21SC..  trans-58148.3-179.4-24.534.4000111.4Y445 Y449 N495Y445-P497 HydrophobicContact CD2-CG 4.38Å; Y445-P497 HydrophobicContact CE2-CG 4.05Å; Y449-P497 WeakPolarHBondContact CE1-O 3.38Å; Y449-P497 PolarHBondContact OH-O 2.89Å; N495-P497 WeakPolarHBondContact O-CD 3.23Å
498V95.1Very high94.1Very high36 Ų3642.2 Ų42.222%0.21823%0.233CC..  trans-129.2135.1168.5-174.60000107.4Y449 T503 N504 C507 F509Y449-V498 HydrophobicContact CE1-CB 4.5Å; Y449-V498 HydrophobicContact CE1-CG1 4.39Å; Y449-V498 HydrophobicContact CE1-CG2 4.46Å; Y449-V498 VanDerWaalsContact OH-CA 3.29Å; Y449-V498 WeakPolarHBondContact OH-CA 3.35Å; V498-T503 HydrophobicContact CG1-CG2 4.17Å; V498-N504 HydrophobicContact CG1-CB 3.98Å; V498-C507 HydrophobicContact CG1-CB 4.04Å; V498-C507 WeakPolarHBondContact CG1-O 3.31Å; V498-F509 HydrophobicContact CG2-CD2 3.79Å; V498-F509 HydrophobicContact CG2-CE2 4.11Å
499D93.6Very high94Very high40 Ų4043 Ų4321%0.21424%0.236CC..  trans-65.8136.4177.5176.473.5000111.3L386 Q390 Y449 F501 T503 N504L386-D499 HydrophobicContact CD1-CB 4Å; Q390-D499 PolarHBondContact NE2-OD2 3.39Å; Y449-D499 HydrophobicContact CE2-CB 4.03Å; Y449-D499 PolarHBondContact OH-N 3.28Å; D499-F501 VanDerWaalsContact C-N 3.31Å; D499-F501 PolarHBondContact O-N 3.32Å; D499-F501 PolarHBondContact OD2-N 2.88Å; D499-T503 HydrophobicContact CB-CG2 4.37Å; D499-T503 WeakPolarHBondContact O-CB 3.34Å; D499-T503 PolarHBondContact OD2-OG1 3.43Å; D499-N504 WeakPolarHBondContact O-CB 3.34Å; D499-N504 PolarHBondContact O-N 2.95Å; D499-N504 VanDerWaalsContact O-N 3.1Å
500D88.4Confident94Very high136 Ų13643.1 Ų43.173%0.72724%0.237SC*.THydrogen-bonded Turntrans-79.3-12.9-172-73.1-34.1000113.7N504D500-N504 PolarHBondContact O-ND2 3.28Å; D500-N504 PolarHBondContact O-OD1 3.45Å
501F88.1Confident93.9Very high122 Ų12243.9 Ų43.954%0.53524%0.241SC..THydrogen-bonded Turntrans-99.999.2-173.6-171.7-107.2000110.8Q390 D499 T503Q390-F501 HydrophobicContact CB-CD1 4.48Å; Q390-F501 HydrophobicContact CG-CD1 4.36Å; Q390-F501 WeakPolarHBondContact CG-O 3.37Å; D499-F501 VanDerWaalsContact C-N 3.31Å; D499-F501 PolarHBondContact O-N 3.32Å; D499-F501 PolarHBondContact OD2-N 2.88Å; F501-T503 PolarHBondContact O-N 2.96Å; F501-T503 PolarHBondContact O-OG1 3.27Å
502H86.9Confident93.8Very high49 Ų4944.9 Ų44.923%0.22725%0.249CC..THydrogen-bonded Turntrans62.9-31-174.6-57.7-56.4000115.8S393 Q394 N504 D505S393-H502 WeakPolarHBondContact CB-O 3.44Å; Q394-H502 HydrophobicContact CB-CB 4.26Å; H502-N504 PolarHBondContact O-N 3.44Å; H502-D505 WeakPolarHBondContact O-CB 3.42Å; H502-D505 PolarHBondContact O-N 3.49Å
503T92.5Very high93.8Very high0 Ų050 Ų500%028%0.276CS..G310 helixtrans-66.5-40-173.1-49.90000111.9Y449 V498 D499 F501 D505 V506 C507Y449-T503 HydrophobicContact CD1-CG2 4.3Å; Y449-T503 HydrophobicContact CD2-CG2 3.67Å; Y449-T503 HydrophobicContact CE2-CG2 4.19Å; Y449-T503 HydrophobicContact CG-CG2 3.75Å; V498-T503 HydrophobicContact CG1-CG2 4.17Å; D499-T503 HydrophobicContact CB-CG2 4.37Å; D499-T503 WeakPolarHBondContact O-CB 3.34Å; D499-T503 PolarHBondContact OD2-OG1 3.43Å; F501-T503 PolarHBondContact O-N 2.96Å; F501-T503 PolarHBondContact O-OG1 3.27Å; T503-D505 VanDerWaalsContact C-N 3.27Å; T503-D505 PolarHBondContact O-N 3.27Å; T503-V506 PolarHBondContact O-N 3.13Å; T503-V506 VanDerWaalsContact O-N 3.1Å; T503-C507 HydrophobicContact CG2-CB 4.02Å; T503-C507 WeakPolarHBondContact O-CB 3.47Å; T503-C507 PolarHBondContact O-N 3.13Å
504N91.2Very high93.9Very high70 Ų7049.2 Ų49.237%0.37427%0.272SS..G310 helixtrans-67.4-17.9178.262.4-5.5000115.1V498 D499 D500 H502 V506V498-N504 HydrophobicContact CG1-CB 3.98Å; D499-N504 WeakPolarHBondContact O-CB 3.34Å; D499-N504 PolarHBondContact O-N 2.95Å; D499-N504 VanDerWaalsContact O-N 3.1Å; D500-N504 PolarHBondContact O-ND2 3.28Å; D500-N504 PolarHBondContact O-OD1 3.45Å; H502-N504 PolarHBondContact O-N 3.44Å; N504-V506 PolarHBondContact O-N 2.93Å
505D86.9Confident94.1Very high92 Ų9247.3 Ų47.349%0.49226%0.259SS..G310 helixtrans-70.3-24.2171.9-63.6-42.5000111.6H502 T503H502-D505 WeakPolarHBondContact O-CB 3.42Å; H502-D505 PolarHBondContact O-N 3.49Å; T503-D505 VanDerWaalsContact C-N 3.27Å; T503-D505 PolarHBondContact O-N 3.27Å
506V92Very high94.3Very high6 Ų645.1 Ų45.14%0.03624%0.243CC..THydrogen-bonded Turntrans-117.5-33.9-172.6-178.40000112.2S393 I396 I453 K456 T503 N504S393-V506 WeakPolarHBondContact O-CG2 3.42Å; I396-V506 HydrophobicContact CB-CG2 4.17Å; I396-V506 HydrophobicContact CD1-CG1 3.98Å; I396-V506 HydrophobicContact CG2-CG1 4.25Å; I396-V506 HydrophobicContact CG2-CG2 4.01Å; I453-V506 HydrophobicContact CG1-CG1 4.24Å; K456-V506 HydrophobicContact CD-CG1 3.64Å; K456-V506 WeakPolarHBondContact CE-O 3.46Å; K456-V506 PolarHBondContact NZ-O 2.88Å; T503-V506 PolarHBondContact O-N 3.13Å; T503-V506 VanDerWaalsContact O-N 3.1Å; N504-V506 PolarHBondContact O-N 2.93Å
507C95.7Very high94.4Very high3 Ų345.6 Ų45.62%0.0225%0.245CC..  trans-108.1133.8-175.6-58.30000110.4Y449 C452 V498 T503Y449-C507 HydrophobicContact CD1-CB 4.37Å; C452-C507 HydrophobicContact CB-CB 4.46Å; V498-C507 HydrophobicContact CG1-CB 4.04Å; V498-C507 WeakPolarHBondContact CG1-O 3.31Å; T503-C507 HydrophobicContact CG2-CB 4.02Å; T503-C507 WeakPolarHBondContact O-CB 3.47Å; T503-C507 PolarHBondContact O-N 3.13Å
508S94.8Very high94.5Very high72 Ų7242.6 Ų42.650%0.50323%0.226SC..  trans-149.2149.5172.7600000109.5N511S508-N511 WeakPolarHBondContact O-CB 3.49Å; S508-N511 PolarHBondContact O-ND2 3.16Å
509F96.2Very high94.7Very high18 Ų1841.8 Ų41.88%0.07922%0.22CC..SBendtrans-127144.3174.7-60-73.7000110.1L448 Y449 N493 T496 V498 N511L448-F509 HydrophobicContact CB-CE1 4.33Å; L448-F509 HydrophobicContact CB-CZ 3.76Å; Y449-F509 AromaticContact CD1-CE2 4Å; Y449-F509 HydrophobicContact CD1-CE2 4Å; Y449-F509 HydrophobicContact CD1-CZ 4.37Å; Y449-F509 AromaticContact CE1-CE2 3.98Å; Y449-F509 HydrophobicContact CE1-CE2 3.98Å; N493-F509 WeakPolarHBondContact O-CB 3.27Å; T496-F509 HydrophobicContact CG2-CD2 3.65Å; T496-F509 HydrophobicContact CG2-CE2 4.02Å; T496-F509 HydrophobicContact CG2-CG 4.14Å; V498-F509 HydrophobicContact CG2-CD2 3.79Å; V498-F509 HydrophobicContact CG2-CE2 4.11Å; F509-N511 HydrophobicContact CD1-CB 3.91Å; F509-N511 HydrophobicContact CE1-CB 4.19Å
510P97.5Very high94.9Very high4 Ų444.7 Ų44.73%0.02624%0.235CC..SBendcis-68151.91.332.5-38.7000112.9A491 I539 Y542 T551 I555A491-P510 CarbonylContact O-C 3.57Å; A491-P510 VanDerWaalsContact O-CA 3.28Å; A491-P510 WeakPolarHBondContact O-CA 3.4Å; P510-I539 HydrophobicContact CB-CD1 3.61Å; P510-I539 HydrophobicContact CG-CD1 3.86Å; P510-Y542 VanDerWaalsContact CD-CE2 3.49Å; P510-Y542 HydrophobicContact CG-CD1 4.22Å; P510-Y542 HydrophobicContact CG-CD2 4.07Å; P510-Y542 HydrophobicContact CG-CE1 4.08Å; P510-Y542 HydrophobicContact CG-CE2 3.92Å; P510-Y542 HydrophobicContact CG-CG 4.21Å; P510-T551 HydrophobicContact CG-CG2 4.31Å; P510-I555 HydrophobicContact CB-CD1 3.65Å; P510-I555 HydrophobicContact CG-CD1 4.41Å
511N97.3Very high95.4Very high18 Ų1838.6 Ų38.610%0.09620%0.204CC..  trans-130.3112.9-175.2-167.4-57.6000111.7C452 A491 S508 F509 L513 V514 T515C452-N511 PolarHBondContact SG-ND2 3.47Å; A491-N511 PolarHBondContact O-N 3.33Å; S508-N511 WeakPolarHBondContact O-CB 3.49Å; S508-N511 PolarHBondContact O-ND2 3.16Å; F509-N511 HydrophobicContact CD1-CB 3.91Å; F509-N511 HydrophobicContact CE1-CB 4.19Å; N511-L513 PolarHBondContact OD1-N 3.01Å; N511-V514 HydrophobicContact CB-CB 3.95Å; N511-V514 HydrophobicContact CB-CG2 4.04Å; N511-V514 WeakPolarHBondContact OD1-CG2 3.22Å; N511-V514 PolarHBondContact OD1-N 3.07Å; N511-T515 VanDerWaalsContact O-CB 3.27Å; N511-T515 WeakPolarHBondContact O-CB 3.14Å; N511-T515 PolarHBondContact O-N 3.38Å; N511-T515 PolarHBondContact O-OG1 3.37Å
512A97.8Very high95.9Very high21 Ų2134.9 Ų34.917%0.17420%0.199CC..Hα-helixtrans-65.3-41.3-175.400000113.4T515 K516 T551 I555A512-T515 PolarHBondContact O-N 3.42Å; A512-K516 WeakPolarHBondContact O-CB 3.41Å; A512-K516 PolarHBondContact O-N 2.85Å; A512-T551 HydrophobicContact CB-CG2 4.31Å; A512-I555 HydrophobicContact CB-CD1 4.48Å; A512-I555 HydrophobicContact CB-CG1 3.92Å
513L98.1Very high96.4Very high109 Ų10933.2 Ų33.257%0.57119%0.194SC*.Hα-helixtrans-69.8-44.3-179-65.6178.6000111.4T455 N511 T515 K516 L517T455-L513 HydrophobicContact CG2-CB 4.05Å; N511-L513 PolarHBondContact OD1-N 3.01Å; L513-T515 VanDerWaalsContact C-N 3.33Å; L513-T515 PolarHBondContact O-N 3.09Å; L513-K516 PolarHBondContact O-N 3.07Å; L513-L517 VanDerWaalsContact O-CB 3.29Å; L513-L517 WeakPolarHBondContact O-CB 3.48Å; L513-L517 PolarHBondContact O-N 2.95Å
514V98.6Very high96.7Very high0 Ų039.7 Ų39.70%022%0.224CC..Hα-helixtrans-61.9-44.2174.7174.70000110.3L448 V451 C452 T455 A491 N511 K516 L517 L518L448-V514 HydrophobicContact CD2-CG1 4.18Å; V451-V514 HydrophobicContact CG1-CG1 3.93Å; V451-V514 HydrophobicContact CG1-CG2 4.31Å; C452-V514 HydrophobicContact CB-CG2 3.81Å; T455-V514 HydrophobicContact CG2-CG2 4.34Å; A491-V514 HydrophobicContact CB-CG1 3.91Å; N511-V514 HydrophobicContact CB-CB 3.95Å; N511-V514 HydrophobicContact CB-CG2 4.04Å; N511-V514 WeakPolarHBondContact OD1-CG2 3.22Å; N511-V514 PolarHBondContact OD1-N 3.07Å; V514-K516 PolarHBondContact O-N 3.46Å; V514-L517 PolarHBondContact O-N 3.46Å; V514-L518 HydrophobicContact CG1-CD1 4.01Å; V514-L518 HydrophobicContact CG1-CG 4.25Å; V514-L518 WeakPolarHBondContact O-CB 3.16Å; V514-L518 VanDerWaalsContact O-CG 3.28Å; V514-L518 WeakPolarHBondContact O-CG 3.29Å; V514-L518 PolarHBondContact O-N 3.3Å
515T98.8Very high96.9Very high0 Ų037 Ų370%021%0.21CC..Hα-helixtrans-57.5-49.9177.2-61.30000111.2L488 V492 N511 A512 L513 L517 L518 L519 I555 L559L488-T515 HydrophobicContact CD1-CG2 3.84Å; V492-T515 HydrophobicContact CG1-CG2 3.78Å; V492-T515 WeakPolarHBondContact CG1-OG1 3.13Å; N511-T515 VanDerWaalsContact O-CB 3.27Å; N511-T515 WeakPolarHBondContact O-CB 3.14Å; N511-T515 PolarHBondContact O-N 3.38Å; N511-T515 PolarHBondContact O-OG1 3.37Å; A512-T515 PolarHBondContact O-N 3.42Å; L513-T515 VanDerWaalsContact C-N 3.33Å; L513-T515 PolarHBondContact O-N 3.09Å; T515-L517 VanDerWaalsContact C-N 3.35Å; T515-L517 PolarHBondContact O-N 3.48Å; T515-L518 PolarHBondContact O-N 2.99Å; T515-L519 HydrophobicContact CG2-CD1 4.18Å; T515-L519 WeakPolarHBondContact O-CG 3.27Å; T515-L519 PolarHBondContact O-N 3.02Å; T515-L519 VanDerWaalsContact O-N 3.09Å; T515-I555 HydrophobicContact CG2-CG1 4.44Å; T515-I555 HydrophobicContact CG2-CG2 4.19Å; T515-L559 HydrophobicContact CG2-CD2 4.42Å
