A0A096N391_PAPAN Loading...

43 kDa receptor-associated protein of the synapse

Postsynaptic protein required for clustering of nicotinic acetylcholine receptors (nAChRs) at the neuromuscular junction. It may link the receptor to the underlying postsynaptic cytoskeleton, possibly by direct association with actin or spectrin.

AlphaFold DB (A0A2K5ZHM1), UniProt , Accession A0A096N391, Species PAPAN (Papio anubis, Olive baboon), Gene RAPSN, Length 412 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
1M54.5Low79.6Confident208 Ų20895.7 Ų95.7100%1.02548%0.482SS*.  0-46.50-78.9-161.8-7800113.6Q5M1-Q5 PolarHBondContact O-N 3.39Å
2G61.3Low80.8Confident48 Ų4896.8 Ų96.850%0.49548%0.481SS..Hα-helixtrans-69.6-32.9-177.100000117T6G2-T6 PolarHBondContact O-N 3.4Å; G2-T6 PolarHBondContact O-OG1 3.5Å
3Q63.6Low81.7Confident140 Ų14089.3 Ų89.365%0.65444%0.444SS*.Hα-helixtrans-69-43.2178.1-78177-21.800112.6Q5 T6 K7Q3-Q5 VanDerWaalsContact C-N 3.31Å; Q3-Q5 PolarHBondContact O-N 3.16Å; Q3-T6 WeakPolarHBondContact O-CB 3.29Å; Q3-T6 PolarHBondContact O-N 3.18Å; Q3-K7 PolarHBondContact O-N 3.37Å
4D75.3Confident82.5Confident111 Ų11187.7 Ų87.759%0.59444%0.437SS*.Hα-helixtrans-62.7-39175.5-72.3-36.5000112K7 Q8D4-K7 PolarHBondContact O-N 3.36Å; D4-Q8 WeakPolarHBondContact O-CG 3.43Å; D4-Q8 PolarHBondContact O-N 3.02Å
5Q82.9Confident83.1Confident125 Ų12590.5 Ų90.558%0.58445%0.449SS*.Hα-helixtrans-65.3-39.9175.9-168.4177.31300111.8M1 Q3 Q8 Q9M1-Q5 PolarHBondContact O-N 3.39Å; Q3-Q5 VanDerWaalsContact C-N 3.31Å; Q3-Q5 PolarHBondContact O-N 3.16Å; Q5-Q8 PolarHBondContact O-N 3.13Å; Q5-Q9 WeakPolarHBondContact O-CG 3.31Å; Q5-Q9 PolarHBondContact O-N 3.41Å; Q5-Q9 VanDerWaalsContact O-N 3.12Å
6T86.1Confident83.7Confident11 Ų1186.8 Ų86.87%0.06743%0.431CS..Hα-helixtrans-60.9-48.8175.9-62.40000110.6G2 Q3 Q8 Q9 I10 V32 S36G2-T6 PolarHBondContact O-N 3.4Å; G2-T6 PolarHBondContact O-OG1 3.5Å; Q3-T6 WeakPolarHBondContact O-CB 3.29Å; Q3-T6 PolarHBondContact O-N 3.18Å; T6-Q8 PolarHBondContact O-N 3.04Å; T6-Q9 PolarHBondContact O-N 3.1Å; T6-I10 HydrophobicContact CG2-CD1 4.09Å; T6-I10 WeakPolarHBondContact O-CG1 3.26Å; T6-I10 PolarHBondContact O-N 3.34Å; T6-I10 VanDerWaalsContact O-N 3.08Å; T6-V32 HydrophobicContact CG2-CG1 3.78Å; T6-S36 PolarHBondContact OG1-OG 3.3Å
7K87.4Confident84Confident116 Ų11684 Ų8450%0.50441%0.414SS..Hα-helixtrans-59.4-45178.5-172.6179.9174-1730112.5Q3 D4 Q9 I10 E11Q3-K7 PolarHBondContact O-N 3.37Å; D4-K7 PolarHBondContact O-N 3.36Å; K7-Q9 VanDerWaalsContact C-N 3.34Å; K7-Q9 PolarHBondContact O-N 3.11Å; K7-I10 WeakPolarHBondContact O-CB 3.46Å; K7-I10 PolarHBondContact O-N 3.04Å; K7-E11 VanDerWaalsContact CE-OE1 3.24Å; K7-E11 WeakPolarHBondContact CE-OE1 3.24Å; K7-E11 PolarHBondContact O-N 3.32Å
8Q89Confident84.1Confident122 Ų12287.9 Ų87.957%0.5743%0.432SS*.Hα-helixtrans-61.5-39.1177.3-73.6175.51.500112.8D4 Q5 T6 K12D4-Q8 WeakPolarHBondContact O-CG 3.43Å; D4-Q8 PolarHBondContact O-N 3.02Å; Q5-Q8 PolarHBondContact O-N 3.13Å; T6-Q8 PolarHBondContact O-N 3.04Å; Q8-K12 WeakPolarHBondContact O-CB 3.48Å; Q8-K12 PolarHBondContact O-N 3.02Å
9Q91.3Very high84.3Confident64 Ų6486.6 Ų86.630%0.29943%0.432SS..Hα-helixtrans-68.5-36.2176.5-66.9-53.8-53.900112.1Q5 T6 K7 K12 G13 V28 V32Q5-Q9 WeakPolarHBondContact O-CG 3.31Å; Q5-Q9 PolarHBondContact O-N 3.41Å; Q5-Q9 VanDerWaalsContact O-N 3.12Å; T6-Q9 PolarHBondContact O-N 3.1Å; K7-Q9 VanDerWaalsContact C-N 3.34Å; K7-Q9 PolarHBondContact O-N 3.11Å; Q9-K12 PolarHBondContact O-N 3.25Å; Q9-G13 PolarHBondContact O-N 3.48Å; Q9-V28 HydrophobicContact CB-CG1 4.13Å; Q9-V28 WeakPolarHBondContact O-CG1 3.47Å; Q9-V32 HydrophobicContact CB-CG2 3.49Å; Q9-V32 VanDerWaalsContact CB-CG2 3.49Å; Q9-V32 HydrophobicContact CG-CG2 4.3Å
10I91.4Very high84.2Confident15 Ų1587.9 Ų87.98%0.07744%0.44CS..Hα-helixtrans-61.4-49.6175.1-65.1170.2000110.3T6 K7 K12 G13 L14 R44 V45T6-I10 HydrophobicContact CG2-CD1 4.09Å; T6-I10 WeakPolarHBondContact O-CG1 3.26Å; T6-I10 PolarHBondContact O-N 3.34Å; T6-I10 VanDerWaalsContact O-N 3.08Å; K7-I10 WeakPolarHBondContact O-CB 3.46Å; K7-I10 PolarHBondContact O-N 3.04Å; I10-K12 PolarHBondContact O-N 3.29Å; I10-G13 PolarHBondContact O-N 3.38Å; I10-G13 VanDerWaalsContact O-N 3.15Å; I10-L14 HydrophobicContact CG2-CD1 4.22Å; I10-L14 WeakPolarHBondContact O-CG 3.43Å; I10-L14 PolarHBondContact O-N 3.14Å; I10-R44 HydrophobicContact CD1-CB 4.49Å; I10-V45 HydrophobicContact CD1-CG2 3.9Å; I10-V45 HydrophobicContact CG1-CG2 3.54Å
11E92.9Very high84.4Confident93 Ų9387.4 Ų87.444%0.43544%0.437SS..Hα-helixtrans-61.4-42.6178.6-72172.2-170.800111.8K7 G13 L14 Q15K7-E11 VanDerWaalsContact CE-OE1 3.24Å; K7-E11 WeakPolarHBondContact CE-OE1 3.24Å; K7-E11 PolarHBondContact O-N 3.32Å; E11-G13 VanDerWaalsContact C-N 3.33Å; E11-G13 PolarHBondContact O-N 2.58Å; E11-L14 PolarHBondContact O-N 3.26Å; E11-Q15 WeakPolarHBondContact O-CG 3.31Å; E11-Q15 PolarHBondContact O-N 3.33Å
12K93.3Very high86Confident108 Ų10879 Ų7947%0.4740%0.397SS..Hα-helixtrans-59-43.6173.2-177.3-179.9-180178.70111.9Q8 Q9 I10 Q15 L16Q8-K12 WeakPolarHBondContact O-CB 3.48Å; Q8-K12 PolarHBondContact O-N 3.02Å; Q9-K12 PolarHBondContact O-N 3.25Å; I10-K12 PolarHBondContact O-N 3.29Å; K12-Q15 PolarHBondContact O-N 2.96Å; K12-L16 HydrophobicContact CG-CD1 4.33Å; K12-L16 WeakPolarHBondContact O-CG 3.49Å; K12-L16 PolarHBondContact O-N 2.9Å
13G93.5Very high87.5Confident0 Ų081 Ų810%039%0.394CS..Hα-helixtrans-61.2-43.1175.900000112.1Q9 I10 E11 Q15 L16 Y17 A25Q9-G13 PolarHBondContact O-N 3.48Å; I10-G13 PolarHBondContact O-N 3.38Å; I10-G13 VanDerWaalsContact O-N 3.15Å; E11-G13 VanDerWaalsContact C-N 3.33Å; E11-G13 PolarHBondContact O-N 2.58Å; G13-Q15 PolarHBondContact O-N 2.98Å; G13-L16 PolarHBondContact O-N 3.09Å; G13-Y17 WeakPolarHBondContact O-CB 3.37Å; G13-Y17 PolarHBondContact O-N 3.31Å; G13-A25 VanDerWaalsContact O-CB 3.27Å; G13-A25 WeakPolarHBondContact O-CB 3.11Å
14L92.3Very high89Confident67 Ų6779.9 Ų79.935%0.35139%0.386SS..Hα-helixtrans-62.7-41.7176.8-71.5168.2000112.6I10 E11 Y17 Q18 W29I10-L14 HydrophobicContact CG2-CD1 4.22Å; I10-L14 WeakPolarHBondContact O-CG 3.43Å; I10-L14 PolarHBondContact O-N 3.14Å; E11-L14 PolarHBondContact O-N 3.26Å; L14-Y17 WeakPolarHBondContact O-CB 3.5Å; L14-Y17 PolarHBondContact O-N 3.5Å; L14-Q18 VanDerWaalsContact O-CG 3.32Å; L14-Q18 WeakPolarHBondContact O-CG 3.47Å; L14-Q18 PolarHBondContact O-N 3.1Å; L14-W29 HydrophobicContact CD2-CZ2 3.97Å; L14-W29 HydrophobicContact CG-CZ2 4.22Å
15Q92.3Very high89.9Confident130 Ų13074.6 Ų74.661%0.60736%0.358SS*.Hα-helixtrans-64.2-40.8175.7-71175.5-3.900112.3E11 K12 G13 Y17 Q18 S19E11-Q15 WeakPolarHBondContact O-CG 3.31Å; E11-Q15 PolarHBondContact O-N 3.33Å; K12-Q15 PolarHBondContact O-N 2.96Å; G13-Q15 PolarHBondContact O-N 2.98Å; Q15-Y17 VanDerWaalsContact C-N 3.31Å; Q15-Q18 PolarHBondContact O-N 3.25Å; Q15-S19 WeakPolarHBondContact O-CB 3.4Å; Q15-S19 PolarHBondContact O-N 3.36Å; Q15-S19 VanDerWaalsContact O-N 3.07Å; Q15-S19 PolarHBondContact O-OG 2.89Å
16L92.5Very high90.5Very high30 Ų3069.1 Ų69.116%0.15733%0.333CS..Hα-helixtrans-63.5-39.9174-71.9169.8000111.3K12 G13 S19 Q21 K24 A25 V28K12-L16 HydrophobicContact CG-CD1 4.33Å; K12-L16 WeakPolarHBondContact O-CG 3.49Å; K12-L16 PolarHBondContact O-N 2.9Å; G13-L16 PolarHBondContact O-N 3.09Å; L16-S19 WeakPolarHBondContact CA-OG 3.25Å; L16-S19 PolarHBondContact O-N 2.65Å; L16-S19 PolarHBondContact O-OG 3.48Å; L16-Q21 HydrophobicContact CB-CB 4.36Å; L16-Q21 HydrophobicContact CD2-CB 4.15Å; L16-Q21 CarbonylContact O-C 3.59Å; L16-Q21 WeakPolarHBondContact O-CA 3.18Å; L16-Q21 WeakPolarHBondContact O-CB 3.14Å; L16-Q21 PolarHBondContact O-N 3.36Å; L16-K24 HydrophobicContact CD1-CB 4.08Å; L16-K24 HydrophobicContact CD2-CB 4.49Å; L16-A25 HydrophobicContact CB-CB 3.91Å; L16-V28 HydrophobicContact CD1-CG2 3.94Å
17Y89.1Confident91Very high40 Ų4074.1 Ų74.116%0.15736%0.355CS..Hα-helixtrans-63.4-47.6177.1-168.2-101.5000111.9G13 L14 Q15 S19 N20 T22 A25 W29 A52 E55G13-Y17 WeakPolarHBondContact O-CB 3.37Å; G13-Y17 PolarHBondContact O-N 3.31Å; L14-Y17 WeakPolarHBondContact O-CB 3.5Å; L14-Y17 PolarHBondContact O-N 3.5Å; Q15-Y17 VanDerWaalsContact C-N 3.31Å; Y17-S19 PolarHBondContact O-N 3.28Å; Y17-N20 PolarHBondContact O-N 3.3Å; Y17-N20 VanDerWaalsContact O-N 3.07Å; Y17-T22 HydrophobicContact CD2-CG2 4.03Å; Y17-T22 HydrophobicContact CE2-CG2 3.77Å; Y17-A25 HydrophobicContact CD2-CB 4.37Å; Y17-W29 AromaticContact CD2-CH2 3.79Å; Y17-W29 HydrophobicContact CD2-CH2 3.79Å; Y17-W29 HydrophobicContact CD2-CZ3 4.03Å; Y17-W29 AromaticContact CG-CH2 3.82Å; Y17-W29 HydrophobicContact CG-CH2 3.82Å; Y17-A52 HydrophobicContact CD2-CB 4.26Å; Y17-A52 HydrophobicContact CE2-CB 3.5Å; Y17-A52 VanDerWaalsContact CE2-CB 3.5Å; Y17-A52 WeakPolarHBondContact OH-CA 3.47Å; Y17-E55 PolarHBondContact OH-OE2 3.09Å
18Q85.7Confident91.4Very high155 Ų15569.4 Ų69.472%0.72434%0.336SS*.Hα-helixtrans-64.4-25177.7-71.7172.7-6.300113.3L14 Q15 N20L14-Q18 VanDerWaalsContact O-CG 3.32Å; L14-Q18 WeakPolarHBondContact O-CG 3.47Å; L14-Q18 PolarHBondContact O-N 3.1Å; Q15-Q18 PolarHBondContact O-N 3.25Å; Q18-N20 VanDerWaalsContact C-N 3.29Å; Q18-N20 PolarHBondContact O-N 3.45Å
19S86.4Confident91.7Very high62 Ų6263.7 Ų63.743%0.43431%0.31SS..THydrogen-bonded Turntrans-90.417.7175.256.40000113.6Q15 L16 Y17 Q21Q15-S19 WeakPolarHBondContact O-CB 3.4Å; Q15-S19 PolarHBondContact O-N 3.36Å; Q15-S19 VanDerWaalsContact O-N 3.07Å; Q15-S19 PolarHBondContact O-OG 2.89Å; L16-S19 WeakPolarHBondContact CA-OG 3.25Å; L16-S19 PolarHBondContact O-N 2.65Å; L16-S19 PolarHBondContact O-OG 3.48Å; Y17-S19 PolarHBondContact O-N 3.28Å; S19-Q21 PolarHBondContact O-N 2.81Å; S19-Q21 VanDerWaalsContact O-N 3.15Å
20N83.8Confident92Very high112 Ų11264 Ų6460%0.59931%0.312SS*.THydrogen-bonded Turntrans58.119.7-177.2-68.1-19.2000114.4Y17 Q18 T22Y17-N20 PolarHBondContact O-N 3.3Å; Y17-N20 VanDerWaalsContact O-N 3.07Å; Q18-N20 VanDerWaalsContact C-N 3.29Å; Q18-N20 PolarHBondContact O-N 3.45Å; N20-T22 PolarHBondContact O-N 2.98Å
21Q88Confident92.1Very high79 Ų7968.9 Ų68.937%0.36933%0.332SS..  trans-91.551.6173.3-59.1-172.63800110.5L16 S19 E23 K24 A25L16-Q21 HydrophobicContact CB-CB 4.36Å; L16-Q21 HydrophobicContact CD2-CB 4.15Å; L16-Q21 CarbonylContact O-C 3.59Å; L16-Q21 WeakPolarHBondContact O-CA 3.18Å; L16-Q21 WeakPolarHBondContact O-CB 3.14Å; L16-Q21 PolarHBondContact O-N 3.36Å; S19-Q21 PolarHBondContact O-N 2.81Å; S19-Q21 VanDerWaalsContact O-N 3.15Å; Q21-E23 PolarHBondContact O-N 3.1Å; Q21-K24 HydrophobicContact CB-CB 4.42Å; Q21-K24 HydrophobicContact CB-CD 4.41Å; Q21-K24 PolarHBondContact O-N 2.64Å; Q21-A25 PolarHBondContact O-N 3.45Å
22T88.8Confident92.1Very high32 Ų3264.8 Ų64.820%0.19631%0.314CS..Hα-helixtrans-55.4-47.4-168.9-52.30000113.1Y17 N20 K24 A25 L26 M56Y17-T22 HydrophobicContact CD2-CG2 4.03Å; Y17-T22 HydrophobicContact CE2-CG2 3.77Å; N20-T22 PolarHBondContact O-N 2.98Å; T22-K24 VanDerWaalsContact C-N 3.28Å; T22-K24 PolarHBondContact O-N 3.03Å; T22-A25 WeakPolarHBondContact O-CA 3.46Å; T22-A25 WeakPolarHBondContact O-CB 3.35Å; T22-A25 PolarHBondContact O-N 3.17Å; T22-L26 HydrophobicContact CG2-CG 4.47Å; T22-L26 WeakPolarHBondContact O-CG 3.35Å; T22-L26 PolarHBondContact O-N 3Å; T22-M56 HydrophobicContact CG2-CE 4.12Å; T22-M56 HydrophobicContact CG2-CG 4.29Å; T22-M56 HydrophobicContact CG2-SD 3.65Å
23E92.1Very high92.1Very high90 Ų9060.7 Ų60.742%0.42130%0.297SS..Hα-helixtrans-62.1-34.7180-68.5-64.5166.100112.7Q21 Q27 M56 R58Q21-E23 PolarHBondContact O-N 3.1Å; E23-Q27 WeakPolarHBondContact O-CG 3.48Å; E23-Q27 PolarHBondContact O-N 3.23Å; E23-Q27 VanDerWaalsContact O-N 3.08Å; E23-M56 VanDerWaalsContact OE1-CE 3.32Å; E23-M56 WeakPolarHBondContact OE1-CE 3.47Å; E23-R58 IonicContact OE1-CZ 2.97Å; E23-R58 VanDerWaalsContact OE1-CZ 3.31Å; E23-R58 IonicContact OE1-NH1 2.82Å; E23-R58 PolarHBondContact OE1-NH1 3.03Å; E23-R58 IonicContact OE1-NH2 3.03Å; E23-R58 PolarHBondContact OE1-NH2 3.04Å; E23-R58 IonicContact OE2-NH1 2.89Å
24K94.1Very high92Very high115 Ų11567.4 Ų67.450%0.533%0.328SS..Hα-helixtrans-71.5-37.6174.6-62.5-174.7-167.51660111.5L16 Q21 T22 Q27 V28L16-K24 HydrophobicContact CD1-CB 4.08Å; L16-K24 HydrophobicContact CD2-CB 4.49Å; Q21-K24 HydrophobicContact CB-CB 4.42Å; Q21-K24 HydrophobicContact CB-CD 4.41Å; Q21-K24 PolarHBondContact O-N 2.64Å; T22-K24 VanDerWaalsContact C-N 3.28Å; T22-K24 PolarHBondContact O-N 3.03Å; K24-Q27 PolarHBondContact O-N 3.33Å; K24-V28 WeakPolarHBondContact O-CG2 3.44Å; K24-V28 PolarHBondContact O-N 3.37Å
25A95.2Very high91.8Very high0 Ų072.4 Ų72.40%035%0.347CS..Hα-helixtrans-59.9-46.8173.800000110.9G13 L16 Y17 Q21 T22 Q27 V28 W29G13-A25 VanDerWaalsContact O-CB 3.27Å; G13-A25 WeakPolarHBondContact O-CB 3.11Å; L16-A25 HydrophobicContact CB-CB 3.91Å; Y17-A25 HydrophobicContact CD2-CB 4.37Å; Q21-A25 PolarHBondContact O-N 3.45Å; T22-A25 WeakPolarHBondContact O-CA 3.46Å; T22-A25 WeakPolarHBondContact O-CB 3.35Å; T22-A25 PolarHBondContact O-N 3.17Å; A25-Q27 VanDerWaalsContact C-N 3.34Å; A25-Q27 PolarHBondContact O-N 3.25Å; A25-V28 PolarHBondContact O-N 3.23Å; A25-W29 HydrophobicContact CB-CE3 4.33Å; A25-W29 HydrophobicContact CB-CH2 4.1Å; A25-W29 HydrophobicContact CB-CZ2 4.44Å; A25-W29 HydrophobicContact CB-CZ3 4.03Å; A25-W29 PolarHBondContact O-N 3.29Å
26L95.6Very high91.7Very high11 Ų1167.1 Ų67.16%0.05832%0.324CS..Hα-helixtrans-56.8-46175.2-63.8-178.8000111.5T22 V28 W29 M30 L49 A52 M56T22-L26 HydrophobicContact CG2-CG 4.47Å; T22-L26 WeakPolarHBondContact O-CG 3.35Å; T22-L26 PolarHBondContact O-N 3Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 3.02Å; L26-W29 HydrophobicContact CD2-CE3 4.17Å; L26-W29 HydrophobicContact CD2-CZ3 4.32Å; L26-W29 PolarHBondContact O-N 3.03Å; L26-M30 WeakPolarHBondContact O-CB 3.45Å; L26-M30 VanDerWaalsContact O-CG 3.28Å; L26-M30 WeakPolarHBondContact O-CG 3.35Å; L26-M30 PolarHBondContact O-N 3.45Å; L26-L49 HydrophobicContact CD2-CD2 3.54Å; L26-A52 HydrophobicContact CD2-CB 3.82Å; L26-M56 HydrophobicContact CD1-CE 4.28Å; L26-M56 HydrophobicContact CD1-SD 3.95Å
27Q95.7Very high91.4Very high115 Ų11571.2 Ų71.254%0.53736%0.356SS..Hα-helixtrans-61.4-39.1177.7-72.8174.88.900113.2E23 K24 A25 K31E23-Q27 WeakPolarHBondContact O-CG 3.48Å; E23-Q27 PolarHBondContact O-N 3.23Å; E23-Q27 VanDerWaalsContact O-N 3.08Å; K24-Q27 PolarHBondContact O-N 3.33Å; A25-Q27 VanDerWaalsContact C-N 3.34Å; A25-Q27 PolarHBondContact O-N 3.25Å; Q27-K31 WeakPolarHBondContact O-CG 3.41Å; Q27-K31 PolarHBondContact O-N 2.96Å
28V95.8Very high91.5Very high17 Ų1771 Ų7110%0.10336%0.358CS..Hα-helixtrans-65.9-47.3177171.90000110.2Q9 L16 K24 A25 L26 K31 V32Q9-V28 HydrophobicContact CB-CG1 4.13Å; Q9-V28 WeakPolarHBondContact O-CG1 3.47Å; L16-V28 HydrophobicContact CD1-CG2 3.94Å; K24-V28 WeakPolarHBondContact O-CG2 3.44Å; K24-V28 PolarHBondContact O-N 3.37Å; A25-V28 PolarHBondContact O-N 3.23Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 3.02Å; V28-K31 PolarHBondContact O-N 3.4Å; V28-V32 PolarHBondContact O-N 3.13Å
29W96.6Very high91.8Very high3 Ų366.1 Ų66.11%0.01134%0.336CS..Hα-helixtrans-62.6-43.7178.2-73.6-24.9000112.9L14 Y17 A25 L26 K31 V32 L33 V45 C48 L49 A52L14-W29 HydrophobicContact CD2-CZ2 3.97Å; L14-W29 HydrophobicContact CG-CZ2 4.22Å; Y17-W29 AromaticContact CD2-CH2 3.79Å; Y17-W29 HydrophobicContact CD2-CH2 3.79Å; Y17-W29 HydrophobicContact CD2-CZ3 4.03Å; Y17-W29 AromaticContact CG-CH2 3.82Å; Y17-W29 HydrophobicContact CG-CH2 3.82Å; A25-W29 HydrophobicContact CB-CE3 4.33Å; A25-W29 HydrophobicContact CB-CH2 4.1Å; A25-W29 HydrophobicContact CB-CZ2 4.44Å; A25-W29 HydrophobicContact CB-CZ3 4.03Å; A25-W29 PolarHBondContact O-N 3.29Å; L26-W29 HydrophobicContact CD2-CE3 4.17Å; L26-W29 HydrophobicContact CD2-CZ3 4.32Å; L26-W29 PolarHBondContact O-N 3.03Å; W29-K31 VanDerWaalsContact C-N 3.32Å; W29-K31 PolarHBondContact O-N 3.36Å; W29-V32 WeakPolarHBondContact O-CB 3.3Å; W29-V32 PolarHBondContact O-N 3.05Å; W29-L33 PolarHBondContact O-N 3.19Å; W29-V45 HydrophobicContact CB-CG1 3.56Å; W29-V45 HydrophobicContact CG-CG1 3.99Å; W29-V45 WeakPolarHBondContact O-CG1 3.48Å; W29-C48 HydrophobicContact CD2-CB 3.98Å; W29-C48 HydrophobicContact CE3-CB 4.12Å; W29-C48 HydrophobicContact CH2-CB 3.87Å; W29-C48 HydrophobicContact CZ2-CB 3.72Å; W29-C48 HydrophobicContact CZ3-CB 4.07Å; W29-L49 HydrophobicContact CB-CD1 4.44Å; W29-L49 HydrophobicContact CB-CD2 3.98Å; W29-L49 HydrophobicContact CB-CG 4.15Å; W29-L49 HydrophobicContact CE3-CD2 3.97Å; W29-L49 HydrophobicContact CE3-CG 4.37Å; W29-A52 HydrophobicContact CZ3-CB 4.01Å
30M96.1Very high92.2Very high69 Ų6966.3 Ų66.334%0.3433%0.331SS..Hα-helixtrans-59.5-41.2175.1-73.2-59.9-63.200112.2L26 V32 L33 E34 L49 F65L26-M30 WeakPolarHBondContact O-CB 3.45Å; L26-M30 VanDerWaalsContact O-CG 3.28Å; L26-M30 WeakPolarHBondContact O-CG 3.35Å; L26-M30 PolarHBondContact O-N 3.45Å; M30-V32 VanDerWaalsContact C-N 3.28Å; M30-V32 PolarHBondContact O-N 2.96Å; M30-L33 PolarHBondContact O-N 3.16Å; M30-L33 VanDerWaalsContact O-N 3.13Å; M30-L33 HydrophobicContact SD-CD1 4.29Å; M30-E34 WeakPolarHBondContact O-CG 3.4Å; M30-E34 PolarHBondContact O-N 3.39Å; M30-L49 HydrophobicContact SD-CD1 4.13Å; M30-F65 HydrophobicContact SD-CE1 3.81Å; M30-F65 HydrophobicContact SD-CZ 3.73Å
31K94.1Very high92.6Very high118 Ų11861.1 Ų61.151%0.51330%0.304SS..Hα-helixtrans-62.4-34.1174.9-74.6173.3-177.9176.70112.8Q27 V28 W29 E34 K35Q27-K31 WeakPolarHBondContact O-CG 3.41Å; Q27-K31 PolarHBondContact O-N 2.96Å; V28-K31 PolarHBondContact O-N 3.4Å; W29-K31 VanDerWaalsContact C-N 3.32Å; W29-K31 PolarHBondContact O-N 3.36Å; K31-E34 PolarHBondContact O-N 3.04Å; K31-K35 WeakPolarHBondContact O-CB 3.47Å; K31-K35 WeakPolarHBondContact O-CG 3.35Å; K31-K35 PolarHBondContact O-N 3.46Å; K31-K35 VanDerWaalsContact O-N 3.1Å
32V93.1Very high92.9Very high8 Ų860 Ų605%0.04830%0.296CS..Hα-helixtrans-66.3-43.1174.3175.90000110.4T6 Q9 V28 W29 M30 E34 K35 S36 V45T6-V32 HydrophobicContact CG2-CG1 3.78Å; Q9-V32 HydrophobicContact CB-CG2 3.49Å; Q9-V32 VanDerWaalsContact CB-CG2 3.49Å; Q9-V32 HydrophobicContact CG-CG2 4.3Å; V28-V32 PolarHBondContact O-N 3.13Å; W29-V32 WeakPolarHBondContact O-CB 3.3Å; W29-V32 PolarHBondContact O-N 3.05Å; M30-V32 VanDerWaalsContact C-N 3.28Å; M30-V32 PolarHBondContact O-N 2.96Å; V32-E34 VanDerWaalsContact C-N 3.3Å; V32-E34 PolarHBondContact O-N 2.82Å; V32-K35 PolarHBondContact O-N 3.4Å; V32-S36 WeakPolarHBondContact O-CB 3.48Å; V32-S36 PolarHBondContact O-N 3.11Å; V32-V45 HydrophobicContact CB-CG2 4.08Å; V32-V45 HydrophobicContact CG1-CG2 3.76Å
33L92.9Very high93.2Very high21 Ų2158.7 Ų58.711%0.1129%0.288CS..Hα-helixtrans-65.1-29.6176.2-66.8-177.2000113.8W29 M30 R42 V45 L46 L49 F65W29-L33 PolarHBondContact O-N 3.19Å; M30-L33 PolarHBondContact O-N 3.16Å; M30-L33 VanDerWaalsContact O-N 3.13Å; M30-L33 HydrophobicContact SD-CD1 4.29Å; L33-R42 HydrophobicContact CD2-CB 4.1Å; L33-R42 HydrophobicContact CD2-CG 4.39Å; L33-R42 PolarHBondContact O-NH1 3.14Å; L33-V45 HydrophobicContact CD1-CG1 4.19Å; L33-V45 HydrophobicContact CD2-CB 4.05Å; L33-V45 HydrophobicContact CD2-CG1 3.85Å; L33-V45 HydrophobicContact CG-CB 4.43Å; L33-V45 HydrophobicContact CG-CG1 3.7Å; L33-L46 HydrophobicContact CD1-CD2 3.7Å; L33-L46 HydrophobicContact CD1-CG 4.33Å; L33-L46 HydrophobicContact CD2-CD1 4.44Å; L33-L46 HydrophobicContact CD2-CD2 4.09Å; L33-L46 HydrophobicContact CD2-CG 3.86Å; L33-L49 HydrophobicContact CD1-CD1 3.36Å; L33-L49 HydrophobicContact CG-CD1 4.33Å; L33-F65 HydrophobicContact CD1-CE1 4.33Å
34E91.4Very high93.4Very high141 Ų14160.9 Ų60.966%0.65929%0.292SS*.Hα-helixtrans-79.6-37.5178-72.5170.4-176.100112.6M30 K31 V32M30-E34 WeakPolarHBondContact O-CG 3.4Å; M30-E34 PolarHBondContact O-N 3.39Å; K31-E34 PolarHBondContact O-N 3.04Å; V32-E34 VanDerWaalsContact C-N 3.3Å; V32-E34 PolarHBondContact O-N 2.82Å
35K89.5Confident93.5Very high173 Ų17355.4 Ų55.475%0.75227%0.268SS*.Hα-helixtrans-104.1-22.3-166.2-63.3-174.3178-169.40114.9K31 V32K31-K35 WeakPolarHBondContact O-CB 3.47Å; K31-K35 WeakPolarHBondContact O-CG 3.35Å; K31-K35 PolarHBondContact O-N 3.46Å; K31-K35 VanDerWaalsContact O-N 3.1Å; V32-K35 PolarHBondContact O-N 3.4Å
36S88.7Confident93.6Very high18 Ų1855.5 Ų55.513%0.12627%0.269CS..  trans-93.3132.4-174.7-165.30000111.5T6 V32 D38 R42T6-S36 PolarHBondContact OG1-OG 3.3Å; V32-S36 WeakPolarHBondContact O-CB 3.48Å; V32-S36 PolarHBondContact O-N 3.11Å; S36-D38 WeakPolarHBondContact OG-CB 3.48Å; S36-D38 PolarHBondContact OG-N 2.94Å; S36-R42 WeakPolarHBondContact O-CD 3.43Å; S36-R42 PolarHBondContact O-NH1 3.03Å
37S87.3Confident93.6Very high117 Ų11755.3 Ų55.382%0.81827%0.27SS*.  trans-88.7-2.1166.756.10000112.9L39S37-L39 PolarHBondContact O-N 2.86Å; S37-L39 VanDerWaalsContact O-N 3.16Å
38D91.6Very high93.6Very high36 Ų3651 Ų5119%0.19325%0.252CS..  trans-74.8101.1178.7174.730.7000111.1S36 M40 G41 R42S36-D38 WeakPolarHBondContact OG-CB 3.48Å; S36-D38 PolarHBondContact OG-N 2.94Å; D38-M40 PolarHBondContact O-N 3.42Å; D38-M40 PolarHBondContact OD1-N 2.78Å; D38-G41 PolarHBondContact O-N 3.25Å; D38-G41 WeakPolarHBondContact OD2-CA 3.43Å; D38-G41 PolarHBondContact OD2-N 3.44Å; D38-R42 WeakPolarHBondContact O-CB 3.41Å; D38-R42 WeakPolarHBondContact O-CG 3.17Å; D38-R42 PolarHBondContact O-N 3.41Å
39L91.9Very high93.7Very high52 Ų5250.3 Ų50.327%0.27225%0.248SC..Hα-helixtrans-55.8-37.3-178.8-66.5178.3000112.9S37 R42 F43 T72 E75 L76S37-L39 PolarHBondContact O-N 2.86Å; S37-L39 VanDerWaalsContact O-N 3.16Å; L39-R42 PolarHBondContact O-N 3.17Å; L39-F43 WeakPolarHBondContact O-CB 3.3Å; L39-F43 PolarHBondContact O-N 3.26Å; L39-T72 HydrophobicContact CD2-CG2 4.34Å; L39-E75 HydrophobicContact CD1-CB 4.18Å; L39-E75 VanDerWaalsContact CD2-OE2 3.25Å; L39-E75 WeakPolarHBondContact CD2-OE2 3.38Å; L39-L76 HydrophobicContact CB-CD2 3.6Å; L39-L76 HydrophobicContact CB-CG 4.09Å; L39-L76 HydrophobicContact CD1-CD2 4.2Å