516K98.7Very high97.3Very high81 Ų8134.2 Ų34.235%0.35220%0.195SC..Hα-helixtrans-60.8-45.1178.5-179.653.9176.1156.40111.4A512 L513 V514 L518 L519 D520A512-K516 WeakPolarHBondContact O-CB 3.41Å; A512-K516 PolarHBondContact O-N 2.85Å; L513-K516 PolarHBondContact O-N 3.07Å; V514-K516 PolarHBondContact O-N 3.46Å; K516-L518 PolarHBondContact O-N 3Å; K516-L519 WeakPolarHBondContact O-CB 3.48Å; K516-L519 PolarHBondContact O-N 3.46Å; K516-D520 VanDerWaalsContact CE-OD1 3.31Å; K516-D520 WeakPolarHBondContact CE-OD1 3.37Å; K516-D520 WeakPolarHBondContact CE-OD2 3.37Å; K516-D520 IonicContact NZ-OD1 3.59Å; K516-D520 PolarHBondContact NZ-OD1 2.66Å; K516-D520 IonicContact NZ-OD2 2.95Å; K516-D520 VanDerWaalsContact O-CG 3.22Å; K516-D520 PolarHBondContact O-N 3.48Å
517L98.5Very high97.5Very high18 Ų1834.2 Ų34.29%0.09420%0.196CC..Hα-helixtrans-62.8-41.2179.1-177.557000112.7V451 T455 N468 I471 L513 V514 T515 D520 C521V451-L517 HydrophobicContact CG1-CD2 3.88Å; T455-L517 HydrophobicContact CG2-CD2 3.85Å; N468-L517 WeakPolarHBondContact OD1-CD1 3.48Å; I471-L517 HydrophobicContact CD1-CD2 3.63Å; I471-L517 HydrophobicContact CD1-CG 3.95Å; L513-L517 VanDerWaalsContact O-CB 3.29Å; L513-L517 WeakPolarHBondContact O-CB 3.48Å; L513-L517 PolarHBondContact O-N 2.95Å; V514-L517 PolarHBondContact O-N 3.46Å; T515-L517 VanDerWaalsContact C-N 3.35Å; T515-L517 PolarHBondContact O-N 3.48Å; L517-D520 PolarHBondContact O-N 2.98Å; L517-C521 WeakPolarHBondContact O-CB 3.32Å; L517-C521 PolarHBondContact O-N 3.18Å; L517-C521 PolarHBondContact O-SG 2.91Å
518L98.9Very high97.6Very high0 Ų036.9 Ų36.90%021%0.212CC..Hα-helixtrans-62-43.5175.1-71174.2000111.3L448 I471 I475 L487 L488 A491 V514 T515 K516 C521 G522 A523L448-L518 HydrophobicContact CD2-CD1 4.16Å; I471-L518 HydrophobicContact CG2-CD2 3.79Å; I475-L518 HydrophobicContact CD1-CD2 3.98Å; I475-L518 WeakPolarHBondContact CD1-O 3.48Å; I475-L518 HydrophobicContact CG1-CD2 4.38Å; L487-L518 HydrophobicContact CB-CD1 4.06Å; L487-L518 HydrophobicContact CB-CD2 4.16Å; L487-L518 HydrophobicContact CD1-CD2 4.32Å; L487-L518 WeakPolarHBondContact O-CD1 3.42Å; L488-L518 HydrophobicContact CD1-CB 4.4Å; A491-L518 HydrophobicContact CB-CD1 3.62Å; V514-L518 HydrophobicContact CG1-CD1 4.01Å; V514-L518 HydrophobicContact CG1-CG 4.25Å; V514-L518 WeakPolarHBondContact O-CB 3.16Å; V514-L518 VanDerWaalsContact O-CG 3.28Å; V514-L518 WeakPolarHBondContact O-CG 3.29Å; V514-L518 PolarHBondContact O-N 3.3Å; T515-L518 PolarHBondContact O-N 2.99Å; K516-L518 PolarHBondContact O-N 3Å; L518-C521 CarbonylContact O-C 3.55Å; L518-C521 PolarHBondContact O-N 3.24Å; L518-G522 PolarHBondContact O-N 3.41Å; L518-A523 HydrophobicContact CB-CB 4.06Å; L518-A523 WeakPolarHBondContact O-CB 3.48Å; L518-A523 PolarHBondContact O-N 3.15Å
519L98.8Very high97.7Very high19 Ų1934.1 Ų34.110%0.09919%0.192CC..Hα-helixtrans-62.8-45.1175.9-67167.6000111.6L488 T515 K516 C521 G522 V525 L559 A562L488-L519 HydrophobicContact CD1-CD2 4.07Å; L488-L519 HydrophobicContact CD1-CG 4.08Å; L488-L519 HydrophobicContact CD2-CD2 3.79Å; T515-L519 HydrophobicContact CG2-CD1 4.18Å; T515-L519 WeakPolarHBondContact O-CG 3.27Å; T515-L519 PolarHBondContact O-N 3.02Å; T515-L519 VanDerWaalsContact O-N 3.09Å; K516-L519 WeakPolarHBondContact O-CB 3.48Å; K516-L519 PolarHBondContact O-N 3.46Å; L519-C521 PolarHBondContact O-N 3.2Å; L519-G522 PolarHBondContact O-N 3.26Å; L519-V525 HydrophobicContact CD2-CB 3.93Å; L519-V525 HydrophobicContact CD2-CG2 3.93Å; L519-L559 HydrophobicContact CD1-CD2 4.25Å; L519-L559 HydrophobicContact CD2-CD2 4.42Å; L519-A562 HydrophobicContact CB-CB 4.46Å; L519-A562 HydrophobicContact CD1-CB 3.99Å; L519-A562 HydrophobicContact CD2-CB 3.85Å; L519-A562 HydrophobicContact CG-CB 4.32Å
520D98.3Very high97.8Very high100 Ų10037.3 Ų37.354%0.53521%0.21SC..Hα-helixtrans-65.1-27.3177.9-66-18.6000111.8K516 L517 G522K516-D520 VanDerWaalsContact CE-OD1 3.31Å; K516-D520 WeakPolarHBondContact CE-OD1 3.37Å; K516-D520 WeakPolarHBondContact CE-OD2 3.37Å; K516-D520 IonicContact NZ-OD1 3.59Å; K516-D520 PolarHBondContact NZ-OD1 2.66Å; K516-D520 IonicContact NZ-OD2 2.95Å; K516-D520 VanDerWaalsContact O-CG 3.22Å; K516-D520 PolarHBondContact O-N 3.48Å; L517-D520 PolarHBondContact O-N 2.98Å; D520-G522 VanDerWaalsContact C-N 3.3Å
521C98.5Very high97.8Very high9 Ų941.9 Ų41.96%0.06123%0.231CC..THydrogen-bonded Turntrans-8710.5172.1-63.20000113.8I471 Y472 I475 L517 L518 L519I471-C521 HydrophobicContact CB-CB 4.27Å; I471-C521 HydrophobicContact CG2-CB 3.74Å; Y472-C521 WeakPolarHBondContact CD2-O 3.41Å; I475-C521 HydrophobicContact CD1-CB 3.75Å; L517-C521 WeakPolarHBondContact O-CB 3.32Å; L517-C521 PolarHBondContact O-N 3.18Å; L517-C521 PolarHBondContact O-SG 2.91Å; L518-C521 CarbonylContact O-C 3.55Å; L518-C521 PolarHBondContact O-N 3.24Å; L519-C521 PolarHBondContact O-N 3.2Å
522G97.8Very high97.7Very high43 Ų4341.4 Ų41.444%0.44323%0.23SC..THydrogen-bonded Turntrans92.317.3170.800000116L518 L519 D520 E524L518-G522 PolarHBondContact O-N 3.41Å; L519-G522 PolarHBondContact O-N 3.26Å; D520-G522 VanDerWaalsContact C-N 3.3Å; G522-E524 PolarHBondContact O-N 3.12Å
523A98.5Very high97.7Very high14 Ų1441 Ų4112%0.11623%0.225CC..  trans-59.8130.9173.300000111I475 L488 L518 V525I475-A523 HydrophobicContact CD1-CB 4.05Å; I475-A523 HydrophobicContact CG2-CB 4.4Å; L488-A523 HydrophobicContact CB-CB 4.31Å; L488-A523 HydrophobicContact CD2-CB 4.45Å; L518-A523 HydrophobicContact CB-CB 4.06Å; L518-A523 WeakPolarHBondContact O-CB 3.48Å; L518-A523 PolarHBondContact O-N 3.15Å; A523-V525 PolarHBondContact O-N 2.9Å
524E97.2Very high97.7Very high137 Ų13735.9 Ų35.964%0.6420%0.198SC*.  trans-69.9107.3179-176.5166.3-143.800110.8G522 N526 A527G522-E524 PolarHBondContact O-N 3.12Å; E524-N526 PolarHBondContact O-N 3.46Å; E524-A527 HydrophobicContact CB-CB 4.08Å; E524-A527 HydrophobicContact CG-CB 4.13Å; E524-A527 WeakPolarHBondContact O-CB 3.49Å; E524-A527 PolarHBondContact O-N 2.66Å
525V97.2Very high97.6Very high13 Ų1335.9 Ų35.98%0.07920%0.198CC..THydrogen-bonded Turntrans-60.9-29.1-173.872.30000113.7L519 A523 L559 A562 A564L519-V525 HydrophobicContact CD2-CB 3.93Å; L519-V525 HydrophobicContact CD2-CG2 3.93Å; A523-V525 PolarHBondContact O-N 2.9Å; V525-L559 HydrophobicContact CG2-CB 4.31Å; V525-L559 HydrophobicContact CG2-CD2 3.78Å; V525-L559 WeakPolarHBondContact CG2-O 3.37Å; V525-A562 HydrophobicContact CB-CB 4.28Å; V525-A562 WeakPolarHBondContact CG1-O 3.16Å; V525-A562 HydrophobicContact CG2-CB 4.04Å; V525-A564 HydrophobicContact CG2-CB 3.75Å
526N94.9Very high97.6Very high33 Ų3335.9 Ų35.918%0.17620%0.198CC..THydrogen-bonded Turntrans-105.38.6-175.9-71.1-48.2000112.9E524 G563 A564 H565 M568E524-N526 PolarHBondContact O-N 3.46Å; N526-G563 PolarHBondContact ND2-O 2.95Å; N526-A564 WeakPolarHBondContact OD1-CA 3.29Å; N526-H565 VanDerWaalsContact CG-CD2 3.48Å; N526-H565 PolarHBondContact ND2-CD2 3.27Å; N526-H565 PolarHBondContact OD1-N 3.23Å; N526-M568 HydrophobicContact CB-CE 3.72Å
527A96.4Very high97.5Very high7 Ų732 Ų326%0.05818%0.181CC..  trans-58.6147.2170.400000109.4T486 H489 E524 S534T486-A527 HydrophobicContact CG2-CB 3.95Å; H489-A527 PolarHBondContact CE1-O 3.02Å; H489-A527 PolarHBondContact NE2-O 2.95Å; E524-A527 HydrophobicContact CB-CB 4.08Å; E524-A527 HydrophobicContact CG-CB 4.13Å; E524-A527 WeakPolarHBondContact O-CB 3.49Å; E524-A527 PolarHBondContact O-N 2.66Å; A527-S534 WeakPolarHBondContact O-CA 3.45Å
528V96.5Very high97.4Very high59 Ų5931.9 Ų31.936%0.35818%0.181SC..BIsolated β-bridgetrans-119.2154.1-177.8-61.80000112.7R480 N533 M568R480-V528 PolarHBondContact NH1-O 3.07Å; V528-N533 CarbonylContact C-O 3.56Å; V528-N533 VanDerWaalsContact CA-O 3.25Å; V528-N533 WeakPolarHBondContact CA-O 3.43Å; V528-M568 HydrophobicContact CG1-SD 4.03Å
529D97.6Very high97.3Very high13 Ų1332 Ų327%0.0718%0.181CC..  trans-78.2-175.8169.5763.6000112.4F485 E531 G532 N533F485-D529 HydrophobicContact CD1-CB 3.59Å; F485-D529 HydrophobicContact CE1-CB 3.75Å; F485-D529 WeakPolarHBondContact CE1-OD2 3.27Å; D529-E531 PolarHBondContact O-N 3.38Å; D529-E531 VanDerWaalsContact OD1-C 3.24Å; D529-E531 VanDerWaalsContact OD1-CA 3.26Å; D529-E531 WeakPolarHBondContact OD1-CA 3.41Å; D529-E531 WeakPolarHBondContact OD1-CB 3.39Å; D529-E531 PolarHBondContact OD1-N 3.01Å; D529-G532 PolarHBondContact O-N 3.35Å; D529-G532 PolarHBondContact OD1-N 3.43Å; D529-N533 PolarHBondContact N-O 3.16Å; D529-N533 PolarHBondContact OD1-N 2.94Å; D529-N533 PolarHBondContact OD1-ND2 3.34Å; D529-N533 WeakPolarHBondContact OD2-CB 3.38Å; D529-N533 PolarHBondContact OD2-ND2 3.07Å
530N97.5Very high97.1Very high86 Ų8631 Ų3146%0.4618%0.176SC..THydrogen-bonded Turntrans-65.1-19178.6-72-14.1000113.8R482 E483 K571R482-N530 PolarHBondContact O-ND2 3.45Å; E483-N530 VanDerWaalsContact C-ND2 3.33Å; E483-N530 VanDerWaalsContact O-CB 3.28Å; E483-N530 WeakPolarHBondContact O-CB 3.41Å; E483-N530 VanDerWaalsContact O-CG 3.29Å; E483-N530 PolarHBondContact O-N 3.27Å; N530-K571 WeakPolarHBondContact O-CD 2.95Å; N530-K571 WeakPolarHBondContact O-CE 3.44Å; N530-K571 PolarHBondContact O-NZ 2.98Å
531E97.4Very high96.9Very high100 Ų10029.2 Ų29.247%0.46716%0.164SC..THydrogen-bonded Turntrans-95.92.3176.6-65.7-59.2140.600112.3D529 N533 K571D529-E531 PolarHBondContact O-N 3.38Å; D529-E531 VanDerWaalsContact OD1-C 3.24Å; D529-E531 VanDerWaalsContact OD1-CA 3.26Å; D529-E531 WeakPolarHBondContact OD1-CA 3.41Å; D529-E531 WeakPolarHBondContact OD1-CB 3.39Å; D529-E531 PolarHBondContact OD1-N 3.01Å; E531-N533 VanDerWaalsContact C-N 3.3Å; E531-N533 WeakPolarHBondContact CB-ND2 3.43Å; E531-K571 WeakPolarHBondContact O-CB 3.47Å; E531-K571 WeakPolarHBondContact O-CG 3.34Å; E531-K571 PolarHBondContact O-N 3.22Å
532G95.8Very high96.6Very high7 Ų729.7 Ų29.77%0.07217%0.165CC..SBendtrans77.611.3-177.500000113.9D529 N570D529-G532 PolarHBondContact O-N 3.35Å; D529-G532 PolarHBondContact OD1-N 3.43Å; G532-N570 VanDerWaalsContact O-CA 3.3Å; G532-N570 WeakPolarHBondContact O-CA 3.24Å; G532-N570 VanDerWaalsContact O-CB 3.26Å; G532-N570 WeakPolarHBondContact O-CB 3.49Å
533N97.6Very high95.9Very high14 Ų1432.9 Ų32.98%0.07517%0.172CC..  trans-77.3132.8174.8-55.3-61.6000109.1H489 V528 D529 E531 H537 I538 N570H489-N533 PolarHBondContact NE2-O 3.1Å; V528-N533 CarbonylContact C-O 3.56Å; V528-N533 VanDerWaalsContact CA-O 3.25Å; V528-N533 WeakPolarHBondContact CA-O 3.43Å; D529-N533 PolarHBondContact N-O 3.16Å; D529-N533 PolarHBondContact OD1-N 2.94Å; D529-N533 PolarHBondContact OD1-ND2 3.34Å; D529-N533 WeakPolarHBondContact OD2-CB 3.38Å; D529-N533 PolarHBondContact OD2-ND2 3.07Å; E531-N533 VanDerWaalsContact C-N 3.3Å; E531-N533 WeakPolarHBondContact CB-ND2 3.43Å; N533-H537 HydrophobicContact CB-CB 3.66Å; N533-I538 HydrophobicContact CB-CD1 3.84Å; N533-I538 HydrophobicContact CB-CG1 4.47Å; N533-N570 PolarHBondContact OD1-ND2 2.94Å
534S97.5Very high95.1Very high0 Ų039.9 Ų39.90%020%0.195CC..BIsolated β-bridgetrans-85.3171.6165.366.40000111.7A527 L536 H537 I538A527-S534 WeakPolarHBondContact O-CA 3.45Å; S534-L536 PolarHBondContact O-N 2.99Å; S534-L536 VanDerWaalsContact O-N 3.08Å; S534-H537 PolarHBondContact N-ND1 3.11Å; S534-H537 WeakPolarHBondContact O-CA 3.46Å; S534-H537 WeakPolarHBondContact O-CB 3.49Å; S534-H537 PolarHBondContact O-N 3.41Å; S534-H537 PolarHBondContact OG-ND1 3.4Å; S534-I538 PolarHBondContact O-N 3.24Å; S534-I538 VanDerWaalsContact O-N 3.17Å
535A98.3Very high93.9Very high0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-51.7-34.9173.200000112.8L488 H489 V492 I538 I539 L559L488-A535 HydrophobicContact CD2-CB 3.94Å; L488-A535 HydrophobicContact CG-CB 3.84Å; H489-A535 PolarHBondContact NE2-N 3.41Å; V492-A535 HydrophobicContact CG2-CB 3.96Å; V492-A535 WeakPolarHBondContact CG2-O 3.45Å; A535-I538 PolarHBondContact O-N 2.89Å; A535-I539 PolarHBondContact O-N 3.36Å; A535-L559 HydrophobicContact CB-CD1 4.27Å; A535-L559 HydrophobicContact CB-CD2 3.97Å
536L96.8Very high93Very high0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-68-36176.6-167.960.4000112.7S534 I538 I539 V540 I556 L559 A564 T566 P576 L589S534-L536 PolarHBondContact O-N 2.99Å; S534-L536 VanDerWaalsContact O-N 3.08Å; L536-I538 VanDerWaalsContact C-N 3.27Å; L536-I538 PolarHBondContact O-N 3.4Å; L536-I539 HydrophobicContact CD1-CG2 4.17Å; L536-V540 HydrophobicContact CD1-CG1 4.45Å; L536-V540 WeakPolarHBondContact O-CG1 3.42Å; L536-V540 VanDerWaalsContact O-CG2 3.3Å; L536-V540 WeakPolarHBondContact O-CG2 3.39Å; L536-I556 HydrophobicContact CD1-CG1 4.39Å; L536-I556 HydrophobicContact CD1-CG2 4.49Å; L536-L559 HydrophobicContact CB-CD1 4.36Å; L536-L559 HydrophobicContact CD1-CD1 4.08Å; L536-A564 HydrophobicContact CB-CB 4.47Å; L536-A564 HydrophobicContact CD2-CB 4.06Å; L536-T566 HydrophobicContact CD2-CG2 4.08Å; L536-P576 HydrophobicContact CB-CG 4.26Å; L536-P576 HydrophobicContact CD2-CB 4.22Å; L536-P576 HydrophobicContact CD2-CG 3.95Å; L536-P576 HydrophobicContact CG-CB 3.92Å; L536-P576 HydrophobicContact CG-CG 3.95Å; L536-L589 HydrophobicContact CD1-CD2 3.81Å; L536-L589 HydrophobicContact CD2-CD2 4.12Å; L536-L589 HydrophobicContact CG-CD2 4.08Å
537H97.2Very high92.5Very high0 Ų043.2 Ų43.20%022%0.224CC..Hα-helixtrans-67.1-28.4172.7-70.286000112.5N533 S534 V540 Q541 M568 K574 P576N533-H537 HydrophobicContact CB-CB 3.66Å; S534-H537 PolarHBondContact N-ND1 3.11Å; S534-H537 WeakPolarHBondContact O-CA 3.46Å; S534-H537 WeakPolarHBondContact O-CB 3.49Å; S534-H537 PolarHBondContact O-N 3.41Å; S534-H537 PolarHBondContact OG-ND1 3.4Å; H537-V540 WeakPolarHBondContact O-CG2 3.43Å; H537-Q541 PolarHBondContact O-NE2 2.88Å; H537-M568 PolarHBondContact CE1-O 3.34Å; H537-M568 PolarHBondContact NE2-O 3.08Å; H537-K574 PolarHBondContact NE2-O 3.2Å; H537-P576 WeakPolarHBondContact NE2-CD 3.35Å
538I97.5Very high92.1Very high16 Ų1645 Ų458%0.08223%0.232CC..Hα-helixtrans-77.8-53179.4-59.1-53.1000110.9F485 V492 N493 N533 S534 A535 L536 V540 Q541F485-I538 HydrophobicContact CE1-CD1 4.34Å; V492-I538 HydrophobicContact CG2-CB 4.08Å; V492-I538 HydrophobicContact CG2-CG2 4.12Å; N493-I538 HydrophobicContact CB-CG2 3.69Å; N533-I538 HydrophobicContact CB-CD1 3.84Å; N533-I538 HydrophobicContact CB-CG1 4.47Å; S534-I538 PolarHBondContact O-N 3.24Å; S534-I538 VanDerWaalsContact O-N 3.17Å; A535-I538 PolarHBondContact O-N 2.89Å; L536-I538 VanDerWaalsContact C-N 3.27Å; L536-I538 PolarHBondContact O-N 3.4Å; I538-V540 VanDerWaalsContact C-N 3.25Å; I538-V540 PolarHBondContact O-N 2.94Å; I538-Q541 WeakPolarHBondContact O-CB 3.4Å; I538-Q541 PolarHBondContact O-N 2.82Å
539I96.4Very high91.8Very high1 Ų146.2 Ų46.21%0.00523%0.233CC..Hα-helixtrans-62.8-31-172.7-170.362.7000113.4V492 P510 A535 L536 Q541 Y542 L552 I555 I556 L559V492-I539 HydrophobicContact CB-CB 4.09Å; V492-I539 HydrophobicContact CB-CD1 4.19Å; V492-I539 HydrophobicContact CG2-CB 4.38Å; V492-I539 WeakPolarHBondContact O-CD1 3.44Å; P510-I539 HydrophobicContact CB-CD1 3.61Å; P510-I539 HydrophobicContact CG-CD1 3.86Å; A535-I539 PolarHBondContact O-N 3.36Å; L536-I539 HydrophobicContact CD1-CG2 4.17Å; I539-Q541 PolarHBondContact O-N 2.89Å; I539-Y542 WeakPolarHBondContact O-CB 3.2Å; I539-Y542 PolarHBondContact O-N 3.41Å; I539-L552 HydrophobicContact CD1-CD1 4.19Å; I539-L552 HydrophobicContact CG1-CD1 3.65Å; I539-I555 HydrophobicContact CB-CG2 4.11Å; I539-I555 HydrophobicContact CD1-CB 4.4Å; I539-I555 HydrophobicContact CD1-CD1 3.82Å; I539-I555 HydrophobicContact CD1-CG2 4.04Å; I539-I555 HydrophobicContact CG1-CB 4.17Å; I539-I555 HydrophobicContact CG1-CG2 3.61Å; I539-I555 HydrophobicContact CG2-CG2 4.27Å; I539-I556 HydrophobicContact CG2-CG1 4.07Å; I539-L559 HydrophobicContact CG2-CD1 4.02Å
540V94.6Very high91.6Very high0 Ų051.6 Ų51.60%026%0.261CS..THydrogen-bonded Turntrans-71.3-10.1-179.4-59.30000113.1L536 H537 I538 I556 P576 K579 T581 S585 L589L536-V540 HydrophobicContact CD1-CG1 4.45Å; L536-V540 WeakPolarHBondContact O-CG1 3.42Å; L536-V540 VanDerWaalsContact O-CG2 3.3Å; L536-V540 WeakPolarHBondContact O-CG2 3.39Å; H537-V540 WeakPolarHBondContact O-CG2 3.43Å; I538-V540 VanDerWaalsContact C-N 3.25Å; I538-V540 PolarHBondContact O-N 2.94Å; V540-I556 HydrophobicContact CG1-CD1 4.48Å; V540-P576 HydrophobicContact CG1-CB 4.5Å; V540-P576 HydrophobicContact CG2-CB 4.44Å; V540-P576 VanDerWaalsContact CG2-O 3.26Å; V540-P576 WeakPolarHBondContact CG2-O 3.42Å; V540-K579 HydrophobicContact CG2-CB 4.25Å; V540-T581 PolarHBondContact O-N 3.27Å; V540-S585 PolarHBondContact O-OG 3.29Å; V540-L589 HydrophobicContact CB-CD1 4.28Å; V540-L589 HydrophobicContact CG1-CD1 3.58Å; V540-L589 HydrophobicContact CG1-CD2 3.99Å; V540-L589 HydrophobicContact CG1-CG 3.88Å
541Q93.9Very high91.4Very high61 Ų6148.9 Ų48.929%0.28525%0.248SC..THydrogen-bonded Turntrans-89.1-2.6172.2-66174.191.100112.6H537 I538 I539 N543 K579 T581H537-Q541 PolarHBondContact O-NE2 2.88Å; I538-Q541 WeakPolarHBondContact O-CB 3.4Å; I538-Q541 PolarHBondContact O-N 2.82Å; I539-Q541 PolarHBondContact O-N 2.89Å; Q541-N543 PolarHBondContact O-N 2.97Å; Q541-K579 VanDerWaalsContact CG-O 3.25Å; Q541-K579 WeakPolarHBondContact CG-O 3.36Å; Q541-K579 VanDerWaalsContact NE2-CE 3.32Å; Q541-K579 VanDerWaalsContact OE1-CE 3.24Å; Q541-T581 WeakPolarHBondContact CA-OG1 3.49Å; Q541-T581 HydrophobicContact CB-CG2 4.16Å; Q541-T581 HydrophobicContact CG-CG2 4.1Å; Q541-T581 PolarHBondContact O-OG1 3.43Å
542Y92.4Very high91.2Very high19 Ų1944.2 Ų44.28%0.07523%0.226CC..  trans-59.2123.1-177.5-177.2-134.7000112P510 I539 R544 P545 D548 L552P510-Y542 VanDerWaalsContact CD-CE2 3.49Å; P510-Y542 HydrophobicContact CG-CD1 4.22Å; P510-Y542 HydrophobicContact CG-CD2 4.07Å; P510-Y542 HydrophobicContact CG-CE1 4.08Å; P510-Y542 HydrophobicContact CG-CE2 3.92Å; P510-Y542 HydrophobicContact CG-CG 4.21Å; I539-Y542 WeakPolarHBondContact O-CB 3.2Å; I539-Y542 PolarHBondContact O-N 3.41Å; Y542-R544 HydrophobicContact CE1-CB 4.03Å; Y542-R544 HydrophobicContact CE2-CB 4.11Å; Y542-P545 WeakPolarHBondContact O-CD 3.1Å; Y542-D548 HydrophobicContact CE1-CB 4Å; Y542-D548 PolarHBondContact OH-OD2 3.14Å; Y542-D548 VanDerWaalsContact OH-OD2 3.12Å; Y542-L552 HydrophobicContact CD1-CB 4.4Å
543N82.1Confident91.1Very high110 Ų11047 Ų4759%0.58824%0.237SC*.SBendtrans-89.50.7-168.164.63.3000114.8Q541 P545Q541-N543 PolarHBondContact O-N 2.97Å; N543-P545 WeakPolarHBondContact O-CD 3.48Å
544R81.4Confident91.1Very high162 Ų16248.6 Ų48.661%0.61125%0.249SC*.  trans-115.741.3175.2-60.8-177.9-174.9-177.91.9113.7Y542 I546 S547 D548Y542-R544 HydrophobicContact CE1-CB 4.03Å; Y542-R544 HydrophobicContact CE2-CB 4.11Å; R544-I546 VanDerWaalsContact C-N 3.26Å; R544-I546 PolarHBondContact O-N 3.36Å; R544-S547 PolarHBondContact O-N 3.36Å; R544-S547 PolarHBondContact O-OG 3.29Å; R544-D548 PolarHBondContact O-N 2.92Å
545P73.7Confident91.1Very high9 Ų948.6 Ų48.66%0.05825%0.249CC..THydrogen-bonded Turntrans-70.7-19.6-168.335.5-42000113.8Y542 N543 F549 L552 T582 V584Y542-P545 WeakPolarHBondContact O-CD 3.1Å; N543-P545 WeakPolarHBondContact O-CD 3.48Å; P545-F549 WeakPolarHBondContact O-CA 3.24Å; P545-F549 WeakPolarHBondContact O-CB 3.19Å; P545-F549 PolarHBondContact O-N 3.21Å; P545-L552 HydrophobicContact CB-CD2 3.4Å; P545-T582 HydrophobicContact CG-CG2 3.71Å; P545-T582 WeakPolarHBondContact CG-OG1 3.36Å; P545-V584 HydrophobicContact CB-CB 4.07Å; P545-V584 HydrophobicContact CB-CG1 4.16Å; P545-V584 HydrophobicContact CG-CB 4.4Å
546I76.6Confident90.9Very high143 Ų14348.7 Ų48.773%0.73325%0.25SC*.THydrogen-bonded Turntrans-85-47.8-179.6-61.3172000110.1R544 D548 V584R544-I546 VanDerWaalsContact C-N 3.26Å; R544-I546 PolarHBondContact O-N 3.36Å; I546-D548 VanDerWaalsContact C-N 3.34Å; I546-V584 HydrophobicContact CG1-CG2 4.12Å