40M92.8Very high93.7Very high66 Ų6650.2 Ų50.233%0.32525%0.248SC..Hα-helixtrans-69.7-45.5180-69.7-68.3-71.100112D38 F43 R44 L76 F81D38-M40 PolarHBondContact O-N 3.42Å; D38-M40 PolarHBondContact OD1-N 2.78Å; M40-F43 PolarHBondContact O-N 3.33Å; M40-R44 WeakPolarHBondContact O-CG 3.48Å; M40-R44 PolarHBondContact O-N 3.03Å; M40-R44 VanDerWaalsContact O-N 3.14Å; M40-L76 HydrophobicContact CG-CD2 4.1Å; M40-L76 HydrophobicContact SD-CD1 3.91Å; M40-L76 HydrophobicContact SD-CD2 3.8Å; M40-F81 HydrophobicContact CE-CE1 4.23Å; M40-F81 HydrophobicContact CE-CE2 3.67Å; M40-F81 HydrophobicContact CE-CZ 3.24Å; M40-F81 HydrophobicContact SD-CD2 4.3Å; M40-F81 HydrophobicContact SD-CE2 3.4Å; M40-F81 WeakPolarHBondContact SD-CE2 3.46Å; M40-F81 HydrophobicContact SD-CZ 3.56Å; M40-F81 VanDerWaalsContact SD-CZ 3.56Å
41G92.7Very high93.6Very high3 Ų350.3 Ų50.33%0.03125%0.252CS..Hα-helixtrans-61.1-44.2173.600000112.1D38 R44 V45D38-G41 PolarHBondContact O-N 3.25Å; D38-G41 WeakPolarHBondContact OD2-CA 3.43Å; D38-G41 PolarHBondContact OD2-N 3.44Å; G41-R44 PolarHBondContact O-N 3.43Å; G41-V45 WeakPolarHBondContact O-CG2 2.93Å; G41-V45 PolarHBondContact O-N 3.04Å
42R94.8Very high93.6Very high56 Ų5644.7 Ų44.721%0.21123%0.228CC..Hα-helixtrans-59.3-47.6175.7-67.7167.569.573.210.8111.8L33 S36 D38 L39 R44 V45 L46L33-R42 HydrophobicContact CD2-CB 4.1Å; L33-R42 HydrophobicContact CD2-CG 4.39Å; L33-R42 PolarHBondContact O-NH1 3.14Å; S36-R42 WeakPolarHBondContact O-CD 3.43Å; S36-R42 PolarHBondContact O-NH1 3.03Å; D38-R42 WeakPolarHBondContact O-CB 3.41Å; D38-R42 WeakPolarHBondContact O-CG 3.17Å; D38-R42 PolarHBondContact O-N 3.41Å; L39-R42 PolarHBondContact O-N 3.17Å; R42-R44 VanDerWaalsContact C-N 3.34Å; R42-R44 PolarHBondContact O-N 2.77Å; R42-V45 PolarHBondContact O-N 3.48Å; R42-L46 WeakPolarHBondContact O-CG 3.11Å; R42-L46 PolarHBondContact O-N 2.91Å
43F95.8Very high93.7Very high3 Ų344.9 Ų44.91%0.01323%0.228CC..Hα-helixtrans-55.2-49177.7179.9-85.9000111.7L39 M40 V45 L46 G47 Q69 T72 A73 L76 F81 E84 S85L39-F43 WeakPolarHBondContact O-CB 3.3Å; L39-F43 PolarHBondContact O-N 3.26Å; M40-F43 PolarHBondContact O-N 3.33Å; F43-V45 VanDerWaalsContact C-N 3.34Å; F43-V45 PolarHBondContact O-N 3Å; F43-L46 WeakPolarHBondContact O-CB 3.4Å; F43-L46 PolarHBondContact O-N 2.86Å; F43-G47 PolarHBondContact O-N 3.2Å; F43-G47 VanDerWaalsContact O-N 3.09Å; F43-Q69 HydrophobicContact CD2-CG 3.79Å; F43-Q69 HydrophobicContact CE2-CG 3.55Å; F43-Q69 HydrophobicContact CZ-CG 4.09Å; F43-T72 HydrophobicContact CB-CG2 4.12Å; F43-A73 HydrophobicContact CD2-CB 4.33Å; F43-A73 HydrophobicContact CE2-CB 3.93Å; F43-L76 HydrophobicContact CB-CD1 4.13Å; F43-L76 HydrophobicContact CD2-CD1 4.36Å; F43-L76 HydrophobicContact CG-CD1 4.38Å; F43-F81 AromaticContact CD1-CD1 3.62Å; F43-F81 HydrophobicContact CD1-CD1 3.62Å; F43-F81 AromaticContact CD1-CE1 3.97Å; F43-F81 HydrophobicContact CD1-CE1 3.97Å; F43-F81 HydrophobicContact CD1-CG 4.43Å; F43-F81 HydrophobicContact CD2-CB 4.23Å; F43-F81 HydrophobicContact CD2-CD1 4.31Å; F43-F81 HydrophobicContact CD2-CG 4.38Å; F43-F81 HydrophobicContact CE1-CB 4.49Å; F43-F81 AromaticContact CE1-CD1 3.33Å; F43-F81 HydrophobicContact CE1-CD1 3.33Å; F43-F81 AromaticContact CE1-CE1 3.95Å; F43-F81 HydrophobicContact CE1-CE1 3.95Å; F43-F81 HydrophobicContact CE1-CG 4.24Å; F43-F81 HydrophobicContact CE2-CB 3.68Å; F43-F81 HydrophobicContact CE2-CD1 4.02Å; F43-F81 HydrophobicContact CE2-CG 4.14Å; F43-F81 HydrophobicContact CG-CD1 4.12Å; F43-F81 HydrophobicContact CZ-CB 3.84Å; F43-F81 AromaticContact CZ-CD1 3.54Å; F43-F81 HydrophobicContact CZ-CD1 3.54Å; F43-F81 HydrophobicContact CZ-CG 4.08Å; F43-E84 HydrophobicContact CZ-CB 4.2Å; F43-E84 HydrophobicContact CZ-CG 4.36Å; F43-S85 VanDerWaalsContact CE2-OG 3.29Å; F43-S85 WeakPolarHBondContact CE2-OG 3.19Å
44R94.8Very high93.7Very high137 Ų13745.1 Ų45.152%0.51723%0.232SC..Hα-helixtrans-61.7-42.3178.9-70.6176.9-1771792.6112I10 M40 G41 R42 L46 G47 C48I10-R44 HydrophobicContact CD1-CB 4.49Å; M40-R44 WeakPolarHBondContact O-CG 3.48Å; M40-R44 PolarHBondContact O-N 3.03Å; M40-R44 VanDerWaalsContact O-N 3.14Å; G41-R44 PolarHBondContact O-N 3.43Å; R42-R44 VanDerWaalsContact C-N 3.34Å; R42-R44 PolarHBondContact O-N 2.77Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.07Å; R44-G47 PolarHBondContact O-N 3.29Å; R44-C48 PolarHBondContact O-N 3.07Å; R44-C48 PolarHBondContact O-SG 2.92Å; R44-C48 VanDerWaalsContact O-SG 3.38Å
45V96.1Very high93.6Very high0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-62.6-41.6177.11710000111.8I10 W29 V32 L33 G41 R42 F43 G47 C48 L49I10-V45 HydrophobicContact CD1-CG2 3.9Å; I10-V45 HydrophobicContact CG1-CG2 3.54Å; W29-V45 HydrophobicContact CB-CG1 3.56Å; W29-V45 HydrophobicContact CG-CG1 3.99Å; W29-V45 WeakPolarHBondContact O-CG1 3.48Å; V32-V45 HydrophobicContact CB-CG2 4.08Å; V32-V45 HydrophobicContact CG1-CG2 3.76Å; L33-V45 HydrophobicContact CD1-CG1 4.19Å; L33-V45 HydrophobicContact CD2-CB 4.05Å; L33-V45 HydrophobicContact CD2-CG1 3.85Å; L33-V45 HydrophobicContact CG-CB 4.43Å; L33-V45 HydrophobicContact CG-CG1 3.7Å; G41-V45 WeakPolarHBondContact O-CG2 2.93Å; G41-V45 PolarHBondContact O-N 3.04Å; R42-V45 PolarHBondContact O-N 3.48Å; F43-V45 VanDerWaalsContact C-N 3.34Å; F43-V45 PolarHBondContact O-N 3Å; V45-G47 VanDerWaalsContact C-N 3.31Å; V45-G47 PolarHBondContact O-N 3.27Å; V45-C48 WeakPolarHBondContact O-CB 3.26Å; V45-C48 PolarHBondContact O-N 3.1Å; V45-L49 HydrophobicContact CG1-CD1 3.91Å; V45-L49 HydrophobicContact CG1-CG 4.33Å; V45-L49 WeakPolarHBondContact O-CG 3.31Å; V45-L49 PolarHBondContact O-N 3.14Å
46L97.3Very high93.6Very high1 Ų135.3 Ų35.31%0.00519%0.189CC..Hα-helixtrans-59.9-43175.4-69.9163.1000110.9L33 R42 F43 R44 C48 L49 V50 F65 V68 Q69 T72L33-L46 HydrophobicContact CD1-CD2 3.7Å; L33-L46 HydrophobicContact CD1-CG 4.33Å; L33-L46 HydrophobicContact CD2-CD1 4.44Å; L33-L46 HydrophobicContact CD2-CD2 4.09Å; L33-L46 HydrophobicContact CD2-CG 3.86Å; R42-L46 WeakPolarHBondContact O-CG 3.11Å; R42-L46 PolarHBondContact O-N 2.91Å; F43-L46 WeakPolarHBondContact O-CB 3.4Å; F43-L46 PolarHBondContact O-N 2.86Å; R44-L46 VanDerWaalsContact C-N 3.34Å; R44-L46 PolarHBondContact O-N 3.07Å; L46-C48 PolarHBondContact O-N 2.92Å; L46-L49 PolarHBondContact O-N 3.12Å; L46-V50 VanDerWaalsContact O-CG2 3.3Å; L46-V50 WeakPolarHBondContact O-CG2 3.24Å; L46-V50 PolarHBondContact O-N 3.33Å; L46-F65 HydrophobicContact CD2-CB 4.37Å; L46-F65 HydrophobicContact CD2-CD1 3.87Å; L46-V68 HydrophobicContact CD1-CB 4.41Å; L46-V68 HydrophobicContact CD1-CG1 3.87Å; L46-V68 HydrophobicContact CD2-CB 4.03Å; L46-V68 HydrophobicContact CD2-CG1 3.9Å; L46-Q69 HydrophobicContact CB-CB 3.9Å; L46-Q69 HydrophobicContact CB-CG 3.87Å; L46-Q69 HydrophobicContact CD1-CB 4.23Å; L46-Q69 HydrophobicContact CD1-CG 4.5Å; L46-T72 WeakPolarHBondContact CD1-OG1 3.07Å
47G96.4Very high93.8Very high8 Ų834.6 Ų34.68%0.08218%0.184CC..Hα-helixtrans-60-40.9173.200000113.7F43 R44 V45 T51F43-G47 PolarHBondContact O-N 3.2Å; F43-G47 VanDerWaalsContact O-N 3.09Å; R44-G47 PolarHBondContact O-N 3.29Å; V45-G47 VanDerWaalsContact C-N 3.31Å; V45-G47 PolarHBondContact O-N 3.27Å; G47-T51 PolarHBondContact O-N 3.37Å; G47-T51 PolarHBondContact O-OG1 3.01Å
48C96.3Very high94.2Very high25 Ų2533.8 Ų33.817%0.16916%0.163CC..Hα-helixtrans-63-44.6173.7-660000112.1W29 R44 V45 L46 T51 A52W29-C48 HydrophobicContact CD2-CB 3.98Å; W29-C48 HydrophobicContact CE3-CB 4.12Å; W29-C48 HydrophobicContact CH2-CB 3.87Å; W29-C48 HydrophobicContact CZ2-CB 3.72Å; W29-C48 HydrophobicContact CZ3-CB 4.07Å; R44-C48 PolarHBondContact O-N 3.07Å; R44-C48 PolarHBondContact O-SG 2.92Å; R44-C48 VanDerWaalsContact O-SG 3.38Å; V45-C48 WeakPolarHBondContact O-CB 3.26Å; V45-C48 PolarHBondContact O-N 3.1Å; L46-C48 PolarHBondContact O-N 2.92Å; C48-T51 PolarHBondContact O-N 3.11Å; C48-A52 WeakPolarHBondContact O-CB 3.12Å; C48-A52 PolarHBondContact O-N 2.96Å
49L97.3Very high94.5Very high1 Ų132.6 Ų32.61%0.00516%0.156CC..Hα-helixtrans-64.1-44.4177.8-72166.9000111.6L26 W29 M30 L33 V45 L46 T51 A52 H53 F65L26-L49 HydrophobicContact CD2-CD2 3.54Å; W29-L49 HydrophobicContact CB-CD1 4.44Å; W29-L49 HydrophobicContact CB-CD2 3.98Å; W29-L49 HydrophobicContact CB-CG 4.15Å; W29-L49 HydrophobicContact CE3-CD2 3.97Å; W29-L49 HydrophobicContact CE3-CG 4.37Å; M30-L49 HydrophobicContact SD-CD1 4.13Å; L33-L49 HydrophobicContact CD1-CD1 3.36Å; L33-L49 HydrophobicContact CG-CD1 4.33Å; V45-L49 HydrophobicContact CG1-CD1 3.91Å; V45-L49 HydrophobicContact CG1-CG 4.33Å; V45-L49 WeakPolarHBondContact O-CG 3.31Å; V45-L49 PolarHBondContact O-N 3.14Å; L46-L49 PolarHBondContact O-N 3.12Å; L49-T51 VanDerWaalsContact C-N 3.29Å; L49-T51 PolarHBondContact O-N 3.21Å; L49-A52 PolarHBondContact O-N 3.12Å; L49-H53 WeakPolarHBondContact O-CB 3.35Å; L49-H53 PolarHBondContact O-CD2 3.15Å; L49-H53 PolarHBondContact O-N 3.39Å; L49-F65 HydrophobicContact CB-CB 4.42Å; L49-F65 HydrophobicContact CB-CD1 4.37Å; L49-F65 HydrophobicContact CB-CD2 4.09Å; L49-F65 HydrophobicContact CB-CE2 4.49Å; L49-F65 HydrophobicContact CB-CG 4.03Å; L49-F65 HydrophobicContact CD1-CD1 3.92Å; L49-F65 HydrophobicContact CD1-CE1 3.82Å; L49-F65 HydrophobicContact CD1-CG 4.42Å; L49-F65 HydrophobicContact CD1-CZ 4.25Å
50V97.6Very high94.7Very high2 Ų236.9 Ų36.91%0.01217%0.173CC..Hα-helixtrans-54.8-47.9173.9167.60000110.4L46 S54 M62 F65 A66 N88L46-V50 VanDerWaalsContact O-CG2 3.3Å; L46-V50 WeakPolarHBondContact O-CG2 3.24Å; L46-V50 PolarHBondContact O-N 3.33Å; V50-S54 WeakPolarHBondContact O-CB 3.23Å; V50-S54 PolarHBondContact O-N 3.47Å; V50-M62 HydrophobicContact CG1-CE 3.87Å; V50-M62 HydrophobicContact CG1-CG 3.88Å; V50-M62 WeakPolarHBondContact O-CG 3.36Å; V50-F65 HydrophobicContact CG2-CB 3.85Å; V50-A66 HydrophobicContact CG2-CB 4.02Å; V50-N88 HydrophobicContact CG1-CB 4.02Å
51T93.9Very high94.9Very high71 Ų7136.8 Ų36.844%0.43617%0.172SC..Hα-helixtrans-62.2-50.6179-57.50000111.1G47 C48 L49 H53 S54 E55G47-T51 PolarHBondContact O-N 3.37Å; G47-T51 PolarHBondContact O-OG1 3.01Å; C48-T51 PolarHBondContact O-N 3.11Å; L49-T51 VanDerWaalsContact C-N 3.29Å; L49-T51 PolarHBondContact O-N 3.21Å; T51-H53 PolarHBondContact O-N 2.66Å; T51-S54 WeakPolarHBondContact O-CB 3.49Å; T51-S54 PolarHBondContact O-N 3.05Å; T51-S54 VanDerWaalsContact O-N 3.14Å; T51-E55 WeakPolarHBondContact O-CG 3.49Å; T51-E55 PolarHBondContact O-N 2.88Å; T51-E55 VanDerWaalsContact O-N 3.09Å
52A93.4Very high95.1Very high0 Ų036.9 Ų36.90%017%0.171CC..Hα-helixtrans-59.4-48-179.800000112.6Y17 L26 W29 C48 L49 S54 E55 M56Y17-A52 HydrophobicContact CD2-CB 4.26Å; Y17-A52 HydrophobicContact CE2-CB 3.5Å; Y17-A52 VanDerWaalsContact CE2-CB 3.5Å; Y17-A52 WeakPolarHBondContact OH-CA 3.47Å; L26-A52 HydrophobicContact CD2-CB 3.82Å; W29-A52 HydrophobicContact CZ3-CB 4.01Å; C48-A52 WeakPolarHBondContact O-CB 3.12Å; C48-A52 PolarHBondContact O-N 2.96Å; L49-A52 PolarHBondContact O-N 3.12Å; A52-S54 VanDerWaalsContact C-N 3.27Å; A52-S54 PolarHBondContact O-N 3.07Å; A52-E55 PolarHBondContact O-N 3.28Å; A52-E55 VanDerWaalsContact O-N 3.12Å; A52-M56 VanDerWaalsContact O-CG 3.24Å; A52-M56 WeakPolarHBondContact O-CG 3.38Å; A52-M56 PolarHBondContact O-N 3.31Å
53H95.2Very high95.3Very high12 Ų1236.3 Ų36.36%0.05617%0.172CC..Hα-helixtrans-65.1-31177.6-78.2-74.6000112.6L49 T51 G57 R58 E61 M62 F65L49-H53 WeakPolarHBondContact O-CB 3.35Å; L49-H53 PolarHBondContact O-CD2 3.15Å; L49-H53 PolarHBondContact O-N 3.39Å; T51-H53 PolarHBondContact O-N 2.66Å; H53-G57 PolarHBondContact O-N 3.07Å; H53-R58 HydrophobicContact CB-CB 4.22Å; H53-R58 WeakPolarHBondContact ND1-CB 3.29Å; H53-R58 PolarHBondContact O-N 3.42Å; H53-E61 HydrophobicContact CB-CB 4.47Å; H53-E61 WeakPolarHBondContact ND1-CB 3.41Å; H53-M62 HydrophobicContact CB-CB 3.92Å; H53-F65 AromaticContact CD2-CD2 3.6Å; H53-F65 AromaticContact CD2-CE2 3.49Å; H53-F65 VanDerWaalsContact CD2-CE2 3.49Å; H53-F65 WeakPolarHBondContact CD2-CE2 3.44Å; H53-F65 AromaticContact NE2-CD2 3.96Å; H53-F65 AromaticContact NE2-CE2 3.32Å; H53-F65 VanDerWaalsContact NE2-CE2 3.32Å; H53-F65 WeakPolarHBondContact NE2-CE2 3.32Å
54S93.3Very high95.4Very high26 Ų2641.8 Ų41.818%0.18220%0.196CC..Hα-helixtrans-63.8-41.7171.3-177.50000112.3V50 T51 A52 G57V50-S54 WeakPolarHBondContact O-CB 3.23Å; V50-S54 PolarHBondContact O-N 3.47Å; T51-S54 WeakPolarHBondContact O-CB 3.49Å; T51-S54 PolarHBondContact O-N 3.05Å; T51-S54 VanDerWaalsContact O-N 3.14Å; A52-S54 VanDerWaalsContact C-N 3.27Å; A52-S54 PolarHBondContact O-N 3.07Å; S54-G57 PolarHBondContact O-N 2.89Å
55E88.4Confident95.6Very high66 Ų6636.6 Ų36.631%0.30818%0.177SC..Hα-helixtrans-73.9-31.7-178-61-161143.200112.3Y17 T51 A52 G57 K203Y17-E55 PolarHBondContact OH-OE2 3.09Å; T51-E55 WeakPolarHBondContact O-CG 3.49Å; T51-E55 PolarHBondContact O-N 2.88Å; T51-E55 VanDerWaalsContact O-N 3.09Å; A52-E55 PolarHBondContact O-N 3.28Å; A52-E55 VanDerWaalsContact O-N 3.12Å; E55-G57 PolarHBondContact O-N 3.43Å; E55-K203 IonicContact OE1-NZ 2.76Å; E55-K203 PolarHBondContact OE1-NZ 3.21Å
56M90Very high95.7Very high41 Ų4136.6 Ų36.620%0.20218%0.177CC..THydrogen-bonded Turntrans-77-6.1175.2-61.1171.986.300113.6T22 E23 L26 A52 R58T22-M56 HydrophobicContact CG2-CE 4.12Å; T22-M56 HydrophobicContact CG2-CG 4.29Å; T22-M56 HydrophobicContact CG2-SD 3.65Å; E23-M56 VanDerWaalsContact OE1-CE 3.32Å; E23-M56 WeakPolarHBondContact OE1-CE 3.47Å; L26-M56 HydrophobicContact CD1-CE 4.28Å; L26-M56 HydrophobicContact CD1-SD 3.95Å; A52-M56 VanDerWaalsContact O-CG 3.24Å; A52-M56 WeakPolarHBondContact O-CG 3.38Å; A52-M56 PolarHBondContact O-N 3.31Å; M56-R58 HydrophobicContact CB-CG 4.07Å; M56-R58 VanDerWaalsContact CE-NH1 3.27Å; M56-R58 PolarHBondContact O-N 3.35Å
57G93Very high95.7Very high3 Ų339.6 Ų39.63%0.03120%0.195CC..THydrogen-bonded Turntrans7212.9-172.700000114.5H53 S54 E55 Y59 I279H53-G57 PolarHBondContact O-N 3.07Å; S54-G57 PolarHBondContact O-N 2.89Å; E55-G57 PolarHBondContact O-N 3.43Å; G57-Y59 PolarHBondContact O-N 3.31Å; G57-I279 VanDerWaalsContact O-CB 3.31Å; G57-I279 WeakPolarHBondContact O-CB 3.32Å; G57-I279 WeakPolarHBondContact O-CG2 3.42Å
58R95.7Very high95.7Very high101 Ų10142.2 Ų42.238%0.38121%0.209SC..  trans-83.560.7178.5-65.8-179.8179.7167.14.8110.5E23 H53 M56 K60 E61 M62E23-R58 IonicContact OE1-CZ 2.97Å; E23-R58 VanDerWaalsContact OE1-CZ 3.31Å; E23-R58 IonicContact OE1-NH1 2.82Å; E23-R58 PolarHBondContact OE1-NH1 3.03Å; E23-R58 IonicContact OE1-NH2 3.03Å; E23-R58 PolarHBondContact OE1-NH2 3.04Å; E23-R58 IonicContact OE2-NH1 2.89Å; H53-R58 HydrophobicContact CB-CB 4.22Å; H53-R58 WeakPolarHBondContact ND1-CB 3.29Å; H53-R58 PolarHBondContact O-N 3.42Å; M56-R58 HydrophobicContact CB-CG 4.07Å; M56-R58 VanDerWaalsContact CE-NH1 3.27Å; M56-R58 PolarHBondContact O-N 3.35Å; R58-K60 VanDerWaalsContact C-N 3.33Å; R58-K60 PolarHBondContact O-N 3.08Å; R58-E61 HydrophobicContact CB-CB 4.35Å; R58-E61 PolarHBondContact O-N 3.18Å; R58-E61 VanDerWaalsContact O-N 3.13Å; R58-M62 PolarHBondContact O-N 3.29Å
59Y97Very high95.7Very high10 Ų1041 Ų414%0.03920%0.201CC..Hα-helixtrans-65.4-29.4-168.6-57.4-32.4000114.9G57 M62 L63 K95 P243 I279G57-Y59 PolarHBondContact O-N 3.31Å; Y59-M62 HydrophobicContact CD1-SD 4.42Å; Y59-M62 WeakPolarHBondContact O-CB 3.45Å; Y59-M62 PolarHBondContact O-N 3.11Å; Y59-L63 PolarHBondContact O-N 3.35Å; Y59-K95 HydrophobicContact CD1-CB 3.76Å; Y59-K95 HydrophobicContact CD1-CG 4.11Å; Y59-K95 HydrophobicContact CD2-CB 3.72Å; Y59-K95 HydrophobicContact CE1-CB 3.88Å; Y59-K95 HydrophobicContact CE1-CD 4.13Å; Y59-K95 HydrophobicContact CE1-CG 3.88Å; Y59-K95 HydrophobicContact CE2-CB 3.86Å; Y59-K95 HydrophobicContact CG-CB 3.68Å; Y59-P243 HydrophobicContact CE1-CG 4.38Å; Y59-P243 VanDerWaalsContact OH-CB 3.27Å; Y59-P243 WeakPolarHBondContact OH-CB 3.46Å; Y59-P243 WeakPolarHBondContact OH-CG 3.46Å; Y59-I279 HydrophobicContact CD2-CB 4.11Å; Y59-I279 HydrophobicContact CD2-CG1 4.38Å; Y59-I279 WeakPolarHBondContact CD2-O 3.4Å; Y59-I279 HydrophobicContact CE2-CB 4Å; Y59-I279 HydrophobicContact CE2-CD1 3.92Å; Y59-I279 HydrophobicContact CE2-CG1 3.98Å
60K97.1Very high95.7Very high143 Ų14341.2 Ų41.262%0.62220%0.203SC*.Hα-helixtrans-65.1-42.3173.5-67.9-178.8-179.4174.60111.8R58 L63 K64 L96R58-K60 VanDerWaalsContact C-N 3.33Å; R58-K60 PolarHBondContact O-N 3.08Å; K60-L63 PolarHBondContact O-N 2.96Å; K60-K64 WeakPolarHBondContact O-CG 3.34Å; K60-K64 PolarHBondContact O-N 3.21Å; K60-K64 VanDerWaalsContact O-N 3.13Å; K60-L96 HydrophobicContact CG-CD2 4.37Å
61E97.1Very high95.5Very high64 Ų6444.5 Ų44.530%0.29922%0.22SC..Hα-helixtrans-69.5-40.8175.2-62.2-52.4125.500111.2H53 R58 L63 K64 F65H53-E61 HydrophobicContact CB-CB 4.47Å; H53-E61 WeakPolarHBondContact ND1-CB 3.41Å; R58-E61 HydrophobicContact CB-CB 4.35Å; R58-E61 PolarHBondContact O-N 3.18Å; R58-E61 VanDerWaalsContact O-N 3.13Å; E61-L63 VanDerWaalsContact C-N 3.27Å; E61-L63 PolarHBondContact O-N 2.84Å; E61-K64 WeakPolarHBondContact O-CB 3.25Å; E61-K64 PolarHBondContact O-N 2.91Å; E61-K64 VanDerWaalsContact O-N 3.1Å; E61-K64 WeakPolarHBondContact OE1-CE 3.41Å; E61-K64 IonicContact OE1-NZ 3.21Å; E61-K64 PolarHBondContact OE1-NZ 3.18Å; E61-K64 WeakPolarHBondContact OE2-CD 3.16Å; E61-K64 IonicContact OE2-NZ 3.66Å; E61-F65 HydrophobicContact CB-CE2 4.31Å; E61-F65 WeakPolarHBondContact O-CD2 3.38Å; E61-F65 PolarHBondContact O-N 3.44Å
62M97.6Very high95.6Very high4 Ų441.4 Ų41.42%0.0220%0.201CC..Hα-helixtrans-51.7-47.2172-176.7-160.1174.500111.3V50 H53 R58 Y59 F65 A66 R91 S92V50-M62 HydrophobicContact CG1-CE 3.87Å; V50-M62 HydrophobicContact CG1-CG 3.88Å; V50-M62 WeakPolarHBondContact O-CG 3.36Å; H53-M62 HydrophobicContact CB-CB 3.92Å; R58-M62 PolarHBondContact O-N 3.29Å; Y59-M62 HydrophobicContact CD1-SD 4.42Å; Y59-M62 WeakPolarHBondContact O-CB 3.45Å; Y59-M62 PolarHBondContact O-N 3.11Å; M62-F65 PolarHBondContact O-N 3.06Å; M62-A66 WeakPolarHBondContact O-CB 3.22Å; M62-A66 PolarHBondContact O-N 3.22Å; M62-R91 HydrophobicContact CE-CB 3.82Å; M62-S92 WeakPolarHBondContact CE-OG 3.48Å; M62-S92 WeakPolarHBondContact CG-OG 3.48Å; M62-S92 PolarHBondContact SD-OG 3.14Å
63L98.1Very high95.7Very high44 Ų4441.4 Ų41.423%0.2320%0.201CC..Hα-helixtrans-63.3-43.8177.6-179.462.2000112Y59 K60 E61 F65 A66 V67 L89 L96Y59-L63 PolarHBondContact O-N 3.35Å; K60-L63 PolarHBondContact O-N 2.96Å; E61-L63 VanDerWaalsContact C-N 3.27Å; E61-L63 PolarHBondContact O-N 2.84Å; L63-F65 VanDerWaalsContact C-N 3.35Å; L63-F65 PolarHBondContact O-N 2.96Å; L63-A66 PolarHBondContact O-N 3.36Å; L63-V67 HydrophobicContact CD1-CG2 4.43Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 3.26Å; L63-L89 HydrophobicContact CD1-CD2 3.96Å; L63-L96 HydrophobicContact CB-CD1 4.24Å; L63-L96 HydrophobicContact CD2-CD1 3.82Å
64K98.1Very high95.6Very high119 Ų11947 Ų4752%0.51722%0.222SC..Hα-helixtrans-57.1-48.1177.8-71.5173.4-176.7173.10111.3K60 E61 V67 V68K60-K64 WeakPolarHBondContact O-CG 3.34Å; K60-K64 PolarHBondContact O-N 3.21Å; K60-K64 VanDerWaalsContact O-N 3.13Å; E61-K64 WeakPolarHBondContact O-CB 3.25Å; E61-K64 PolarHBondContact O-N 2.91Å; E61-K64 VanDerWaalsContact O-N 3.1Å; E61-K64 WeakPolarHBondContact OE1-CE 3.41Å; E61-K64 IonicContact OE1-NZ 3.21Å; E61-K64 PolarHBondContact OE1-NZ 3.18Å; E61-K64 WeakPolarHBondContact OE2-CD 3.16Å; E61-K64 IonicContact OE2-NZ 3.66Å; K64-V67 PolarHBondContact O-N 3.14Å; K64-V68 WeakPolarHBondContact O-CG2 3.44Å; K64-V68 PolarHBondContact O-N 2.92Å; K64-V68 VanDerWaalsContact O-N 3.12Å
65F98.3Very high95.7Very high27 Ų2751.9 Ų51.912%0.11824%0.241CC..Hα-helixtrans-67.6-35.9178.8-68.2-62.6000112.7M30 L33 L46 L49 V50 H53 E61 M62 L63 V67 V68 Q69M30-F65 HydrophobicContact SD-CE1 3.81Å; M30-F65 HydrophobicContact SD-CZ 3.73Å; L33-F65 HydrophobicContact CD1-CE1 4.33Å; L46-F65 HydrophobicContact CD2-CB 4.37Å; L46-F65 HydrophobicContact CD2-CD1 3.87Å; L49-F65 HydrophobicContact CB-CB 4.42Å; L49-F65 HydrophobicContact CB-CD1 4.37Å; L49-F65 HydrophobicContact CB-CD2 4.09Å; L49-F65 HydrophobicContact CB-CE2 4.49Å; L49-F65 HydrophobicContact CB-CG 4.03Å; L49-F65 HydrophobicContact CD1-CD1 3.92Å; L49-F65 HydrophobicContact CD1-CE1 3.82Å; L49-F65 HydrophobicContact CD1-CG 4.42Å; L49-F65 HydrophobicContact CD1-CZ 4.25Å; V50-F65 HydrophobicContact CG2-CB 3.85Å; H53-F65 AromaticContact CD2-CD2 3.6Å; H53-F65 AromaticContact CD2-CE2 3.49Å; H53-F65 VanDerWaalsContact CD2-CE2 3.49Å; H53-F65 WeakPolarHBondContact CD2-CE2 3.44Å; H53-F65 AromaticContact NE2-CD2 3.96Å; H53-F65 AromaticContact NE2-CE2 3.32Å; H53-F65 VanDerWaalsContact NE2-CE2 3.32Å; H53-F65 WeakPolarHBondContact NE2-CE2 3.32Å; E61-F65 HydrophobicContact CB-CE2 4.31Å; E61-F65 WeakPolarHBondContact O-CD2 3.38Å; E61-F65 PolarHBondContact O-N 3.44Å; M62-F65 PolarHBondContact O-N 3.06Å; L63-F65 VanDerWaalsContact C-N 3.35Å; L63-F65 PolarHBondContact O-N 2.96Å; F65-V67 VanDerWaalsContact C-N 3.3Å; F65-V67 PolarHBondContact O-N 3.41Å; F65-V68 PolarHBondContact O-N 3.39Å; F65-Q69 WeakPolarHBondContact O-CB 2.99Å; F65-Q69 PolarHBondContact O-N 2.99Å
66A97.9Very high95.9Very high0 Ų050.7 Ų50.70%024%0.237CC..Hα-helixtrans-64-34.4174.200000112.5V50 M62 L63 Q69 I70 N88 L89V50-A66 HydrophobicContact CG2-CB 4.02Å; M62-A66 WeakPolarHBondContact O-CB 3.22Å; M62-A66 PolarHBondContact O-N 3.22Å; L63-A66 PolarHBondContact O-N 3.36Å; A66-Q69 PolarHBondContact O-N 2.81Å; A66-I70 PolarHBondContact O-N 3.24Å; A66-I70 VanDerWaalsContact O-N 3.13Å; A66-N88 HydrophobicContact CB-CB 4.22Å; A66-L89 HydrophobicContact CB-CD2 3.81Å; A66-L89 HydrophobicContact CB-CG 4.13Å