547S84.3Confident90.8Very high100 Ų10050.1 Ų50.170%0.69926%0.257SS*.THydrogen-bonded Turntrans-73.4-27.6-179.252.80000112.9R544R544-S547 PolarHBondContact O-N 3.36Å; R544-S547 PolarHBondContact O-OG 3.29Å
548D88.7Confident90.8Very high45 Ų4550.9 Ų50.924%0.24126%0.263CS..THydrogen-bonded Turntrans-125.444.8-179.5-169.322.9000111.4Y542 R544 I546 L550 T551 L552Y542-D548 HydrophobicContact CE1-CB 4Å; Y542-D548 PolarHBondContact OH-OD2 3.14Å; Y542-D548 VanDerWaalsContact OH-OD2 3.12Å; R544-D548 PolarHBondContact O-N 2.92Å; I546-D548 VanDerWaalsContact C-N 3.34Å; D548-L550 VanDerWaalsContact C-N 3.31Å; D548-L550 PolarHBondContact O-N 3.08Å; D548-T551 VanDerWaalsContact CG-CB 3.45Å; D548-T551 VanDerWaalsContact CG-OG1 3.29Å; D548-T551 PolarHBondContact O-N 3.41Å; D548-T551 WeakPolarHBondContact OD1-CB 3.49Å; D548-T551 PolarHBondContact OD1-OG1 3.31Å; D548-T551 VanDerWaalsContact OD2-CB 3.28Å; D548-T551 WeakPolarHBondContact OD2-CB 3.37Å; D548-T551 PolarHBondContact OD2-OG1 3.29Å; D548-L552 PolarHBondContact O-N 2.84Å
549F91.1Very high90.8Very high84 Ų8450.1 Ų50.137%0.36826%0.259SS..Hα-helixtrans-58-41.5-177.7174.6-98.2000112.8P545 T551 L552 H553 V584 L588P545-F549 WeakPolarHBondContact O-CA 3.24Å; P545-F549 WeakPolarHBondContact O-CB 3.19Å; P545-F549 PolarHBondContact O-N 3.21Å; F549-T551 PolarHBondContact O-N 2.92Å; F549-L552 PolarHBondContact O-N 3.27Å; F549-H553 HydrophobicContact CE1-CB 4.17Å; F549-H553 HydrophobicContact CZ-CB 4.28Å; F549-H553 VanDerWaalsContact O-CB 3.23Å; F549-H553 WeakPolarHBondContact O-CB 3.39Å; F549-H553 PolarHBondContact O-N 3.25Å; F549-V584 HydrophobicContact CD2-CG1 3.64Å; F549-V584 HydrophobicContact CE2-CG1 3.78Å; F549-L588 HydrophobicContact CD2-CD1 4.43Å; F549-L588 HydrophobicContact CE2-CD1 3.88Å; F549-L588 HydrophobicContact CE2-CD2 3.96Å; F549-L588 HydrophobicContact CE2-CG 4.13Å; F549-L588 HydrophobicContact CZ-CD2 3.94Å
550L92.8Very high90.6Very high126 Ų12651.7 Ų51.766%0.6627%0.268SS*.Hα-helixtrans-65.4-39.4-176-67.7177.3000111.9D548 S554D548-L550 VanDerWaalsContact C-N 3.31Å; D548-L550 PolarHBondContact O-N 3.08Å; L550-S554 VanDerWaalsContact O-CB 3.25Å; L550-S554 WeakPolarHBondContact O-CB 3.4Å; L550-S554 PolarHBondContact O-N 2.66Å; L550-S554 PolarHBondContact O-OG 2.91Å
551T93.8Very high90.6Very high30 Ų3058.6 Ų58.618%0.18430%0.3CS..Hα-helixtrans-65.2-49.1176.1-58.70000110.6P510 A512 D548 F549 H553 S554 I555P510-T551 HydrophobicContact CG-CG2 4.31Å; A512-T551 HydrophobicContact CB-CG2 4.31Å; D548-T551 VanDerWaalsContact CG-CB 3.45Å; D548-T551 VanDerWaalsContact CG-OG1 3.29Å; D548-T551 PolarHBondContact O-N 3.41Å; D548-T551 WeakPolarHBondContact OD1-CB 3.49Å; D548-T551 PolarHBondContact OD1-OG1 3.31Å; D548-T551 VanDerWaalsContact OD2-CB 3.28Å; D548-T551 WeakPolarHBondContact OD2-CB 3.37Å; D548-T551 PolarHBondContact OD2-OG1 3.29Å; F549-T551 PolarHBondContact O-N 2.92Å; T551-H553 PolarHBondContact O-N 3.48Å; T551-S554 PolarHBondContact O-N 3.43Å; T551-I555 HydrophobicContact CG2-CD1 3.87Å; T551-I555 WeakPolarHBondContact O-CG1 3.29Å; T551-I555 PolarHBondContact O-N 3.29Å
552L93.6Very high90.6Very high1 Ų158 Ų581%0.00531%0.306CS..Hα-helixtrans-57.2-49.7176.617660000111.8I539 Y542 P545 D548 F549 I555 I556 V584 L588I539-L552 HydrophobicContact CD1-CD1 4.19Å; I539-L552 HydrophobicContact CG1-CD1 3.65Å; Y542-L552 HydrophobicContact CD1-CB 4.4Å; P545-L552 HydrophobicContact CB-CD2 3.4Å; D548-L552 PolarHBondContact O-N 2.84Å; F549-L552 PolarHBondContact O-N 3.27Å; L552-I555 PolarHBondContact O-N 2.91Å; L552-I556 HydrophobicContact CD1-CD1 3.71Å; L552-I556 HydrophobicContact CD1-CG1 4.2Å; L552-I556 HydrophobicContact CG-CD1 4.07Å; L552-I556 WeakPolarHBondContact O-CG1 3.44Å; L552-I556 PolarHBondContact O-N 3.27Å; L552-V584 HydrophobicContact CD2-CG1 4.42Å; L552-L588 HydrophobicContact CD2-CD1 4Å; L552-L588 HydrophobicContact CG-CD1 3.89Å
553H93.5Very high90.6Very high65 Ų6558.9 Ų58.930%0.30132%0.321SS..Hα-helixtrans-58.2-51.1178.1179.776.5000111.1F549 T551 I555 I556 I557 L588F549-H553 HydrophobicContact CE1-CB 4.17Å; F549-H553 HydrophobicContact CZ-CB 4.28Å; F549-H553 VanDerWaalsContact O-CB 3.23Å; F549-H553 WeakPolarHBondContact O-CB 3.39Å; F549-H553 PolarHBondContact O-N 3.25Å; T551-H553 PolarHBondContact O-N 3.48Å; H553-I555 VanDerWaalsContact C-N 3.32Å; H553-I555 PolarHBondContact O-N 3.34Å; H553-I556 PolarHBondContact O-N 2.88Å; H553-I557 VanDerWaalsContact O-CG1 3.26Å; H553-I557 WeakPolarHBondContact O-CG1 3.4Å; H553-I557 PolarHBondContact O-N 3.22Å; H553-L588 HydrophobicContact CB-CD1 4.29Å; H553-L588 HydrophobicContact CB-CD2 4.4Å; H553-L588 WeakPolarHBondContact ND1-CD2 3.11Å
554S96.4Very high91.1Very high49 Ų4954 Ų5434%0.34330%0.296SS..Hα-helixtrans-61.8-38.4-177.4-57.70000112.6L550 T551 S558L550-S554 VanDerWaalsContact O-CB 3.25Å; L550-S554 WeakPolarHBondContact O-CB 3.4Å; L550-S554 PolarHBondContact O-N 2.66Å; L550-S554 PolarHBondContact O-OG 2.91Å; T551-S554 PolarHBondContact O-N 3.43Å; S554-S558 WeakPolarHBondContact O-CB 3.42Å; S554-S558 PolarHBondContact O-N 3.02Å; S554-S558 PolarHBondContact O-OG 3.49Å
555I97.4Very high91.5Very high0 Ų047.9 Ų47.90%027%0.274CS..Hα-helixtrans-67.7-48.5176.9-70.9170.3000111V492 P510 A512 T515 I539 T551 L552 H553 I557 S558 L559V492-I555 HydrophobicContact CB-CG2 4.27Å; V492-I555 HydrophobicContact CG1-CG2 3.64Å; P510-I555 HydrophobicContact CB-CD1 3.65Å; P510-I555 HydrophobicContact CG-CD1 4.41Å; A512-I555 HydrophobicContact CB-CD1 4.48Å; A512-I555 HydrophobicContact CB-CG1 3.92Å; T515-I555 HydrophobicContact CG2-CG1 4.44Å; T515-I555 HydrophobicContact CG2-CG2 4.19Å; I539-I555 HydrophobicContact CB-CG2 4.11Å; I539-I555 HydrophobicContact CD1-CB 4.4Å; I539-I555 HydrophobicContact CD1-CD1 3.82Å; I539-I555 HydrophobicContact CD1-CG2 4.04Å; I539-I555 HydrophobicContact CG1-CB 4.17Å; I539-I555 HydrophobicContact CG1-CG2 3.61Å; I539-I555 HydrophobicContact CG2-CG2 4.27Å; T551-I555 HydrophobicContact CG2-CD1 3.87Å; T551-I555 WeakPolarHBondContact O-CG1 3.29Å; T551-I555 PolarHBondContact O-N 3.29Å; L552-I555 PolarHBondContact O-N 2.91Å; H553-I555 VanDerWaalsContact C-N 3.32Å; H553-I555 PolarHBondContact O-N 3.34Å; I555-I557 VanDerWaalsContact C-N 3.3Å; I555-I557 PolarHBondContact O-N 2.98Å; I555-S558 PolarHBondContact O-N 3.26Å; I555-L559 HydrophobicContact CG2-CD1 3.8Å; I555-L559 HydrophobicContact CG2-CG 4.23Å; I555-L559 WeakPolarHBondContact O-CB 3.38Å; I555-L559 VanDerWaalsContact O-CG 3.3Å; I555-L559 WeakPolarHBondContact O-CG 3.1Å; I555-L559 PolarHBondContact O-N 2.88Å
556I94.9Very high92.2Very high2 Ų248 Ų481%0.0127%0.274CS..Hα-helixtrans-59.4-44.8179.3-70.5173.7000110.4L536 I539 V540 L552 H553 L559 V560 L588 L589 Q592L536-I556 HydrophobicContact CD1-CG1 4.39Å; L536-I556 HydrophobicContact CD1-CG2 4.49Å; I539-I556 HydrophobicContact CG2-CG1 4.07Å; V540-I556 HydrophobicContact CG1-CD1 4.48Å; L552-I556 HydrophobicContact CD1-CD1 3.71Å; L552-I556 HydrophobicContact CD1-CG1 4.2Å; L552-I556 HydrophobicContact CG-CD1 4.07Å; L552-I556 WeakPolarHBondContact O-CG1 3.44Å; L552-I556 PolarHBondContact O-N 3.27Å; H553-I556 PolarHBondContact O-N 2.88Å; I556-L559 PolarHBondContact O-N 3.2Å; I556-V560 HydrophobicContact CG2-CG2 4.43Å; I556-V560 WeakPolarHBondContact O-CG2 3.39Å; I556-V560 PolarHBondContact O-N 3.21Å; I556-L588 HydrophobicContact CD1-CB 3.96Å; I556-L588 HydrophobicContact CD1-CD1 4.12Å; I556-L589 HydrophobicContact CG2-CD2 4.39Å; I556-Q592 HydrophobicContact CG2-CG 4.29Å
557I94.4Very high92.7Very high30 Ų3041.9 Ų41.915%0.15424%0.243CC..Hα-helixtrans-59.8-50.6176-65-67.1000110.6H553 I555 L559 V560 E561 Q592H553-I557 VanDerWaalsContact O-CG1 3.26Å; H553-I557 WeakPolarHBondContact O-CG1 3.4Å; H553-I557 PolarHBondContact O-N 3.22Å; I555-I557 VanDerWaalsContact C-N 3.3Å; I555-I557 PolarHBondContact O-N 2.98Å; I557-L559 VanDerWaalsContact C-N 3.31Å; I557-L559 PolarHBondContact O-N 3.39Å; I557-V560 PolarHBondContact O-N 3.34Å; I557-E561 HydrophobicContact CG2-CG 4.11Å; I557-E561 WeakPolarHBondContact O-CB 2.83Å; I557-E561 WeakPolarHBondContact O-CG 3.47Å; I557-E561 PolarHBondContact O-N 2.88Å; I557-Q592 HydrophobicContact CD1-CG 3.74Å; I557-Q592 VanDerWaalsContact CD1-OE1 3.3Å
558S97.2Very high92.9Very high16 Ų1637.3 Ų37.311%0.11221%0.211CC..Hα-helixtrans-58.9-41.7-179-610000112.4S554 I555 A562S554-S558 WeakPolarHBondContact O-CB 3.42Å; S554-S558 PolarHBondContact O-N 3.02Å; S554-S558 PolarHBondContact O-OG 3.49Å; I555-S558 PolarHBondContact O-N 3.26Å; S558-A562 VanDerWaalsContact O-CB 3.24Å; S558-A562 WeakPolarHBondContact O-CB 3.42Å; S558-A562 PolarHBondContact O-N 2.84Å
559L97.4Very high93.1Very high0 Ų036.2 Ų36.20%021%0.206CC..Hα-helixtrans-65.3-48.2176.7-69.6173.6000111.3L488 T515 L519 V525 A535 L536 I539 I555 I556 I557 A562 G563 A564L488-L559 HydrophobicContact CD1-CD2 4.3Å; L488-L559 HydrophobicContact CD2-CD2 4.07Å; L488-L559 HydrophobicContact CG-CD2 4.42Å; T515-L559 HydrophobicContact CG2-CD2 4.42Å; L519-L559 HydrophobicContact CD1-CD2 4.25Å; L519-L559 HydrophobicContact CD2-CD2 4.42Å; V525-L559 HydrophobicContact CG2-CB 4.31Å; V525-L559 HydrophobicContact CG2-CD2 3.78Å; V525-L559 WeakPolarHBondContact CG2-O 3.37Å; A535-L559 HydrophobicContact CB-CD1 4.27Å; A535-L559 HydrophobicContact CB-CD2 3.97Å; L536-L559 HydrophobicContact CB-CD1 4.36Å; L536-L559 HydrophobicContact CD1-CD1 4.08Å; I539-L559 HydrophobicContact CG2-CD1 4.02Å; I555-L559 HydrophobicContact CG2-CD1 3.8Å; I555-L559 HydrophobicContact CG2-CG 4.23Å; I555-L559 WeakPolarHBondContact O-CB 3.38Å; I555-L559 VanDerWaalsContact O-CG 3.3Å; I555-L559 WeakPolarHBondContact O-CG 3.1Å; I555-L559 PolarHBondContact O-N 2.88Å; I556-L559 PolarHBondContact O-N 3.2Å; I557-L559 VanDerWaalsContact C-N 3.31Å; I557-L559 PolarHBondContact O-N 3.39Å; L559-A562 CarbonylContact O-C 3.5Å; L559-A562 PolarHBondContact O-N 3.11Å; L559-G563 PolarHBondContact O-N 3.34Å; L559-A564 VanDerWaalsContact C-CB 3.49Å; L559-A564 HydrophobicContact CB-CB 3.9Å; L559-A564 WeakPolarHBondContact O-CB 3.35Å; L559-A564 PolarHBondContact O-N 2.99Å
560V93.1Very high93.2Very high33 Ų3332.6 Ų32.620%0.219%0.19CC..Hα-helixtrans-64.9-42.3-179.5172.10000111.3I556 I557 A562 G563 T566 Q592I556-V560 HydrophobicContact CG2-CG2 4.43Å; I556-V560 WeakPolarHBondContact O-CG2 3.39Å; I556-V560 PolarHBondContact O-N 3.21Å; I557-V560 PolarHBondContact O-N 3.34Å; V560-A562 VanDerWaalsContact C-N 3.28Å; V560-A562 PolarHBondContact O-N 3.17Å; V560-G563 WeakPolarHBondContact O-CA 3.35Å; V560-G563 PolarHBondContact O-N 3.39Å; V560-T566 HydrophobicContact CG2-CG2 4.25Å; V560-Q592 HydrophobicContact CG1-CB 4.34Å; V560-Q592 HydrophobicContact CG2-CB 4.12Å
561E93Very high93.3Very high145 Ų14533.7 Ų33.768%0.67819%0.19SC*.Hα-helixtrans-63.5-34.4175.3-72.9-177.5165.700112.4I557 G563I557-E561 HydrophobicContact CG2-CG 4.11Å; I557-E561 WeakPolarHBondContact O-CB 2.83Å; I557-E561 WeakPolarHBondContact O-CG 3.47Å; I557-E561 PolarHBondContact O-N 2.88Å; E561-G563 PolarHBondContact O-N 3.29Å
562A94.9Very high93.4Very high49 Ų4937 Ų3741%0.40520%0.204SC..THydrogen-bonded Turntrans-75-3.8172.600000113.7L519 V525 S558 L559 V560L519-A562 HydrophobicContact CB-CB 4.46Å; L519-A562 HydrophobicContact CD1-CB 3.99Å; L519-A562 HydrophobicContact CD2-CB 3.85Å; L519-A562 HydrophobicContact CG-CB 4.32Å; V525-A562 HydrophobicContact CB-CB 4.28Å; V525-A562 WeakPolarHBondContact CG1-O 3.16Å; V525-A562 HydrophobicContact CG2-CB 4.04Å; S558-A562 VanDerWaalsContact O-CB 3.24Å; S558-A562 WeakPolarHBondContact O-CB 3.42Å; S558-A562 PolarHBondContact O-N 2.84Å; L559-A562 CarbonylContact O-C 3.5Å; L559-A562 PolarHBondContact O-N 3.11Å; V560-A562 VanDerWaalsContact C-N 3.28Å; V560-A562 PolarHBondContact O-N 3.17Å
563G92.1Very high93.2Very high37 Ų3741.9 Ų41.938%0.38123%0.229SC..THydrogen-bonded Turntrans99.423.2175.700000115.2N526 L559 V560 E561 H565N526-G563 PolarHBondContact ND2-O 2.95Å; L559-G563 PolarHBondContact O-N 3.34Å; V560-G563 WeakPolarHBondContact O-CA 3.35Å; V560-G563 PolarHBondContact O-N 3.39Å; E561-G563 PolarHBondContact O-N 3.29Å; G563-H565 PolarHBondContact O-N 2.89Å
564A93Very high93.3Very high9 Ų942.6 Ų42.67%0.07423%0.232CC..  trans-60.2130.3173.700000111.9V525 N526 L536 L559 T566V525-A564 HydrophobicContact CG2-CB 3.75Å; N526-A564 WeakPolarHBondContact OD1-CA 3.29Å; L536-A564 HydrophobicContact CB-CB 4.47Å; L536-A564 HydrophobicContact CD2-CB 4.06Å; L559-A564 VanDerWaalsContact C-CB 3.49Å; L559-A564 HydrophobicContact CB-CB 3.9Å; L559-A564 WeakPolarHBondContact O-CB 3.35Å; L559-A564 PolarHBondContact O-N 2.99Å; A564-T566 PolarHBondContact O-N 3.27Å
565H89.5Confident93.1Very high33 Ų3341.5 Ų41.515%0.15322%0.223CC..  trans-80.1113.8176.4-69.1-64.5000111.3N526 G563 D567 M568 C599 F623 F626N526-H565 VanDerWaalsContact CG-CD2 3.48Å; N526-H565 PolarHBondContact ND2-CD2 3.27Å; N526-H565 PolarHBondContact OD1-N 3.23Å; G563-H565 PolarHBondContact O-N 2.89Å; H565-D567 PolarHBondContact O-N 3.47Å; H565-M568 HydrophobicContact CB-CB 3.79Å; H565-M568 HydrophobicContact CB-CE 4.34Å; H565-C599 PolarHBondContact ND1-SG 3.37Å; H565-F623 AromaticContact CE1-CE2 3.55Å; H565-F623 AromaticContact NE2-CE2 3.45Å; H565-F623 WeakPolarHBondContact NE2-CE2 3.12Å; H565-F626 HydrophobicContact CB-CE2 4.3Å; H565-F626 AromaticContact CD2-CE2 3.92Å; H565-F626 AromaticContact CD2-CZ 3.69Å
566T88.1Confident93Very high10 Ų1041.5 Ų41.56%0.06122%0.223CC..THydrogen-bonded Turntrans-72.6-14.3179.1560000114.1L536 V560 A564 P576 M593L536-T566 HydrophobicContact CD2-CG2 4.08Å; V560-T566 HydrophobicContact CG2-CG2 4.25Å; A564-T566 PolarHBondContact O-N 3.27Å; T566-P576 WeakPolarHBondContact O-CD 3.28Å; T566-M593 HydrophobicContact CG2-CG 4.17Å
567D87.5Confident92.9Very high15 Ų1543.4 Ų43.48%0.0823%0.233CC..THydrogen-bonded Turntrans-1153-178.562.3-30.5000113.7H565 T569 M595 R603 H627H565-D567 PolarHBondContact O-N 3.47Å; D567-T569 PolarHBondContact O-N 2.91Å; D567-M595 HydrophobicContact CB-CE 3.93Å; D567-M595 HydrophobicContact CB-SD 4.21Å; D567-R603 WeakPolarHBondContact OD2-CD 3.31Å; D567-H627 IonicContact OD1-CD2 3.77Å; D567-H627 IonicContact OD1-NE2 3.58Å; D567-H627 IonicContact OD2-CD2 3.23Å; D567-H627 PolarHBondContact OD2-CD2 2.7Å; D567-H627 VanDerWaalsContact OD2-CD2 3.23Å; D567-H627 IonicContact OD2-NE2 3.71Å
568M89.4Confident92.9Very high4 Ų446.7 Ų46.72%0.0225%0.251CS..  trans-56.6134.9169.6173.4-176.9-71.600109.5N526 V528 H537 H565 T575 P576 F626N526-M568 HydrophobicContact CB-CE 3.72Å; V528-M568 HydrophobicContact CG1-SD 4.03Å; H537-M568 PolarHBondContact CE1-O 3.34Å; H537-M568 PolarHBondContact NE2-O 3.08Å; H565-M568 HydrophobicContact CB-CB 3.79Å; H565-M568 HydrophobicContact CB-CE 4.34Å; M568-T575 WeakPolarHBondContact O-CA 3.33Å; M568-P576 WeakPolarHBondContact O-CD 3.24Å; M568-F626 HydrophobicContact CB-CD2 3.81Å; M568-F626 HydrophobicContact CB-CE2 4.04Å; M568-F626 HydrophobicContact CE-CD1 4.12Å; M568-F626 HydrophobicContact CE-CD2 3.82Å; M568-F626 HydrophobicContact CE-CE1 3.9Å; M568-F626 HydrophobicContact CE-CE2 3.59Å; M568-F626 HydrophobicContact CE-CG 4.09Å; M568-F626 HydrophobicContact CE-CZ 3.67Å; M568-F626 HydrophobicContact CG-CB 4.22Å; M568-F626 HydrophobicContact CG-CD2 3.63Å; M568-F626 HydrophobicContact CG-CE2 4.16Å; M568-F626 HydrophobicContact CG-CG 4.09Å
569T91.7Very high92.8Very high22 Ų2248 Ų4814%0.13525%0.254CS..  trans-103.4140.3176.359.90000111.4D567 K574 T575 F626D567-T569 PolarHBondContact O-N 2.91Å; T569-K574 WeakPolarHBondContact CA-O 3.44Å; T569-T575 HydrophobicContact CG2-CG2 3.86Å; T569-F626 PolarHBondContact N-O 3.05Å; T569-F626 PolarHBondContact OG1-O 3.11Å
570N94Very high92.5Very high8 Ų848.8 Ų48.84%0.04326%0.26CS..  trans-79.6-176.3170.872.28.1000111.9G532 N533 Q572 N573 K574G532-N570 VanDerWaalsContact O-CA 3.3Å; G532-N570 WeakPolarHBondContact O-CA 3.24Å; G532-N570 VanDerWaalsContact O-CB 3.26Å; G532-N570 WeakPolarHBondContact O-CB 3.49Å; N533-N570 PolarHBondContact OD1-ND2 2.94Å; N570-Q572 PolarHBondContact O-N 2.84Å; N570-Q572 WeakPolarHBondContact OD1-CA 3.34Å; N570-Q572 WeakPolarHBondContact OD1-CB 3.5Å; N570-Q572 PolarHBondContact OD1-N 3.5Å; N570-N573 WeakPolarHBondContact O-CA 3.29Å; N570-N573 PolarHBondContact O-N 2.99Å; N570-N573 PolarHBondContact OD1-N 3.48Å; N570-K574 PolarHBondContact N-O 3.29Å; N570-K574 PolarHBondContact OD1-N 2.92Å; N570-K574 PolarHBondContact OD1-O 3.15Å
571K94.5Very high92.2Very high150 Ų15051.2 Ų51.265%0.65228%0.275SS*.THydrogen-bonded Turntrans-62.6-15.6179.7-67.1-177.3-179178.50114.2N530 E531 N573N530-K571 WeakPolarHBondContact O-CD 2.95Å; N530-K571 WeakPolarHBondContact O-CE 3.44Å; N530-K571 PolarHBondContact O-NZ 2.98Å; E531-K571 WeakPolarHBondContact O-CB 3.47Å; E531-K571 WeakPolarHBondContact O-CG 3.34Å; E531-K571 PolarHBondContact O-N 3.22Å; K571-N573 VanDerWaalsContact C-N 3.34Å
572Q95Very high91.9Very high100 Ų10045.8 Ų45.847%0.46725%0.252SS..THydrogen-bonded Turntrans-929.3174.1-57.7-179.54.700112.9N570 K574N570-Q572 PolarHBondContact O-N 2.84Å; N570-Q572 WeakPolarHBondContact OD1-CA 3.34Å; N570-Q572 WeakPolarHBondContact OD1-CB 3.5Å; N570-Q572 PolarHBondContact OD1-N 3.5Å; Q572-K574 HydrophobicContact CB-CD 4.22Å; Q572-K574 HydrophobicContact CB-CG 4.2Å; Q572-K574 PolarHBondContact O-N 3.28Å
573N90.9Very high91.5Very high102 Ų10245.6 Ų45.655%0.54525%0.254SS..SBendtrans5728.9-172-60.4-70000113.6N570 K571 R606N570-N573 WeakPolarHBondContact O-CA 3.29Å; N570-N573 PolarHBondContact O-N 2.99Å; N570-N573 PolarHBondContact OD1-N 3.48Å; K571-N573 VanDerWaalsContact C-N 3.34Å; N573-R606 PolarHBondContact OD1-NH2 2.95Å; N573-R606 VanDerWaalsContact OD1-NH2 3.16Å
574K94.7Very high91.3Very high80 Ų8045.6 Ų45.635%0.34825%0.247SC..  trans-101.3133177.5-67.5177.9-178.3162.10109.5H537 T569 N570 Q572 D578 K579H537-K574 PolarHBondContact NE2-O 3.2Å; T569-K574 WeakPolarHBondContact CA-O 3.44Å; N570-K574 PolarHBondContact N-O 3.29Å; N570-K574 PolarHBondContact OD1-N 2.92Å; N570-K574 PolarHBondContact OD1-O 3.15Å; Q572-K574 HydrophobicContact CB-CD 4.22Å; Q572-K574 HydrophobicContact CB-CG 4.2Å; Q572-K574 PolarHBondContact O-N 3.28Å; K574-D578 HydrophobicContact CB-CB 3.9Å; K574-D578 HydrophobicContact CG-CB 4.2Å; K574-K579 HydrophobicContact CB-CD 4.28Å; K574-K579 HydrophobicContact CB-CG 4Å; K574-K579 HydrophobicContact CD-CD 3.87Å; K574-K579 HydrophobicContact CD-CG 4.44Å
575T93.4Very high91Very high26 Ų2645.2 Ų45.216%0.1624%0.244CC..  trans-78.5169.1169.765.20000111.1M568 T569 L577 D578 K579M568-T575 WeakPolarHBondContact O-CA 3.33Å; T569-T575 HydrophobicContact CG2-CG2 3.86Å; T575-L577 PolarHBondContact O-N 3.47Å; T575-L577 PolarHBondContact OG1-N 3.05Å; T575-D578 WeakPolarHBondContact CB-OD2 3.37Å; T575-D578 PolarHBondContact N-OD2 3Å; T575-D578 PolarHBondContact O-N 3.08Å; T575-D578 VanDerWaalsContact O-N 3.08Å; T575-D578 VanDerWaalsContact OG1-CG 3.24Å; T575-D578 PolarHBondContact OG1-N 3.08Å; T575-D578 PolarHBondContact OG1-OD2 3.23Å; T575-K579 PolarHBondContact O-N 3.2Å
576P94.3Very high91Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-54.6-34.3168.7-26.334000112.8L536 H537 V540 T566 M568 K579 S580 L589L536-P576 HydrophobicContact CB-CG 4.26Å; L536-P576 HydrophobicContact CD2-CB 4.22Å; L536-P576 HydrophobicContact CD2-CG 3.95Å; L536-P576 HydrophobicContact CG-CB 3.92Å; L536-P576 HydrophobicContact CG-CG 3.95Å; H537-P576 WeakPolarHBondContact NE2-CD 3.35Å; V540-P576 HydrophobicContact CG1-CB 4.5Å; V540-P576 HydrophobicContact CG2-CB 4.44Å; V540-P576 VanDerWaalsContact CG2-O 3.26Å; V540-P576 WeakPolarHBondContact CG2-O 3.42Å; T566-P576 WeakPolarHBondContact O-CD 3.28Å; M568-P576 WeakPolarHBondContact O-CD 3.24Å; P576-K579 PolarHBondContact O-N 3.15Å; P576-S580 PolarHBondContact O-N 3.37Å; P576-L589 HydrophobicContact CB-CD1 4.11Å; P576-L589 HydrophobicContact CB-CD2 4.48Å