67V97.9Very high96Very high64 Ų6457.2 Ų57.239%0.38827%0.267SS..Hα-helixtrans-66.4-45.8173173.20000111L63 K64 F65 Q69 I70 D71 L89L63-V67 HydrophobicContact CD1-CG2 4.43Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 3.26Å; K64-V67 PolarHBondContact O-N 3.14Å; F65-V67 VanDerWaalsContact C-N 3.3Å; F65-V67 PolarHBondContact O-N 3.41Å; V67-Q69 PolarHBondContact O-N 3.15Å; V67-I70 WeakPolarHBondContact O-CG2 3.26Å; V67-I70 PolarHBondContact O-N 3.5Å; V67-D71 PolarHBondContact O-N 2.93Å; V67-L89 HydrophobicContact CG2-CD2 3.69Å
68V96.9Very high95.8Very high63 Ų6360 Ų6038%0.38228%0.281SS..Hα-helixtrans-64.6-32.9176.4-179.20000111.4L46 K64 F65 D71 T72L46-V68 HydrophobicContact CD1-CB 4.41Å; L46-V68 HydrophobicContact CD1-CG1 3.87Å; L46-V68 HydrophobicContact CD2-CB 4.03Å; L46-V68 HydrophobicContact CD2-CG1 3.9Å; K64-V68 WeakPolarHBondContact O-CG2 3.44Å; K64-V68 PolarHBondContact O-N 2.92Å; K64-V68 VanDerWaalsContact O-N 3.12Å; F65-V68 PolarHBondContact O-N 3.39Å; V68-D71 PolarHBondContact O-N 3.37Å; V68-T72 PolarHBondContact O-N 2.8Å; V68-T72 PolarHBondContact O-OG1 2.9Å
69Q97Very high95.5Very high0 Ų056.6 Ų56.60%028%0.275CS..Hα-helixtrans-64.6-41.1177.2-161.7-178.61300112F43 L46 F65 A66 V67 D71 T72 A73 S85 N88F43-Q69 HydrophobicContact CD2-CG 3.79Å; F43-Q69 HydrophobicContact CE2-CG 3.55Å; F43-Q69 HydrophobicContact CZ-CG 4.09Å; L46-Q69 HydrophobicContact CB-CB 3.9Å; L46-Q69 HydrophobicContact CB-CG 3.87Å; L46-Q69 HydrophobicContact CD1-CB 4.23Å; L46-Q69 HydrophobicContact CD1-CG 4.5Å; F65-Q69 WeakPolarHBondContact O-CB 2.99Å; F65-Q69 PolarHBondContact O-N 2.99Å; A66-Q69 PolarHBondContact O-N 2.81Å; V67-Q69 PolarHBondContact O-N 3.15Å; Q69-D71 VanDerWaalsContact C-N 3.34Å; Q69-D71 PolarHBondContact O-N 2.99Å; Q69-T72 PolarHBondContact O-N 3.27Å; Q69-A73 WeakPolarHBondContact O-CB 3.28Å; Q69-A73 PolarHBondContact O-N 3.27Å; Q69-S85 PolarHBondContact O-OG 2.75Å; Q69-N88 PolarHBondContact OE1-ND2 2.6Å
70I95.4Very high95.3Very high6 Ų658.5 Ų58.53%0.03129%0.286CS..Hα-helixtrans-66.3-37177.7-169.668.9000111.8A66 V67 A73 R74 L82 S85 Y86 L89A66-I70 PolarHBondContact O-N 3.24Å; A66-I70 VanDerWaalsContact O-N 3.13Å; V67-I70 WeakPolarHBondContact O-CG2 3.26Å; V67-I70 PolarHBondContact O-N 3.5Å; I70-A73 WeakPolarHBondContact O-CB 3.06Å; I70-A73 PolarHBondContact O-N 3.03Å; I70-R74 WeakPolarHBondContact O-CG 3.37Å; I70-R74 PolarHBondContact O-N 3.07Å; I70-L82 HydrophobicContact CD1-CD2 3.73Å; I70-S85 VanDerWaalsContact CD1-CB 3.45Å; I70-Y86 HydrophobicContact CD1-CD1 4.27Å; I70-Y86 HydrophobicContact CD1-CD2 3.84Å; I70-Y86 HydrophobicContact CD1-CE1 4.18Å; I70-Y86 HydrophobicContact CD1-CE2 3.73Å; I70-Y86 HydrophobicContact CD1-CG 4.1Å; I70-Y86 HydrophobicContact CG1-CE1 4.5Å; I70-L89 HydrophobicContact CB-CD1 4.05Å; I70-L89 HydrophobicContact CG1-CD1 4.38Å; I70-L89 HydrophobicContact CG2-CD1 3.9Å
71D94.9Very high95.1Very high71 Ų7153.5 Ų53.538%0.3826%0.264SS..Hα-helixtrans-67.5-42.3177.7-65.6-29.1000110.8V67 V68 Q69 A73 R74 E75V67-D71 PolarHBondContact O-N 2.93Å; V68-D71 PolarHBondContact O-N 3.37Å; Q69-D71 VanDerWaalsContact C-N 3.34Å; Q69-D71 PolarHBondContact O-N 2.99Å; D71-A73 VanDerWaalsContact C-N 3.3Å; D71-A73 PolarHBondContact O-N 2.96Å; D71-R74 WeakPolarHBondContact O-CB 3.48Å; D71-R74 PolarHBondContact O-N 3.39Å; D71-R74 IonicContact OD1-NH1 2.64Å; D71-R74 PolarHBondContact OD1-NH1 3.23Å; D71-E75 PolarHBondContact O-N 3.33Å; D71-E75 VanDerWaalsContact O-N 3.16Å
72T95.2Very high94.9Very high6 Ų652 Ų524%0.03726%0.258CS..Hα-helixtrans-61.3-38.9172.8-51.20000111.7L39 F43 L46 V68 Q69 R74 E75 L76L39-T72 HydrophobicContact CD2-CG2 4.34Å; F43-T72 HydrophobicContact CB-CG2 4.12Å; L46-T72 WeakPolarHBondContact CD1-OG1 3.07Å; V68-T72 PolarHBondContact O-N 2.8Å; V68-T72 PolarHBondContact O-OG1 2.9Å; Q69-T72 PolarHBondContact O-N 3.27Å; T72-R74 VanDerWaalsContact C-N 3.35Å; T72-E75 PolarHBondContact O-N 2.99Å; T72-L76 HydrophobicContact CG2-CD1 4.44Å; T72-L76 WeakPolarHBondContact O-CG 3.49Å; T72-L76 PolarHBondContact O-N 3.42Å; T72-L76 VanDerWaalsContact O-N 3.16Å
73A94.8Very high94.8Very high0 Ų052.1 Ų52.10%026%0.259CS..Hα-helixtrans-65.8-35.8177.100000113F43 Q69 I70 D71 L76 E77 F81 L82 S85F43-A73 HydrophobicContact CD2-CB 4.33Å; F43-A73 HydrophobicContact CE2-CB 3.93Å; Q69-A73 WeakPolarHBondContact O-CB 3.28Å; Q69-A73 PolarHBondContact O-N 3.27Å; I70-A73 WeakPolarHBondContact O-CB 3.06Å; I70-A73 PolarHBondContact O-N 3.03Å; D71-A73 VanDerWaalsContact C-N 3.3Å; D71-A73 PolarHBondContact O-N 2.96Å; A73-L76 PolarHBondContact O-N 2.78Å; A73-E77 PolarHBondContact O-N 2.99Å; A73-F81 HydrophobicContact CB-CB 3.91Å; A73-L82 HydrophobicContact CB-CD2 3.92Å; A73-L82 HydrophobicContact CB-CG 4.3Å; A73-S85 WeakPolarHBondContact CB-OG 3.2Å
74R94.4Very high94.6Very high129 Ų12953.1 Ų53.149%0.48726%0.262SS..Hα-helixtrans-65.6-40.5175.3-71.6169.7177.1156.7-7.4111.4I70 D71 T72 L76 E77 L82I70-R74 WeakPolarHBondContact O-CG 3.37Å; I70-R74 PolarHBondContact O-N 3.07Å; D71-R74 WeakPolarHBondContact O-CB 3.48Å; D71-R74 PolarHBondContact O-N 3.39Å; D71-R74 IonicContact OD1-NH1 2.64Å; D71-R74 PolarHBondContact OD1-NH1 3.23Å; T72-R74 VanDerWaalsContact C-N 3.35Å; R74-L76 VanDerWaalsContact C-N 3.25Å; R74-L76 PolarHBondContact O-N 3.33Å; R74-E77 WeakPolarHBondContact O-CG 3.34Å; R74-E77 PolarHBondContact O-N 2.84Å; R74-E77 VanDerWaalsContact O-N 3.15Å; R74-L82 HydrophobicContact CG-CD2 3.76Å
75E94.7Very high94.5Very high128 Ų12847.5 Ų47.560%0.59824%0.238SC*.Hα-helixtrans-64.9-30.1175.2-68.3177.1-161.800112.8L39 D71 T72 E77L39-E75 HydrophobicContact CD1-CB 4.18Å; L39-E75 VanDerWaalsContact CD2-OE2 3.25Å; L39-E75 WeakPolarHBondContact CD2-OE2 3.38Å; D71-E75 PolarHBondContact O-N 3.33Å; D71-E75 VanDerWaalsContact O-N 3.16Å; T72-E75 PolarHBondContact O-N 2.99Å; E75-E77 VanDerWaalsContact C-N 3.29Å
76L93.3Very high94.5Very high42 Ų4248 Ų4822%0.2224%0.239CC..THydrogen-bonded Turntrans-77.4-13.1175.6-72.3168.8000113.5L39 M40 F43 T72 A73 R74 D78 F81L39-L76 HydrophobicContact CB-CD2 3.6Å; L39-L76 HydrophobicContact CB-CG 4.09Å; L39-L76 HydrophobicContact CD1-CD2 4.2Å; M40-L76 HydrophobicContact CG-CD2 4.1Å; M40-L76 HydrophobicContact SD-CD1 3.91Å; M40-L76 HydrophobicContact SD-CD2 3.8Å; F43-L76 HydrophobicContact CB-CD1 4.13Å; F43-L76 HydrophobicContact CD2-CD1 4.36Å; F43-L76 HydrophobicContact CG-CD1 4.38Å; T72-L76 HydrophobicContact CG2-CD1 4.44Å; T72-L76 WeakPolarHBondContact O-CG 3.49Å; T72-L76 PolarHBondContact O-N 3.42Å; T72-L76 VanDerWaalsContact O-N 3.16Å; A73-L76 PolarHBondContact O-N 2.78Å; R74-L76 VanDerWaalsContact C-N 3.25Å; R74-L76 PolarHBondContact O-N 3.33Å; L76-D78 PolarHBondContact O-N 2.64Å; L76-D78 VanDerWaalsContact O-N 3.09Å; L76-F81 HydrophobicContact CB-CD2 4.07Å; L76-F81 HydrophobicContact CD1-CD2 3.69Å; L76-F81 HydrophobicContact CD1-CE2 4.18Å; L76-F81 HydrophobicContact CD1-CG 4.19Å; L76-F81 HydrophobicContact CG-CD2 4.46Å
77E91.4Very high94.5Very high178 Ų17848.1 Ų48.183%0.83224%0.24SC*.THydrogen-bonded Turntrans51.628.8-179.4-60.5-173.8172.600114.7A73 R74 E75A73-E77 PolarHBondContact O-N 2.99Å; R74-E77 WeakPolarHBondContact O-CG 3.34Å; R74-E77 PolarHBondContact O-N 2.84Å; R74-E77 VanDerWaalsContact O-N 3.15Å; E75-E77 VanDerWaalsContact C-N 3.29Å
78D89.4Confident94.5Very high61 Ų6145.6 Ų45.633%0.32622%0.224SC..  trans-110.9128.1-177-166.9-57.5000111.7L76 D80 F81 L82L76-D78 PolarHBondContact O-N 2.64Å; L76-D78 VanDerWaalsContact O-N 3.09Å; D78-D80 VanDerWaalsContact C-N 3.34Å; D78-D80 PolarHBondContact O-N 3.21Å; D78-D80 WeakPolarHBondContact OD1-CA 3.3Å; D78-D80 VanDerWaalsContact OD1-CB 3.32Å; D78-D80 WeakPolarHBondContact OD1-CB 3.42Å; D78-D80 PolarHBondContact OD1-N 2.84Å; D78-F81 HydrophobicContact CB-CB 4.36Å; D78-F81 HydrophobicContact CB-CD2 3.46Å; D78-F81 VanDerWaalsContact CB-CD2 3.46Å; D78-F81 HydrophobicContact CB-CE2 4.05Å; D78-F81 HydrophobicContact CB-CG 4.27Å; D78-F81 PolarHBondContact O-N 3.45Å; D78-L82 WeakPolarHBondContact O-CG 3.48Å; D78-L82 PolarHBondContact O-N 3.48Å
79A89.9Confident94.5Very high30 Ų3042.9 Ų42.925%0.24821%0.207CC..Hα-helixtrans-66.7-30.3-178.900000113.7L83 T115A79-L83 WeakPolarHBondContact O-CB 3.42Å; A79-L83 PolarHBondContact O-N 3.01Å; A79-T115 HydrophobicContact CB-CG2 3.68Å
80D90.9Very high94.6Very high49 Ų4942.9 Ų42.926%0.26221%0.207SC..Hα-helixtrans-68.7-43.9176.1-77.3-23.9000110.9D78 L83 E84 T115 A117D78-D80 VanDerWaalsContact C-N 3.34Å; D78-D80 PolarHBondContact O-N 3.21Å; D78-D80 WeakPolarHBondContact OD1-CA 3.3Å; D78-D80 VanDerWaalsContact OD1-CB 3.32Å; D78-D80 WeakPolarHBondContact OD1-CB 3.42Å; D78-D80 PolarHBondContact OD1-N 2.84Å; D80-L83 PolarHBondContact O-N 3.27Å; D80-E84 PolarHBondContact O-N 2.97Å; D80-T115 WeakPolarHBondContact OD1-CB 3.24Å; D80-T115 PolarHBondContact OD1-OG1 3.04Å; D80-A117 HydrophobicContact CB-CB 3.85Å; D80-A117 VanDerWaalsContact CG-CB 3.47Å; D80-A117 WeakPolarHBondContact OD1-CB 3.37Å; D80-A117 PolarHBondContact OD1-N 3.48Å
81F93.2Very high94.7Very high38 Ų3844.6 Ų44.617%0.16721%0.213CC..Hα-helixtrans-66.3-37.5176-65.8-45.5000112.4M40 F43 A73 L76 D78 S85M40-F81 HydrophobicContact CE-CE1 4.23Å; M40-F81 HydrophobicContact CE-CE2 3.67Å; M40-F81 HydrophobicContact CE-CZ 3.24Å; M40-F81 HydrophobicContact SD-CD2 4.3Å; M40-F81 HydrophobicContact SD-CE2 3.4Å; M40-F81 WeakPolarHBondContact SD-CE2 3.46Å; M40-F81 HydrophobicContact SD-CZ 3.56Å; M40-F81 VanDerWaalsContact SD-CZ 3.56Å; F43-F81 AromaticContact CD1-CD1 3.62Å; F43-F81 HydrophobicContact CD1-CD1 3.62Å; F43-F81 AromaticContact CD1-CE1 3.97Å; F43-F81 HydrophobicContact CD1-CE1 3.97Å; F43-F81 HydrophobicContact CD1-CG 4.43Å; F43-F81 HydrophobicContact CD2-CB 4.23Å; F43-F81 HydrophobicContact CD2-CD1 4.31Å; F43-F81 HydrophobicContact CD2-CG 4.38Å; F43-F81 HydrophobicContact CE1-CB 4.49Å; F43-F81 AromaticContact CE1-CD1 3.33Å; F43-F81 HydrophobicContact CE1-CD1 3.33Å; F43-F81 AromaticContact CE1-CE1 3.95Å; F43-F81 HydrophobicContact CE1-CE1 3.95Å; F43-F81 HydrophobicContact CE1-CG 4.24Å; F43-F81 HydrophobicContact CE2-CB 3.68Å; F43-F81 HydrophobicContact CE2-CD1 4.02Å; F43-F81 HydrophobicContact CE2-CG 4.14Å; F43-F81 HydrophobicContact CG-CD1 4.12Å; F43-F81 HydrophobicContact CZ-CB 3.84Å; F43-F81 AromaticContact CZ-CD1 3.54Å; F43-F81 HydrophobicContact CZ-CD1 3.54Å; F43-F81 HydrophobicContact CZ-CG 4.08Å; A73-F81 HydrophobicContact CB-CB 3.91Å; L76-F81 HydrophobicContact CB-CD2 4.07Å; L76-F81 HydrophobicContact CD1-CD2 3.69Å; L76-F81 HydrophobicContact CD1-CE2 4.18Å; L76-F81 HydrophobicContact CD1-CG 4.19Å; L76-F81 HydrophobicContact CG-CD2 4.46Å; D78-F81 HydrophobicContact CB-CB 4.36Å; D78-F81 HydrophobicContact CB-CD2 3.46Å; D78-F81 VanDerWaalsContact CB-CD2 3.46Å; D78-F81 HydrophobicContact CB-CE2 4.05Å; D78-F81 HydrophobicContact CB-CG 4.27Å; D78-F81 PolarHBondContact O-N 3.45Å; F81-S85 WeakPolarHBondContact O-CB 3.49Å; F81-S85 PolarHBondContact O-N 3.32Å; F81-S85 PolarHBondContact O-OG 2.76Å
82L93.8Very high94.8Very high34 Ų3441.2 Ų41.218%0.17820%0.195CC..Hα-helixtrans-63-44.7173.4-73.6171.2000111.3I70 A73 R74 D78 S85 Y86 L112I70-L82 HydrophobicContact CD1-CD2 3.73Å; A73-L82 HydrophobicContact CB-CD2 3.92Å; A73-L82 HydrophobicContact CB-CG 4.3Å; R74-L82 HydrophobicContact CG-CD2 3.76Å; D78-L82 WeakPolarHBondContact O-CG 3.48Å; D78-L82 PolarHBondContact O-N 3.48Å; L82-S85 PolarHBondContact O-N 3.46Å; L82-Y86 WeakPolarHBondContact O-CD2 3.49Å; L82-Y86 PolarHBondContact O-N 3.05Å; L82-L112 HydrophobicContact CB-CD1 4.35Å
83L94.8Very high95Very high6 Ų641.3 Ų41.33%0.03120%0.195CC..Hα-helixtrans-61.5-46.9179.6-172.4150000111.8A79 D80 S85 Y86 L87 C109 L112 L121A79-L83 WeakPolarHBondContact O-CB 3.42Å; A79-L83 PolarHBondContact O-N 3.01Å; D80-L83 PolarHBondContact O-N 3.27Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.09Å; L83-Y86 PolarHBondContact O-N 3.44Å; L83-L87 WeakPolarHBondContact O-CB 3.39Å; L83-L87 PolarHBondContact O-N 2.93Å; L83-C109 HydrophobicContact CG-CB 4.45Å; L83-L112 HydrophobicContact CB-CD1 3.8Å; L83-L112 HydrophobicContact CG-CD1 4.37Å; L83-L121 HydrophobicContact CD2-CB 3.68Å; L83-L121 HydrophobicContact CD2-CD1 3.52Å; L83-L121 HydrophobicContact CD2-CG 4.19Å
84E95.1Very high95.2Very high65 Ų6542.3 Ų42.330%0.30420%0.2SC..Hα-helixtrans-61.1-43176.6-174.3-174.8150.600111.4F43 D80 L87 N88 L121F43-E84 HydrophobicContact CZ-CB 4.2Å; F43-E84 HydrophobicContact CZ-CG 4.36Å; D80-E84 PolarHBondContact O-N 2.97Å; E84-L87 WeakPolarHBondContact O-CB 3.29Å; E84-L87 PolarHBondContact O-N 3.34Å; E84-N88 PolarHBondContact O-N 2.98Å; E84-L121 HydrophobicContact CB-CD1 4.23Å
85S96.1Very high95.3Very high0 Ų039.8 Ų39.80%019%0.193CC..Hα-helixtrans-64.6-44179-59.90000112.6F43 Q69 I70 A73 F81 L82 L83 L87 N88 L89F43-S85 VanDerWaalsContact CE2-OG 3.29Å; F43-S85 WeakPolarHBondContact CE2-OG 3.19Å; Q69-S85 PolarHBondContact O-OG 2.75Å; I70-S85 VanDerWaalsContact CD1-CB 3.45Å; A73-S85 WeakPolarHBondContact CB-OG 3.2Å; F81-S85 WeakPolarHBondContact O-CB 3.49Å; F81-S85 PolarHBondContact O-N 3.32Å; F81-S85 PolarHBondContact O-OG 2.76Å; L82-S85 PolarHBondContact O-N 3.46Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-S85 PolarHBondContact O-N 3.09Å; S85-L87 VanDerWaalsContact C-N 3.3Å; S85-L87 PolarHBondContact O-N 2.71Å; S85-N88 PolarHBondContact O-N 3.37Å; S85-L89 PolarHBondContact O-N 2.73Å
86Y97.3Very high95.4Very high39 Ų3934.8 Ų34.815%0.15317%0.17CC..Hα-helixtrans-64.3-35.9175.2-81.5-61.6000112.1I70 L82 L83 L89 A90 Y105 T108 C109 L112I70-Y86 HydrophobicContact CD1-CD1 4.27Å; I70-Y86 HydrophobicContact CD1-CD2 3.84Å; I70-Y86 HydrophobicContact CD1-CE1 4.18Å; I70-Y86 HydrophobicContact CD1-CE2 3.73Å; I70-Y86 HydrophobicContact CD1-CG 4.1Å; I70-Y86 HydrophobicContact CG1-CE1 4.5Å; L82-Y86 WeakPolarHBondContact O-CD2 3.49Å; L82-Y86 PolarHBondContact O-N 3.05Å; L83-Y86 PolarHBondContact O-N 3.44Å; Y86-L89 HydrophobicContact CD1-CD1 4.3Å; Y86-L89 PolarHBondContact O-N 2.8Å; Y86-A90 WeakPolarHBondContact O-CB 3.45Å; Y86-A90 PolarHBondContact O-N 2.79Å; Y86-Y105 AromaticContact CD1-CD1 3.72Å; Y86-Y105 HydrophobicContact CD1-CD1 3.72Å; Y86-Y105 HydrophobicContact CD1-CE1 4.36Å; Y86-Y105 HydrophobicContact CE1-CD1 4.02Å; Y86-Y105 HydrophobicContact CE1-CE1 4.32Å; Y86-T108 HydrophobicContact CD1-CG2 4.24Å; Y86-T108 HydrophobicContact CD2-CG2 3.96Å; Y86-T108 HydrophobicContact CE1-CG2 4.01Å; Y86-T108 HydrophobicContact CE2-CG2 3.72Å; Y86-T108 HydrophobicContact CG-CG2 4.22Å; Y86-C109 WeakPolarHBondContact CB-SG 3.18Å; Y86-L112 HydrophobicContact CD2-CD1 4.3Å
87L97.3Very high95.6Very high2 Ų233.1 Ų33.11%0.0116%0.162CC..Hα-helixtrans-64.7-42173.7174.359.6000111.4L83 E84 S85 A90 R91 L121 Q124 V125L83-L87 WeakPolarHBondContact O-CB 3.39Å; L83-L87 PolarHBondContact O-N 2.93Å; E84-L87 WeakPolarHBondContact O-CB 3.29Å; E84-L87 PolarHBondContact O-N 3.34Å; S85-L87 VanDerWaalsContact C-N 3.3Å; S85-L87 PolarHBondContact O-N 2.71Å; L87-A90 WeakPolarHBondContact O-CB 3.38Å; L87-A90 PolarHBondContact O-N 3.41Å; L87-R91 HydrophobicContact CD1-CG 4.32Å; L87-R91 VanDerWaalsContact O-CG 3.31Å; L87-R91 WeakPolarHBondContact O-CG 3.43Å; L87-R91 PolarHBondContact O-N 3.21Å; L87-L121 HydrophobicContact CD2-CB 4.22Å; L87-L121 HydrophobicContact CD2-CD1 4.36Å; L87-L121 HydrophobicContact CD2-CD2 4.18Å; L87-L121 HydrophobicContact CD2-CG 4.5Å; L87-Q124 HydrophobicContact CD1-CB 4.45Å; L87-Q124 HydrophobicContact CD2-CB 3.83Å; L87-V125 HydrophobicContact CB-CG2 4.48Å; L87-V125 HydrophobicContact CD1-CG2 3.93Å; L87-V125 HydrophobicContact CD2-CG2 4.4Å
88N97.9Very high96Very high10 Ų1027.2 Ų27.25%0.05313%0.134CC..Hα-helixtrans-64.9-41.7176.3-76.2-17.9000111.8V50 A66 Q69 E84 S85 R91 S92V50-N88 HydrophobicContact CG1-CB 4.02Å; A66-N88 HydrophobicContact CB-CB 4.22Å; Q69-N88 PolarHBondContact OE1-ND2 2.6Å; E84-N88 PolarHBondContact O-N 2.98Å; S85-N88 PolarHBondContact O-N 3.37Å; N88-R91 PolarHBondContact O-N 3.33Å; N88-S92 PolarHBondContact O-N 3.5Å; N88-S92 PolarHBondContact O-OG 3.36Å; N88-S92 VanDerWaalsContact O-OG 3.04Å
89L97.8Very high96.4Very high6 Ų624.8 Ų24.83%0.03112%0.121CC..Hα-helixtrans-59.7-45.5170.8-78.2173.7000112.2L63 A66 V67 I70 S85 Y86 R91 S92 N93 Y105L63-L89 HydrophobicContact CD1-CD2 3.96Å; A66-L89 HydrophobicContact CB-CD2 3.81Å; A66-L89 HydrophobicContact CB-CG 4.13Å; V67-L89 HydrophobicContact CG2-CD2 3.69Å; I70-L89 HydrophobicContact CB-CD1 4.05Å; I70-L89 HydrophobicContact CG1-CD1 4.38Å; I70-L89 HydrophobicContact CG2-CD1 3.9Å; S85-L89 PolarHBondContact O-N 2.73Å; Y86-L89 HydrophobicContact CD1-CD1 4.3Å; Y86-L89 PolarHBondContact O-N 2.8Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.04Å; L89-S92 PolarHBondContact O-N 3.06Å; L89-N93 PolarHBondContact O-N 3.4Å; L89-N93 PolarHBondContact O-ND2 3.24Å; L89-Y105 HydrophobicContact CB-CD2 4.11Å; L89-Y105 HydrophobicContact CB-CE2 4.28Å; L89-Y105 HydrophobicContact CB-CG 4.32Å; L89-Y105 HydrophobicContact CD1-CE1 4.36Å
90A98.4Very high96.8Very high0 Ų029.7 Ų29.70%014%0.138CC..Hα-helixtrans-58.3-45.2178.300000111.1Y86 L87 N93 E94 T102Y86-A90 WeakPolarHBondContact O-CB 3.45Å; Y86-A90 PolarHBondContact O-N 2.79Å; L87-A90 WeakPolarHBondContact O-CB 3.38Å; L87-A90 PolarHBondContact O-N 3.41Å; A90-N93 PolarHBondContact O-N 3.44Å; A90-E94 WeakPolarHBondContact O-CB 3.5Å; A90-E94 PolarHBondContact O-N 3.46Å; A90-T102 HydrophobicContact CB-CG2 4.2Å; A90-T102 WeakPolarHBondContact O-CG2 3.48Å; A90-T102 PolarHBondContact O-OG1 2.98Å
91R98.1Very high97.1Very high43 Ų4332.1 Ų32.116%0.16215%0.147CC..Hα-helixtrans-65.5-42.4177.2-73.7169.1167.9178.3-8.3113.2M62 L87 N88 L89 N93 E94 K95 Q124 S128M62-R91 HydrophobicContact CE-CB 3.82Å; L87-R91 HydrophobicContact CD1-CG 4.32Å; L87-R91 VanDerWaalsContact O-CG 3.31Å; L87-R91 WeakPolarHBondContact O-CG 3.43Å; L87-R91 PolarHBondContact O-N 3.21Å; N88-R91 PolarHBondContact O-N 3.33Å; L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 3.04Å; R91-N93 VanDerWaalsContact C-N 3.31Å; R91-N93 PolarHBondContact O-N 2.9Å; R91-E94 WeakPolarHBondContact O-CB 3.33Å; R91-E94 PolarHBondContact O-N 2.95Å; R91-K95 WeakPolarHBondContact O-CG 3.41Å; R91-K95 PolarHBondContact O-N 3.42Å; R91-Q124 VanDerWaalsContact CZ-OE1 3.29Å; R91-Q124 VanDerWaalsContact NH2-CB 3.35Å; R91-Q124 VanDerWaalsContact NH2-CD 3.33Å; R91-S128 WeakPolarHBondContact CG-OG 3.42Å
92S98.1Very high97.4Very high0 Ų030.3 Ų30.30%014%0.139CC..Hα-helixtrans-60.6-43.8175.9-60.10000111.3M62 N88 L89 E94 K95 L96M62-S92 WeakPolarHBondContact CE-OG 3.48Å; M62-S92 WeakPolarHBondContact CG-OG 3.48Å; M62-S92 PolarHBondContact SD-OG 3.14Å; N88-S92 PolarHBondContact O-N 3.5Å; N88-S92 PolarHBondContact O-OG 3.36Å; N88-S92 VanDerWaalsContact O-OG 3.04Å; L89-S92 PolarHBondContact O-N 3.06Å; S92-E94 VanDerWaalsContact C-N 3.34Å; S92-K95 PolarHBondContact O-N 3.48Å; S92-L96 WeakPolarHBondContact O-CG 3.39Å; S92-L96 PolarHBondContact O-N 3.42Å; S92-L96 VanDerWaalsContact O-N 3.16Å
93N98.4Very high97.6Very high7 Ų729.4 Ų29.44%0.03713%0.134CC..Hα-helixtrans-66.9-35.9175.3-76.6-88.5000111.8L89 A90 R91 K95 L96 C97 E98 K101 T102L89-N93 PolarHBondContact O-N 3.4Å; L89-N93 PolarHBondContact O-ND2 3.24Å; A90-N93 PolarHBondContact O-N 3.44Å; R91-N93 VanDerWaalsContact C-N 3.31Å; R91-N93 PolarHBondContact O-N 2.9Å; N93-K95 PolarHBondContact O-N 3.38Å; N93-L96 CarbonylContact O-C 3.59Å; N93-L96 PolarHBondContact O-N 3.47Å; N93-C97 PolarHBondContact O-N 2.93Å; N93-C97 VanDerWaalsContact O-N 3.09Å; N93-E98 HydrophobicContact CB-CB 3.96Å; N93-E98 PolarHBondContact O-N 3.02Å; N93-K101 HydrophobicContact CB-CB 4.18Å; N93-K101 VanDerWaalsContact OD1-CD 3.32Å; N93-K101 WeakPolarHBondContact OD1-CD 3.38Å; N93-T102 VanDerWaalsContact C-OG1 3.3Å; N93-T102 WeakPolarHBondContact CB-OG1 3.3Å
94E98.1Very high97.8Very high21 Ų2132.3 Ų32.310%0.09815%0.154CC..Hα-helixtrans-60.6-46.5176.4-174.2-163.1131.900110.4A90 R91 S92 L96 C97 T102 S128 N131A90-E94 WeakPolarHBondContact O-CB 3.5Å; A90-E94 PolarHBondContact O-N 3.46Å; R91-E94 WeakPolarHBondContact O-CB 3.33Å; R91-E94 PolarHBondContact O-N 2.95Å; S92-E94 VanDerWaalsContact C-N 3.34Å; E94-L96 VanDerWaalsContact C-N 3.3Å; E94-L96 PolarHBondContact O-N 3.22Å; E94-C97 PolarHBondContact O-N 3.11Å; E94-T102 WeakPolarHBondContact CA-OG1 3.48Å; E94-T102 HydrophobicContact CB-CG2 4Å; E94-T102 PolarHBondContact N-OG1 2.76Å; E94-S128 VanDerWaalsContact OE2-CA 3.24Å; E94-S128 WeakPolarHBondContact OE2-CA 3.31Å; E94-S128 WeakPolarHBondContact OE2-CB 3.38Å; E94-S128 PolarHBondContact OE2-OG 3.21Å; E94-N131 HydrophobicContact CG-CB 4.16Å; E94-N131 PolarHBondContact OE1-ND2 3.19Å
95K96.9Very high97.9Very high77 Ų7732.4 Ų32.434%0.33515%0.153SC..Hα-helixtrans-66.6-29.3178.8-66.4-55.6-177.9-173.20113.7Y59 R91 S92 N93 C97Y59-K95 HydrophobicContact CD1-CB 3.76Å; Y59-K95 HydrophobicContact CD1-CG 4.11Å; Y59-K95 HydrophobicContact CD2-CB 3.72Å; Y59-K95 HydrophobicContact CE1-CB 3.88Å; Y59-K95 HydrophobicContact CE1-CD 4.13Å; Y59-K95 HydrophobicContact CE1-CG 3.88Å; Y59-K95 HydrophobicContact CE2-CB 3.86Å; Y59-K95 HydrophobicContact CG-CB 3.68Å; R91-K95 WeakPolarHBondContact O-CG 3.41Å; R91-K95 PolarHBondContact O-N 3.42Å; S92-K95 PolarHBondContact O-N 3.48Å; N93-K95 PolarHBondContact O-N 3.38Å; K95-C97 VanDerWaalsContact C-N 3.29Å
96L97.4Very high98Very high22 Ų2232.4 Ų32.412%0.11515%0.153CC..THydrogen-bonded Turntrans-86.22.6173.7-68.4169.3000113.4K60 L63 S92 N93 E94 E98K60-L96 HydrophobicContact CG-CD2 4.37Å; L63-L96 HydrophobicContact CB-CD1 4.24Å; L63-L96 HydrophobicContact CD2-CD1 3.82Å; S92-L96 WeakPolarHBondContact O-CG 3.39Å; S92-L96 PolarHBondContact O-N 3.42Å; S92-L96 VanDerWaalsContact O-N 3.16Å; N93-L96 CarbonylContact O-C 3.59Å; N93-L96 PolarHBondContact O-N 3.47Å; E94-L96 VanDerWaalsContact C-N 3.3Å; E94-L96 PolarHBondContact O-N 3.22Å; L96-E98 HydrophobicContact CB-CG 4.21Å; L96-E98 PolarHBondContact O-N 3.06Å