577L93.2Very high91Very high43 Ų4351.7 Ų51.723%0.22528%0.276CS..Hα-helixtrans-67-41.5176.7-176.464.1000111.6T575 K579 S580 E586 L589 K590T575-L577 PolarHBondContact O-N 3.47Å; T575-L577 PolarHBondContact OG1-N 3.05Å; L577-K579 VanDerWaalsContact C-N 3.27Å; L577-K579 PolarHBondContact O-N 2.96Å; L577-S580 WeakPolarHBondContact O-CB 3.44Å; L577-S580 PolarHBondContact O-N 2.96Å; L577-E586 HydrophobicContact CD1-CB 3.96Å; L577-E586 HydrophobicContact CD1-CG 3.85Å; L577-L589 HydrophobicContact CB-CD1 4.31Å; L577-L589 HydrophobicContact CD1-CD1 4.33Å; L577-K590 HydrophobicContact CD1-CG 4.31Å
578D94.6Very high91Very high99 Ų9951.5 Ų51.553%0.52928%0.275SS..Hα-helixtrans-68.3-27.4176.7-57.6-51.3000112.7K574 T575K574-D578 HydrophobicContact CB-CB 3.9Å; K574-D578 HydrophobicContact CG-CB 4.2Å; T575-D578 WeakPolarHBondContact CB-OD2 3.37Å; T575-D578 PolarHBondContact N-OD2 3Å; T575-D578 PolarHBondContact O-N 3.08Å; T575-D578 VanDerWaalsContact O-N 3.08Å; T575-D578 VanDerWaalsContact OG1-CG 3.24Å; T575-D578 PolarHBondContact OG1-N 3.08Å; T575-D578 PolarHBondContact OG1-OD2 3.23Å
579K93.9Very high91Very high43 Ų4351.4 Ų51.419%0.18727%0.274CS..Hα-helixtrans-84.1-9.6175.4-75.2-67.7-64.3174.30113.4V540 Q541 K574 T575 P576 L577 T581V540-K579 HydrophobicContact CG2-CB 4.25Å; Q541-K579 VanDerWaalsContact CG-O 3.25Å; Q541-K579 WeakPolarHBondContact CG-O 3.36Å; Q541-K579 VanDerWaalsContact NE2-CE 3.32Å; Q541-K579 VanDerWaalsContact OE1-CE 3.24Å; K574-K579 HydrophobicContact CB-CD 4.28Å; K574-K579 HydrophobicContact CB-CG 4Å; K574-K579 HydrophobicContact CD-CD 3.87Å; K574-K579 HydrophobicContact CD-CG 4.44Å; T575-K579 PolarHBondContact O-N 3.2Å; P576-K579 PolarHBondContact O-N 3.15Å; L577-K579 VanDerWaalsContact C-N 3.27Å; L577-K579 PolarHBondContact O-N 2.96Å; K579-T581 PolarHBondContact O-N 2.95Å
580S91.8Very high90.8Very high17 Ų1755.5 Ų55.512%0.11929%0.29CS..  trans-60.4127.9179.6-176.40000110.6P576 L577 T582 S585 E586P576-S580 PolarHBondContact O-N 3.37Å; L577-S580 WeakPolarHBondContact O-CB 3.44Å; L577-S580 PolarHBondContact O-N 2.96Å; S580-T582 PolarHBondContact OG-O 3.04Å; S580-T582 VanDerWaalsContact OG-O 3.05Å; S580-S585 WeakPolarHBondContact OG-CB 3.49Å; S580-S585 PolarHBondContact OG-OG 3.39Å; S580-E586 VanDerWaalsContact OG-CG 3.32Å; S580-E586 WeakPolarHBondContact OG-CG 3.35Å; S580-E586 PolarHBondContact OG-N 3.11Å
581T87.4Confident90.4Very high84 Ų8459.3 Ų59.352%0.51531%0.314SS..  trans-95.3-10.4179.954.80000112.8V540 Q541 K579V540-T581 PolarHBondContact O-N 3.27Å; Q541-T581 WeakPolarHBondContact CA-OG1 3.49Å; Q541-T581 HydrophobicContact CB-CG2 4.16Å; Q541-T581 HydrophobicContact CG-CG2 4.1Å; Q541-T581 PolarHBondContact O-OG1 3.43Å; K579-T581 PolarHBondContact O-N 2.95Å
582T86.5Confident89.8Confident31 Ų3154.3 Ų54.319%0.1929%0.293CS..SBendtrans-137.5149.7-173.879.60000112.5P545 S580 V584 S585 E586P545-T582 HydrophobicContact CG-CG2 3.71Å; P545-T582 WeakPolarHBondContact CG-OG1 3.36Å; S580-T582 PolarHBondContact OG-O 3.04Å; S580-T582 VanDerWaalsContact OG-O 3.05Å; T582-V584 PolarHBondContact O-N 3.22Å; T582-S585 PolarHBondContact O-N 3.28Å; T582-S585 PolarHBondContact O-OG 2.92Å; T582-S585 PolarHBondContact OG1-N 3.38Å; T582-S585 PolarHBondContact OG1-OG 3.18Å; T582-E586 PolarHBondContact O-N 2.97Å
583G85.8Confident88.9Confident44 Ų4453.1 Ų53.145%0.45429%0.288SS..Hα-helixtrans-62.9-27.5176.700000113.3E586 I587G583-E586 PolarHBondContact O-N 3.18Å; G583-I587 WeakPolarHBondContact O-CD1 3.31Å; G583-I587 WeakPolarHBondContact O-CG1 3.28Å; G583-I587 PolarHBondContact O-N 3.24Å
584V87.7Confident88.1Confident37 Ų3757 Ų5722%0.22430%0.3CS..Hα-helixtrans-67.7-48.8178.2177.50000110.9P545 I546 F549 L552 T582 E586 I587 L588P545-V584 HydrophobicContact CB-CB 4.07Å; P545-V584 HydrophobicContact CB-CG1 4.16Å; P545-V584 HydrophobicContact CG-CB 4.4Å; I546-V584 HydrophobicContact CG1-CG2 4.12Å; F549-V584 HydrophobicContact CD2-CG1 3.64Å; F549-V584 HydrophobicContact CE2-CG1 3.78Å; L552-V584 HydrophobicContact CD2-CG1 4.42Å; T582-V584 PolarHBondContact O-N 3.22Å; V584-E586 VanDerWaalsContact C-N 3.3Å; V584-E586 PolarHBondContact O-N 2.94Å; V584-I587 PolarHBondContact O-N 2.73Å; V584-L588 HydrophobicContact CG1-CD1 4.22Å; V584-L588 WeakPolarHBondContact O-CB 3.4Å; V584-L588 WeakPolarHBondContact O-CG 3.24Å; V584-L588 PolarHBondContact O-N 3.21Å
585S87.1Confident86.9Confident1 Ų155.8 Ų55.81%0.00730%0.296CS..Hα-helixtrans-63.1-36.5176.244.10000111.9V540 S580 T582 L588 L589V540-S585 PolarHBondContact O-OG 3.29Å; S580-S585 WeakPolarHBondContact OG-CB 3.49Å; S580-S585 PolarHBondContact OG-OG 3.39Å; T582-S585 PolarHBondContact O-N 3.28Å; T582-S585 PolarHBondContact O-OG 2.92Å; T582-S585 PolarHBondContact OG1-N 3.38Å; T582-S585 PolarHBondContact OG1-OG 3.18Å; S585-L588 PolarHBondContact O-N 3.04Å; S585-L589 WeakPolarHBondContact O-CB 3.44Å; S585-L589 WeakPolarHBondContact O-CG 3.5Å; S585-L589 PolarHBondContact O-N 3.24Å
586E89.4Confident86.4Confident70 Ų7056.9 Ų56.933%0.32731%0.305SS..Hα-helixtrans-61.9-47.1173.1-71.3-173.4-149.500112.7L577 S580 T582 G583 V584 L589 K590L577-E586 HydrophobicContact CD1-CB 3.96Å; L577-E586 HydrophobicContact CD1-CG 3.85Å; S580-E586 VanDerWaalsContact OG-CG 3.32Å; S580-E586 WeakPolarHBondContact OG-CG 3.35Å; S580-E586 PolarHBondContact OG-N 3.11Å; T582-E586 PolarHBondContact O-N 2.97Å; G583-E586 PolarHBondContact O-N 3.18Å; V584-E586 VanDerWaalsContact C-N 3.3Å; V584-E586 PolarHBondContact O-N 2.94Å; E586-L589 PolarHBondContact O-N 2.93Å; E586-K590 WeakPolarHBondContact O-CB 3.49Å; E586-K590 WeakPolarHBondContact O-CG 3.43Å; E586-K590 PolarHBondContact O-N 3.47Å; E586-K590 IonicContact OE2-NZ 3.69Å; E586-K590 PolarHBondContact OE2-NZ 3.36Å
587I88.9Confident85.9Confident110 Ų11063.6 Ų63.656%0.56434%0.34SS*.Hα-helixtrans-62.2-47.3179.5-70.2164000109.4G583 V584 L589 K590 T591G583-I587 WeakPolarHBondContact O-CD1 3.31Å; G583-I587 WeakPolarHBondContact O-CG1 3.28Å; G583-I587 PolarHBondContact O-N 3.24Å; V584-I587 PolarHBondContact O-N 2.73Å; I587-L589 PolarHBondContact O-N 3.37Å; I587-K590 PolarHBondContact O-N 3.14Å; I587-T591 HydrophobicContact CG2-CG2 4.4Å; I587-T591 VanDerWaalsContact O-CG2 3.3Å; I587-T591 WeakPolarHBondContact O-CG2 3.47Å; I587-T591 PolarHBondContact O-N 2.97Å; I587-T591 PolarHBondContact O-OG1 3.19Å
588L87.6Confident85.4Confident11 Ų1168.4 Ų68.46%0.05836%0.359CS..Hα-helixtrans-57.1-52177.8-74.4177.6000111.3F549 L552 H553 I556 V584 S585 K590 T591 Q592F549-L588 HydrophobicContact CD2-CD1 4.43Å; F549-L588 HydrophobicContact CE2-CD1 3.88Å; F549-L588 HydrophobicContact CE2-CD2 3.96Å; F549-L588 HydrophobicContact CE2-CG 4.13Å; F549-L588 HydrophobicContact CZ-CD2 3.94Å; L552-L588 HydrophobicContact CD2-CD1 4Å; L552-L588 HydrophobicContact CG-CD1 3.89Å; H553-L588 HydrophobicContact CB-CD1 4.29Å; H553-L588 HydrophobicContact CB-CD2 4.4Å; H553-L588 WeakPolarHBondContact ND1-CD2 3.11Å; I556-L588 HydrophobicContact CD1-CB 3.96Å; I556-L588 HydrophobicContact CD1-CD1 4.12Å; V584-L588 HydrophobicContact CG1-CD1 4.22Å; V584-L588 WeakPolarHBondContact O-CB 3.4Å; V584-L588 WeakPolarHBondContact O-CG 3.24Å; V584-L588 PolarHBondContact O-N 3.21Å; S585-L588 PolarHBondContact O-N 3.04Å; L588-K590 PolarHBondContact O-N 3.47Å; L588-T591 PolarHBondContact O-N 3.39Å; L588-T591 PolarHBondContact O-OG1 3.29Å; L588-Q592 WeakPolarHBondContact O-CG 3.4Å; L588-Q592 PolarHBondContact O-N 2.9Å
589L88.4Confident85Confident2 Ų263.8 Ų63.81%0.0134%0.335CS..Hα-helixtrans-55.9-53.2175.8-78.3176.3000111.5L536 V540 I556 P576 L577 S585 E586 I587 T591 Q592 M593L536-L589 HydrophobicContact CD1-CD2 3.81Å; L536-L589 HydrophobicContact CD2-CD2 4.12Å; L536-L589 HydrophobicContact CG-CD2 4.08Å; V540-L589 HydrophobicContact CB-CD1 4.28Å; V540-L589 HydrophobicContact CG1-CD1 3.58Å; V540-L589 HydrophobicContact CG1-CD2 3.99Å; V540-L589 HydrophobicContact CG1-CG 3.88Å; I556-L589 HydrophobicContact CG2-CD2 4.39Å; P576-L589 HydrophobicContact CB-CD1 4.11Å; P576-L589 HydrophobicContact CB-CD2 4.48Å; L577-L589 HydrophobicContact CB-CD1 4.31Å; L577-L589 HydrophobicContact CD1-CD1 4.33Å; S585-L589 WeakPolarHBondContact O-CB 3.44Å; S585-L589 WeakPolarHBondContact O-CG 3.5Å; S585-L589 PolarHBondContact O-N 3.24Å; E586-L589 PolarHBondContact O-N 2.93Å; I587-L589 PolarHBondContact O-N 3.37Å; L589-T591 PolarHBondContact O-N 2.96Å; L589-Q592 CarbonylContact O-C 3.46Å; L589-Q592 WeakPolarHBondContact O-CA 3.32Å; L589-Q592 PolarHBondContact O-N 3.46Å; L589-M593 VanDerWaalsContact O-CG 3.3Å; L589-M593 WeakPolarHBondContact O-CG 3.35Å; L589-M593 PolarHBondContact O-N 3.36Å
590K88.3Confident84.6Confident108 Ų10865.8 Ų65.847%0.4735%0.347SS..Hα-helixtrans-56.2-37.2-178.6-74.8167.9-177.51580112.4L577 E586 I587 L588 Q592 M593L577-K590 HydrophobicContact CD1-CG 4.31Å; E586-K590 WeakPolarHBondContact O-CB 3.49Å; E586-K590 WeakPolarHBondContact O-CG 3.43Å; E586-K590 PolarHBondContact O-N 3.47Å; E586-K590 IonicContact OE2-NZ 3.69Å; E586-K590 PolarHBondContact OE2-NZ 3.36Å; I587-K590 PolarHBondContact O-N 3.14Å; L588-K590 PolarHBondContact O-N 3.47Å; K590-Q592 VanDerWaalsContact C-N 3.3Å; K590-Q592 PolarHBondContact O-N 3.01Å; K590-M593 HydrophobicContact CG-SD 4.33Å
591T85.9Confident84.5Confident87 Ų8767.5 Ų67.553%0.53436%0.362SS..Hα-helixtrans-70.5-25.217661.90000113.7I587 L588 L589I587-T591 HydrophobicContact CG2-CG2 4.4Å; I587-T591 VanDerWaalsContact O-CG2 3.3Å; I587-T591 WeakPolarHBondContact O-CG2 3.47Å; I587-T591 PolarHBondContact O-N 2.97Å; I587-T591 PolarHBondContact O-OG1 3.19Å; L588-T591 PolarHBondContact O-N 3.39Å; L588-T591 PolarHBondContact O-OG1 3.29Å; L589-T591 PolarHBondContact O-N 2.96Å
592Q81.1Confident84.5Confident46 Ų4663.7 Ų63.722%0.21534%0.339CS..Hα-helixtrans-97.9-7.9179.6-59.5-47.7-50.300113.8I556 I557 V560 L588 L589 K590 K594I556-Q592 HydrophobicContact CG2-CG 4.29Å; I557-Q592 HydrophobicContact CD1-CG 3.74Å; I557-Q592 VanDerWaalsContact CD1-OE1 3.3Å; V560-Q592 HydrophobicContact CG1-CB 4.34Å; V560-Q592 HydrophobicContact CG2-CB 4.12Å; L588-Q592 WeakPolarHBondContact O-CG 3.4Å; L588-Q592 PolarHBondContact O-N 2.9Å; L589-Q592 CarbonylContact O-C 3.46Å; L589-Q592 WeakPolarHBondContact O-CA 3.32Å; L589-Q592 PolarHBondContact O-N 3.46Å; K590-Q592 VanDerWaalsContact C-N 3.3Å; K590-Q592 PolarHBondContact O-N 3.01Å; Q592-K594 VanDerWaalsContact C-N 3.3Å; Q592-K594 PolarHBondContact O-N 2.87Å
593M75.4Confident84.4Confident75 Ų7568.2 Ų68.237%0.36935%0.353SS..  trans-64.985.6177.2-77.2176.884.700111.2T566 L589 K590 M595T566-M593 HydrophobicContact CG2-CG 4.17Å; L589-M593 VanDerWaalsContact O-CG 3.3Å; L589-M593 WeakPolarHBondContact O-CG 3.35Å; L589-M593 PolarHBondContact O-N 3.36Å; K590-M593 HydrophobicContact CG-SD 4.33Å; M593-M595 HydrophobicContact CE-CE 4.46Å
594K73.9Confident84.5Confident182 Ų18268.3 Ų68.379%0.79135%0.349SS*.  trans-104.6105.1165.1-69.4-180-177.51710107.8Q592 S596Q592-K594 VanDerWaalsContact C-N 3.3Å; Q592-K594 PolarHBondContact O-N 2.87Å; K594-S596 PolarHBondContact O-N 3.5Å
595M71.2Confident84.6Confident55 Ų5568 Ų6827%0.27135%0.347SS..  trans-73126.6-177.4-156.858.861.500110.7D567 M593 C599 L600D567-M595 HydrophobicContact CB-CE 3.93Å; D567-M595 HydrophobicContact CB-SD 4.21Å; M593-M595 HydrophobicContact CE-CE 4.46Å; M595-C599 HydrophobicContact CG-CB 3.86Å; M595-C599 HydrophobicContact SD-CB 3.44Å; M595-C599 WeakPolarHBondContact SD-CB 3.43Å; M595-L600 HydrophobicContact CB-CD2 4.36Å; M595-L600 HydrophobicContact CB-CG 4.29Å; M595-L600 HydrophobicContact CG-CD2 3.77Å; M595-L600 HydrophobicContact CG-CG 3.72Å
596S81.8Confident84.4Confident49 Ų4973.1 Ų73.134%0.34337%0.366SS..  trans-73.8153.4172.785.30000110.5K594 K598 C599 L600K594-S596 PolarHBondContact O-N 3.5Å; S596-K598 PolarHBondContact O-N 3.11Å; S596-K598 PolarHBondContact OG-N 3.04Å; S596-C599 WeakPolarHBondContact O-CB 3.45Å; S596-C599 PolarHBondContact O-N 3.22Å; S596-C599 VanDerWaalsContact O-N 3.15Å; S596-C599 PolarHBondContact OG-N 3.06Å; S596-C599 VanDerWaalsContact OG-N 3.13Å; S596-C599 PolarHBondContact OG-SG 3.42Å; S596-L600 PolarHBondContact O-N 2.78Å
597L84Confident84.3Confident142 Ų14273.6 Ų73.674%0.74338%0.383SS*.Hα-helixtrans-58.6-33.1173.9-178.861.6000111.9L600 A601L597-L600 PolarHBondContact O-N 3.18Å; L597-A601 WeakPolarHBondContact O-CB 3.27Å; L597-A601 PolarHBondContact O-N 3.41Å
598K83.6Confident84.4Confident143 Ų14373.8 Ų73.862%0.62239%0.385SS*.Hα-helixtrans-64-44.8176.4-63.5-176.8-179.6-179.80111.3S596 A601 A602 F623S596-K598 PolarHBondContact O-N 3.11Å; S596-K598 PolarHBondContact OG-N 3.04Å; K598-A601 PolarHBondContact O-N 3.46Å; K598-A602 PolarHBondContact O-N 3.01Å; K598-F623 HydrophobicContact CB-CE1 3.88Å; K598-F623 HydrophobicContact CB-CZ 3.63Å
599C84.7Confident84.4Confident3 Ų380.4 Ų80.42%0.0242%0.42CS..Hα-helixtrans-61.9-45.1175.7-60.70000111.5H565 M595 S596 A601 A602 R603 H627H565-C599 PolarHBondContact ND1-SG 3.37Å; M595-C599 HydrophobicContact CG-CB 3.86Å; M595-C599 HydrophobicContact SD-CB 3.44Å; M595-C599 WeakPolarHBondContact SD-CB 3.43Å; S596-C599 WeakPolarHBondContact O-CB 3.45Å; S596-C599 PolarHBondContact O-N 3.22Å; S596-C599 VanDerWaalsContact O-N 3.15Å; S596-C599 PolarHBondContact OG-N 3.06Å; S596-C599 VanDerWaalsContact OG-N 3.13Å; S596-C599 PolarHBondContact OG-SG 3.42Å; C599-A601 VanDerWaalsContact C-N 3.32Å; C599-A601 PolarHBondContact O-N 2.98Å; C599-A602 PolarHBondContact O-N 3.25Å; C599-R603 WeakPolarHBondContact O-CB 3.4Å; C599-R603 WeakPolarHBondContact O-CG 3.32Å; C599-R603 PolarHBondContact O-N 3.36Å; C599-H627 WeakPolarHBondContact CA-NE2 3.45Å; C599-H627 WeakPolarHBondContact CB-NE2 3.4Å; C599-H627 PolarHBondContact SG-NE2 2.87Å
600L86.7Confident84.6Confident85 Ų8584.5 Ų84.545%0.44544%0.441SS..Hα-helixtrans-60-41.5175.7-71.3173000112.2M595 S596 L597 A604M595-L600 HydrophobicContact CB-CD2 4.36Å; M595-L600 HydrophobicContact CB-CG 4.29Å; M595-L600 HydrophobicContact CG-CD2 3.77Å; M595-L600 HydrophobicContact CG-CG 3.72Å; S596-L600 PolarHBondContact O-N 2.78Å; L597-L600 PolarHBondContact O-N 3.18Å; L600-A604 WeakPolarHBondContact O-CB 3.43Å; L600-A604 PolarHBondContact O-N 3.32Å
601A88.7Confident84.7Confident53 Ų5384.8 Ų84.844%0.43845%0.448SS..Hα-helixtrans-65.7-46177.300000111.9L597 K598 C599 R603 A604 V605L597-A601 WeakPolarHBondContact O-CB 3.27Å; L597-A601 PolarHBondContact O-N 3.41Å; K598-A601 PolarHBondContact O-N 3.46Å; C599-A601 VanDerWaalsContact C-N 3.32Å; C599-A601 PolarHBondContact O-N 2.98Å; A601-R603 VanDerWaalsContact C-N 3.34Å; A601-R603 PolarHBondContact O-N 3.23Å; A601-A604 WeakPolarHBondContact O-CB 3.31Å; A601-A604 PolarHBondContact O-N 3.34Å; A601-A604 VanDerWaalsContact O-N 3.13Å; A601-V605 WeakPolarHBondContact O-CG2 3.49Å; A601-V605 PolarHBondContact O-N 3.12Å
602A87.3Confident84.8Confident3 Ų383.3 Ų83.33%0.02543%0.433CS..Hα-helixtrans-59.8-43.5176.200000111.9K598 C599 A604 V605 R606 F623 V624 H627K598-A602 PolarHBondContact O-N 3.01Å; C599-A602 PolarHBondContact O-N 3.25Å; A602-A604 VanDerWaalsContact C-N 3.33Å; A602-A604 PolarHBondContact O-N 2.94Å; A602-V605 WeakPolarHBondContact O-CB 3.45Å; A602-V605 PolarHBondContact O-N 2.87Å; A602-R606 PolarHBondContact O-N 3.39Å; A602-F623 HydrophobicContact CB-CD1 4.23Å; A602-F623 HydrophobicContact CB-CE1 3.93Å; A602-V624 HydrophobicContact CB-CB 4.44Å; A602-V624 HydrophobicContact CB-CG1 4.48Å; A602-V624 HydrophobicContact CB-CG2 4.08Å; A602-H627 HydrophobicContact CB-CB 3.76Å
603R84.2Confident85.2Confident126 Ų12686.7 Ų86.748%0.47545%0.449SS..Hα-helixtrans-62.3-38.5173.4-73.4179.261.8-171.3-0.6112.8D567 C599 A601 R606 A607 H627D567-R603 WeakPolarHBondContact OD2-CD 3.31Å; C599-R603 WeakPolarHBondContact O-CB 3.4Å; C599-R603 WeakPolarHBondContact O-CG 3.32Å; C599-R603 PolarHBondContact O-N 3.36Å; A601-R603 VanDerWaalsContact C-N 3.34Å; A601-R603 PolarHBondContact O-N 3.23Å; R603-R606 PolarHBondContact O-N 3.04Å; R603-A607 WeakPolarHBondContact O-CB 3.42Å; R603-A607 PolarHBondContact O-N 2.87Å; R603-H627 HydrophobicContact CG-CB 4.42Å
604A89.5Confident85.8Confident46 Ų4690.2 Ų90.238%0.3847%0.469SS..Hα-helixtrans-66.4-38.5176.100000111.7L600 A601 A602 N608L600-A604 WeakPolarHBondContact O-CB 3.43Å; L600-A604 PolarHBondContact O-N 3.32Å; A601-A604 WeakPolarHBondContact O-CB 3.31Å; A601-A604 PolarHBondContact O-N 3.34Å; A601-A604 VanDerWaalsContact O-N 3.13Å; A602-A604 VanDerWaalsContact C-N 3.33Å; A602-A604 PolarHBondContact O-N 2.94Å; A604-N608 WeakPolarHBondContact O-CB 3.37Å; A604-N608 PolarHBondContact O-N 3.16Å; A604-N608 VanDerWaalsContact O-N 3.16Å; A604-N608 PolarHBondContact O-ND2 3.32Å
605V88.3Confident86.6Confident31 Ų3188.4 Ų88.419%0.18846%0.463CS..Hα-helixtrans-58.7-49.8172.9168.40000110.3A601 A602 D609 I610 Y612 V624A601-V605 WeakPolarHBondContact O-CG2 3.49Å; A601-V605 PolarHBondContact O-N 3.12Å; A602-V605 WeakPolarHBondContact O-CB 3.45Å; A602-V605 PolarHBondContact O-N 2.87Å; V605-D609 PolarHBondContact O-N 3.17Å; V605-I610 HydrophobicContact CB-CB 4.47Å; V605-I610 HydrophobicContact CG1-CB 4.09Å; V605-I610 WeakPolarHBondContact CG1-O 3.48Å; V605-I610 PolarHBondContact O-N 2.91Å; V605-Y612 HydrophobicContact CG1-CD1 3.48Å; V605-Y612 VanDerWaalsContact CG1-CD1 3.48Å; V605-Y612 HydrophobicContact CG1-CE1 4.26Å; V605-Y612 HydrophobicContact CG1-CG 4.07Å; V605-V624 HydrophobicContact CB-CG1 4.23Å; V605-V624 HydrophobicContact CG1-CG1 3.76Å
606R82.5Confident87.4Confident108 Ų10888.3 Ų88.341%0.40846%0.464SS..Hα-helixtrans-66.6-44178.4-171.6169.7-174.9-179.38.4113.1N573 A602 R603 N608 D609 H627N573-R606 PolarHBondContact OD1-NH2 2.95Å; N573-R606 VanDerWaalsContact OD1-NH2 3.16Å; A602-R606 PolarHBondContact O-N 3.39Å; R603-R606 PolarHBondContact O-N 3.04Å; R606-N608 PolarHBondContact O-N 3.27Å; R606-D609 PolarHBondContact O-N 3.46Å; R606-H627 WeakPolarHBondContact CD-O 3.3Å; R606-H627 WeakPolarHBondContact CD-OXT 3.35Å; R606-H627 PolarHBondContact NH1-O 2.92Å; R606-H627 PolarHBondContact NH1-OXT 2.9Å
607A87.2Confident87.7Confident81 Ų8189.8 Ų89.867%0.66947%0.472SS*.Hα-helixtrans-67.2-19.5-177.900000113.9R603R603-A607 WeakPolarHBondContact O-CB 3.42Å; R603-A607 PolarHBondContact O-N 2.87Å
608N93Very high87.6Confident113 Ų11393.2 Ų93.260%0.60448%0.475SS*.THydrogen-bonded Turntrans-113.413.2177.8-64.5-87.9000112.4A604 R606 I610A604-N608 WeakPolarHBondContact O-CB 3.37Å; A604-N608 PolarHBondContact O-N 3.16Å; A604-N608 VanDerWaalsContact O-N 3.16Å; A604-N608 PolarHBondContact O-ND2 3.32Å; R606-N608 PolarHBondContact O-N 3.27Å; N608-I610 HydrophobicContact CB-CD1 4.05Å; N608-I610 HydrophobicContact CB-CG1 3.8Å; N608-I610 PolarHBondContact O-N 3.4Å
609D87.7Confident87.4Confident150 Ų15091.9 Ų91.980%0.80248%0.479SS*.THydrogen-bonded Turntrans47.437.4-178.4-63.2-54.4000113.5V605 R606 N611V605-D609 PolarHBondContact O-N 3.17Å; R606-D609 PolarHBondContact O-N 3.46Å; D609-N611 PolarHBondContact O-N 2.89Å
610I91.9Very high87.3Confident89 Ų8995.3 Ų95.346%0.45650%0.497SS..  trans-72121.1-177.9-58.3172.8000107.9V605 N608 Y612V605-I610 HydrophobicContact CB-CB 4.47Å; V605-I610 HydrophobicContact CG1-CB 4.09Å; V605-I610 WeakPolarHBondContact CG1-O 3.48Å; V605-I610 PolarHBondContact O-N 2.91Å; N608-I610 HydrophobicContact CB-CD1 4.05Å; N608-I610 HydrophobicContact CB-CG1 3.8Å; N608-I610 PolarHBondContact O-N 3.4Å; I610-Y612 WeakPolarHBondContact O-CD1 3.37Å; I610-Y612 PolarHBondContact O-N 3.08Å
611N90.4Very high87.4Confident113 Ų11393 Ų9360%0.60448%0.484SS*.  trans-64.8120.9175-174.820.2000110.4D609 Q613D609-N611 PolarHBondContact O-N 2.89Å; N611-Q613 PolarHBondContact OD1-N 3.21Å
612Y88.4Confident86.9Confident56 Ų5697.8 Ų97.822%0.2250%0.497CS..  trans-120.1-14-17965.2-90.4000113.5V605 I610 D614 Q615 I616 E621 V624V605-Y612 HydrophobicContact CG1-CD1 3.48Å; V605-Y612 VanDerWaalsContact CG1-CD1 3.48Å; V605-Y612 HydrophobicContact CG1-CE1 4.26Å; V605-Y612 HydrophobicContact CG1-CG 4.07Å; I610-Y612 WeakPolarHBondContact O-CD1 3.37Å; I610-Y612 PolarHBondContact O-N 3.08Å; Y612-D614 PolarHBondContact O-N 3.28Å; Y612-Q615 WeakPolarHBondContact O-CB 3.23Å; Y612-Q615 PolarHBondContact O-N 3.45Å; Y612-I616 HydrophobicContact CD2-CD1 3.88Å; Y612-I616 HydrophobicContact CD2-CG1 4.41Å; Y612-I616 HydrophobicContact CG-CD1 4.39Å; Y612-I616 PolarHBondContact O-N 3.22Å; Y612-E621 HydrophobicContact CD2-CB 4.37Å; Y612-E621 HydrophobicContact CD2-CG 4.23Å; Y612-E621 HydrophobicContact CE2-CB 4.16Å; Y612-E621 HydrophobicContact CE2-CG 4.47Å; Y612-V624 HydrophobicContact CD1-CG1 3.75Å; Y612-V624 HydrophobicContact CD2-CB 4.09Å; Y612-V624 HydrophobicContact CD2-CG1 4.05Å; Y612-V624 HydrophobicContact CE1-CB 4.48Å; Y612-V624 HydrophobicContact CE1-CG1 3.59Å; Y612-V624 HydrophobicContact CE2-CB 3.9Å; Y612-V624 HydrophobicContact CE2-CG1 3.9Å; Y612-V624 HydrophobicContact CG-CB 4.46Å; Y612-V624 HydrophobicContact CG-CG1 3.97Å