97C97.9Very high98Very high8 Ų836.9 Ų36.95%0.05417%0.173CC..THydrogen-bonded Turntrans63.524-177.3-50.80000114.6N93 E94 K95 F99 N281 R282 L283 V319N93-C97 PolarHBondContact O-N 2.93Å; N93-C97 VanDerWaalsContact O-N 3.09Å; E94-C97 PolarHBondContact O-N 3.11Å; K95-C97 VanDerWaalsContact C-N 3.29Å; C97-F99 HydrophobicContact CB-CE1 4.4Å; C97-F99 HydrophobicContact CB-CE2 3.92Å; C97-F99 HydrophobicContact CB-CZ 3.79Å; C97-F99 PolarHBondContact O-N 3.2Å; C97-F99 VanDerWaalsContact O-N 3.09Å; C97-N281 PolarHBondContact SG-OD1 3.24Å; C97-R282 HydrophobicContact CB-CB 4.45Å; C97-L283 HydrophobicContact CB-CB 4.4Å; C97-L283 VanDerWaalsContact SG-CB 3.55Å; C97-L283 PolarHBondContact SG-N 3.03Å; C97-L283 VanDerWaalsContact SG-N 3.44Å; C97-V319 HydrophobicContact CB-CG1 4.14Å; C97-V319 HydrophobicContact CB-CG2 4.25Å
98E98.3Very high97.9Very high53 Ų5339.2 Ų39.225%0.24819%0.187CC..  trans-86.660.3174.8-64.5-76.7147.100110N93 L96 H100 K101 T102 R282N93-E98 HydrophobicContact CB-CB 3.96Å; N93-E98 PolarHBondContact O-N 3.02Å; L96-E98 HydrophobicContact CB-CG 4.21Å; L96-E98 PolarHBondContact O-N 3.06Å; E98-H100 PolarHBondContact O-N 3.35Å; E98-K101 HydrophobicContact CB-CB 4.4Å; E98-K101 HydrophobicContact CB-CD 4.21Å; E98-K101 WeakPolarHBondContact O-CB 3.43Å; E98-K101 PolarHBondContact O-N 3.02Å; E98-K101 IonicContact OE2-NZ 2.78Å; E98-K101 PolarHBondContact OE2-NZ 3.18Å; E98-T102 PolarHBondContact O-N 2.92Å; E98-T102 VanDerWaalsContact O-N 3.08Å; E98-T102 PolarHBondContact O-OG1 3.49Å; E98-R282 IonicContact OE1-CZ 3.48Å; E98-R282 IonicContact OE1-NH1 2.76Å; E98-R282 PolarHBondContact OE1-NH1 3.4Å
99F98.6Very high97.7Very high10 Ų1039 Ų394%0.04419%0.186CC..Hα-helixtrans-63.5-34-164.2-60.3-52.9000114.5C97 K101 T102 I103 A132 G135 L136 L283 V319C97-F99 HydrophobicContact CB-CE1 4.4Å; C97-F99 HydrophobicContact CB-CE2 3.92Å; C97-F99 HydrophobicContact CB-CZ 3.79Å; C97-F99 PolarHBondContact O-N 3.2Å; C97-F99 VanDerWaalsContact O-N 3.09Å; F99-K101 VanDerWaalsContact C-N 3.33Å; F99-K101 PolarHBondContact O-N 3.14Å; F99-T102 WeakPolarHBondContact O-CB 3.42Å; F99-T102 PolarHBondContact O-N 2.6Å; F99-I103 WeakPolarHBondContact O-CG1 3.28Å; F99-I103 PolarHBondContact O-N 3.45Å; F99-A132 HydrophobicContact CB-CB 4.11Å; F99-A132 HydrophobicContact CD1-CB 4.06Å; F99-G135 VanDerWaalsContact CE2-CA 3.45Å; F99-G135 WeakPolarHBondContact CE2-O 3.39Å; F99-L136 HydrophobicContact CB-CD1 3.98Å; F99-L136 HydrophobicContact CB-CD2 3.91Å; F99-L136 HydrophobicContact CB-CG 3.62Å; F99-L136 HydrophobicContact CD2-CD2 4.15Å; F99-L136 HydrophobicContact CD2-CG 4.26Å; F99-L136 HydrophobicContact CG-CG 4.31Å; F99-L283 HydrophobicContact CE2-CD2 4.26Å; F99-L283 HydrophobicContact CZ-CD2 3.99Å; F99-V319 HydrophobicContact CD2-CG1 3.91Å; F99-V319 HydrophobicContact CE2-CG1 3.48Å; F99-V319 VanDerWaalsContact CE2-CG1 3.48Å
100H98.3Very high97.3Very high134 Ų13442 Ų4262%0.6220%0.202SC*.Hα-helixtrans-62.3-40174.5-73.1-68.8000112.1E98 I103 S104E98-H100 PolarHBondContact O-N 3.35Å; H100-I103 PolarHBondContact O-N 2.77Å; H100-S104 PolarHBondContact O-N 2.96Å
101K98.3Very high96.9Very high100 Ų10045 Ų4544%0.43523%0.234SC..Hα-helixtrans-67.8-42.3174.9-66.9177.2-174.7144.70110.9N93 E98 F99 I103 S104 Y105N93-K101 HydrophobicContact CB-CB 4.18Å; N93-K101 VanDerWaalsContact OD1-CD 3.32Å; N93-K101 WeakPolarHBondContact OD1-CD 3.38Å; E98-K101 HydrophobicContact CB-CB 4.4Å; E98-K101 HydrophobicContact CB-CD 4.21Å; E98-K101 WeakPolarHBondContact O-CB 3.43Å; E98-K101 PolarHBondContact O-N 3.02Å; E98-K101 IonicContact OE2-NZ 2.78Å; E98-K101 PolarHBondContact OE2-NZ 3.18Å; F99-K101 VanDerWaalsContact C-N 3.33Å; F99-K101 PolarHBondContact O-N 3.14Å; K101-I103 VanDerWaalsContact C-N 3.34Å; K101-I103 PolarHBondContact O-N 3.47Å; K101-S104 WeakPolarHBondContact O-CB 3.14Å; K101-S104 PolarHBondContact O-N 3.25Å; K101-S104 VanDerWaalsContact O-N 3.15Å; K101-Y105 HydrophobicContact CB-CD2 4.41Å; K101-Y105 HydrophobicContact CB-CE2 4.11Å; K101-Y105 WeakPolarHBondContact O-CD2 3.46Å; K101-Y105 PolarHBondContact O-N 3.03Å
102T98.7Very high96.4Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-54.6-49173.6-58.90000111.6A90 N93 E94 E98 F99 S104 Y105 C106 A132A90-T102 HydrophobicContact CB-CG2 4.2Å; A90-T102 WeakPolarHBondContact O-CG2 3.48Å; A90-T102 PolarHBondContact O-OG1 2.98Å; N93-T102 VanDerWaalsContact C-OG1 3.3Å; N93-T102 WeakPolarHBondContact CB-OG1 3.3Å; E94-T102 WeakPolarHBondContact CA-OG1 3.48Å; E94-T102 HydrophobicContact CB-CG2 4Å; E94-T102 PolarHBondContact N-OG1 2.76Å; E98-T102 PolarHBondContact O-N 2.92Å; E98-T102 VanDerWaalsContact O-N 3.08Å; E98-T102 PolarHBondContact O-OG1 3.49Å; F99-T102 WeakPolarHBondContact O-CB 3.42Å; F99-T102 PolarHBondContact O-N 2.6Å; T102-S104 VanDerWaalsContact C-N 3.32Å; T102-S104 PolarHBondContact O-N 3.35Å; T102-Y105 PolarHBondContact O-N 2.94Å; T102-C106 WeakPolarHBondContact O-CB 3.23Å; T102-C106 PolarHBondContact O-N 3.43Å; T102-C106 PolarHBondContact O-SG 3.22Å; T102-A132 HydrophobicContact CG2-CB 3.64Å
103I98.6Very high95.4Very high14 Ų1449.4 Ų49.47%0.07227%0.265CS..Hα-helixtrans-61.7-42.5178-68.3160.8000110.9F99 H100 K101 C106 K107 A132 F133 L136F99-I103 WeakPolarHBondContact O-CG1 3.28Å; F99-I103 PolarHBondContact O-N 3.45Å; H100-I103 PolarHBondContact O-N 2.77Å; K101-I103 VanDerWaalsContact C-N 3.34Å; K101-I103 PolarHBondContact O-N 3.47Å; I103-C106 PolarHBondContact O-N 3.5Å; I103-K107 HydrophobicContact CG2-CD 4.2Å; I103-K107 HydrophobicContact CG2-CG 4.47Å; I103-K107 WeakPolarHBondContact O-CB 3.46Å; I103-K107 WeakPolarHBondContact O-CG 3.45Å; I103-K107 PolarHBondContact O-N 3.47Å; I103-A132 HydrophobicContact CD1-CB 4.28Å; I103-A132 HydrophobicContact CG1-CB 3.81Å; I103-F133 HydrophobicContact CD1-CD1 3.62Å; I103-F133 HydrophobicContact CD1-CE1 3.53Å; I103-F133 HydrophobicContact CD1-CG 4.31Å; I103-F133 HydrophobicContact CD1-CZ 4.17Å; I103-F133 HydrophobicContact CG1-CD1 4.35Å; I103-F133 HydrophobicContact CG1-CE1 4.12Å; I103-F133 HydrophobicContact CG1-CZ 4.27Å; I103-F133 HydrophobicContact CG2-CE1 4.34Å; I103-F133 HydrophobicContact CG2-CZ 4.08Å; I103-L136 HydrophobicContact CD1-CD1 3.57Å
104S98.3Very high93.9Very high67 Ų6753.4 Ų53.447%0.46931%0.308SS..Hα-helixtrans-59.1-49.9177.3-168.70000111.6H100 K101 T102 K107 T108H100-S104 PolarHBondContact O-N 2.96Å; K101-S104 WeakPolarHBondContact O-CB 3.14Å; K101-S104 PolarHBondContact O-N 3.25Å; K101-S104 VanDerWaalsContact O-N 3.15Å; T102-S104 VanDerWaalsContact C-N 3.32Å; T102-S104 PolarHBondContact O-N 3.35Å; S104-K107 WeakPolarHBondContact O-CB 3.48Å; S104-K107 PolarHBondContact O-N 3.42Å; S104-T108 PolarHBondContact O-N 3.42Å; S104-T108 PolarHBondContact O-OG1 3.15Å; S104-T108 VanDerWaalsContact O-OG1 3.13Å
105Y98.1Very high92.5Very high68 Ų6853.9 Ų53.927%0.26731%0.313SS..Hα-helixtrans-66.8-39.3179.4-66.2-50.6000112.6Y86 L89 K101 T102 K107 T108 C109Y86-Y105 AromaticContact CD1-CD1 3.72Å; Y86-Y105 HydrophobicContact CD1-CD1 3.72Å; Y86-Y105 HydrophobicContact CD1-CE1 4.36Å; Y86-Y105 HydrophobicContact CE1-CD1 4.02Å; Y86-Y105 HydrophobicContact CE1-CE1 4.32Å; L89-Y105 HydrophobicContact CB-CD2 4.11Å; L89-Y105 HydrophobicContact CB-CE2 4.28Å; L89-Y105 HydrophobicContact CB-CG 4.32Å; L89-Y105 HydrophobicContact CD1-CE1 4.36Å; K101-Y105 HydrophobicContact CB-CD2 4.41Å; K101-Y105 HydrophobicContact CB-CE2 4.11Å; K101-Y105 WeakPolarHBondContact O-CD2 3.46Å; K101-Y105 PolarHBondContact O-N 3.03Å; T102-Y105 PolarHBondContact O-N 2.94Å; Y105-K107 VanDerWaalsContact C-N 3.32Å; Y105-K107 PolarHBondContact O-N 3.47Å; Y105-T108 WeakPolarHBondContact O-CB 3.44Å; Y105-T108 PolarHBondContact O-N 3.13Å; Y105-T108 VanDerWaalsContact O-N 3.15Å; Y105-C109 PolarHBondContact O-N 3.43Å; Y105-C109 PolarHBondContact O-SG 3.4Å; Y105-C109 VanDerWaalsContact O-SG 3.37Å
106C97.8Very high91.4Very high0 Ų059.6 Ų59.60%033%0.332CS..Hα-helixtrans-60.9-40.3173.2-72.70000111.9T102 I103 T108 C109 L110 V125 M129T102-C106 WeakPolarHBondContact O-CB 3.23Å; T102-C106 PolarHBondContact O-N 3.43Å; T102-C106 PolarHBondContact O-SG 3.22Å; I103-C106 PolarHBondContact O-N 3.5Å; C106-T108 VanDerWaalsContact C-N 3.33Å; C106-C109 WeakPolarHBondContact O-CB 3.34Å; C106-C109 PolarHBondContact O-N 3.41Å; C106-L110 WeakPolarHBondContact O-CG 3.44Å; C106-L110 PolarHBondContact O-N 2.92Å; C106-V125 HydrophobicContact CB-CG1 3.94Å; C106-M129 HydrophobicContact CB-CB 3.99Å; C106-M129 HydrophobicContact CB-CG 4.27Å; C106-M129 HydrophobicContact CB-SD 4.25Å
107K96.6Very high90.2Very high132 Ų13259.1 Ų59.157%0.57433%0.331SS*.Hα-helixtrans-63-40.4174-76.1176.8178.3-178.30111.5I103 S104 Y105 L110 G111I103-K107 HydrophobicContact CG2-CD 4.2Å; I103-K107 HydrophobicContact CG2-CG 4.47Å; I103-K107 WeakPolarHBondContact O-CB 3.46Å; I103-K107 WeakPolarHBondContact O-CG 3.45Å; I103-K107 PolarHBondContact O-N 3.47Å; S104-K107 WeakPolarHBondContact O-CB 3.48Å; S104-K107 PolarHBondContact O-N 3.42Å; Y105-K107 VanDerWaalsContact C-N 3.32Å; Y105-K107 PolarHBondContact O-N 3.47Å; K107-L110 PolarHBondContact O-N 3.44Å; K107-G111 PolarHBondContact O-N 2.94Å
108T95.1Very high89.2Confident51 Ų5159.7 Ų59.731%0.31334%0.338SS..Hα-helixtrans-60-47.3173.2-54.10000111.2Y86 S104 Y105 C106 L110 G111 L112Y86-T108 HydrophobicContact CD1-CG2 4.24Å; Y86-T108 HydrophobicContact CD2-CG2 3.96Å; Y86-T108 HydrophobicContact CE1-CG2 4.01Å; Y86-T108 HydrophobicContact CE2-CG2 3.72Å; Y86-T108 HydrophobicContact CG-CG2 4.22Å; S104-T108 PolarHBondContact O-N 3.42Å; S104-T108 PolarHBondContact O-OG1 3.15Å; S104-T108 VanDerWaalsContact O-OG1 3.13Å; Y105-T108 WeakPolarHBondContact O-CB 3.44Å; Y105-T108 PolarHBondContact O-N 3.13Å; Y105-T108 VanDerWaalsContact O-N 3.15Å; C106-T108 VanDerWaalsContact C-N 3.33Å; T108-L110 VanDerWaalsContact C-N 3.27Å; T108-L110 PolarHBondContact O-N 2.91Å; T108-G111 PolarHBondContact O-N 3.34Å; T108-G111 VanDerWaalsContact O-N 3.09Å; T108-L112 PolarHBondContact O-N 3.26Å
109C93.9Very high88.1Confident5 Ų559.9 Ų59.93%0.03435%0.349CS..Hα-helixtrans-54.3-43.4174.9-64.20000112.2L83 Y86 Y105 C106 G111 V125L83-C109 HydrophobicContact CG-CB 4.45Å; Y86-C109 WeakPolarHBondContact CB-SG 3.18Å; Y105-C109 PolarHBondContact O-N 3.43Å; Y105-C109 PolarHBondContact O-SG 3.4Å; Y105-C109 VanDerWaalsContact O-SG 3.37Å; C106-C109 WeakPolarHBondContact O-CB 3.34Å; C106-C109 PolarHBondContact O-N 3.41Å; C109-G111 VanDerWaalsContact C-N 3.31Å; C109-G111 PolarHBondContact O-N 3.41Å; C109-V125 HydrophobicContact CB-CG1 3.95Å; C109-V125 HydrophobicContact CB-CG2 3.83Å
110L90Very high87.4Confident69 Ų6964.7 Ų64.736%0.36137%0.371SS..Hα-helixtrans-73.9-20.2-178.7-66.6174.7000113.7C106 K107 T108 V125 M129C106-L110 WeakPolarHBondContact O-CG 3.44Å; C106-L110 PolarHBondContact O-N 2.92Å; K107-L110 PolarHBondContact O-N 3.44Å; T108-L110 VanDerWaalsContact C-N 3.27Å; T108-L110 PolarHBondContact O-N 2.91Å; L110-V125 HydrophobicContact CD2-CG1 4.08Å; L110-V125 HydrophobicContact CG-CG1 3.97Å; L110-M129 HydrophobicContact CD1-CE 4.12Å; L110-M129 HydrophobicContact CD1-SD 4.22Å
111G88.6Confident87Confident65 Ų6559.7 Ų59.767%0.6735%0.349SS*.Hα-helixtrans-90.1-10.6177.600000114.1K107 T108 C109K107-G111 PolarHBondContact O-N 2.94Å; T108-G111 PolarHBondContact O-N 3.34Å; T108-G111 VanDerWaalsContact O-N 3.09Å; C109-G111 VanDerWaalsContact C-N 3.31Å; C109-G111 PolarHBondContact O-N 3.41Å
112L87.9Confident86.7Confident41 Ų4155.1 Ų55.122%0.21533%0.331CS..SBendtrans-66.9146.6173.8-70.8171.5000110.1L82 L83 Y86 T108L82-L112 HydrophobicContact CB-CD1 4.35Å; L83-L112 HydrophobicContact CB-CD1 3.8Å; L83-L112 HydrophobicContact CG-CD1 4.37Å; Y86-L112 HydrophobicContact CD2-CD1 4.3Å; T108-L112 PolarHBondContact O-N 3.26Å
113P76.8Confident86.6Confident94 Ų9455.1 Ų55.161%0.6133%0.331SS*.  trans-50.9144178.5-24.432.9000111.3T115P113-T115 WeakPolarHBondContact O-CG2 3.44Å; P113-T115 PolarHBondContact O-N 3.31Å
114G68.1Low86.5Confident91 Ų9156.4 Ų56.494%0.93834%0.336SS*.  trans-59.997-176.600000112
115T69.2Low86.5Confident31 Ų3153.4 Ų53.419%0.1932%0.315CS..  trans-100.2168.2178.370.10000112.1A79 D80 P113 A117 G118 A119A79-T115 HydrophobicContact CB-CG2 3.68Å; D80-T115 WeakPolarHBondContact OD1-CB 3.24Å; D80-T115 PolarHBondContact OD1-OG1 3.04Å; P113-T115 WeakPolarHBondContact O-CG2 3.44Å; P113-T115 PolarHBondContact O-N 3.31Å; T115-A117 VanDerWaalsContact C-N 3.28Å; T115-A117 PolarHBondContact O-N 2.89Å; T115-A117 PolarHBondContact OG1-N 3.3Å; T115-G118 PolarHBondContact O-N 2.95Å; T115-G118 VanDerWaalsContact O-N 3.09Å; T115-G118 PolarHBondContact OG1-N 3.5Å; T115-A119 PolarHBondContact O-N 3.36Å
116R72.5Confident86.4Confident197 Ų19750.1 Ų50.174%0.74330%0.302SS*.Hα-helixtrans-59.5-40.5173-175.8-179.8177.4178.80.6111.2G118 A119 Q120R116-G118 VanDerWaalsContact C-N 3.29Å; R116-G118 PolarHBondContact O-N 3.02Å; R116-A119 PolarHBondContact O-N 2.96Å; R116-Q120 PolarHBondContact O-N 3.39Å
117A73.4Confident86.5Confident12 Ų1250.2 Ų50.210%0.09930%0.302CS..Hα-helixtrans-67-31.7175.100000111.9D80 T115 A119 Q120 L121D80-A117 HydrophobicContact CB-CB 3.85Å; D80-A117 VanDerWaalsContact CG-CB 3.47Å; D80-A117 WeakPolarHBondContact OD1-CB 3.37Å; D80-A117 PolarHBondContact OD1-N 3.48Å; T115-A117 VanDerWaalsContact C-N 3.28Å; T115-A117 PolarHBondContact O-N 2.89Å; T115-A117 PolarHBondContact OG1-N 3.3Å; A117-A119 VanDerWaalsContact C-N 3.3Å; A117-A119 PolarHBondContact O-N 3.47Å; A117-Q120 PolarHBondContact O-N 2.98Å; A117-Q120 VanDerWaalsContact O-N 3.14Å; A117-L121 HydrophobicContact CB-CD1 4.31Å; A117-L121 VanDerWaalsContact O-CB 3.31Å; A117-L121 WeakPolarHBondContact O-CB 3.42Å; A117-L121 PolarHBondContact O-N 3.25Å
118G75.2Confident86.6Confident20 Ų2043.9 Ų43.921%0.20628%0.275CS..Hα-helixtrans-57.9-38.7174.100000113.5T115 R116 G122T115-G118 PolarHBondContact O-N 2.95Å; T115-G118 VanDerWaalsContact O-N 3.09Å; T115-G118 PolarHBondContact OG1-N 3.5Å; R116-G118 VanDerWaalsContact C-N 3.29Å; R116-G118 PolarHBondContact O-N 3.02Å; G118-G122 WeakPolarHBondContact O-CA 3.38Å; G118-G122 PolarHBondContact O-N 3.19Å
119A76.9Confident86.7Confident56 Ų5642.5 Ų42.546%0.46327%0.265SS..Hα-helixtrans-69.1-35.7175.300000112.9T115 R116 A117 N156T115-A119 PolarHBondContact O-N 3.36Å; R116-A119 PolarHBondContact O-N 2.96Å; A117-A119 VanDerWaalsContact C-N 3.3Å; A117-A119 PolarHBondContact O-N 3.47Å; A119-N156 PolarHBondContact O-ND2 2.92Å
120Q82.6Confident87Confident111 Ų11142.2 Ų42.252%0.51926%0.263SS..Hα-helixtrans-80.7-42.9-179.1-66.8-177.4-18.900112.7R116 A117R116-Q120 PolarHBondContact O-N 3.39Å; A117-Q120 PolarHBondContact O-N 2.98Å; A117-Q120 VanDerWaalsContact O-N 3.14Å
121L90.2Very high87.4Confident30 Ų3040.4 Ų40.416%0.15725%0.254CS..Hα-helixtrans-93.1-10.8-174.2-63.6179.8000113.3L83 E84 L87 A117 G123 Q124 V125L83-L121 HydrophobicContact CD2-CB 3.68Å; L83-L121 HydrophobicContact CD2-CD1 3.52Å; L83-L121 HydrophobicContact CD2-CG 4.19Å; E84-L121 HydrophobicContact CB-CD1 4.23Å; L87-L121 HydrophobicContact CD2-CB 4.22Å; L87-L121 HydrophobicContact CD2-CD1 4.36Å; L87-L121 HydrophobicContact CD2-CD2 4.18Å; L87-L121 HydrophobicContact CD2-CG 4.5Å; A117-L121 HydrophobicContact CB-CD1 4.31Å; A117-L121 VanDerWaalsContact O-CB 3.31Å; A117-L121 WeakPolarHBondContact O-CB 3.42Å; A117-L121 PolarHBondContact O-N 3.25Å; L121-G123 PolarHBondContact O-N 2.97Å; L121-G123 VanDerWaalsContact O-N 3.15Å; L121-Q124 WeakPolarHBondContact O-CA 3.44Å; L121-Q124 WeakPolarHBondContact O-CB 3.49Å; L121-Q124 PolarHBondContact O-N 3.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.21Å; L121-V125 PolarHBondContact O-N 2.94Å
122G93.3Very high87.9Confident4 Ų437.3 Ų37.34%0.04122%0.222CC..Hα-helixtrans-55.2-34.3179.700000113.9G118 S126G118-G122 WeakPolarHBondContact O-CA 3.38Å; G118-G122 PolarHBondContact O-N 3.19Å; G122-S126 WeakPolarHBondContact O-CB 3.48Å; G122-S126 PolarHBondContact O-N 3.2Å; G122-S126 PolarHBondContact O-OG 2.83Å
123G95.7Very high88.4Confident0 Ų036.4 Ų36.40%022%0.217CC..Hα-helixtrans-66.9-41.2173.500000113.1L121 S126 L127 Y152L121-G123 PolarHBondContact O-N 2.97Å; L121-G123 VanDerWaalsContact O-N 3.15Å; G123-S126 PolarHBondContact O-N 3.48Å; G123-L127 WeakPolarHBondContact O-CB 3.42Å; G123-L127 PolarHBondContact O-N 3.42Å; G123-Y152 VanDerWaalsContact CA-CB 3.4Å
124Q96.5Very high89.4Confident41 Ų4132.4 Ų32.419%0.19219%0.19CC..Hα-helixtrans-67.6-39.9176.7-66.6-172.82600112.5L87 R91 L121 L127 S128 L161L87-Q124 HydrophobicContact CD1-CB 4.45Å; L87-Q124 HydrophobicContact CD2-CB 3.83Å; R91-Q124 VanDerWaalsContact CZ-OE1 3.29Å; R91-Q124 VanDerWaalsContact NH2-CB 3.35Å; R91-Q124 VanDerWaalsContact NH2-CD 3.33Å; L121-Q124 WeakPolarHBondContact O-CA 3.44Å; L121-Q124 WeakPolarHBondContact O-CB 3.49Å; L121-Q124 PolarHBondContact O-N 3.43Å; Q124-L127 PolarHBondContact O-N 3.4Å; Q124-S128 PolarHBondContact O-N 3Å; Q124-S128 VanDerWaalsContact O-N 3.09Å; Q124-L161 HydrophobicContact CG-CD1 4.46Å
125V97.3Very high90.8Very high3 Ų328.3 Ų28.32%0.01815%0.148CC..Hα-helixtrans-62.1-45.8173174.50000110.3L87 C106 C109 L110 L121 L127 S128 M129L87-V125 HydrophobicContact CB-CG2 4.48Å; L87-V125 HydrophobicContact CD1-CG2 3.93Å; L87-V125 HydrophobicContact CD2-CG2 4.4Å; C106-V125 HydrophobicContact CB-CG1 3.94Å; C109-V125 HydrophobicContact CB-CG1 3.95Å; C109-V125 HydrophobicContact CB-CG2 3.83Å; L110-V125 HydrophobicContact CD2-CG1 4.08Å; L110-V125 HydrophobicContact CG-CG1 3.97Å; L121-V125 WeakPolarHBondContact O-CG2 3.21Å; L121-V125 PolarHBondContact O-N 2.94Å; V125-L127 VanDerWaalsContact C-N 3.35Å; V125-L127 PolarHBondContact O-N 3.29Å; V125-S128 PolarHBondContact O-N 3.08Å; V125-M129 WeakPolarHBondContact O-CB 3.26Å; V125-M129 PolarHBondContact O-N 3.02Å
126S98.1Very high92.2Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-63.9-39.8179.6-57.40000111.7G122 G123 M129 G130 S145G122-S126 WeakPolarHBondContact O-CB 3.48Å; G122-S126 PolarHBondContact O-N 3.2Å; G122-S126 PolarHBondContact O-OG 2.83Å; G123-S126 PolarHBondContact O-N 3.48Å; S126-M129 PolarHBondContact O-N 3.1Å; S126-G130 PolarHBondContact O-N 3.14Å; S126-S145 WeakPolarHBondContact O-CB 3.45Å
127L98.5Very high93.4Very high1 Ų118 Ų181%0.00511%0.106CC..Hα-helixtrans-61.3-49.6174.2173.461.2000111.9G123 Q124 V125 M129 G130 N131 F146 A149 L161 R164 V165 S168G123-L127 WeakPolarHBondContact O-CB 3.42Å; G123-L127 PolarHBondContact O-N 3.42Å; Q124-L127 PolarHBondContact O-N 3.4Å; V125-L127 VanDerWaalsContact C-N 3.35Å; V125-L127 PolarHBondContact O-N 3.29Å; L127-M129 VanDerWaalsContact C-N 3.31Å; L127-M129 PolarHBondContact O-N 3.46Å; L127-G130 PolarHBondContact O-N 2.8Å; L127-N131 PolarHBondContact O-N 2.84Å; L127-F146 HydrophobicContact CD1-CD1 4.16Å; L127-F146 HydrophobicContact CD1-CE1 4.03Å; L127-A149 HydrophobicContact CB-CB 4.17Å; L127-L161 HydrophobicContact CB-CD1 4.22Å; L127-L161 HydrophobicContact CD2-CD1 3.88Å; L127-R164 HydrophobicContact CD2-CB 3.75Å; L127-V165 HydrophobicContact CB-CG2 4.45Å; L127-V165 HydrophobicContact CD1-CG2 4Å; L127-V165 HydrophobicContact CD2-CG2 4.47Å; L127-S168 WeakPolarHBondContact CD1-OG 3.42Å
128S98.5Very high94.5Very high0 Ų019.8 Ų19.80%012%0.116CC..Hα-helixtrans-63.9-37.1179-81.50000112.5R91 E94 Q124 V125 N131 A132R91-S128 WeakPolarHBondContact CG-OG 3.42Å; E94-S128 VanDerWaalsContact OE2-CA 3.24Å; E94-S128 WeakPolarHBondContact OE2-CA 3.31Å; E94-S128 WeakPolarHBondContact OE2-CB 3.38Å; E94-S128 PolarHBondContact OE2-OG 3.21Å; Q124-S128 PolarHBondContact O-N 3Å; Q124-S128 VanDerWaalsContact O-N 3.09Å; V125-S128 PolarHBondContact O-N 3.08Å; S128-N131 PolarHBondContact O-N 3.36Å; S128-A132 WeakPolarHBondContact O-CB 3.44Å; S128-A132 PolarHBondContact O-N 3.26Å
129M98.5Very high95.5Very high21 Ų2119.1 Ų19.110%0.10311%0.107CC..Hα-helixtrans-64.8-41.4173.3-169.2167.770.600112C106 L110 V125 S126 L127 A132 F133 S145C106-M129 HydrophobicContact CB-CB 3.99Å; C106-M129 HydrophobicContact CB-CG 4.27Å; C106-M129 HydrophobicContact CB-SD 4.25Å; L110-M129 HydrophobicContact CD1-CE 4.12Å; L110-M129 HydrophobicContact CD1-SD 4.22Å; V125-M129 WeakPolarHBondContact O-CB 3.26Å; V125-M129 PolarHBondContact O-N 3.02Å; S126-M129 PolarHBondContact O-N 3.1Å; L127-M129 VanDerWaalsContact C-N 3.31Å; L127-M129 PolarHBondContact O-N 3.46Å; M129-A132 PolarHBondContact O-N 3.01Å; M129-F133 HydrophobicContact CE-CE2 4.46Å; M129-F133 HydrophobicContact CG-CD2 3.83Å; M129-F133 HydrophobicContact CG-CE2 3.47Å; M129-F133 VanDerWaalsContact CG-CE2 3.47Å; M129-F133 HydrophobicContact CG-CZ 4.39Å; M129-F133 VanDerWaalsContact O-CD2 3.23Å; M129-F133 WeakPolarHBondContact O-CD2 3.47Å; M129-F133 PolarHBondContact O-N 3.42Å; M129-F133 HydrophobicContact SD-CE2 4.03Å; M129-S145 WeakPolarHBondContact CE-OG 3.45Å
130G98.6Very high96.3Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-63.4-43.7175.600000112.8S126 L127 A132 F133 L134 S145 F146S126-G130 PolarHBondContact O-N 3.14Å; L127-G130 PolarHBondContact O-N 2.8Å; G130-A132 VanDerWaalsContact C-N 3.32Å; G130-A132 PolarHBondContact O-N 3.01Å; G130-F133 PolarHBondContact O-N 3.31Å; G130-L134 WeakPolarHBondContact O-CB 3.47Å; G130-L134 PolarHBondContact O-N 3.46Å; G130-S145 VanDerWaalsContact CA-CB 3.44Å; G130-F146 VanDerWaalsContact C-CE1 3.43Å; G130-F146 WeakPolarHBondContact O-CZ 3.45Å
131N98.7Very high96.9Very high31 Ų3118.8 Ų18.817%0.1669%0.094CC..Hα-helixtrans-61.2-40.5174.9-72.9-11.4000111.7E94 L127 S128 L134 G135 F146 S168E94-N131 HydrophobicContact CG-CB 4.16Å; E94-N131 PolarHBondContact OE1-ND2 3.19Å; L127-N131 PolarHBondContact O-N 2.84Å; S128-N131 PolarHBondContact O-N 3.36Å; N131-L134 PolarHBondContact O-N 3.09Å; N131-G135 PolarHBondContact O-N 3.07Å; N131-F146 WeakPolarHBondContact OD1-CE1 3.47Å; N131-S168 PolarHBondContact OD1-OG 3.47Å
132A98.8Very high97.3Very high0 Ų017.3 Ų17.30%09%0.087CC..Hα-helixtrans-68-42.8177.400000112.7F99 T102 I103 S128 M129 G130 L134 G135 L136F99-A132 HydrophobicContact CB-CB 4.11Å; F99-A132 HydrophobicContact CD1-CB 4.06Å; T102-A132 HydrophobicContact CG2-CB 3.64Å; I103-A132 HydrophobicContact CD1-CB 4.28Å; I103-A132 HydrophobicContact CG1-CB 3.81Å; S128-A132 WeakPolarHBondContact O-CB 3.44Å; S128-A132 PolarHBondContact O-N 3.26Å; M129-A132 PolarHBondContact O-N 3.01Å; G130-A132 VanDerWaalsContact C-N 3.32Å; G130-A132 PolarHBondContact O-N 3.01Å; A132-L134 VanDerWaalsContact C-N 3.33Å; A132-L134 PolarHBondContact O-N 3.41Å; A132-G135 CarbonylContact O-C 3.5Å; A132-G135 PolarHBondContact O-N 3.13Å; A132-L136 PolarHBondContact O-N 2.89Å
133F98.6Very high97.5Very high22 Ų2217.2 Ų17.210%0.0969%0.085CC..Hα-helixtrans-62.8-40.1173.3-77.3-52.8000112I103 M129 G130 G135 L136 S137 V138 K141 A142I103-F133 HydrophobicContact CD1-CD1 3.62Å; I103-F133 HydrophobicContact CD1-CE1 3.53Å; I103-F133 HydrophobicContact CD1-CG 4.31Å; I103-F133 HydrophobicContact CD1-CZ 4.17Å; I103-F133 HydrophobicContact CG1-CD1 4.35Å; I103-F133 HydrophobicContact CG1-CE1 4.12Å; I103-F133 HydrophobicContact CG1-CZ 4.27Å; I103-F133 HydrophobicContact CG2-CE1 4.34Å; I103-F133 HydrophobicContact CG2-CZ 4.08Å; M129-F133 HydrophobicContact CE-CE2 4.46Å; M129-F133 HydrophobicContact CG-CD2 3.83Å; M129-F133 HydrophobicContact CG-CE2 3.47Å; M129-F133 VanDerWaalsContact CG-CE2 3.47Å; M129-F133 HydrophobicContact CG-CZ 4.39Å; M129-F133 VanDerWaalsContact O-CD2 3.23Å; M129-F133 WeakPolarHBondContact O-CD2 3.47Å; M129-F133 PolarHBondContact O-N 3.42Å; M129-F133 HydrophobicContact SD-CE2 4.03Å; G130-F133 PolarHBondContact O-N 3.31Å; F133-G135 VanDerWaalsContact C-N 3.32Å; F133-G135 PolarHBondContact O-N 2.9Å; F133-L136 CarbonylContact O-C 3.54Å; F133-L136 PolarHBondContact O-N 3.48Å; F133-S137 PolarHBondContact O-N 3.29Å; F133-V138 HydrophobicContact CB-CB 4.33Å; F133-V138 HydrophobicContact CD1-CB 3.98Å; F133-V138 HydrophobicContact CD1-CG1 4.22Å; F133-V138 HydrophobicContact CD1-CG2 4.41Å; F133-V138 PolarHBondContact O-N 2.92Å; F133-K141 HydrophobicContact CB-CB 4.34Å; F133-K141 HydrophobicContact CD1-CB 3.93Å; F133-K141 HydrophobicContact CD1-CD 4.22Å; F133-K141 HydrophobicContact CD2-CB 3.63Å; F133-K141 HydrophobicContact CE1-CB 4.08Å; F133-K141 HydrophobicContact CE1-CD 3.68Å; F133-K141 HydrophobicContact CE2-CB 3.77Å; F133-K141 HydrophobicContact CE2-CD 4.36Å; F133-K141 HydrophobicContact CG-CB 3.72Å; F133-K141 HydrophobicContact CZ-CB 4.01Å; F133-K141 HydrophobicContact CZ-CD 3.77Å; F133-A142 HydrophobicContact CB-CB 3.77Å
134L98.5Very high97.5Very high9 Ų921.7 Ų21.75%0.04711%0.106CC..Hα-helixtrans-63.1-40.7173.4-177.157.4000111.3G130 N131 A132 L136 S137 F139 A142 F146 F172G130-L134 WeakPolarHBondContact O-CB 3.47Å; G130-L134 PolarHBondContact O-N 3.46Å; N131-L134 PolarHBondContact O-N 3.09Å; A132-L134 VanDerWaalsContact C-N 3.33Å; A132-L134 PolarHBondContact O-N 3.41Å; L134-L136 PolarHBondContact O-N 2.7Å; L134-S137 PolarHBondContact O-N 3.28Å; L134-F139 HydrophobicContact CD1-CD1 4.1Å; L134-F139 HydrophobicContact CD1-CE1 3.89Å; L134-A142 HydrophobicContact CB-CB 4.06Å; L134-F146 HydrophobicContact CB-CZ 4.41Å; L134-F146 HydrophobicContact CD2-CE2 4.27Å; L134-F146 HydrophobicContact CD2-CZ 4.25Å; L134-F172 HydrophobicContact CD1-CD2 3.87Å; L134-F172 HydrophobicContact CD2-CB 4.21Å
135G98.1Very high97.6Very high5 Ų519.9 Ų19.95%0.05210%0.098CC..Hα-helixtrans-61.2-28.3173.500000114.2F99 N131 A132 F133 N321F99-G135 VanDerWaalsContact CE2-CA 3.45Å; F99-G135 WeakPolarHBondContact CE2-O 3.39Å; N131-G135 PolarHBondContact O-N 3.07Å; A132-G135 CarbonylContact O-C 3.5Å; A132-G135 PolarHBondContact O-N 3.13Å; F133-G135 VanDerWaalsContact C-N 3.32Å; F133-G135 PolarHBondContact O-N 2.9Å; G135-N321 WeakPolarHBondContact O-CB 3.45Å; G135-N321 PolarHBondContact O-ND2 2.82Å
136L98Very high97.7Very high11 Ų1119.8 Ų19.86%0.05810%0.097CC..THydrogen-bonded Turntrans-92.6-1.2171.8-66.8174.4000113.5F99 I103 A132 F133 L134 V138F99-L136 HydrophobicContact CB-CD1 3.98Å; F99-L136 HydrophobicContact CB-CD2 3.91Å; F99-L136 HydrophobicContact CB-CG 3.62Å; F99-L136 HydrophobicContact CD2-CD2 4.15Å; F99-L136 HydrophobicContact CD2-CG 4.26Å; F99-L136 HydrophobicContact CG-CG 4.31Å; I103-L136 HydrophobicContact CD1-CD1 3.57Å; A132-L136 PolarHBondContact O-N 2.89Å; F133-L136 CarbonylContact O-C 3.54Å; F133-L136 PolarHBondContact O-N 3.48Å; L134-L136 PolarHBondContact O-N 2.7Å; L136-V138 VanDerWaalsContact C-N 3.3Å; L136-V138 HydrophobicContact CB-CG2 4Å; L136-V138 PolarHBondContact O-N 2.94Å
137S97.2Very high97.6Very high1 Ų122.3 Ų22.31%0.00711%0.109CC..THydrogen-bonded Turntrans63.330.4-174.8-43.20000114.3F133 L134 F139 N321 L323F133-S137 PolarHBondContact O-N 3.29Å; L134-S137 PolarHBondContact O-N 3.28Å; S137-F139 WeakPolarHBondContact O-CD2 3.45Å; S137-F139 VanDerWaalsContact O-CE2 3.25Å; S137-F139 WeakPolarHBondContact O-CE2 3.34Å; S137-F139 PolarHBondContact O-N 3.45Å; S137-N321 PolarHBondContact OG-ND2 3.19Å; S137-L323 WeakPolarHBondContact OG-CB 3.49Å; S137-L323 PolarHBondContact OG-N 3.12Å
138V96.9Very high97.5Very high49 Ų4925.3 Ų25.330%0.29712%0.122SC..  trans-92.677.3173.3-171.90000109F133 L136 Q140 K141 A142F133-V138 HydrophobicContact CB-CB 4.33Å; F133-V138 HydrophobicContact CD1-CB 3.98Å; F133-V138 HydrophobicContact CD1-CG1 4.22Å; F133-V138 HydrophobicContact CD1-CG2 4.41Å; F133-V138 PolarHBondContact O-N 2.92Å; L136-V138 VanDerWaalsContact C-N 3.3Å; L136-V138 HydrophobicContact CB-CG2 4Å; L136-V138 PolarHBondContact O-N 2.94Å; V138-Q140 PolarHBondContact O-N 2.73Å; V138-K141 HydrophobicContact CG1-CB 3.99Å; V138-K141 HydrophobicContact CG1-CD 3.85Å; V138-K141 HydrophobicContact CG1-CG 3.94Å; V138-K141 PolarHBondContact O-N 3.39Å; V138-A142 WeakPolarHBondContact O-CB 3.37Å; V138-A142 PolarHBondContact O-N 3.35Å
139F95.4Very high97.5Very high6 Ų625.3 Ų25.33%0.02612%0.122CC..Hα-helixtrans-64-41.8-162.8-65-77.4000114.5L134 S137 K141 A142 L143 F172 Q175 V176 L323 T359 L361L134-F139 HydrophobicContact CD1-CD1 4.1Å; L134-F139 HydrophobicContact CD1-CE1 3.89Å; S137-F139 WeakPolarHBondContact O-CD2 3.45Å; S137-F139 VanDerWaalsContact O-CE2 3.25Å; S137-F139 WeakPolarHBondContact O-CE2 3.34Å; S137-F139 PolarHBondContact O-N 3.45Å; F139-K141 PolarHBondContact O-N 3.05Å; F139-A142 WeakPolarHBondContact O-CB 3.05Å; F139-A142 PolarHBondContact O-N 3.45Å; F139-L143 PolarHBondContact O-N 3.44Å; F139-F172 HydrophobicContact CB-CE2 3.94Å; F139-F172 HydrophobicContact CB-CZ 4.09Å; F139-F172 HydrophobicContact CD1-CD2 4.37Å; F139-F172 AromaticContact CD1-CE2 3.78Å; F139-F172 HydrophobicContact CD1-CE2 3.78Å; F139-F172 HydrophobicContact CD1-CZ 4.26Å; F139-F172 HydrophobicContact CG-CE2 4.37Å; F139-F172 VanDerWaalsContact O-CE2 3.3Å; F139-F172 WeakPolarHBondContact O-CE2 3.49Å; F139-Q175 HydrophobicContact CE1-CB 3.98Å; F139-V176 HydrophobicContact CD1-CG1 3.51Å; F139-V176 HydrophobicContact CE1-CG1 3.86Å; F139-V176 HydrophobicContact CG-CG1 4Å; F139-L323 HydrophobicContact CZ-CB 4.4Å; F139-L323 HydrophobicContact CZ-CD2 4.14Å; F139-T359 HydrophobicContact CE2-CG2 4.23Å; F139-L361 HydrophobicContact CB-CD2 4.03Å; F139-L361 HydrophobicContact CD2-CD1 3.73Å; F139-L361 HydrophobicContact CD2-CD2 3.45Å; F139-L361 VanDerWaalsContact CD2-CD2 3.45Å; F139-L361 HydrophobicContact CD2-CG 3.51Å; F139-L361 HydrophobicContact CE2-CD1 3.4Å; F139-L361 VanDerWaalsContact CE2-CD1 3.4Å; F139-L361 HydrophobicContact CE2-CD2 4.04Å; F139-L361 HydrophobicContact CE2-CG 3.73Å; F139-L361 HydrophobicContact CG-CD2 3.75Å; F139-L361 HydrophobicContact CG-CG 4.32Å; F139-L361 HydrophobicContact CZ-CD1 4.01Å
140Q93.7Very high97.4Very high56 Ų5625.7 Ų25.726%0.26212%0.124SC..Hα-helixtrans-60.7-48.5180-175.1-171-200111.8V138 A142 L143 E144 C382 H384V138-Q140 PolarHBondContact O-N 2.73Å; Q140-A142 VanDerWaalsContact C-N 3.31Å; Q140-A142 PolarHBondContact O-N 2.95Å; Q140-L143 PolarHBondContact O-N 3.21Å; Q140-E144 PolarHBondContact O-N 3.04Å; Q140-C382 PolarHBondContact NE2-O 3.37Å; Q140-H384 PolarHBondContact NE2-CE1 3.13Å; Q140-H384 PolarHBondContact NE2-ND1 3.36Å; Q140-H384 PolarHBondContact NE2-NE2 3.01Å; Q140-H384 PolarHBondContact OE1-NE2 3.16Å
141K96.4Very high97.2Very high104 Ų10432.2 Ų32.245%0.45215%0.149SC..Hα-helixtrans-68.8-32.2179.8-63-176.5-175.3161.20112F133 V138 F139 S145F133-K141 HydrophobicContact CB-CB 4.34Å; F133-K141 HydrophobicContact CD1-CB 3.93Å; F133-K141 HydrophobicContact CD1-CD 4.22Å; F133-K141 HydrophobicContact CD2-CB 3.63Å; F133-K141 HydrophobicContact CE1-CB 4.08Å; F133-K141 HydrophobicContact CE1-CD 3.68Å; F133-K141 HydrophobicContact CE2-CB 3.77Å; F133-K141 HydrophobicContact CE2-CD 4.36Å; F133-K141 HydrophobicContact CG-CB 3.72Å; F133-K141 HydrophobicContact CZ-CB 4.01Å; F133-K141 HydrophobicContact CZ-CD 3.77Å; V138-K141 HydrophobicContact CG1-CB 3.99Å; V138-K141 HydrophobicContact CG1-CD 3.85Å; V138-K141 HydrophobicContact CG1-CG 3.94Å; V138-K141 PolarHBondContact O-N 3.39Å; F139-K141 PolarHBondContact O-N 3.05Å; K141-S145 WeakPolarHBondContact O-CB 3.33Å; K141-S145 PolarHBondContact O-N 3.32Å; K141-S145 PolarHBondContact O-OG 2.88Å
142A98.1Very high97Very high0 Ų033.8 Ų33.80%015%0.153CC..Hα-helixtrans-61.1-50.4172.500000110.7F133 L134 V138 F139 Q140 S145 F146 F172F133-A142 HydrophobicContact CB-CB 3.77Å; L134-A142 HydrophobicContact CB-CB 4.06Å; V138-A142 WeakPolarHBondContact O-CB 3.37Å; V138-A142 PolarHBondContact O-N 3.35Å; F139-A142 WeakPolarHBondContact O-CB 3.05Å; F139-A142 PolarHBondContact O-N 3.45Å; Q140-A142 VanDerWaalsContact C-N 3.31Å; Q140-A142 PolarHBondContact O-N 2.95Å; A142-S145 WeakPolarHBondContact O-CB 3.46Å; A142-S145 PolarHBondContact O-N 3.32Å; A142-F146 HydrophobicContact CB-CE2 4.18Å; A142-F146 WeakPolarHBondContact O-CD2 3.5Å; A142-F146 WeakPolarHBondContact O-CG 3.19Å; A142-F146 PolarHBondContact O-N 3Å; A142-F172 HydrophobicContact CB-CD2 4.19Å; A142-F172 HydrophobicContact CB-CE2 4.08Å
143L97.3Very high96.8Very high2 Ų233.8 Ų33.81%0.0115%0.154CC..Hα-helixtrans-63.5-44.6179.2-175.160000112.1F139 Q140 S145 F146 E147 L169 F172 A379 I385F139-L143 PolarHBondContact O-N 3.44Å; Q140-L143 PolarHBondContact O-N 3.21Å; L143-S145 PolarHBondContact O-N 2.89Å; L143-F146 PolarHBondContact O-N 3.21Å; L143-F146 VanDerWaalsContact O-N 3.15Å; L143-E147 HydrophobicContact CD1-CG 4.3Å; L143-E147 HydrophobicContact CG-CG 4.39Å; L143-E147 WeakPolarHBondContact O-CG 3.49Å; L143-E147 PolarHBondContact O-N 3.28Å; L143-L169 HydrophobicContact CD1-CD2 3.76Å; L143-F172 HydrophobicContact CB-CE1 4.44Å; L143-F172 HydrophobicContact CB-CE2 4.15Å; L143-F172 HydrophobicContact CB-CZ 3.94Å; L143-F172 HydrophobicContact CD1-CE1 4.35Å; L143-F172 HydrophobicContact CD2-CE1 4.44Å; L143-F172 HydrophobicContact CD2-CZ 4.5Å; L143-A379 HydrophobicContact CD2-CB 3.49Å; L143-A379 VanDerWaalsContact CD2-CB 3.49Å; L143-I385 HydrophobicContact CD2-CD1 3.95Å; L143-I385 HydrophobicContact CD2-CG1 3.85Å
144E96.8Very high96.6Very high93 Ų9336.8 Ų36.844%0.43517%0.168SC..Hα-helixtrans-55.6-41.8175.1-177.4-180-17400111.8Q140 K148 S383Q140-E144 PolarHBondContact O-N 3.04Å; E144-K148 WeakPolarHBondContact O-CB 3.42Å; E144-K148 PolarHBondContact O-N 3.32Å; E144-S383 VanDerWaalsContact CA-OG 3.27Å; E144-S383 WeakPolarHBondContact CA-OG 3.34Å; E144-S383 WeakPolarHBondContact CB-OG 3.49Å
145S98.3Very high96.4Very high4 Ų442.6 Ų42.63%0.02820%0.199CC..Hα-helixtrans-69.5-39.3179.1-57.90000112.1S126 M129 G130 K141 A142 L143 K148 A149S126-S145 WeakPolarHBondContact O-CB 3.45Å; M129-S145 WeakPolarHBondContact CE-OG 3.45Å; G130-S145 VanDerWaalsContact CA-CB 3.44Å; K141-S145 WeakPolarHBondContact O-CB 3.33Å; K141-S145 PolarHBondContact O-N 3.32Å; K141-S145 PolarHBondContact O-OG 2.88Å; A142-S145 WeakPolarHBondContact O-CB 3.46Å; A142-S145 PolarHBondContact O-N 3.32Å; L143-S145 PolarHBondContact O-N 2.89Å; S145-K148 PolarHBondContact O-N 3.34Å; S145-A149 WeakPolarHBondContact O-CB 3.25Å; S145-A149 PolarHBondContact O-N 2.93Å
146F98.5Very high96.1Very high0 Ų045.7 Ų45.70%021%0.214CC..Hα-helixtrans-67.8-42174.7-63.6-40.1000112.3L127 G130 N131 L134 A142 L143 K148 A149 L150 V165 L169 F172L127-F146 HydrophobicContact CD1-CD1 4.16Å; L127-F146 HydrophobicContact CD1-CE1 4.03Å; G130-F146 VanDerWaalsContact C-CE1 3.43Å; G130-F146 WeakPolarHBondContact O-CZ 3.45Å; N131-F146 WeakPolarHBondContact OD1-CE1 3.47Å; L134-F146 HydrophobicContact CB-CZ 4.41Å; L134-F146 HydrophobicContact CD2-CE2 4.27Å; L134-F146 HydrophobicContact CD2-CZ 4.25Å; A142-F146 HydrophobicContact CB-CE2 4.18Å; A142-F146 WeakPolarHBondContact O-CD2 3.5Å; A142-F146 WeakPolarHBondContact O-CG 3.19Å; A142-F146 PolarHBondContact O-N 3Å; L143-F146 PolarHBondContact O-N 3.21Å; L143-F146 VanDerWaalsContact O-N 3.15Å; F146-K148 VanDerWaalsContact C-N 3.28Å; F146-K148 PolarHBondContact O-N 3.41Å; F146-A149 WeakPolarHBondContact O-CB 3.45Å; F146-A149 PolarHBondContact O-N 3.32Å; F146-A149 VanDerWaalsContact O-N 3.13Å; F146-L150 PolarHBondContact O-N 3.48Å; F146-V165 HydrophobicContact CB-CG1 4.01Å; F146-V165 HydrophobicContact CD1-CG1 4.43Å; F146-L169 HydrophobicContact CB-CD2 3.74Å; F146-L169 HydrophobicContact CB-CG 4.12Å; F146-L169 HydrophobicContact CD2-CD2 3.85Å; F146-L169 HydrophobicContact CD2-CG 4.46Å; F146-L169 HydrophobicContact CG-CD2 4.12Å; F146-L169 HydrophobicContact CG-CG 4.44Å; F146-F172 HydrophobicContact CD2-CD2 4.41Å; F146-F172 HydrophobicContact CE2-CB 4.13Å; F146-F172 HydrophobicContact CE2-CD2 4.09Å; F146-F172 HydrophobicContact CE2-CG 4.43Å
147E96.8Very high95.7Very high54 Ų5452 Ų5225%0.25225%0.248SC..Hα-helixtrans-62.8-36173.8-72173.9164.400111.7L143 R151 S383L143-E147 HydrophobicContact CD1-CG 4.3Å; L143-E147 HydrophobicContact CG-CG 4.39Å; L143-E147 WeakPolarHBondContact O-CG 3.49Å; L143-E147 PolarHBondContact O-N 3.28Å; E147-R151 WeakPolarHBondContact O-CG 3.45Å; E147-R151 PolarHBondContact O-N 2.94Å; E147-R151 VanDerWaalsContact O-N 3.16Å; E147-R151 PolarHBondContact O-NE 3.06Å; E147-S383 PolarHBondContact OE2-OG 3.42Å
148K96.2Very high95.5Very high63 Ų6354 Ų5427%0.27426%0.258SS..Hα-helixtrans-65.7-44.4171.1-171.2175.7176.2179.20111.3E144 S145 F146 R151 Y152E144-K148 WeakPolarHBondContact O-CB 3.42Å; E144-K148 PolarHBondContact O-N 3.32Å; S145-K148 PolarHBondContact O-N 3.34Å; F146-K148 VanDerWaalsContact C-N 3.28Å; F146-K148 PolarHBondContact O-N 3.41Å; K148-R151 PolarHBondContact O-N 3.49Å; K148-Y152 HydrophobicContact CD-CE2 4.49Å; K148-Y152 HydrophobicContact CG-CD2 4.22Å; K148-Y152 HydrophobicContact CG-CE2 3.95Å; K148-Y152 VanDerWaalsContact O-CD2 3.27Å; K148-Y152 WeakPolarHBondContact O-CD2 3.43Å; K148-Y152 PolarHBondContact O-N 3.03Å; K148-Y152 VanDerWaalsContact O-N 3.15Å
149A97.7Very high95.1Very high0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-62.8-41.5177.700000112.6L127 S145 F146 Y152 A153 V165L127-A149 HydrophobicContact CB-CB 4.17Å; S145-A149 WeakPolarHBondContact O-CB 3.25Å; S145-A149 PolarHBondContact O-N 2.93Å; F146-A149 WeakPolarHBondContact O-CB 3.45Å; F146-A149 PolarHBondContact O-N 3.32Å; F146-A149 VanDerWaalsContact O-N 3.13Å; A149-Y152 PolarHBondContact O-N 3.43Å; A149-A153 PolarHBondContact O-N 2.81Å; A149-V165 HydrophobicContact CB-CG1 4.4Å; A149-V165 HydrophobicContact CB-CG2 3.55Å
150L96.4Very high94.9Very high29 Ų2954.1 Ų54.115%0.15226%0.258CS..Hα-helixtrans-60.3-43.9173.6-82.9174.4000112.1F146 Y152 A153 H154 E162 V165 L169F146-L150 PolarHBondContact O-N 3.48Å; L150-Y152 VanDerWaalsContact C-N 3.29Å; L150-Y152 PolarHBondContact O-N 3.27Å; L150-A153 WeakPolarHBondContact O-CA 3.46Å; L150-A153 WeakPolarHBondContact O-CB 3.27Å; L150-A153 PolarHBondContact O-N 3.31Å; L150-H154 PolarHBondContact O-N 3.19Å; L150-E162 HydrophobicContact CD2-CG 3.96Å; L150-V165 HydrophobicContact CD1-CG1 4.32Å; L150-V165 HydrophobicContact CD2-CB 4.04Å; L150-V165 HydrophobicContact CD2-CG1 3.99Å; L150-V165 HydrophobicContact CG-CB 4.19Å; L150-V165 HydrophobicContact CG-CG1 3.62Å; L150-L169 HydrophobicContact CD1-CD1 3.6Å; L150-L169 HydrophobicContact CG-CD1 4.42Å
151R95.3Very high94.9Very high137 Ų13751.6 Ų51.652%0.51725%0.246SC..Hα-helixtrans-59.3-40.1176.1-76.7179.8-73.7170.5-5.3112.4E147 K148 N155E147-R151 WeakPolarHBondContact O-CG 3.45Å; E147-R151 PolarHBondContact O-N 2.94Å; E147-R151 VanDerWaalsContact O-N 3.16Å; E147-R151 PolarHBondContact O-NE 3.06Å; K148-R151 PolarHBondContact O-N 3.49Å; R151-N155 VanDerWaalsContact O-CB 3.25Å; R151-N155 WeakPolarHBondContact O-CB 3.34Å; R151-N155 PolarHBondContact O-N 2.77Å; R151-N155 PolarHBondContact O-ND2 3.3Å; R151-N155 PolarHBondContact O-OD1 2.59Å
152Y95.1Very high94.8Very high64 Ų6447.6 Ų47.625%0.25123%0.229SC..Hα-helixtrans-64.8-42.3172.4-83.5-76.5000112.1G123 K148 A149 L150 H154 N155 N156G123-Y152 VanDerWaalsContact CA-CB 3.4Å; K148-Y152 HydrophobicContact CD-CE2 4.49Å; K148-Y152 HydrophobicContact CG-CD2 4.22Å; K148-Y152 HydrophobicContact CG-CE2 3.95Å; K148-Y152 VanDerWaalsContact O-CD2 3.27Å; K148-Y152 WeakPolarHBondContact O-CD2 3.43Å; K148-Y152 PolarHBondContact O-N 3.03Å; K148-Y152 VanDerWaalsContact O-N 3.15Å; A149-Y152 PolarHBondContact O-N 3.43Å; L150-Y152 VanDerWaalsContact C-N 3.29Å; L150-Y152 PolarHBondContact O-N 3.27Å; Y152-H154 VanDerWaalsContact C-N 3.34Å; Y152-H154 PolarHBondContact O-N 3.01Å; Y152-N155 PolarHBondContact O-N 2.94Å; Y152-N156 VanDerWaalsContact O-CB 3.23Å; Y152-N156 WeakPolarHBondContact O-CB 3.27Å; Y152-N156 VanDerWaalsContact O-CG 3.29Å; Y152-N156 PolarHBondContact O-N 3.2Å
153A94.4Very high94.7Very high1 Ų147.6 Ų47.61%0.00823%0.229CC..Hα-helixtrans-58.5-47.5178.200000111.2A149 L150 D157 D158 L161 E162A149-A153 PolarHBondContact O-N 2.81Å; L150-A153 WeakPolarHBondContact O-CA 3.46Å; L150-A153 WeakPolarHBondContact O-CB 3.27Å; L150-A153 PolarHBondContact O-N 3.31Å; A153-D157 CarbonylContact O-C 3.52Å; A153-D157 WeakPolarHBondContact O-CA 3.43Å; A153-D157 PolarHBondContact O-N 2.9Å; A153-D158 PolarHBondContact O-N 2.98Å; A153-L161 HydrophobicContact CB-CB 4.07Å; A153-L161 HydrophobicContact CB-CD2 3.95Å; A153-L161 HydrophobicContact CB-CG 3.95Å; A153-E162 HydrophobicContact CB-CB 3.91Å
154H93.9Very high94.6Very high85 Ų8550.3 Ų50.339%0.39424%0.239SC..Hα-helixtrans-68.8-42.7178.1-62.9152.7000113L150 Y152 N156 D157 E162L150-H154 PolarHBondContact O-N 3.19Å; Y152-H154 VanDerWaalsContact C-N 3.34Å; Y152-H154 PolarHBondContact O-N 3.01Å; H154-N156 PolarHBondContact O-N 3.28Å; H154-D157 PolarHBondContact O-N 3.48Å; H154-E162 IonicContact CD2-OE1 3.54Å; H154-E162 IonicContact CD2-OE2 3.55Å; H154-E162 IonicContact CE1-OE1 3.96Å; H154-E162 IonicContact NE2-OE1 2.7Å; H154-E162 PolarHBondContact NE2-OE1 2.63Å; H154-E162 IonicContact NE2-OE2 3.92Å; H154-E162 PolarHBondContact NE2-OE2 3.08Å
155N93.5Very high94.6Very high131 Ų13145.9 Ų45.970%0.70122%0.218SC*.Hα-helixtrans-67.2-26.2179.8-71.9-8.5000113.3R151 Y152R151-N155 VanDerWaalsContact O-CB 3.25Å; R151-N155 WeakPolarHBondContact O-CB 3.34Å; R151-N155 PolarHBondContact O-N 2.77Å; R151-N155 PolarHBondContact O-ND2 3.3Å; R151-N155 PolarHBondContact O-OD1 2.59Å; Y152-N155 PolarHBondContact O-N 2.94Å
156N91.8Very high94.6Very high70 Ų7045.7 Ų45.737%0.37422%0.217SC..THydrogen-bonded Turntrans-103.73.1-177.8-63.8-9.8000112.8A119 Y152 H154 D158A119-N156 PolarHBondContact O-ND2 2.92Å; Y152-N156 VanDerWaalsContact O-CB 3.23Å; Y152-N156 WeakPolarHBondContact O-CB 3.27Å; Y152-N156 VanDerWaalsContact O-CG 3.29Å; Y152-N156 PolarHBondContact O-N 3.2Å; H154-N156 PolarHBondContact O-N 3.28Å; N156-D158 HydrophobicContact CB-CB 4.34Å; N156-D158 PolarHBondContact O-N 3Å; N156-D158 VanDerWaalsContact O-N 3.15Å
157D90.9Very high94.6Very high143 Ų14345.8 Ų45.877%0.76522%0.218SC*.THydrogen-bonded Turntrans5033.4-170.1-60-54.5000113.1A153 H154 A159A153-D157 CarbonylContact O-C 3.52Å; A153-D157 WeakPolarHBondContact O-CA 3.43Å; A153-D157 PolarHBondContact O-N 2.9Å; H154-D157 PolarHBondContact O-N 3.48Å; D157-A159 PolarHBondContact O-N 3.41Å; D157-A159 VanDerWaalsContact O-N 3.17Å
158D91.3Very high94.7Very high42 Ų4244.1 Ų44.123%0.22521%0.212CC..  trans-88.380.4-178.7-173.6-10.9000110.3A153 N156 M160 L161 E162A153-D158 PolarHBondContact O-N 2.98Å; N156-D158 HydrophobicContact CB-CB 4.34Å; N156-D158 PolarHBondContact O-N 3Å; N156-D158 VanDerWaalsContact O-N 3.15Å; D158-M160 PolarHBondContact O-N 3.49Å; D158-M160 WeakPolarHBondContact OD1-CB 3.31Å; D158-M160 PolarHBondContact OD1-N 3.1Å; D158-L161 HydrophobicContact CB-CB 4.06Å; D158-L161 VanDerWaalsContact CG-CB 3.42Å; D158-L161 PolarHBondContact O-N 2.8Å; D158-L161 PolarHBondContact OD1-N 3.44Å; D158-L161 WeakPolarHBondContact OD2-CB 3.41Å; D158-E162 PolarHBondContact O-N 3.05Å
159A89.9Confident94.8Very high7 Ų741.3 Ų41.36%0.05820%0.2CC..Hα-helixtrans-60.5-29.1177.500000112.6D157 E162 C163 Y196 W200D157-A159 PolarHBondContact O-N 3.41Å; D157-A159 VanDerWaalsContact O-N 3.17Å; A159-E162 PolarHBondContact O-N 3.24Å; A159-C163 WeakPolarHBondContact O-CB 3.17Å; A159-C163 PolarHBondContact O-N 3.15Å; A159-Y196 HydrophobicContact CB-CD2 4.36Å; A159-Y196 HydrophobicContact CB-CE1 4.05Å; A159-Y196 HydrophobicContact CB-CE2 3.83Å; A159-W200 HydrophobicContact CB-CH2 3.83Å; A159-W200 HydrophobicContact CB-CZ2 3.53Å; A159-W200 VanDerWaalsContact O-CH2 3.27Å; A159-W200 WeakPolarHBondContact O-CH2 3.33Å
160M90Very high94.8Very high51 Ų5141.4 Ų41.425%0.25120%0.201SC..Hα-helixtrans-64.7-44.9176.6-56.4-57.6-39.800111.1D158 R164 W200 Y204D158-M160 PolarHBondContact O-N 3.49Å; D158-M160 WeakPolarHBondContact OD1-CB 3.31Å; D158-M160 PolarHBondContact OD1-N 3.1Å; M160-R164 VanDerWaalsContact O-CG 3.3Å; M160-R164 WeakPolarHBondContact O-CG 3.38Å; M160-R164 PolarHBondContact O-N 3.04Å; M160-R164 VanDerWaalsContact O-N 3.17Å; M160-W200 HydrophobicContact CE-CD2 3.88Å; M160-W200 HydrophobicContact CE-CE3 3.64Å; M160-W200 HydrophobicContact CE-CH2 4.14Å; M160-W200 HydrophobicContact CE-CZ2 4.29Å; M160-W200 HydrophobicContact CE-CZ3 3.79Å; M160-W200 HydrophobicContact CG-CZ2 4.22Å; M160-W200 HydrophobicContact SD-CD2 3.39Å; M160-W200 HydrophobicContact SD-CE3 3.72Å; M160-W200 HydrophobicContact SD-CG 4.1Å; M160-W200 HydrophobicContact SD-CH2 3.66Å; M160-W200 HydrophobicContact SD-CZ2 3.25Å; M160-W200 WeakPolarHBondContact SD-CZ2 3.37Å; M160-W200 HydrophobicContact SD-CZ3 3.85Å; M160-Y204 HydrophobicContact CE-CD1 4.48Å; M160-Y204 HydrophobicContact CE-CD2 3.1Å; M160-Y204 HydrophobicContact CE-CE1 4.32Å; M160-Y204 HydrophobicContact CE-CE2 2.88Å; M160-Y204 HydrophobicContact CE-CG 3.93Å