613Q89Confident86.7Confident118 Ų11899.1 Ų99.155%0.55150%0.502SS*.THydrogen-bonded Turntrans-65.1132-179.9-68.2-179.7-11.900110.2N611 Q615N611-Q613 PolarHBondContact OD1-N 3.21Å; Q613-Q615 PolarHBondContact O-N 2.92Å
614D88.5Confident86.8Confident149 Ų14993.8 Ų93.880%0.79748%0.483SS*.THydrogen-bonded Turntrans57.112.4-172.4-56.4-59000114.3Y612 E621Y612-D614 PolarHBondContact O-N 3.28Å; D614-E621 WeakPolarHBondContact CA-OE1 3.33Å; D614-E621 PolarHBondContact N-OE1 3.42Å
615Q90.8Very high86.3Confident143 Ų14393.5 Ų93.567%0.66849%0.485SS*.THydrogen-bonded Turntrans-105.3-21.3176.2-59.2-60.3-53.200112.7Y612 Q613Y612-Q615 WeakPolarHBondContact O-CB 3.23Å; Y612-Q615 PolarHBondContact O-N 3.45Å; Q613-Q615 PolarHBondContact O-N 2.92Å
616I86.9Confident86Confident54 Ų5494 Ų9428%0.27749%0.485SS..SBendtrans-123.2162.6179.267.9179.1000109.8Y612 R618 L620 E621 V624Y612-I616 HydrophobicContact CD2-CD1 3.88Å; Y612-I616 HydrophobicContact CD2-CG1 4.41Å; Y612-I616 HydrophobicContact CG-CD1 4.39Å; Y612-I616 PolarHBondContact O-N 3.22Å; I616-R618 PolarHBondContact O-N 2.93Å; I616-L620 HydrophobicContact CD1-CB 3.78Å; I616-L620 HydrophobicContact CG1-CB 4.21Å; I616-E621 HydrophobicContact CD1-CG 4.15Å; I616-E621 HydrophobicContact CG1-CG 3.63Å; I616-V624 HydrophobicContact CD1-CG2 3.87Å
617P88.6Confident85.7Confident80 Ų8089.4 Ų89.452%0.51947%0.468SS..  trans-51.3134.8171.5-2834.4000111.6T619 L620 E621P617-T619 PolarHBondContact O-N 3.05Å; P617-L620 HydrophobicContact CB-CG 4.48Å; P617-L620 HydrophobicContact CG-CD1 4.31Å; P617-L620 WeakPolarHBondContact O-CA 3.22Å; P617-L620 WeakPolarHBondContact O-CB 3.18Å; P617-L620 PolarHBondContact O-N 3.15Å; P617-E621 PolarHBondContact O-N 3.41Å
618R82.6Confident85.6Confident214 Ų21489.8 Ų89.881%0.80846%0.458SS*.Hα-helixtrans-52.4-32.3-177.7-165.9175.7-177.6-176.60.3114I616 L620 E621I616-R618 PolarHBondContact O-N 2.93Å; R618-L620 VanDerWaalsContact C-N 3.27Å; R618-L620 PolarHBondContact O-N 3.27Å; R618-E621 WeakPolarHBondContact O-CB 3.42Å; R618-E621 PolarHBondContact O-N 3.22Å
619T77.7Confident85.3Confident115 Ų11588.6 Ų88.671%0.70645%0.45SS*.Hα-helixtrans-66.2-26.6174.951.50000113.5P617P617-T619 PolarHBondContact O-N 3.05Å
620L84.3Confident85.1Confident74 Ų7485.2 Ų85.239%0.38743%0.431SS..Hα-helixtrans-87.9-19.7174.1-64.2-178.6000112.7I616 P617 R618 F623 V624I616-L620 HydrophobicContact CD1-CB 3.78Å; I616-L620 HydrophobicContact CG1-CB 4.21Å; P617-L620 HydrophobicContact CB-CG 4.48Å; P617-L620 HydrophobicContact CG-CD1 4.31Å; P617-L620 WeakPolarHBondContact O-CA 3.22Å; P617-L620 WeakPolarHBondContact O-CB 3.18Å; P617-L620 PolarHBondContact O-N 3.15Å; R618-L620 VanDerWaalsContact C-N 3.27Å; R618-L620 PolarHBondContact O-N 3.27Å; L620-F623 WeakPolarHBondContact O-CB 3.46Å; L620-F623 PolarHBondContact O-N 2.82Å; L620-V624 WeakPolarHBondContact O-CG2 3.44Å; L620-V624 PolarHBondContact O-N 3.14Å
621E87.3Confident84.7Confident38 Ų3884.9 Ų84.918%0.17843%0.429CS..Hα-helixtrans-65.6-45175.1-64-178.5168.400111.4Y612 D614 I616 P617 R618 F623 V624 G625Y612-E621 HydrophobicContact CD2-CB 4.37Å; Y612-E621 HydrophobicContact CD2-CG 4.23Å; Y612-E621 HydrophobicContact CE2-CB 4.16Å; Y612-E621 HydrophobicContact CE2-CG 4.47Å; D614-E621 WeakPolarHBondContact CA-OE1 3.33Å; D614-E621 PolarHBondContact N-OE1 3.42Å; I616-E621 HydrophobicContact CD1-CG 4.15Å; I616-E621 HydrophobicContact CG1-CG 3.63Å; P617-E621 PolarHBondContact O-N 3.41Å; R618-E621 WeakPolarHBondContact O-CB 3.42Å; R618-E621 PolarHBondContact O-N 3.22Å; E621-F623 PolarHBondContact O-N 2.83Å; E621-V624 PolarHBondContact O-N 2.91Å; E621-G625 PolarHBondContact O-N 3.1Å
622E79.4Confident84.4Confident153 Ų15383.2 Ų83.272%0.71542%0.418SS*.Hα-helixtrans-59.6-40.3172.8-172.9172.6-170.600110.6G625 F626E622-G625 PolarHBondContact O-N 2.85Å; E622-F626 WeakPolarHBondContact O-CD1 3.39Å; E622-F626 PolarHBondContact O-N 2.86Å
623F82.8Confident84.1Confident31 Ų3185 Ų8514%0.13643%0.432CS..Hα-helixtrans-59.9-48.5175.4-178.3-85.9000113.4H565 K598 A602 L620 E621 G625 F626 H627H565-F623 AromaticContact CE1-CE2 3.55Å; H565-F623 AromaticContact NE2-CE2 3.45Å; H565-F623 WeakPolarHBondContact NE2-CE2 3.12Å; K598-F623 HydrophobicContact CB-CE1 3.88Å; K598-F623 HydrophobicContact CB-CZ 3.63Å; A602-F623 HydrophobicContact CB-CD1 4.23Å; A602-F623 HydrophobicContact CB-CE1 3.93Å; L620-F623 WeakPolarHBondContact O-CB 3.46Å; L620-F623 PolarHBondContact O-N 2.82Å; E621-F623 PolarHBondContact O-N 2.83Å; F623-G625 VanDerWaalsContact C-N 3.32Å; F623-F626 HydrophobicContact CB-CE1 4.14Å; F623-F626 HydrophobicContact CB-CZ 4.45Å; F623-F626 AromaticContact CD2-CE1 3.9Å; F623-F626 HydrophobicContact CD2-CE1 3.9Å; F623-F626 HydrophobicContact CD2-CE2 4.43Å; F623-F626 AromaticContact CD2-CZ 3.46Å; F623-F626 HydrophobicContact CD2-CZ 3.46Å; F623-F626 VanDerWaalsContact CD2-CZ 3.46Å; F623-F626 AromaticContact CE2-CZ 3.84Å; F623-F626 HydrophobicContact CE2-CZ 3.84Å; F623-F626 HydrophobicContact CG-CE1 4.23Å; F623-F626 HydrophobicContact CG-CZ 4.04Å; F623-H627 AromaticContact CD1-CE1 3.97Å; F623-H627 AromaticContact CE1-CE1 3.41Å; F623-H627 VanDerWaalsContact CE1-CE1 3.41Å; F623-H627 WeakPolarHBondContact CE1-CE1 3.36Å; F623-H627 AromaticContact CE1-ND1 3.84Å; F623-H627 AromaticContact CE2-CE1 3.71Å; F623-H627 AromaticContact CZ-CE1 3.27Å; F623-H627 WeakPolarHBondContact CZ-CE1 3.34Å; F623-H627 AromaticContact CZ-NE2 3.95Å; F623-H627 PolarHBondContact O-ND1 3.38Å
624V85.2Confident83.8Confident13 Ų1382.6 Ų82.68%0.07942%0.423CS..Hα-helixtrans-68.1-36.6177.6175.40000110.6A602 V605 Y612 I616 L620 E621 F626 H627A602-V624 HydrophobicContact CB-CB 4.44Å; A602-V624 HydrophobicContact CB-CG1 4.48Å; A602-V624 HydrophobicContact CB-CG2 4.08Å; V605-V624 HydrophobicContact CB-CG1 4.23Å; V605-V624 HydrophobicContact CG1-CG1 3.76Å; Y612-V624 HydrophobicContact CD1-CG1 3.75Å; Y612-V624 HydrophobicContact CD2-CB 4.09Å; Y612-V624 HydrophobicContact CD2-CG1 4.05Å; Y612-V624 HydrophobicContact CE1-CB 4.48Å; Y612-V624 HydrophobicContact CE1-CG1 3.59Å; Y612-V624 HydrophobicContact CE2-CB 3.9Å; Y612-V624 HydrophobicContact CE2-CG1 3.9Å; Y612-V624 HydrophobicContact CG-CB 4.46Å; Y612-V624 HydrophobicContact CG-CG1 3.97Å; I616-V624 HydrophobicContact CD1-CG2 3.87Å; L620-V624 WeakPolarHBondContact O-CG2 3.44Å; L620-V624 PolarHBondContact O-N 3.14Å; E621-V624 PolarHBondContact O-N 2.91Å; V624-F626 VanDerWaalsContact C-N 3.3Å; V624-F626 PolarHBondContact O-N 3.27Å; V624-H627 PolarHBondContact O-N 2.97Å
625G81Confident83.4Confident41 Ų4177.5 Ų77.542%0.42339%0.394SS..Hα-helixtrans-64.4-27.1-177.200000115E621 E622 F623E621-G625 PolarHBondContact O-N 3.1Å; E622-G625 PolarHBondContact O-N 2.85Å; F623-G625 VanDerWaalsContact C-N 3.32Å
626F79.9Confident82.8Confident40 Ų4072.1 Ų72.118%0.17537%0.371CS..Hα-helixtrans-89.8-13.2177.370-119.2000114.7H565 M568 T569 E622 F623 V624H565-F626 HydrophobicContact CB-CE2 4.3Å; H565-F626 AromaticContact CD2-CE2 3.92Å; H565-F626 AromaticContact CD2-CZ 3.69Å; M568-F626 HydrophobicContact CB-CD2 3.81Å; M568-F626 HydrophobicContact CB-CE2 4.04Å; M568-F626 HydrophobicContact CE-CD1 4.12Å; M568-F626 HydrophobicContact CE-CD2 3.82Å; M568-F626 HydrophobicContact CE-CE1 3.9Å; M568-F626 HydrophobicContact CE-CE2 3.59Å; M568-F626 HydrophobicContact CE-CG 4.09Å; M568-F626 HydrophobicContact CE-CZ 3.67Å; M568-F626 HydrophobicContact CG-CB 4.22Å; M568-F626 HydrophobicContact CG-CD2 3.63Å; M568-F626 HydrophobicContact CG-CE2 4.16Å; M568-F626 HydrophobicContact CG-CG 4.09Å; T569-F626 PolarHBondContact N-O 3.05Å; T569-F626 PolarHBondContact OG1-O 3.11Å; E622-F626 WeakPolarHBondContact O-CD1 3.39Å; E622-F626 PolarHBondContact O-N 2.86Å; F623-F626 HydrophobicContact CB-CE1 4.14Å; F623-F626 HydrophobicContact CB-CZ 4.45Å; F623-F626 AromaticContact CD2-CE1 3.9Å; F623-F626 HydrophobicContact CD2-CE1 3.9Å; F623-F626 HydrophobicContact CD2-CE2 4.43Å; F623-F626 AromaticContact CD2-CZ 3.46Å; F623-F626 HydrophobicContact CD2-CZ 3.46Å; F623-F626 VanDerWaalsContact CD2-CZ 3.46Å; F623-F626 AromaticContact CE2-CZ 3.84Å; F623-F626 HydrophobicContact CE2-CZ 3.84Å; F623-F626 HydrophobicContact CG-CE1 4.23Å; F623-F626 HydrophobicContact CG-CZ 4.04Å; V624-F626 VanDerWaalsContact C-N 3.3Å; V624-F626 PolarHBondContact O-N 3.27Å
627H77.6Confident82.4Confident12 Ų1273.7 Ų73.76%0.05638%0.38CS..  trans-87.10170.5-70.684.9000109.9D567 C599 A602 R603 R606 F623 V624D567-H627 IonicContact OD1-CD2 3.77Å; D567-H627 IonicContact OD1-NE2 3.58Å; D567-H627 IonicContact OD2-CD2 3.23Å; D567-H627 PolarHBondContact OD2-CD2 2.7Å; D567-H627 VanDerWaalsContact OD2-CD2 3.23Å; D567-H627 IonicContact OD2-NE2 3.71Å; C599-H627 WeakPolarHBondContact CA-NE2 3.45Å; C599-H627 WeakPolarHBondContact CB-NE2 3.4Å; C599-H627 PolarHBondContact SG-NE2 2.87Å; A602-H627 HydrophobicContact CB-CB 3.76Å; R603-H627 HydrophobicContact CG-CB 4.42Å; R606-H627 WeakPolarHBondContact CD-O 3.3Å; R606-H627 WeakPolarHBondContact CD-OXT 3.35Å; R606-H627 PolarHBondContact NH1-O 2.92Å; R606-H627 PolarHBondContact NH1-OXT 2.9Å; F623-H627 AromaticContact CD1-CE1 3.97Å; F623-H627 AromaticContact CE1-CE1 3.41Å; F623-H627 VanDerWaalsContact CE1-CE1 3.41Å; F623-H627 WeakPolarHBondContact CE1-CE1 3.36Å; F623-H627 AromaticContact CE1-ND1 3.84Å; F623-H627 AromaticContact CE2-CE1 3.71Å; F623-H627 AromaticContact CZ-CE1 3.27Å; F623-H627 WeakPolarHBondContact CZ-CE1 3.34Å; F623-H627 AromaticContact CZ-NE2 3.95Å; F623-H627 PolarHBondContact O-ND1 3.38Å; V624-H627 PolarHBondContact O-N 2.97Å

Retrieved 627 of 627 residues in 507.9 ms (Link to these results)

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