161L93.9Very high94.9Very high3 Ų341.8 Ų41.82%0.01621%0.206CC..Hα-helixtrans-64.6-43.7174.2179.163.7000110.7Q124 L127 A153 D158 C163 R164 V165Q124-L161 HydrophobicContact CG-CD1 4.46Å; L127-L161 HydrophobicContact CB-CD1 4.22Å; L127-L161 HydrophobicContact CD2-CD1 3.88Å; A153-L161 HydrophobicContact CB-CB 4.07Å; A153-L161 HydrophobicContact CB-CD2 3.95Å; A153-L161 HydrophobicContact CB-CG 3.95Å; D158-L161 HydrophobicContact CB-CB 4.06Å; D158-L161 VanDerWaalsContact CG-CB 3.42Å; D158-L161 PolarHBondContact O-N 2.8Å; D158-L161 PolarHBondContact OD1-N 3.44Å; D158-L161 WeakPolarHBondContact OD2-CB 3.41Å; L161-C163 PolarHBondContact O-N 2.64Å; L161-R164 PolarHBondContact O-N 2.79Å; L161-V165 HydrophobicContact CD1-CG2 4.01Å; L161-V165 HydrophobicContact CG-CG2 4.2Å; L161-V165 VanDerWaalsContact O-CG2 3.26Å; L161-V165 WeakPolarHBondContact O-CG2 3.39Å; L161-V165 PolarHBondContact O-N 2.9Å
162E95Very high95Very high21 Ų2135.2 Ų35.210%0.09818%0.181CC..Hα-helixtrans-56.1-50.2177.4-174171.1-170.600111.2L150 A153 H154 D158 A159 R164 V165 C166 K188 L192L150-E162 HydrophobicContact CD2-CG 3.96Å; A153-E162 HydrophobicContact CB-CB 3.91Å; H154-E162 IonicContact CD2-OE1 3.54Å; H154-E162 IonicContact CD2-OE2 3.55Å; H154-E162 IonicContact CE1-OE1 3.96Å; H154-E162 IonicContact NE2-OE1 2.7Å; H154-E162 PolarHBondContact NE2-OE1 2.63Å; H154-E162 IonicContact NE2-OE2 3.92Å; H154-E162 PolarHBondContact NE2-OE2 3.08Å; D158-E162 PolarHBondContact O-N 3.05Å; A159-E162 PolarHBondContact O-N 3.24Å; E162-R164 VanDerWaalsContact C-N 3.31Å; E162-R164 PolarHBondContact O-N 2.84Å; E162-V165 PolarHBondContact O-N 3.39Å; E162-V165 VanDerWaalsContact O-N 3.15Å; E162-C166 WeakPolarHBondContact O-CB 3.39Å; E162-C166 PolarHBondContact O-N 3.1Å; E162-C166 PolarHBondContact O-SG 3.32Å; E162-C166 VanDerWaalsContact O-SG 3.33Å; E162-K188 WeakPolarHBondContact OE1-CE 3.35Å; E162-K188 IonicContact OE1-NZ 2.73Å; E162-K188 PolarHBondContact OE1-NZ 3.29Å; E162-L192 HydrophobicContact CB-CD1 4.12Å; E162-L192 HydrophobicContact CG-CD1 3.66Å
163C94.7Very high95.2Very high0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-55.7-44.9177.4172.80000112.1A159 L161 C166 C167 W200A159-C163 WeakPolarHBondContact O-CB 3.17Å; A159-C163 PolarHBondContact O-N 3.15Å; L161-C163 PolarHBondContact O-N 2.64Å; C163-C166 PolarHBondContact O-N 3.23Å; C163-C167 PolarHBondContact O-N 2.59Å; C163-W200 HydrophobicContact CB-CH2 4.09Å; C163-W200 HydrophobicContact CB-CZ3 3.81Å
164R95.6Very high95.4Very high58 Ų5833.5 Ų33.522%0.21918%0.178CC..Hα-helixtrans-63.7-43.5177.6-71.1171.165.9-172.90.2112.4L127 M160 L161 E162 C166 C167 S168 Y204L127-R164 HydrophobicContact CD2-CB 3.75Å; M160-R164 VanDerWaalsContact O-CG 3.3Å; M160-R164 WeakPolarHBondContact O-CG 3.38Å; M160-R164 PolarHBondContact O-N 3.04Å; M160-R164 VanDerWaalsContact O-N 3.17Å; L161-R164 PolarHBondContact O-N 2.79Å; E162-R164 VanDerWaalsContact C-N 3.31Å; E162-R164 PolarHBondContact O-N 2.84Å; R164-C166 VanDerWaalsContact C-N 3.33Å; R164-C167 PolarHBondContact O-N 2.99Å; R164-S168 PolarHBondContact O-N 3.25Å; R164-Y204 HydrophobicContact CG-CD1 3.93Å; R164-Y204 HydrophobicContact CG-CE1 3.37Å
165V97.9Very high95.5Very high0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-67.1-38.6179.6-177.10000110.3L127 F146 A149 L150 L161 E162 C167 S168 L169L127-V165 HydrophobicContact CB-CG2 4.45Å; L127-V165 HydrophobicContact CD1-CG2 4Å; L127-V165 HydrophobicContact CD2-CG2 4.47Å; F146-V165 HydrophobicContact CB-CG1 4.01Å; F146-V165 HydrophobicContact CD1-CG1 4.43Å; A149-V165 HydrophobicContact CB-CG1 4.4Å; A149-V165 HydrophobicContact CB-CG2 3.55Å; L150-V165 HydrophobicContact CD1-CG1 4.32Å; L150-V165 HydrophobicContact CD2-CB 4.04Å; L150-V165 HydrophobicContact CD2-CG1 3.99Å; L150-V165 HydrophobicContact CG-CB 4.19Å; L150-V165 HydrophobicContact CG-CG1 3.62Å; L161-V165 HydrophobicContact CD1-CG2 4.01Å; L161-V165 HydrophobicContact CG-CG2 4.2Å; L161-V165 VanDerWaalsContact O-CG2 3.26Å; L161-V165 WeakPolarHBondContact O-CG2 3.39Å; L161-V165 PolarHBondContact O-N 2.9Å; E162-V165 PolarHBondContact O-N 3.39Å; E162-V165 VanDerWaalsContact O-N 3.15Å; V165-C167 PolarHBondContact O-N 2.95Å; V165-S168 CarbonylContact O-C 3.49Å; V165-S168 PolarHBondContact O-N 3.49Å; V165-L169 HydrophobicContact CG1-CD1 4.02Å; V165-L169 HydrophobicContact CG1-CG 4.26Å; V165-L169 WeakPolarHBondContact O-CB 3.5Å; V165-L169 WeakPolarHBondContact O-CG 3.18Å; V165-L169 PolarHBondContact O-N 3.23Å
166C97.9Very high95.6Very high1 Ų124.9 Ų24.91%0.00713%0.133CC..Hα-helixtrans-58.5-45.5172.6-73.70000112.1E162 C163 R164 S168 L169 G170 F185 A189E162-C166 WeakPolarHBondContact O-CB 3.39Å; E162-C166 PolarHBondContact O-N 3.1Å; E162-C166 PolarHBondContact O-SG 3.32Å; E162-C166 VanDerWaalsContact O-SG 3.33Å; C163-C166 PolarHBondContact O-N 3.23Å; R164-C166 VanDerWaalsContact C-N 3.33Å; C166-S168 PolarHBondContact O-N 3.23Å; C166-L169 PolarHBondContact O-N 3.09Å; C166-G170 PolarHBondContact O-N 3.01Å; C166-F185 HydrophobicContact CB-CB 4.3Å; C166-F185 WeakPolarHBondContact CB-O 3.24Å; C166-F185 WeakPolarHBondContact O-CB 3.37Å; C166-A189 HydrophobicContact CB-CB 3.78Å
167C97.7Very high95.9Very high2 Ų224.2 Ų24.21%0.01413%0.127CC..Hα-helixtrans-59.9-44.3173.4-73.10000112.6C163 R164 V165 L169 G170 S171 M207C163-C167 PolarHBondContact O-N 2.59Å; R164-C167 PolarHBondContact O-N 2.99Å; V165-C167 PolarHBondContact O-N 2.95Å; C167-L169 PolarHBondContact O-N 3.28Å; C167-G170 PolarHBondContact O-N 3.49Å; C167-S171 PolarHBondContact O-N 3.25Å; C167-M207 HydrophobicContact CB-CE 4.38Å
168S98.5Very high96.2Very high18 Ų1817.5 Ų17.513%0.1269%0.091CC..Hα-helixtrans-62.9-38.8175.5-74.50000112.7L127 N131 R164 V165 C166 S171 F172L127-S168 WeakPolarHBondContact CD1-OG 3.42Å; N131-S168 PolarHBondContact OD1-OG 3.47Å; R164-S168 PolarHBondContact O-N 3.25Å; V165-S168 CarbonylContact O-C 3.49Å; V165-S168 PolarHBondContact O-N 3.49Å; C166-S168 PolarHBondContact O-N 3.23Å; S168-S171 WeakPolarHBondContact O-CB 3.42Å; S168-S171 PolarHBondContact O-N 3.06Å; S168-F172 WeakPolarHBondContact O-CB 3.37Å; S168-F172 PolarHBondContact O-N 3.3Å
169L98.6Very high96.5Very high4 Ų417 Ų172%0.0219%0.086CC..Hα-helixtrans-67-37.2174.1-75.9169.9000111.8L143 F146 L150 V165 C166 C167 S171 F172 Y173 F185L143-L169 HydrophobicContact CD1-CD2 3.76Å; F146-L169 HydrophobicContact CB-CD2 3.74Å; F146-L169 HydrophobicContact CB-CG 4.12Å; F146-L169 HydrophobicContact CD2-CD2 3.85Å; F146-L169 HydrophobicContact CD2-CG 4.46Å; F146-L169 HydrophobicContact CG-CD2 4.12Å; F146-L169 HydrophobicContact CG-CG 4.44Å; L150-L169 HydrophobicContact CD1-CD1 3.6Å; L150-L169 HydrophobicContact CG-CD1 4.42Å; V165-L169 HydrophobicContact CG1-CD1 4.02Å; V165-L169 HydrophobicContact CG1-CG 4.26Å; V165-L169 WeakPolarHBondContact O-CB 3.5Å; V165-L169 WeakPolarHBondContact O-CG 3.18Å; V165-L169 PolarHBondContact O-N 3.23Å; C166-L169 PolarHBondContact O-N 3.09Å; C167-L169 PolarHBondContact O-N 3.28Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.15Å; L169-F172 WeakPolarHBondContact O-CB 3.41Å; L169-F172 PolarHBondContact O-N 2.72Å; L169-Y173 HydrophobicContact CB-CD2 4.48Å; L169-Y173 HydrophobicContact CD2-CE2 4.22Å; L169-Y173 WeakPolarHBondContact O-CD2 3.37Å; L169-Y173 PolarHBondContact O-N 3.28Å; L169-F185 HydrophobicContact CB-CB 4.1Å; L169-F185 HydrophobicContact CB-CD1 3.98Å; L169-F185 HydrophobicContact CB-CD2 3.82Å; L169-F185 HydrophobicContact CB-CE1 4.36Å; L169-F185 HydrophobicContact CB-CE2 4.27Å; L169-F185 HydrophobicContact CB-CG 3.7Å; L169-F185 HydrophobicContact CD1-CD1 3.82Å; L169-F185 HydrophobicContact CD1-CE1 3.63Å; L169-F185 HydrophobicContact CD1-CG 4.4Å; L169-F185 HydrophobicContact CD1-CZ 4.08Å
170G98.3Very high96.9Very high3 Ų321 Ų213%0.03110%0.104CC..Hα-helixtrans-56.9-46.8170.700000111.9C166 C167 A174C166-G170 PolarHBondContact O-N 3.01Å; C167-G170 PolarHBondContact O-N 3.49Å; G170-A174 WeakPolarHBondContact O-CB 3.34Å; G170-A174 PolarHBondContact O-N 2.94Å
171S98.2Very high97.3Very high36 Ų3620 Ų2025%0.25210%0.098SC..Hα-helixtrans-62.8-42.3173.9-170.90000112.8C167 S168 L169 A174 Q175C167-S171 PolarHBondContact O-N 3.25Å; S168-S171 WeakPolarHBondContact O-CB 3.42Å; S168-S171 PolarHBondContact O-N 3.06Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.15Å; S171-A174 WeakPolarHBondContact O-CB 3.46Å; S171-A174 PolarHBondContact O-N 3.01Å; S171-Q175 WeakPolarHBondContact O-CG 3.33Å; S171-Q175 PolarHBondContact O-N 3.3Å; S171-Q175 VanDerWaalsContact O-N 3.14Å
172F98.4Very high97.5Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-56.7-54.5176.3177.1-88000111.4L134 F139 A142 L143 F146 S168 L169 A174 Q175 V176 I385L134-F172 HydrophobicContact CD1-CD2 3.87Å; L134-F172 HydrophobicContact CD2-CB 4.21Å; F139-F172 HydrophobicContact CB-CE2 3.94Å; F139-F172 HydrophobicContact CB-CZ 4.09Å; F139-F172 HydrophobicContact CD1-CD2 4.37Å; F139-F172 AromaticContact CD1-CE2 3.78Å; F139-F172 HydrophobicContact CD1-CE2 3.78Å; F139-F172 HydrophobicContact CD1-CZ 4.26Å; F139-F172 HydrophobicContact CG-CE2 4.37Å; F139-F172 VanDerWaalsContact O-CE2 3.3Å; F139-F172 WeakPolarHBondContact O-CE2 3.49Å; A142-F172 HydrophobicContact CB-CD2 4.19Å; A142-F172 HydrophobicContact CB-CE2 4.08Å; L143-F172 HydrophobicContact CB-CE1 4.44Å; L143-F172 HydrophobicContact CB-CE2 4.15Å; L143-F172 HydrophobicContact CB-CZ 3.94Å; L143-F172 HydrophobicContact CD1-CE1 4.35Å; L143-F172 HydrophobicContact CD2-CE1 4.44Å; L143-F172 HydrophobicContact CD2-CZ 4.5Å; F146-F172 HydrophobicContact CD2-CD2 4.41Å; F146-F172 HydrophobicContact CE2-CB 4.13Å; F146-F172 HydrophobicContact CE2-CD2 4.09Å; F146-F172 HydrophobicContact CE2-CG 4.43Å; S168-F172 WeakPolarHBondContact O-CB 3.37Å; S168-F172 PolarHBondContact O-N 3.3Å; L169-F172 WeakPolarHBondContact O-CB 3.41Å; L169-F172 PolarHBondContact O-N 2.72Å; F172-A174 VanDerWaalsContact C-N 3.3Å; F172-A174 PolarHBondContact O-N 3.05Å; F172-Q175 WeakPolarHBondContact O-CB 3.43Å; F172-Q175 PolarHBondContact O-N 3.47Å; F172-V176 HydrophobicContact CD1-CG2 4.25Å; F172-V176 HydrophobicContact CE1-CG1 4.23Å; F172-V176 HydrophobicContact CE1-CG2 3.93Å; F172-V176 HydrophobicContact CZ-CG1 4.1Å; F172-V176 PolarHBondContact O-N 2.85Å; F172-V176 VanDerWaalsContact O-N 3.1Å; F172-I385 HydrophobicContact CE1-CD1 3.73Å; F172-I385 HydrophobicContact CZ-CD1 3.49Å; F172-I385 VanDerWaalsContact CZ-CD1 3.49Å
173Y98.4Very high97.6Very high12 Ų1220.4 Ų20.45%0.04710%0.101CC..Hα-helixtrans-68.5-28.5-178-76.8-67.5000112.9L169 Q175 V176 K177 D178 K181 F185L169-Y173 HydrophobicContact CB-CD2 4.48Å; L169-Y173 HydrophobicContact CD2-CE2 4.22Å; L169-Y173 WeakPolarHBondContact O-CD2 3.37Å; L169-Y173 PolarHBondContact O-N 3.28Å; Y173-Q175 VanDerWaalsContact C-N 3.3Å; Y173-Q175 PolarHBondContact O-N 3.41Å; Y173-V176 HydrophobicContact CD1-CG2 3.86Å; Y173-K177 PolarHBondContact O-N 3.36Å; Y173-D178 HydrophobicContact CD1-CB 3.81Å; Y173-D178 PolarHBondContact O-N 3.22Å; Y173-K181 HydrophobicContact CD1-CB 3.82Å; Y173-K181 HydrophobicContact CD1-CD 3.99Å; Y173-K181 HydrophobicContact CD2-CB 3.76Å; Y173-K181 HydrophobicContact CD2-CD 4.44Å; Y173-K181 HydrophobicContact CE1-CB 4.24Å; Y173-K181 HydrophobicContact CE1-CD 3.55Å; Y173-K181 HydrophobicContact CE2-CB 4.24Å; Y173-K181 HydrophobicContact CE2-CD 4.11Å; Y173-K181 HydrophobicContact CG-CB 3.53Å; Y173-K181 HydrophobicContact CG-CD 4.39Å; Y173-F185 AromaticContact CD2-CD2 3.67Å; Y173-F185 HydrophobicContact CD2-CD2 3.67Å; Y173-F185 AromaticContact CD2-CE2 3.46Å; Y173-F185 HydrophobicContact CD2-CE2 3.46Å; Y173-F185 VanDerWaalsContact CD2-CE2 3.46Å; Y173-F185 AromaticContact CE2-CD2 3.91Å; Y173-F185 HydrophobicContact CE2-CD2 3.91Å; Y173-F185 AromaticContact CE2-CE2 3.21Å; Y173-F185 HydrophobicContact CE2-CE2 3.21Å; Y173-F185 AromaticContact CE2-CZ 3.96Å; Y173-F185 HydrophobicContact CE2-CZ 3.96Å
174A98.1Very high97.8Very high16 Ų1625.1 Ų25.113%0.13212%0.122CC..Hα-helixtrans-62.5-36.7168.700000112.3G170 S171 F172 A182 V214 L218G170-A174 WeakPolarHBondContact O-CB 3.34Å; G170-A174 PolarHBondContact O-N 2.94Å; S171-A174 WeakPolarHBondContact O-CB 3.46Å; S171-A174 PolarHBondContact O-N 3.01Å; F172-A174 VanDerWaalsContact C-N 3.3Å; F172-A174 PolarHBondContact O-N 3.05Å; A174-A182 HydrophobicContact CB-CB 4Å; A174-V214 HydrophobicContact CB-CG1 4.5Å; A174-L218 HydrophobicContact CB-CD1 3.72Å
175Q96.8Very high97.9Very high35 Ų3523.3 Ų23.316%0.16412%0.115CC..Hα-helixtrans-74.5-40.3178.9-70.9-173.647.400112.9F139 S171 F172 Y173 K177 L323F139-Q175 HydrophobicContact CE1-CB 3.98Å; S171-Q175 WeakPolarHBondContact O-CG 3.33Å; S171-Q175 PolarHBondContact O-N 3.3Å; S171-Q175 VanDerWaalsContact O-N 3.14Å; F172-Q175 WeakPolarHBondContact O-CB 3.43Å; F172-Q175 PolarHBondContact O-N 3.47Å; Y173-Q175 VanDerWaalsContact C-N 3.3Å; Y173-Q175 PolarHBondContact O-N 3.41Å; Q175-K177 PolarHBondContact O-N 2.79Å; Q175-L323 HydrophobicContact CB-CD2 3.8Å; Q175-L323 HydrophobicContact CG-CD2 3.91Å
176V96.3Very high97.9Very high0 Ų023.3 Ų23.30%012%0.115CC..THydrogen-bonded Turntrans-83.34.4176.2-590000113.6F139 F172 Y173 D178 L361 I370 G371 L377F139-V176 HydrophobicContact CD1-CG1 3.51Å; F139-V176 HydrophobicContact CE1-CG1 3.86Å; F139-V176 HydrophobicContact CG-CG1 4Å; F172-V176 HydrophobicContact CD1-CG2 4.25Å; F172-V176 HydrophobicContact CE1-CG1 4.23Å; F172-V176 HydrophobicContact CE1-CG2 3.93Å; F172-V176 HydrophobicContact CZ-CG1 4.1Å; F172-V176 PolarHBondContact O-N 2.85Å; F172-V176 VanDerWaalsContact O-N 3.1Å; Y173-V176 HydrophobicContact CD1-CG2 3.86Å; V176-D178 PolarHBondContact O-N 2.82Å; V176-L361 HydrophobicContact CG1-CD2 3.91Å; V176-I370 HydrophobicContact CB-CG2 4.23Å; V176-G371 VanDerWaalsContact O-CA 3.28Å; V176-G371 WeakPolarHBondContact O-CA 3.48Å; V176-G371 PolarHBondContact O-N 2.71Å; V176-L377 HydrophobicContact CB-CD1 4Å; V176-L377 HydrophobicContact CG2-CD1 3.7Å
177K96.7Very high97.9Very high57 Ų5724.8 Ų24.825%0.24813%0.125CC..THydrogen-bonded Turntrans5840178-54.3-170-178.7148.10115Y173 Q175 Y179 G371 E372 K373 N374 S375Y173-K177 PolarHBondContact O-N 3.36Å; Q175-K177 PolarHBondContact O-N 2.79Å; K177-Y179 HydrophobicContact CB-CD1 4.47Å; K177-Y179 HydrophobicContact CB-CE1 3.79Å; K177-Y179 HydrophobicContact CG-CE1 3.89Å; K177-G371 WeakPolarHBondContact CD-O 3.36Å; K177-G371 WeakPolarHBondContact CE-O 3.41Å; K177-G371 PolarHBondContact NZ-O 3.15Å; K177-E372 VanDerWaalsContact NZ-C 3.35Å; K177-E372 PolarHBondContact NZ-O 3.01Å; K177-K373 WeakPolarHBondContact CB-O 3.25Å; K177-N374 CarbonylContact O-C 3.6Å; K177-N374 VanDerWaalsContact O-CA 3.24Å; K177-N374 WeakPolarHBondContact O-CA 3.2Å; K177-N374 PolarHBondContact O-OD1 2.91Å; K177-N374 VanDerWaalsContact O-OD1 3.1Å; K177-S375 PolarHBondContact O-N 3.5Å
178D97.9Very high97.8Very high2 Ų227.4 Ų27.41%0.01114%0.136CC..  trans-97.687.9157.3-172.2-30.4000107.8Y173 V176 E180 K181 A182 S375 L377Y173-D178 HydrophobicContact CD1-CB 3.81Å; Y173-D178 PolarHBondContact O-N 3.22Å; V176-D178 PolarHBondContact O-N 2.82Å; D178-E180 VanDerWaalsContact C-N 3.28Å; D178-E180 PolarHBondContact O-N 3.43Å; D178-E180 PolarHBondContact OD1-N 3.18Å; D178-K181 HydrophobicContact CB-CB 4.31Å; D178-K181 PolarHBondContact O-N 3.37Å; D178-K181 PolarHBondContact OD1-N 3.33Å; D178-K181 WeakPolarHBondContact OD2-CD 3.45Å; D178-A182 WeakPolarHBondContact O-CB 2.97Å; D178-A182 PolarHBondContact O-N 2.9Å; D178-S375 WeakPolarHBondContact CA-O 3.47Å; D178-S375 WeakPolarHBondContact CB-O 3.41Å; D178-L377 HydrophobicContact CB-CB 4.23Å; D178-L377 HydrophobicContact CB-CD1 3.99Å; D178-L377 HydrophobicContact CB-CG 4.04Å; D178-L377 PolarHBondContact OD2-N 2.94Å
179Y98.1Very high97.6Very high31 Ų3126.5 Ų26.512%0.12213%0.13CC..Hα-helixtrans-73.8-21.3-172-58.2-27.6000113.3K177 L183 L218 L219 N374K177-Y179 HydrophobicContact CB-CD1 4.47Å; K177-Y179 HydrophobicContact CB-CE1 3.79Å; K177-Y179 HydrophobicContact CG-CE1 3.89Å; Y179-L183 PolarHBondContact O-N 3.43Å; Y179-L183 VanDerWaalsContact O-N 3.15Å; Y179-L218 HydrophobicContact CD1-CB 3.85Å; Y179-L218 HydrophobicContact CD1-CD1 4.01Å; Y179-L218 HydrophobicContact CD1-CG 4.46Å; Y179-L218 HydrophobicContact CD2-CB 3.99Å; Y179-L218 WeakPolarHBondContact CD2-O 3.35Å; Y179-L218 HydrophobicContact CE1-CB 3.83Å; Y179-L218 HydrophobicContact CE1-CD1 3.79Å; Y179-L218 HydrophobicContact CE1-CD2 4.16Å; Y179-L218 HydrophobicContact CE1-CG 4.14Å; Y179-L218 HydrophobicContact CE2-CB 3.98Å; Y179-L218 WeakPolarHBondContact CE2-O 3.48Å; Y179-L218 HydrophobicContact CG-CB 3.94Å; Y179-L219 HydrophobicContact CD2-CD2 4.48Å; Y179-N374 HydrophobicContact CD2-CB 3.82Å; Y179-N374 VanDerWaalsContact CD2-CG 3.47Å; Y179-N374 HydrophobicContact CE2-CB 3.89Å; Y179-N374 PolarHBondContact N-OD1 3.44Å
180E97.3Very high97.3Very high91 Ų9127.1 Ų27.143%0.42514%0.136SC..Hα-helixtrans-67-49.4172.4-68.5-179.1-174.500109.8D178 A182 L183 F184 R376D178-E180 VanDerWaalsContact C-N 3.28Å; D178-E180 PolarHBondContact O-N 3.43Å; D178-E180 PolarHBondContact OD1-N 3.18Å; E180-A182 VanDerWaalsContact C-N 3.33Å; E180-A182 PolarHBondContact O-N 2.88Å; E180-L183 PolarHBondContact O-N 3Å; E180-F184 WeakPolarHBondContact O-CB 3.15Å; E180-F184 PolarHBondContact O-N 3.43Å; E180-R376 VanDerWaalsContact CD-NE 3.26Å; E180-R376 IonicContact OE1-CZ 2.8Å; E180-R376 VanDerWaalsContact OE1-CZ 3.28Å; E180-R376 IonicContact OE1-NE 2.6Å; E180-R376 PolarHBondContact OE1-NE 3.15Å; E180-R376 IonicContact OE1-NH2 3.35Å; E180-R376 PolarHBondContact OE1-NH2 3Å; E180-R376 IonicContact OE2-CZ 3.92Å; E180-R376 IonicContact OE2-NE 2.92Å; E180-R376 PolarHBondContact OE2-NE 3.17Å; E180-R376 IonicContact OE2-NH2 3.48Å; E180-R376 PolarHBondContact OE2-NH2 3.44Å
181K98.1Very high97Very high31 Ų3132.5 Ų32.514%0.13516%0.16CC..Hα-helixtrans-67.2-34.9174.5-73-173.9177.2176.40112.5Y173 D178 L183 F184 F185 L377 Q378Y173-K181 HydrophobicContact CD1-CB 3.82Å; Y173-K181 HydrophobicContact CD1-CD 3.99Å; Y173-K181 HydrophobicContact CD2-CB 3.76Å; Y173-K181 HydrophobicContact CD2-CD 4.44Å; Y173-K181 HydrophobicContact CE1-CB 4.24Å; Y173-K181 HydrophobicContact CE1-CD 3.55Å; Y173-K181 HydrophobicContact CE2-CB 4.24Å; Y173-K181 HydrophobicContact CE2-CD 4.11Å; Y173-K181 HydrophobicContact CG-CB 3.53Å; Y173-K181 HydrophobicContact CG-CD 4.39Å; D178-K181 HydrophobicContact CB-CB 4.31Å; D178-K181 PolarHBondContact O-N 3.37Å; D178-K181 PolarHBondContact OD1-N 3.33Å; D178-K181 WeakPolarHBondContact OD2-CD 3.45Å; K181-L183 PolarHBondContact O-N 3.4Å; K181-F184 PolarHBondContact O-N 2.92Å; K181-F185 HydrophobicContact CB-CD2 4.39Å; K181-F185 HydrophobicContact CB-CE2 4.15Å; K181-F185 HydrophobicContact CG-CE2 4.48Å; K181-F185 VanDerWaalsContact O-CD2 3.25Å; K181-F185 WeakPolarHBondContact O-CD2 3.33Å; K181-F185 PolarHBondContact O-N 2.96Å; K181-L377 WeakPolarHBondContact CE-O 3.47Å; K181-L377 PolarHBondContact NZ-O 3.23Å; K181-Q378 VanDerWaalsContact NZ-OE1 3.1Å
182A98.4Very high96.5Very high1 Ų131.7 Ų31.71%0.00815%0.153CC..Hα-helixtrans-58.7-31.117500000112.7A174 D178 E180 P186 A215A174-A182 HydrophobicContact CB-CB 4Å; D178-A182 WeakPolarHBondContact O-CB 2.97Å; D178-A182 PolarHBondContact O-N 2.9Å; E180-A182 VanDerWaalsContact C-N 3.33Å; E180-A182 PolarHBondContact O-N 2.88Å; A182-P186 WeakPolarHBondContact O-CD 3.45Å; A182-P186 VanDerWaalsContact O-CG 3.23Å; A182-P186 WeakPolarHBondContact O-CG 3.37Å; A182-A215 HydrophobicContact CB-CB 4.18Å
183L98.6Very high96Very high31 Ų3132.3 Ų32.316%0.16216%0.156CC..Hα-helixtrans-86.1-41.6174.3-177.260.1000112.2Y179 E180 K181 F185 P186 C187 M212 A215 Y216 L219Y179-L183 PolarHBondContact O-N 3.43Å; Y179-L183 VanDerWaalsContact O-N 3.15Å; E180-L183 PolarHBondContact O-N 3Å; K181-L183 PolarHBondContact O-N 3.4Å; L183-F185 PolarHBondContact O-N 3.49Å; L183-P186 WeakPolarHBondContact O-CD 3.49Å; L183-C187 PolarHBondContact O-N 2.96Å; L183-C187 VanDerWaalsContact O-N 3.1Å; L183-C187 PolarHBondContact O-SG 3.16Å; L183-M212 HydrophobicContact CD1-CB 4.37Å; L183-M212 HydrophobicContact CD1-CG 4.35Å; L183-A215 HydrophobicContact CB-CB 3.81Å; L183-A215 HydrophobicContact CD1-CB 4.04Å; L183-Y216 HydrophobicContact CD1-CD1 4.36Å; L183-Y216 HydrophobicContact CD1-CD2 4.22Å; L183-Y216 HydrophobicContact CD1-CE1 4.07Å; L183-Y216 HydrophobicContact CD1-CE2 3.92Å; L183-Y216 HydrophobicContact CD1-CG 4.41Å; L183-Y216 HydrophobicContact CD2-CD1 4.21Å; L183-Y216 HydrophobicContact CD2-CE1 3.72Å; L183-L219 HydrophobicContact CB-CD1 4.36Å; L183-L219 HydrophobicContact CD2-CD1 3.88Å
184F98.4Very high95.3Very high99 Ų9936 Ų3643%0.43418%0.177SC..Hα-helixtrans-53.8-51.2-177.7173.4-100.4000112.8E180 K181 C187 K188E180-F184 WeakPolarHBondContact O-CB 3.15Å; E180-F184 PolarHBondContact O-N 3.43Å; K181-F184 PolarHBondContact O-N 2.92Å; F184-C187 WeakPolarHBondContact O-CB 3.36Å; F184-C187 PolarHBondContact O-N 3.19Å; F184-K188 PolarHBondContact O-N 3.38Å
185F98.3Very high94.5Very high20 Ų2041.5 Ų41.59%0.08820%0.204CC..Hα-helixtrans-66.7-45.5-174.6-71.3-77000113.3C166 L169 Y173 K181 L183 C187 K188 A189C166-F185 HydrophobicContact CB-CB 4.3Å; C166-F185 WeakPolarHBondContact CB-O 3.24Å; C166-F185 WeakPolarHBondContact O-CB 3.37Å; L169-F185 HydrophobicContact CB-CB 4.1Å; L169-F185 HydrophobicContact CB-CD1 3.98Å; L169-F185 HydrophobicContact CB-CD2 3.82Å; L169-F185 HydrophobicContact CB-CE1 4.36Å; L169-F185 HydrophobicContact CB-CE2 4.27Å; L169-F185 HydrophobicContact CB-CG 3.7Å; L169-F185 HydrophobicContact CD1-CD1 3.82Å; L169-F185 HydrophobicContact CD1-CE1 3.63Å; L169-F185 HydrophobicContact CD1-CG 4.4Å; L169-F185 HydrophobicContact CD1-CZ 4.08Å; Y173-F185 AromaticContact CD2-CD2 3.67Å; Y173-F185 HydrophobicContact CD2-CD2 3.67Å; Y173-F185 AromaticContact CD2-CE2 3.46Å; Y173-F185 HydrophobicContact CD2-CE2 3.46Å; Y173-F185 VanDerWaalsContact CD2-CE2 3.46Å; Y173-F185 AromaticContact CE2-CD2 3.91Å; Y173-F185 HydrophobicContact CE2-CD2 3.91Å; Y173-F185 AromaticContact CE2-CE2 3.21Å; Y173-F185 HydrophobicContact CE2-CE2 3.21Å; Y173-F185 AromaticContact CE2-CZ 3.96Å; Y173-F185 HydrophobicContact CE2-CZ 3.96Å; K181-F185 HydrophobicContact CB-CD2 4.39Å; K181-F185 HydrophobicContact CB-CE2 4.15Å; K181-F185 HydrophobicContact CG-CE2 4.48Å; K181-F185 VanDerWaalsContact O-CD2 3.25Å; K181-F185 WeakPolarHBondContact O-CD2 3.33Å; K181-F185 PolarHBondContact O-N 2.96Å; L183-F185 PolarHBondContact O-N 3.49Å; F185-C187 VanDerWaalsContact C-N 3.3Å; F185-C187 PolarHBondContact O-N 3.4Å; F185-K188 WeakPolarHBondContact O-CB 3.4Å; F185-K188 PolarHBondContact O-N 3.31Å; F185-A189 PolarHBondContact O-N 2.98Å
186P97.6Very high93.3Very high0 Ų046.2 Ų46.20%022%0.221CC..Hα-helixtrans-60.9-33.7172.1-28.638.4000114.2A182 L183 A189 A190 H211 M212A182-P186 WeakPolarHBondContact O-CD 3.45Å; A182-P186 VanDerWaalsContact O-CG 3.23Å; A182-P186 WeakPolarHBondContact O-CG 3.37Å; L183-P186 WeakPolarHBondContact O-CD 3.49Å; P186-A189 WeakPolarHBondContact O-CB 3.44Å; P186-A189 PolarHBondContact O-N 3.43Å; P186-A190 PolarHBondContact O-N 3.27Å; P186-H211 HydrophobicContact CB-CB 3.81Å; P186-H211 HydrophobicContact CG-CB 3.48Å; P186-H211 VanDerWaalsContact CG-CB 3.48Å; P186-M212 HydrophobicContact CB-CG 3.61Å
187C97.1Very high91.4Very high31 Ų3148 Ų4821%0.20924%0.24CC..Hα-helixtrans-63.8-46.9171.9-70.80000111.3L183 F184 F185 A189 A190 E191L183-C187 PolarHBondContact O-N 2.96Å; L183-C187 VanDerWaalsContact O-N 3.1Å; L183-C187 PolarHBondContact O-SG 3.16Å; F184-C187 WeakPolarHBondContact O-CB 3.36Å; F184-C187 PolarHBondContact O-N 3.19Å; F185-C187 VanDerWaalsContact C-N 3.3Å; F185-C187 PolarHBondContact O-N 3.4Å; C187-A189 VanDerWaalsContact C-N 3.27Å; C187-A189 PolarHBondContact O-N 2.67Å; C187-A190 WeakPolarHBondContact O-CA 3.4Å; C187-A190 WeakPolarHBondContact O-CB 3.35Å; C187-A190 PolarHBondContact O-N 3.4Å; C187-E191 WeakPolarHBondContact O-CG 3.36Å; C187-E191 PolarHBondContact O-N 2.86Å
188K95.7Very high89.5Confident57 Ų5756 Ų5625%0.24827%0.274CS..Hα-helixtrans-57.4-41.6173.5-170.8-178.1-174.8-162.40111.6E162 F184 F185 A190 E191 L192E162-K188 WeakPolarHBondContact OE1-CE 3.35Å; E162-K188 IonicContact OE1-NZ 2.73Å; E162-K188 PolarHBondContact OE1-NZ 3.29Å; F184-K188 PolarHBondContact O-N 3.38Å; F185-K188 WeakPolarHBondContact O-CB 3.4Å; F185-K188 PolarHBondContact O-N 3.31Å; K188-A190 VanDerWaalsContact C-N 3.32Å; K188-A190 PolarHBondContact O-N 3.41Å; K188-E191 PolarHBondContact O-N 3.34Å; K188-L192 WeakPolarHBondContact O-CG 3.37Å; K188-L192 PolarHBondContact O-N 2.86Å
189A94.2Very high87.4Confident0 Ų059.7 Ų59.70%031%0.314CS..Hα-helixtrans-61.6-39174.600000112.2C166 F185 P186 C187 V193 S208C166-A189 HydrophobicContact CB-CB 3.78Å; F185-A189 PolarHBondContact O-N 2.98Å; P186-A189 WeakPolarHBondContact O-CB 3.44Å; P186-A189 PolarHBondContact O-N 3.43Å; C187-A189 VanDerWaalsContact C-N 3.27Å; C187-A189 PolarHBondContact O-N 2.67Å; A189-V193 WeakPolarHBondContact O-CG2 3.44Å; A189-V193 PolarHBondContact O-N 2.84Å; A189-S208 VanDerWaalsContact CB-OG 3.28Å; A189-S208 WeakPolarHBondContact CB-OG 3.05Å
190A92.3Very high85.6Confident16 Ų1660.3 Ų60.313%0.13232%0.316CS..Hα-helixtrans-69.6-36.6176.600000112.8P186 C187 K188 V193 N194 M212P186-A190 PolarHBondContact O-N 3.27Å; C187-A190 WeakPolarHBondContact O-CA 3.4Å; C187-A190 WeakPolarHBondContact O-CB 3.35Å; C187-A190 PolarHBondContact O-N 3.4Å; K188-A190 VanDerWaalsContact C-N 3.32Å; K188-A190 PolarHBondContact O-N 3.41Å; A190-V193 PolarHBondContact O-N 2.92Å; A190-N194 PolarHBondContact O-N 3.39Å; A190-N194 VanDerWaalsContact O-N 3.15Å; A190-N194 PolarHBondContact O-ND2 3.03Å; A190-M212 HydrophobicContact CB-SD 4.21Å
191E91.6Very high84.3Confident116 Ų11658.4 Ų58.454%0.54231%0.313SS..Hα-helixtrans-61.5-50.4173.2-71.7168.7-175.100110.9C187 K188 V193 N194 D195C187-E191 WeakPolarHBondContact O-CG 3.36Å; C187-E191 PolarHBondContact O-N 2.86Å; K188-E191 PolarHBondContact O-N 3.34Å; E191-V193 VanDerWaalsContact C-N 3.26Å; E191-V193 PolarHBondContact O-N 2.77Å; E191-N194 WeakPolarHBondContact O-CB 3.37Å; E191-N194 PolarHBondContact O-N 3.22Å; E191-D195 PolarHBondContact O-N 3.39Å
192L89.4Confident83.5Confident20 Ų2060.4 Ų60.411%0.10532%0.324CS..Hα-helixtrans-55.1-40.9175.7-70.5170.2000112.4E162 K188 N194 Y196E162-L192 HydrophobicContact CB-CD1 4.12Å; E162-L192 HydrophobicContact CG-CD1 3.66Å; K188-L192 WeakPolarHBondContact O-CG 3.37Å; K188-L192 PolarHBondContact O-N 2.86Å; L192-N194 VanDerWaalsContact C-N 3.31Å; L192-N194 PolarHBondContact O-N 2.85Å; L192-Y196 HydrophobicContact CD2-CE2 4.46Å; L192-Y196 VanDerWaalsContact O-CD2 3.31Å; L192-Y196 WeakPolarHBondContact O-CD2 3.29Å; L192-Y196 PolarHBondContact O-N 3.48Å
193V87.1Confident82.8Confident12 Ų1262.9 Ų62.97%0.07334%0.335CS..Hα-helixtrans-65.9-33.4177.3172.30000112A189 A190 E191 W200 R205A189-V193 WeakPolarHBondContact O-CG2 3.44Å; A189-V193 PolarHBondContact O-N 2.84Å; A190-V193 PolarHBondContact O-N 2.92Å; E191-V193 VanDerWaalsContact C-N 3.26Å; E191-V193 PolarHBondContact O-N 2.77Å; V193-W200 HydrophobicContact CB-CE3 4.28Å; V193-W200 HydrophobicContact CG2-CE3 3.74Å; V193-W200 HydrophobicContact CG2-CZ3 3.76Å; V193-R205 HydrophobicContact CG1-CB 3.97Å; V193-R205 HydrophobicContact CG1-CG 4.43Å
194N83.9Confident82.3Confident91 Ų9163.2 Ų63.249%0.48733%0.334SS..Hα-helixtrans-76.2-39.4179.4-69.2-33.4000111.9A190 E191 L192 Y196 G197 R205A190-N194 PolarHBondContact O-N 3.39Å; A190-N194 VanDerWaalsContact O-N 3.15Å; A190-N194 PolarHBondContact O-ND2 3.03Å; E191-N194 WeakPolarHBondContact O-CB 3.37Å; E191-N194 PolarHBondContact O-N 3.22Å; L192-N194 VanDerWaalsContact C-N 3.31Å; L192-N194 PolarHBondContact O-N 2.85Å; N194-Y196 PolarHBondContact O-N 2.99Å; N194-G197 PolarHBondContact O-N 2.95Å; N194-R205 PolarHBondContact OD1-NH2 3.32Å
195D81.4Confident81.9Confident130 Ų13063.1 Ų63.170%0.69533%0.331SS*.Hα-helixtrans-68.4-33.5-175.8-69.3-16.8000113.1E191 G197E191-D195 PolarHBondContact O-N 3.39Å; D195-G197 PolarHBondContact O-N 2.88Å
196Y70.8Confident81.7Confident134 Ų13462.2 Ų62.253%0.52533%0.327SS..THydrogen-bonded Turntrans-88.54-177.3-76.1-101.7000114.6A159 L192 N194 W200A159-Y196 HydrophobicContact CB-CD2 4.36Å; A159-Y196 HydrophobicContact CB-CE1 4.05Å; A159-Y196 HydrophobicContact CB-CE2 3.83Å; L192-Y196 HydrophobicContact CD2-CE2 4.46Å; L192-Y196 VanDerWaalsContact O-CD2 3.31Å; L192-Y196 WeakPolarHBondContact O-CD2 3.29Å; L192-Y196 PolarHBondContact O-N 3.48Å; N194-Y196 PolarHBondContact O-N 2.99Å; Y196-W200 VanDerWaalsContact CB-NE1 3.32Å; Y196-W200 HydrophobicContact CD1-CZ2 4.42Å; Y196-W200 HydrophobicContact CD2-CZ2 4.31Å; Y196-W200 HydrophobicContact CG-CZ2 4.03Å; Y196-W200 AromaticContact CG-NE1 3.89Å
197G56.6Low81.5Confident37 Ų3764.6 Ų64.638%0.38134%0.339SS..  trans81.5178.5165.100000117.3N194 D195 G199 W200N194-G197 PolarHBondContact O-N 2.95Å; D195-G197 PolarHBondContact O-N 2.88Å; G197-G199 PolarHBondContact O-N 3.21Å; G197-W200 PolarHBondContact O-N 3.39Å
198K57.1Low81.5Confident225 Ų22563.1 Ų63.198%0.97833%0.329SS*.THydrogen-bonded Turntrans-59.3-11.5-170-66-178.7-179.7178.20116.1
199G53.8Low81.5Confident81 Ų8162.2 Ų62.284%0.83533%0.326SS*.THydrogen-bonded Turntrans-88-9.1-179.600000114.7G197G197-G199 PolarHBondContact O-N 3.21Å
200W60.8Low81.7Confident43 Ų4363.2 Ų63.216%0.16333%0.329CS..SBendtrans-72.5148174-99.651.4000112.4A159 M160 C163 V193 Y196 G197 L202A159-W200 HydrophobicContact CB-CH2 3.83Å; A159-W200 HydrophobicContact CB-CZ2 3.53Å; A159-W200 VanDerWaalsContact O-CH2 3.27Å; A159-W200 WeakPolarHBondContact O-CH2 3.33Å; M160-W200 HydrophobicContact CE-CD2 3.88Å; M160-W200 HydrophobicContact CE-CE3 3.64Å; M160-W200 HydrophobicContact CE-CH2 4.14Å; M160-W200 HydrophobicContact CE-CZ2 4.29Å; M160-W200 HydrophobicContact CE-CZ3 3.79Å; M160-W200 HydrophobicContact CG-CZ2 4.22Å; M160-W200 HydrophobicContact SD-CD2 3.39Å; M160-W200 HydrophobicContact SD-CE3 3.72Å; M160-W200 HydrophobicContact SD-CG 4.1Å; M160-W200 HydrophobicContact SD-CH2 3.66Å; M160-W200 HydrophobicContact SD-CZ2 3.25Å; M160-W200 WeakPolarHBondContact SD-CZ2 3.37Å; M160-W200 HydrophobicContact SD-CZ3 3.85Å; C163-W200 HydrophobicContact CB-CH2 4.09Å; C163-W200 HydrophobicContact CB-CZ3 3.81Å; V193-W200 HydrophobicContact CB-CE3 4.28Å; V193-W200 HydrophobicContact CG2-CE3 3.74Å; V193-W200 HydrophobicContact CG2-CZ3 3.76Å; Y196-W200 VanDerWaalsContact CB-NE1 3.32Å; Y196-W200 HydrophobicContact CD1-CZ2 4.42Å; Y196-W200 HydrophobicContact CD2-CZ2 4.31Å; Y196-W200 HydrophobicContact CG-CZ2 4.03Å; Y196-W200 AromaticContact CG-NE1 3.89Å; G197-W200 PolarHBondContact O-N 3.39Å; W200-L202 PolarHBondContact O-N 2.88Å
201S69.4Low82Confident52 Ų5263.9 Ų63.936%0.36433%0.33SS..  trans-65.7119.6-175.9-179.40000110.7K203 Y204S201-K203 PolarHBondContact O-N 3.1Å; S201-K203 WeakPolarHBondContact OG-CB 3.4Å; S201-K203 PolarHBondContact OG-N 3.41Å; S201-Y204 PolarHBondContact O-N 3.27Å
202L80.9Confident82.4Confident72 Ų7259.3 Ų59.338%0.37731%0.309SS..Hα-helixtrans-46-25.5169.5-75.3165.6000112.6W200 Y204 R205 A206 I235 H239W200-L202 PolarHBondContact O-N 2.88Å; L202-Y204 PolarHBondContact O-N 3.13Å; L202-R205 WeakPolarHBondContact O-CB 3.48Å; L202-R205 PolarHBondContact O-N 3.12Å; L202-A206 WeakPolarHBondContact O-CB 3.46Å; L202-A206 PolarHBondContact O-N 2.97Å; L202-I235 HydrophobicContact CB-CG2 3.81Å; L202-H239 WeakPolarHBondContact CD1-NE2 3.34Å
203K83.6Confident82.8Confident54 Ų5458.3 Ų58.324%0.23530%0.304CS..Hα-helixtrans-52.1-48170.5-172.5-176.6-170.8173.20113.6E55 S201 A206 M207E55-K203 IonicContact OE1-NZ 2.76Å; E55-K203 PolarHBondContact OE1-NZ 3.21Å; S201-K203 PolarHBondContact O-N 3.1Å; S201-K203 WeakPolarHBondContact OG-CB 3.4Å; S201-K203 PolarHBondContact OG-N 3.41Å; K203-A206 PolarHBondContact O-N 3.44Å; K203-M207 HydrophobicContact CG-SD 4.44Å; K203-M207 WeakPolarHBondContact O-CB 3.48Å; K203-M207 WeakPolarHBondContact O-CG 3.42Å; K203-M207 PolarHBondContact O-N 3.41Å
204Y87.6Confident83.4Confident37 Ų3758.7 Ų58.715%0.14531%0.306CS..Hα-helixtrans-72-35-177.8-61.7-69.6000111.4M160 R164 S201 L202 M207 S208M160-Y204 HydrophobicContact CE-CD1 4.48Å; M160-Y204 HydrophobicContact CE-CD2 3.1Å; M160-Y204 HydrophobicContact CE-CE1 4.32Å; M160-Y204 HydrophobicContact CE-CE2 2.88Å; M160-Y204 HydrophobicContact CE-CG 3.93Å; R164-Y204 HydrophobicContact CG-CD1 3.93Å; R164-Y204 HydrophobicContact CG-CE1 3.37Å; S201-Y204 PolarHBondContact O-N 3.27Å; L202-Y204 PolarHBondContact O-N 3.13Å; Y204-M207 PolarHBondContact O-N 3.04Å; Y204-S208 WeakPolarHBondContact O-CB 3.09Å; Y204-S208 PolarHBondContact O-N 3.29Å; Y204-S208 PolarHBondContact O-OG 2.92Å
205R90.4Very high84.1Confident98 Ų9854.4 Ų54.437%0.3728%0.283SS..Hα-helixtrans-57.7-50.1169.7-166.7176.3-131.71805.2111.1V193 N194 L202 S208 Q209 I235V193-R205 HydrophobicContact CG1-CB 3.97Å; V193-R205 HydrophobicContact CG1-CG 4.43Å; N194-R205 PolarHBondContact OD1-NH2 3.32Å; L202-R205 WeakPolarHBondContact O-CB 3.48Å; L202-R205 PolarHBondContact O-N 3.12Å; R205-S208 PolarHBondContact O-N 3.49Å; R205-Q209 WeakPolarHBondContact O-CB 3.27Å; R205-Q209 VanDerWaalsContact O-CG 3.29Å; R205-Q209 WeakPolarHBondContact O-CG 3.29Å; R205-Q209 PolarHBondContact O-N 3.42Å; R205-I235 HydrophobicContact CB-CD1 4.34Å; R205-I235 HydrophobicContact CG-CD1 4.22Å
206A93.6Very high84.9Confident1 Ų150.8 Ų50.81%0.00826%0.26CS..Hα-helixtrans-63-44.5-179.400000111.5L202 K203 S208 Q209 Y210 S232 I235 L244L202-A206 WeakPolarHBondContact O-CB 3.46Å; L202-A206 PolarHBondContact O-N 2.97Å; K203-A206 PolarHBondContact O-N 3.44Å; A206-S208 PolarHBondContact O-N 3.32Å; A206-Q209 PolarHBondContact O-N 2.97Å; A206-Y210 PolarHBondContact O-N 3.16Å; A206-S232 WeakPolarHBondContact O-CB 3.13Å; A206-S232 PolarHBondContact O-OG 3.27Å; A206-I235 HydrophobicContact CB-CB 3.77Å; A206-I235 HydrophobicContact CB-CD1 4.07Å; A206-I235 HydrophobicContact CB-CG2 3.72Å; A206-L244 HydrophobicContact CB-CD2 3.39Å
207M94.7Very high86.2Confident50 Ų5046 Ų4625%0.24624%0.241CC..Hα-helixtrans-59.6-46.3174.9-76.3-177.65500112.7C167 K203 Y204 Y210 H211C167-M207 HydrophobicContact CB-CE 4.38Å; K203-M207 HydrophobicContact CG-SD 4.44Å; K203-M207 WeakPolarHBondContact O-CB 3.48Å; K203-M207 WeakPolarHBondContact O-CG 3.42Å; K203-M207 PolarHBondContact O-N 3.41Å; Y204-M207 PolarHBondContact O-N 3.04Å; M207-Y210 WeakPolarHBondContact O-CB 3.49Å; M207-Y210 PolarHBondContact O-N 2.96Å; M207-H211 PolarHBondContact O-CD2 3.46Å; M207-H211 PolarHBondContact O-N 3.45Å
208S95.6Very high88.2Confident0 Ų046.6 Ų46.60%024%0.235CC..Hα-helixtrans-61-46177.5-59.60000111A189 Y204 R205 A206 Y210 H211 M212A189-S208 VanDerWaalsContact CB-OG 3.28Å; A189-S208 WeakPolarHBondContact CB-OG 3.05Å; Y204-S208 WeakPolarHBondContact O-CB 3.09Å; Y204-S208 PolarHBondContact O-N 3.29Å; Y204-S208 PolarHBondContact O-OG 2.92Å; R205-S208 PolarHBondContact O-N 3.49Å; A206-S208 PolarHBondContact O-N 3.32Å; S208-Y210 VanDerWaalsContact C-N 3.34Å; S208-Y210 PolarHBondContact O-N 3.27Å; S208-H211 PolarHBondContact O-N 3.25Å; S208-M212 VanDerWaalsContact O-CG 3.31Å; S208-M212 WeakPolarHBondContact O-CG 3.31Å; S208-M212 PolarHBondContact O-N 3.01Å
209Q97.5Very high90.1Very high38 Ų3838.4 Ų38.418%0.17820%0.202CC..Hα-helixtrans-60-42176-71.6-63.9-17.400112.2R205 A206 H211 M212 A213 C228 E231R205-Q209 WeakPolarHBondContact O-CB 3.27Å; R205-Q209 VanDerWaalsContact O-CG 3.29Å; R205-Q209 WeakPolarHBondContact O-CG 3.29Å; R205-Q209 PolarHBondContact O-N 3.42Å; A206-Q209 PolarHBondContact O-N 2.97Å; Q209-H211 PolarHBondContact O-N 3.01Å; Q209-M212 PolarHBondContact O-N 3.1Å; Q209-A213 WeakPolarHBondContact O-CB 3.34Å; Q209-A213 PolarHBondContact O-N 3.44Å; Q209-C228 WeakPolarHBondContact O-CB 3.49Å; Q209-C228 PolarHBondContact OE1-SG 3.1Å; Q209-E231 HydrophobicContact CG-CG 4.35Å
210Y98.5Very high92.2Very high20 Ų2036.9 Ų36.98%0.07819%0.186CC..Hα-helixtrans-59.2-47.8173.9167.3-103.1000112.3A206 M207 S208 M212 A213 V214 L244 L247 C251A206-Y210 PolarHBondContact O-N 3.16Å; M207-Y210 WeakPolarHBondContact O-CB 3.49Å; M207-Y210 PolarHBondContact O-N 2.96Å; S208-Y210 VanDerWaalsContact C-N 3.34Å; S208-Y210 PolarHBondContact O-N 3.27Å; Y210-M212 VanDerWaalsContact C-N 3.35Å; Y210-M212 PolarHBondContact O-N 3.3Å; Y210-A213 WeakPolarHBondContact O-CB 3.49Å; Y210-A213 PolarHBondContact O-N 2.96Å; Y210-V214 HydrophobicContact CD2-CG2 4.48Å; Y210-V214 HydrophobicContact CE1-CG2 4.14Å; Y210-V214 HydrophobicContact CE2-CG2 3.87Å; Y210-V214 WeakPolarHBondContact O-CG2 3.27Å; Y210-V214 PolarHBondContact O-N 3.08Å; Y210-L244 HydrophobicContact CD1-CD1 4.49Å; Y210-L244 HydrophobicContact CG-CD1 4.08Å; Y210-L247 HydrophobicContact CD2-CB 4.12Å; Y210-L247 HydrophobicContact CE1-CB 4.18Å; Y210-L247 HydrophobicContact CE1-CD1 4.09Å; Y210-L247 HydrophobicContact CE2-CB 3.62Å; Y210-L247 VanDerWaalsContact CE2-O 3.29Å; Y210-L247 WeakPolarHBondContact CE2-O 3.3Å; Y210-C251 HydrophobicContact CE2-CB 4Å
211H98.6Very high94Very high31 Ų3139.9 Ų39.914%0.14420%0.202CC..Hα-helixtrans-68.1-34.6-180-74.7-70.9000112.5P186 M207 S208 Q209 V214 A215P186-H211 HydrophobicContact CB-CB 3.81Å; P186-H211 HydrophobicContact CG-CB 3.48Å; P186-H211 VanDerWaalsContact CG-CB 3.48Å; M207-H211 PolarHBondContact O-CD2 3.46Å; M207-H211 PolarHBondContact O-N 3.45Å; S208-H211 PolarHBondContact O-N 3.25Å; Q209-H211 PolarHBondContact O-N 3.01Å; H211-V214 PolarHBondContact O-N 3.44Å; H211-A215 PolarHBondContact O-N 3.09Å
212M98.6Very high95.3Very high19 Ų1939 Ų399%0.09419%0.193CC..Hα-helixtrans-60.9-43.8169.6-69.7172.46400111.3L183 P186 A190 S208 Q209 Y210 V214 A215 Y216 C228L183-M212 HydrophobicContact CD1-CB 4.37Å; L183-M212 HydrophobicContact CD1-CG 4.35Å; P186-M212 HydrophobicContact CB-CG 3.61Å; A190-M212 HydrophobicContact CB-SD 4.21Å; S208-M212 VanDerWaalsContact O-CG 3.31Å; S208-M212 WeakPolarHBondContact O-CG 3.31Å; S208-M212 PolarHBondContact O-N 3.01Å; Q209-M212 PolarHBondContact O-N 3.1Å; Y210-M212 VanDerWaalsContact C-N 3.35Å; Y210-M212 PolarHBondContact O-N 3.3Å; M212-V214 VanDerWaalsContact C-N 3.32Å; M212-V214 PolarHBondContact O-N 3.5Å; M212-A215 PolarHBondContact O-N 3.13Å; M212-A215 VanDerWaalsContact O-N 3.16Å; M212-Y216 HydrophobicContact CB-CD2 4.35Å; M212-Y216 HydrophobicContact CB-CE2 4.29Å; M212-Y216 HydrophobicContact CE-CE2 4.01Å; M212-Y216 WeakPolarHBondContact O-CB 3.48Å; M212-Y216 VanDerWaalsContact O-CD2 3.25Å; M212-Y216 WeakPolarHBondContact O-CD2 3.47Å; M212-Y216 PolarHBondContact O-N 2.97Å; M212-C228 HydrophobicContact CB-CB 4.45Å
213A98.8Very high96.2Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-58.7-43.9176.800000112.1Q209 Y210 R217 A225 C228 C229Q209-A213 WeakPolarHBondContact O-CB 3.34Å; Q209-A213 PolarHBondContact O-N 3.44Å; Y210-A213 WeakPolarHBondContact O-CB 3.49Å; Y210-A213 PolarHBondContact O-N 2.96Å; A213-R217 VanDerWaalsContact O-CB 3.3Å; A213-R217 WeakPolarHBondContact O-CB 3.31Å; A213-R217 PolarHBondContact O-N 3.44Å; A213-A225 VanDerWaalsContact CB-O 3.3Å; A213-A225 WeakPolarHBondContact CB-O 3.13Å; A213-A225 WeakPolarHBondContact O-CB 3.44Å; A213-C228 HydrophobicContact CB-CB 3.72Å; A213-C229 HydrophobicContact CB-CB 3.81Å
214V98.8Very high96.9Very high20 Ų2037 Ų3712%0.12120%0.198CC..Hα-helixtrans-60.3-46.4175173.40000110.9A174 Y210 H211 M212 R217 L218A174-V214 HydrophobicContact CB-CG1 4.5Å; Y210-V214 HydrophobicContact CD2-CG2 4.48Å; Y210-V214 HydrophobicContact CE1-CG2 4.14Å; Y210-V214 HydrophobicContact CE2-CG2 3.87Å; Y210-V214 WeakPolarHBondContact O-CG2 3.27Å; Y210-V214 PolarHBondContact O-N 3.08Å; H211-V214 PolarHBondContact O-N 3.44Å; M212-V214 VanDerWaalsContact C-N 3.32Å; M212-V214 PolarHBondContact O-N 3.5Å; V214-R217 PolarHBondContact O-N 3.04Å; V214-L218 HydrophobicContact CG1-CD1 3.99Å; V214-L218 VanDerWaalsContact O-CG 3.29Å; V214-L218 WeakPolarHBondContact O-CG 3.38Å; V214-L218 PolarHBondContact O-N 2.91Å; V214-L218 VanDerWaalsContact O-N 3.08Å
215A98.6Very high97.4Very high1 Ų135.2 Ų35.21%0.00819%0.191CC..Hα-helixtrans-66.2-47.5-179.600000112.6A182 L183 H211 M212 R217 L218 L219A182-A215 HydrophobicContact CB-CB 4.18Å; L183-A215 HydrophobicContact CB-CB 3.81Å; L183-A215 HydrophobicContact CD1-CB 4.04Å; H211-A215 PolarHBondContact O-N 3.09Å; M212-A215 PolarHBondContact O-N 3.13Å; M212-A215 VanDerWaalsContact O-N 3.16Å; A215-R217 VanDerWaalsContact C-N 3.27Å; A215-R217 PolarHBondContact O-N 3.01Å; A215-L218 PolarHBondContact O-N 3.38Å; A215-L218 VanDerWaalsContact O-N 3.09Å; A215-L219 WeakPolarHBondContact O-CG 3.47Å; A215-L219 PolarHBondContact O-N 3.49Å
216Y98.8Very high97.8Very high53 Ų5331.6 Ų31.621%0.20818%0.179CC..Hα-helixtrans-57.3-41.2175.6-80.6-53.7000112.1L183 M212 L218 L219 G220 H221L183-Y216 HydrophobicContact CD1-CD1 4.36Å; L183-Y216 HydrophobicContact CD1-CD2 4.22Å; L183-Y216 HydrophobicContact CD1-CE1 4.07Å; L183-Y216 HydrophobicContact CD1-CE2 3.92Å; L183-Y216 HydrophobicContact CD1-CG 4.41Å; L183-Y216 HydrophobicContact CD2-CD1 4.21Å; L183-Y216 HydrophobicContact CD2-CE1 3.72Å; M212-Y216 HydrophobicContact CB-CD2 4.35Å; M212-Y216 HydrophobicContact CB-CE2 4.29Å; M212-Y216 HydrophobicContact CE-CE2 4.01Å; M212-Y216 WeakPolarHBondContact O-CB 3.48Å; M212-Y216 VanDerWaalsContact O-CD2 3.25Å; M212-Y216 WeakPolarHBondContact O-CD2 3.47Å; M212-Y216 PolarHBondContact O-N 2.97Å; Y216-L218 PolarHBondContact O-N 3.22Å; Y216-L219 CarbonylContact O-C 3.58Å; Y216-L219 PolarHBondContact O-N 3.41Å; Y216-G220 PolarHBondContact O-N 3.31Å; Y216-G220 VanDerWaalsContact O-N 3.09Å; Y216-H221 HydrophobicContact CD1-CB 3.94Å; Y216-H221 HydrophobicContact CG-CB 4.47Å; Y216-H221 PolarHBondContact O-N 2.88Å
217R98.4Very high98.1Very high34 Ų3437.7 Ų37.713%0.12821%0.207CC..Hα-helixtrans-62.3-43.5176179.1-173.363.5107.4-16.1111.9A213 V214 A215 L219 G220 L222 A225 D254 I255A213-R217 VanDerWaalsContact O-CB 3.3Å; A213-R217 WeakPolarHBondContact O-CB 3.31Å; A213-R217 PolarHBondContact O-N 3.44Å; V214-R217 PolarHBondContact O-N 3.04Å; A215-R217 VanDerWaalsContact C-N 3.27Å; A215-R217 PolarHBondContact O-N 3.01Å; R217-L219 VanDerWaalsContact C-N 3.26Å; R217-L219 PolarHBondContact O-N 3.04Å; R217-G220 PolarHBondContact O-N 3.17Å; R217-L222 HydrophobicContact CG-CD2 4.02Å; R217-A225 HydrophobicContact CB-CB 3.89Å; R217-D254 IonicContact CZ-OD2 2.83Å; R217-D254 IonicContact NE-OD2 2.73Å; R217-D254 IonicContact NH1-OD1 3.69Å; R217-D254 IonicContact NH1-OD2 3.31Å; R217-D254 PolarHBondContact NH1-OD2 3.22Å; R217-D254 IonicContact NH2-OD2 2.94Å; R217-D254 PolarHBondContact NH2-OD2 3.26Å; R217-I255 HydrophobicContact CB-CG1 4.41Å; R217-I255 HydrophobicContact CG-CG1 4.12Å
218L97.8Very high98.2Very high49 Ų4935.9 Ų35.926%0.25720%0.199SC..Hα-helixtrans-66.9-28.8178.5-69.8169.4000112.4A174 Y179 V214 A215 Y216 G220A174-L218 HydrophobicContact CB-CD1 3.72Å; Y179-L218 HydrophobicContact CD1-CB 3.85Å; Y179-L218 HydrophobicContact CD1-CD1 4.01Å; Y179-L218 HydrophobicContact CD1-CG 4.46Å; Y179-L218 HydrophobicContact CD2-CB 3.99Å; Y179-L218 WeakPolarHBondContact CD2-O 3.35Å; Y179-L218 HydrophobicContact CE1-CB 3.83Å; Y179-L218 HydrophobicContact CE1-CD1 3.79Å; Y179-L218 HydrophobicContact CE1-CD2 4.16Å; Y179-L218 HydrophobicContact CE1-CG 4.14Å; Y179-L218 HydrophobicContact CE2-CB 3.98Å; Y179-L218 WeakPolarHBondContact CE2-O 3.48Å; Y179-L218 HydrophobicContact CG-CB 3.94Å; V214-L218 HydrophobicContact CG1-CD1 3.99Å; V214-L218 VanDerWaalsContact O-CG 3.29Å; V214-L218 WeakPolarHBondContact O-CG 3.38Å; V214-L218 PolarHBondContact O-N 2.91Å; V214-L218 VanDerWaalsContact O-N 3.08Å; A215-L218 PolarHBondContact O-N 3.38Å; A215-L218 VanDerWaalsContact O-N 3.09Å; Y216-L218 PolarHBondContact O-N 3.22Å; L218-G220 VanDerWaalsContact C-N 3.29Å
219L97.6Very high98.4Very high53 Ų5335.9 Ų35.928%0.27720%0.199SC..THydrogen-bonded Turntrans-78.8-8.1170.9-69.5165.9000113.6Y179 L183 A215 Y216 R217 H221Y179-L219 HydrophobicContact CD2-CD2 4.48Å; L183-L219 HydrophobicContact CB-CD1 4.36Å; L183-L219 HydrophobicContact CD2-CD1 3.88Å; A215-L219 WeakPolarHBondContact O-CG 3.47Å; A215-L219 PolarHBondContact O-N 3.49Å; Y216-L219 CarbonylContact O-C 3.58Å; Y216-L219 PolarHBondContact O-N 3.41Å; R217-L219 VanDerWaalsContact C-N 3.26Å; R217-L219 PolarHBondContact O-N 3.04Å; L219-H221 VanDerWaalsContact CB-CD2 3.47Å; L219-H221 WeakPolarHBondContact CB-CD2 3.46Å
220G97.4Very high98.4Very high50 Ų5039.3 Ų39.352%0.51522%0.215SC..THydrogen-bonded Turntrans84.82.1-177.800000114.9Y216 R217 L218 L222Y216-G220 PolarHBondContact O-N 3.31Å; Y216-G220 VanDerWaalsContact O-N 3.09Å; R217-G220 PolarHBondContact O-N 3.17Å; L218-G220 VanDerWaalsContact C-N 3.29Å; G220-L222 PolarHBondContact O-N 3.13Å
221H98.3Very high98.4Very high105 Ų10541.5 Ų41.549%0.48623%0.226SC..  trans-78.668.1174.7-58.5-65.5000110.9Y216 L219 G223 S224 A225Y216-H221 HydrophobicContact CD1-CB 3.94Å; Y216-H221 HydrophobicContact CG-CB 4.47Å; Y216-H221 PolarHBondContact O-N 2.88Å; L219-H221 VanDerWaalsContact CB-CD2 3.47Å; L219-H221 WeakPolarHBondContact CB-CD2 3.46Å; H221-G223 PolarHBondContact O-N 2.97Å; H221-S224 PolarHBondContact O-N 3.39Å; H221-A225 WeakPolarHBondContact O-CB 3.38Å; H221-A225 PolarHBondContact O-N 3.31Å
222L98.3Very high98.3Very high34 Ų3440 Ų4018%0.17822%0.219CC..Hα-helixtrans-67.4-17.7-171.7-56.8-175.1000114.6R217 G220 M226 I255 R259R217-L222 HydrophobicContact CG-CD2 4.02Å; G220-L222 PolarHBondContact O-N 3.13Å; L222-M226 PolarHBondContact O-N 3.36Å; L222-I255 HydrophobicContact CB-CG2 4.43Å; L222-R259 HydrophobicContact CD1-CG 3.64Å; L222-R259 PolarHBondContact O-NH2 3.41Å
223G98.4Very high98.3Very high40 Ų4040.7 Ų40.741%0.41222%0.223SC..Hα-helixtrans-73-60.5173.500000111H221 A225 M226 E227H221-G223 PolarHBondContact O-N 2.97Å; G223-A225 PolarHBondContact O-N 2.9Å; G223-M226 WeakPolarHBondContact O-CA 3.36Å; G223-M226 VanDerWaalsContact O-CB 3.31Å; G223-M226 WeakPolarHBondContact O-CB 3.48Å; G223-M226 PolarHBondContact O-N 3.45Å; G223-E227 PolarHBondContact O-N 2.82Å; G223-E227 VanDerWaalsContact O-N 3.09Å
224S98.6Very high98.2Very high44 Ų4445.9 Ų45.931%0.30825%0.245SC..Hα-helixtrans-57.3-35.9175.2-48.50000112.6H221 M226 E227 C228H221-S224 PolarHBondContact O-N 3.39Å; S224-M226 VanDerWaalsContact C-N 3.31Å; S224-M226 PolarHBondContact O-N 3.46Å; S224-E227 PolarHBondContact O-N 3.47Å; S224-C228 WeakPolarHBondContact O-CB 3.47Å; S224-C228 PolarHBondContact O-N 2.9Å; S224-C228 PolarHBondContact O-SG 2.93Å
225A98.7Very high97.9Very high0 Ų045.2 Ų45.20%024%0.241CC..Hα-helixtrans-60.6-39.917300000112.8A213 R217 H221 G223 C229 I255A213-A225 VanDerWaalsContact CB-O 3.3Å; A213-A225 WeakPolarHBondContact CB-O 3.13Å; A213-A225 WeakPolarHBondContact O-CB 3.44Å; R217-A225 HydrophobicContact CB-CB 3.89Å; H221-A225 WeakPolarHBondContact O-CB 3.38Å; H221-A225 PolarHBondContact O-N 3.31Å; G223-A225 PolarHBondContact O-N 2.9Å; A225-C229 WeakPolarHBondContact O-CB 3.48Å; A225-C229 PolarHBondContact O-N 2.95Å; A225-C229 VanDerWaalsContact O-N 3.13Å; A225-I255 HydrophobicContact CB-CD1 3.88Å; A225-I255 HydrophobicContact CB-CG1 4.23Å
226M98.7Very high97.7Very high21 Ų2145.2 Ų45.210%0.10324%0.241CC..Hα-helixtrans-66.9-49.2177.7-170.269.182.900110.5L222 G223 S224 C228 C229 E230 F252 I255L222-M226 PolarHBondContact O-N 3.36Å; G223-M226 WeakPolarHBondContact O-CA 3.36Å; G223-M226 VanDerWaalsContact O-CB 3.31Å; G223-M226 WeakPolarHBondContact O-CB 3.48Å; G223-M226 PolarHBondContact O-N 3.45Å; S224-M226 VanDerWaalsContact C-N 3.31Å; S224-M226 PolarHBondContact O-N 3.46Å; M226-C228 PolarHBondContact O-N 3.4Å; M226-C229 PolarHBondContact O-N 3.16Å; M226-C229 VanDerWaalsContact O-N 3.11Å; M226-E230 HydrophobicContact CG-CG 4.37Å; M226-E230 WeakPolarHBondContact O-CG 3.36Å; M226-E230 PolarHBondContact O-N 2.85Å; M226-F252 HydrophobicContact SD-CD1 3.41Å; M226-F252 WeakPolarHBondContact SD-CD1 3.43Å; M226-F252 HydrophobicContact SD-CE1 3.46Å; M226-F252 WeakPolarHBondContact SD-CE1 3.25Å; M226-I255 HydrophobicContact CE-CG2 3.74Å; M226-I255 HydrophobicContact SD-CD1 4.46Å
227E98.6Very high97.4Very high129 Ų12947.6 Ų47.660%0.60326%0.257SS*.Hα-helixtrans-57.2-49.9-179.7-68.1169.4-173.100112G223 S224 C229 E230 E231G223-E227 PolarHBondContact O-N 2.82Å; G223-E227 VanDerWaalsContact O-N 3.09Å; S224-E227 PolarHBondContact O-N 3.47Å; E227-C229 VanDerWaalsContact C-N 3.31Å; E227-C229 PolarHBondContact O-N 2.91Å; E227-E230 PolarHBondContact O-N 3.07Å; E227-E231 PolarHBondContact O-N 3.15Å
228C98.5Very high97Very high13 Ų1351.7 Ų51.79%0.08828%0.277CS..Hα-helixtrans-60.9-40176.2-73.30000112.1Q209 M212 A213 S224 M226 S232Q209-C228 WeakPolarHBondContact O-CB 3.49Å; Q209-C228 PolarHBondContact OE1-SG 3.1Å; M212-C228 HydrophobicContact CB-CB 4.45Å; A213-C228 HydrophobicContact CB-CB 3.72Å; S224-C228 WeakPolarHBondContact O-CB 3.47Å; S224-C228 PolarHBondContact O-N 2.9Å; S224-C228 PolarHBondContact O-SG 2.93Å; M226-C228 PolarHBondContact O-N 3.4Å; C228-S232 WeakPolarHBondContact O-CB 3.39Å; C228-S232 PolarHBondContact O-N 3.26Å
229C98.5Very high96.3Very high0 Ų053.7 Ų53.70%029%0.285CS..Hα-helixtrans-69.6-36.9179.7-165.40000112A213 A225 M226 E227 M233 C248 F252 I255A213-C229 HydrophobicContact CB-CB 3.81Å; A225-C229 WeakPolarHBondContact O-CB 3.48Å; A225-C229 PolarHBondContact O-N 2.95Å; A225-C229 VanDerWaalsContact O-N 3.13Å; M226-C229 PolarHBondContact O-N 3.16Å; M226-C229 VanDerWaalsContact O-N 3.11Å; E227-C229 VanDerWaalsContact C-N 3.31Å; E227-C229 PolarHBondContact O-N 2.91Å; C229-M233 VanDerWaalsContact O-CB 3.28Å; C229-M233 WeakPolarHBondContact O-CB 3.36Å; C229-M233 PolarHBondContact O-N 3.31Å; C229-C248 PolarHBondContact SG-O 2.89Å; C229-C248 VanDerWaalsContact SG-O 3.41Å; C229-F252 HydrophobicContact CB-CD1 4.1Å; C229-F252 HydrophobicContact CB-CE1 3.6Å; C229-F252 HydrophobicContact CB-CZ 3.94Å; C229-F252 VanDerWaalsContact SG-CE1 3.53Å; C229-F252 VanDerWaalsContact SG-CZ 3.55Å; C229-I255 HydrophobicContact CB-CD1 4.47Å
230E98.7Very high95.8Very high109 Ų10953 Ų5351%0.50929%0.291SS..Hα-helixtrans-64.9-45.5174.7-74.7175.6173.400112M226 E227 S232 M233 K234 F252M226-E230 HydrophobicContact CG-CG 4.37Å; M226-E230 WeakPolarHBondContact O-CG 3.36Å; M226-E230 PolarHBondContact O-N 2.85Å; E227-E230 PolarHBondContact O-N 3.07Å; E230-S232 PolarHBondContact O-N 3.17Å; E230-M233 PolarHBondContact O-N 2.74Å; E230-K234 WeakPolarHBondContact O-CB 3.41Å; E230-K234 PolarHBondContact O-N 2.95Å; E230-F252 HydrophobicContact CB-CZ 4.49Å; E230-F252 HydrophobicContact CG-CE1 3.82Å; E230-F252 HydrophobicContact CG-CZ 3.84Å
231E96.9Very high95.5Very high67 Ų6751.8 Ų51.831%0.31327%0.272SS..Hα-helixtrans-63.7-43.1176.8-175.761-167.300111.3Q209 E227 K234 I235Q209-E231 HydrophobicContact CG-CG 4.35Å; E227-E231 PolarHBondContact O-N 3.15Å; E231-K234 PolarHBondContact O-N 3.4Å; E231-K234 IonicContact OE2-NZ 3.85Å; E231-I235 HydrophobicContact CG-CD1 4.41Å; E231-I235 WeakPolarHBondContact O-CG1 3.49Å; E231-I235 PolarHBondContact O-N 3.24Å
232S97.6Very high95.2Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-59.7-48.2173.3176.30000112.2A206 C228 E230 K234 I235 A236 C248A206-S232 WeakPolarHBondContact O-CB 3.13Å; A206-S232 PolarHBondContact O-OG 3.27Å; C228-S232 WeakPolarHBondContact O-CB 3.39Å; C228-S232 PolarHBondContact O-N 3.26Å; E230-S232 PolarHBondContact O-N 3.17Å; S232-K234 VanDerWaalsContact C-N 3.33Å; S232-K234 PolarHBondContact O-N 2.89Å; S232-I235 PolarHBondContact O-N 3.13Å; S232-A236 WeakPolarHBondContact O-CB 3.44Å; S232-A236 PolarHBondContact O-N 3.4Å; S232-C248 PolarHBondContact OG-SG 3.38Å
233M98.1Very high95.1Very high32 Ų3249.2 Ų49.216%0.15826%0.258CS..Hα-helixtrans-61.2-41.3179.5-175.366.1178.900112C229 E230 A236 L237 Q245 C248 F252C229-M233 VanDerWaalsContact O-CB 3.28Å; C229-M233 WeakPolarHBondContact O-CB 3.36Å; C229-M233 PolarHBondContact O-N 3.31Å; E230-M233 PolarHBondContact O-N 2.74Å; M233-A236 PolarHBondContact O-N 2.86Å; M233-L237 HydrophobicContact CE-CD1 4.1Å; M233-L237 HydrophobicContact CE-CD2 4.12Å; M233-L237 HydrophobicContact CE-CG 4.07Å; M233-L237 HydrophobicContact CG-CD1 4.14Å; M233-L237 HydrophobicContact CG-CG 4.48Å; M233-L237 WeakPolarHBondContact O-CB 3.25Å; M233-L237 WeakPolarHBondContact O-CG 3.22Å; M233-L237 PolarHBondContact O-N 3.15Å; M233-Q245 HydrophobicContact CE-CB 4.25Å; M233-Q245 HydrophobicContact CE-CG 4.19Å; M233-Q245 HydrophobicContact SD-CB 4.16Å; M233-Q245 HydrophobicContact SD-CG 4.12Å; M233-C248 HydrophobicContact CB-CB 4.06Å; M233-C248 HydrophobicContact CG-CB 4.45Å; M233-C248 HydrophobicContact SD-CB 3.75Å; M233-F252 HydrophobicContact CB-CE2 3.96Å; M233-F252 HydrophobicContact CB-CZ 4.22Å; M233-F252 HydrophobicContact CG-CE2 4.06Å
234K96.5Very high95Very high110 Ų11047.7 Ų47.748%0.47824%0.24SC..Hα-helixtrans-59.2-48.1177.6177.9-176.2172.8-168.80111.4E230 E231 S232 L237 Q238E230-K234 WeakPolarHBondContact O-CB 3.41Å; E230-K234 PolarHBondContact O-N 2.95Å; E231-K234 PolarHBondContact O-N 3.4Å; E231-K234 IonicContact OE2-NZ 3.85Å; S232-K234 VanDerWaalsContact C-N 3.33Å; S232-K234 PolarHBondContact O-N 2.89Å; K234-L237 PolarHBondContact O-N 3.15Å; K234-Q238 VanDerWaalsContact O-CG 3.32Å; K234-Q238 WeakPolarHBondContact O-CG 3.44Å; K234-Q238 PolarHBondContact O-N 3.42Å; K234-Q238 VanDerWaalsContact O-N 3.08Å
235I93Very high94.9Very high5 Ų546.5 Ų46.53%0.02623%0.23CC..Hα-helixtrans-65.6-43177.3-60.9167.2000110.4L202 R205 A206 E231 S232 L237 Q238 H239L202-I235 HydrophobicContact CB-CG2 3.81Å; R205-I235 HydrophobicContact CB-CD1 4.34Å; R205-I235 HydrophobicContact CG-CD1 4.22Å; A206-I235 HydrophobicContact CB-CB 3.77Å; A206-I235 HydrophobicContact CB-CD1 4.07Å; A206-I235 HydrophobicContact CB-CG2 3.72Å; E231-I235 HydrophobicContact CG-CD1 4.41Å; E231-I235 WeakPolarHBondContact O-CG1 3.49Å; E231-I235 PolarHBondContact O-N 3.24Å; S232-I235 PolarHBondContact O-N 3.13Å; I235-L237 VanDerWaalsContact C-N 3.28Å; I235-L237 PolarHBondContact O-N 3.29Å; I235-Q238 PolarHBondContact O-N 3.07Å; I235-H239 PolarHBondContact O-CD2 3.41Å; I235-H239 PolarHBondContact O-N 2.96Å
236A93.6Very high94.9Very high2 Ų246.5 Ų46.52%0.01723%0.23CC..Hα-helixtrans-61-35.5178.500000112.7S232 M233 G240 D241 L244 Q245S232-A236 WeakPolarHBondContact O-CB 3.44Å; S232-A236 PolarHBondContact O-N 3.4Å; M233-A236 PolarHBondContact O-N 2.86Å; A236-G240 CarbonylContact O-C 3.56Å; A236-G240 PolarHBondContact O-N 3.42Å; A236-D241 HydrophobicContact CB-CB 4.29Å; A236-D241 PolarHBondContact O-N 3.45Å; A236-L244 HydrophobicContact CB-CB 4Å; A236-L244 HydrophobicContact CB-CD2 4.01Å; A236-L244 HydrophobicContact CB-CG 3.96Å; A236-Q245 HydrophobicContact CB-CG 3.82Å; A236-Q245 PolarHBondContact O-NE2 2.85Å
237L93.3Very high94.9Very high102 Ų10247.6 Ų47.653%0.53424%0.236SC..Hα-helixtrans-69.6-43.9173.7-75.2168.8000112.1M233 K234 I235 H239 G240 Q245M233-L237 HydrophobicContact CE-CD1 4.1Å; M233-L237 HydrophobicContact CE-CD2 4.12Å; M233-L237 HydrophobicContact CE-CG 4.07Å; M233-L237 HydrophobicContact CG-CD1 4.14Å; M233-L237 HydrophobicContact CG-CG 4.48Å; M233-L237 WeakPolarHBondContact O-CB 3.25Å; M233-L237 WeakPolarHBondContact O-CG 3.22Å; M233-L237 PolarHBondContact O-N 3.15Å; K234-L237 PolarHBondContact O-N 3.15Å; I235-L237 VanDerWaalsContact C-N 3.28Å; I235-L237 PolarHBondContact O-N 3.29Å; L237-H239 PolarHBondContact O-N 3.39Å; L237-G240 PolarHBondContact O-N 3.03Å; L237-Q245 HydrophobicContact CD2-CG 4.39Å
238Q89.3Confident94.9Very high120 Ų12041.5 Ų41.556%0.56121%0.207SC*.Hα-helixtrans-58.7-32.8179.3-74.6173.2-10.300113.1K234 I235K234-Q238 VanDerWaalsContact O-CG 3.32Å; K234-Q238 WeakPolarHBondContact O-CG 3.44Å; K234-Q238 PolarHBondContact O-N 3.42Å; K234-Q238 VanDerWaalsContact O-N 3.08Å; I235-Q238 PolarHBondContact O-N 3.07Å
239H83.4Confident94.9Very high92 Ų9241.9 Ų41.943%0.42621%0.208SC..THydrogen-bonded Turntrans-104.8-0.4-178.4-68.5-77.3000114.5L202 I235 L237 D241L202-H239 WeakPolarHBondContact CD1-NE2 3.34Å; I235-H239 PolarHBondContact O-CD2 3.41Å; I235-H239 PolarHBondContact O-N 2.96Å; L237-H239 PolarHBondContact O-N 3.39Å; H239-D241 VanDerWaalsContact C-N 3.26Å; H239-D241 PolarHBondContact O-N 3.49Å
240G86.8Confident94.9Very high38 Ų3842.2 Ų42.239%0.39221%0.21SC..THydrogen-bonded Turntrans63.928.4-176.400000114.1A236 L237 R242A236-G240 CarbonylContact O-C 3.56Å; A236-G240 PolarHBondContact O-N 3.42Å; L237-G240 PolarHBondContact O-N 3.03Å; G240-R242 VanDerWaalsContact C-N 3.3Å; G240-R242 PolarHBondContact O-N 3.3Å
241D91.1Very high94.9Very high24 Ų2437.1 Ų37.113%0.12819%0.186CC..  trans-72.883.9176-170.6-31000109.8A236 H239 P243 L244 Q245A236-D241 HydrophobicContact CB-CB 4.29Å; A236-D241 PolarHBondContact O-N 3.45Å; H239-D241 VanDerWaalsContact C-N 3.26Å; H239-D241 PolarHBondContact O-N 3.49Å; D241-P243 VanDerWaalsContact OD1-CD 3.26Å; D241-P243 WeakPolarHBondContact OD1-CD 3.4Å; D241-L244 HydrophobicContact CB-CB 4.15Å; D241-L244 VanDerWaalsContact CG-CB 3.48Å; D241-L244 PolarHBondContact O-N 2.98Å; D241-L244 WeakPolarHBondContact OD1-CB 3.34Å; D241-L244 PolarHBondContact OD1-N 3.01Å; D241-Q245 VanDerWaalsContact O-CG 3.25Å; D241-Q245 WeakPolarHBondContact O-CG 3.29Å; D241-Q245 PolarHBondContact O-N 2.93Å
242R93.5Very high95Very high72 Ų7234.5 Ų34.527%0.27217%0.174SC..Hα-helixtrans-56.9-45.4-179.3-65.5-82.7-77.4156.5-6.7112.3G240 L244 Q245 A246 I275 E278G240-R242 VanDerWaalsContact C-N 3.3Å; G240-R242 PolarHBondContact O-N 3.3Å; R242-L244 PolarHBondContact O-N 3.35Å; R242-Q245 PolarHBondContact O-N 2.93Å; R242-A246 PolarHBondContact O-N 2.9Å; R242-A246 VanDerWaalsContact O-N 3.1Å; R242-I275 HydrophobicContact CB-CG2 4.31Å; R242-E278 IonicContact CZ-OE1 3.81Å; R242-E278 IonicContact CZ-OE2 3.79Å; R242-E278 IonicContact NE-OE1 2.89Å; R242-E278 PolarHBondContact NE-OE1 3.3Å; R242-E278 IonicContact NH2-OE1 3.43Å; R242-E278 PolarHBondContact NH2-OE1 3.45Å; R242-E278 IonicContact NH2-OE2 2.77Å; R242-E278 PolarHBondContact NH2-OE2 3.16Å
243P94.9Very high95.1Very high14 Ų1434.5 Ų34.59%0.09117%0.174CC..Hα-helixtrans-56.8-46.2175.6-2735.6000113.7Y59 D241 A246 L247 I279Y59-P243 HydrophobicContact CE1-CG 4.38Å; Y59-P243 VanDerWaalsContact OH-CB 3.27Å; Y59-P243 WeakPolarHBondContact OH-CB 3.46Å; Y59-P243 WeakPolarHBondContact OH-CG 3.46Å; D241-P243 VanDerWaalsContact OD1-CD 3.26Å; D241-P243 WeakPolarHBondContact OD1-CD 3.4Å; P243-A246 WeakPolarHBondContact O-CB 3.31Å; P243-A246 PolarHBondContact O-N 3.3Å; P243-L247 WeakPolarHBondContact O-CG 3.45Å; P243-L247 PolarHBondContact O-N 2.83Å; P243-L247 VanDerWaalsContact O-N 3.17Å; P243-I279 HydrophobicContact CB-CD1 4.18Å; P243-I279 HydrophobicContact CG-CD1 4.26Å
244L96.3Very high95.1Very high7 Ų733.8 Ų33.84%0.03717%0.171CC..Hα-helixtrans-70.4-35.6-179.4-172.957.7000112.1A206 Y210 A236 D241 R242 A246 L247 C248A206-L244 HydrophobicContact CB-CD2 3.39Å; Y210-L244 HydrophobicContact CD1-CD1 4.49Å; Y210-L244 HydrophobicContact CG-CD1 4.08Å; A236-L244 HydrophobicContact CB-CB 4Å; A236-L244 HydrophobicContact CB-CD2 4.01Å; A236-L244 HydrophobicContact CB-CG 3.96Å; D241-L244 HydrophobicContact CB-CB 4.15Å; D241-L244 VanDerWaalsContact CG-CB 3.48Å; D241-L244 PolarHBondContact O-N 2.98Å; D241-L244 WeakPolarHBondContact OD1-CB 3.34Å; D241-L244 PolarHBondContact OD1-N 3.01Å; R242-L244 PolarHBondContact O-N 3.35Å; L244-A246 VanDerWaalsContact C-N 3.3Å; L244-A246 PolarHBondContact O-N 3.34Å; L244-L247 HydrophobicContact CD1-CB 4.44Å; L244-L247 HydrophobicContact CD1-CD1 4.33Å; L244-L247 PolarHBondContact O-N 2.94Å; L244-C248 PolarHBondContact O-N 3.16Å; L244-C248 PolarHBondContact O-SG 3.47Å; L244-C248 VanDerWaalsContact O-SG 3.39Å
245Q97.5Very high95.2Very high20 Ų2028.6 Ų28.69%0.09315%0.148CC..Hα-helixtrans-56.4-44.1171.3-70.6167.929.300111.6M233 A236 L237 D241 R242 L247 C248 L249M233-Q245 HydrophobicContact CE-CB 4.25Å; M233-Q245 HydrophobicContact CE-CG 4.19Å; M233-Q245 HydrophobicContact SD-CB 4.16Å; M233-Q245 HydrophobicContact SD-CG 4.12Å; A236-Q245 HydrophobicContact CB-CG 3.82Å; A236-Q245 PolarHBondContact O-NE2 2.85Å; L237-Q245 HydrophobicContact CD2-CG 4.39Å; D241-Q245 VanDerWaalsContact O-CG 3.25Å; D241-Q245 WeakPolarHBondContact O-CG 3.29Å; D241-Q245 PolarHBondContact O-N 2.93Å; R242-Q245 PolarHBondContact O-N 2.93Å; Q245-L247 PolarHBondContact O-N 3.31Å; Q245-C248 PolarHBondContact O-N 3.37Å; Q245-L249 VanDerWaalsContact O-CG 3.31Å; Q245-L249 WeakPolarHBondContact O-CG 3.48Å; Q245-L249 PolarHBondContact O-N 3.47Å
246A98.1Very high95.5Very high0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-63.5-41.1177.700000112.4R242 P243 L244 L249 L250 I275 M276R242-A246 PolarHBondContact O-N 2.9Å; R242-A246 VanDerWaalsContact O-N 3.1Å; P243-A246 WeakPolarHBondContact O-CB 3.31Å; P243-A246 PolarHBondContact O-N 3.3Å; L244-A246 VanDerWaalsContact C-N 3.3Å; L244-A246 PolarHBondContact O-N 3.34Å; A246-L249 PolarHBondContact O-N 3.48Å; A246-L250 PolarHBondContact O-N 2.76Å; A246-I275 HydrophobicContact CB-CB 3.8Å; A246-I275 HydrophobicContact CB-CD1 4.42Å; A246-I275 HydrophobicContact CB-CG2 3.73Å; A246-M276 HydrophobicContact CB-CE 3.65Å; A246-M276 HydrophobicContact CB-CG 4.15Å; A246-M276 HydrophobicContact CB-SD 3.93Å
247L98.4Very high95.7Very high44 Ų4431.6 Ų31.623%0.2316%0.16CC..Hα-helixtrans-63.8-44.4175.7-71.1175.5000111.8Y210 P243 L244 Q245 L250 C251 M276Y210-L247 HydrophobicContact CD2-CB 4.12Å; Y210-L247 HydrophobicContact CE1-CB 4.18Å; Y210-L247 HydrophobicContact CE1-CD1 4.09Å; Y210-L247 HydrophobicContact CE2-CB 3.62Å; Y210-L247 VanDerWaalsContact CE2-O 3.29Å; Y210-L247 WeakPolarHBondContact CE2-O 3.3Å; P243-L247 WeakPolarHBondContact O-CG 3.45Å; P243-L247 PolarHBondContact O-N 2.83Å; P243-L247 VanDerWaalsContact O-N 3.17Å; L244-L247 HydrophobicContact CD1-CB 4.44Å; L244-L247 HydrophobicContact CD1-CD1 4.33Å; L244-L247 PolarHBondContact O-N 2.94Å; Q245-L247 PolarHBondContact O-N 3.31Å; L247-L250 PolarHBondContact O-N 2.91Å; L247-C251 PolarHBondContact O-N 2.94Å; L247-M276 HydrophobicContact CD2-CE 3.75Å; L247-M276 HydrophobicContact CG-CE 4.16Å
248C98.8Very high95.9Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-61.4-44.2174.8-70.70000111.8C229 S232 M233 L244 Q245 L250 C251 F252C229-C248 PolarHBondContact SG-O 2.89Å; C229-C248 VanDerWaalsContact SG-O 3.41Å; S232-C248 PolarHBondContact OG-SG 3.38Å; M233-C248 HydrophobicContact CB-CB 4.06Å; M233-C248 HydrophobicContact CG-CB 4.45Å; M233-C248 HydrophobicContact SD-CB 3.75Å; L244-C248 PolarHBondContact O-N 3.16Å; L244-C248 PolarHBondContact O-SG 3.47Å; L244-C248 VanDerWaalsContact O-SG 3.39Å; Q245-C248 PolarHBondContact O-N 3.37Å; C248-L250 VanDerWaalsContact C-N 3.3Å; C248-L250 PolarHBondContact O-N 3.24Å; C248-C251 PolarHBondContact O-N 3.26Å; C248-C251 VanDerWaalsContact O-N 3.13Å; C248-F252 HydrophobicContact CB-CD2 4.49Å; C248-F252 HydrophobicContact CB-CE2 4.22Å; C248-F252 WeakPolarHBondContact O-CD2 3.45Å; C248-F252 WeakPolarHBondContact O-CG 3.49Å; C248-F252 PolarHBondContact O-N 2.74Å
249L98.8Very high96.3Very high21 Ų2129.7 Ų29.711%0.1115%0.149CC..Hα-helixtrans-58.7-42.3176.1-74.9167000112.1Q245 A246 F252 A253 A272 I275Q245-L249 VanDerWaalsContact O-CG 3.31Å; Q245-L249 WeakPolarHBondContact O-CG 3.48Å; Q245-L249 PolarHBondContact O-N 3.47Å; A246-L249 PolarHBondContact O-N 3.48Å; L249-F252 PolarHBondContact O-N 3.03Å; L249-A253 WeakPolarHBondContact O-CB 3.49Å; L249-A253 PolarHBondContact O-N 3.02Å; L249-A272 HydrophobicContact CB-CB 3.86Å; L249-I275 HydrophobicContact CD1-CD1 3.82Å
250L98.6Very high96.9Very high8 Ų828 Ų284%0.04216%0.156CC..Hα-helixtrans-62.5-43.7174.5-171.6143000111.5A246 L247 C248 A253 D254 A272 Q287 A288A246-L250 PolarHBondContact O-N 2.76Å; L247-L250 PolarHBondContact O-N 2.91Å; C248-L250 VanDerWaalsContact C-N 3.3Å; C248-L250 PolarHBondContact O-N 3.24Å; L250-A253 PolarHBondContact O-N 3.45Å; L250-D254 WeakPolarHBondContact O-CB 3.39Å; L250-D254 PolarHBondContact O-N 3.46Å; L250-A272 HydrophobicContact CB-CB 4.26Å; L250-Q287 HydrophobicContact CD1-CB 3.63Å; L250-A288 HydrophobicContact CD1-CB 4.26Å
251C98.7Very high97.4Very high1 Ų128.9 Ų28.91%0.00715%0.152CC..Hα-helixtrans-65-43.7177.6-171.80000112Y210 L247 C248 A253 D254 I255Y210-C251 HydrophobicContact CE2-CB 4Å; L247-C251 PolarHBondContact O-N 2.94Å; C248-C251 PolarHBondContact O-N 3.26Å; C248-C251 VanDerWaalsContact O-N 3.13Å; C251-A253 VanDerWaalsContact C-N 3.35Å; C251-A253 PolarHBondContact O-N 3.09Å; C251-D254 WeakPolarHBondContact O-CB 3.23Å; C251-D254 PolarHBondContact O-N 3.29Å; C251-I255 VanDerWaalsContact O-CG1 3.27Å; C251-I255 WeakPolarHBondContact O-CG1 3.18Å; C251-I255 PolarHBondContact O-N 3.21Å
252F98.9Very high97.7Very high13 Ų1328.8 Ų28.86%0.05715%0.152CC..Hα-helixtrans-58.2-47173.5-71.8-52.5000111.7M226 C229 E230 M233 C248 L249 D254 I255 H256M226-F252 HydrophobicContact SD-CD1 3.41Å; M226-F252 WeakPolarHBondContact SD-CD1 3.43Å; M226-F252 HydrophobicContact SD-CE1 3.46Å; M226-F252 WeakPolarHBondContact SD-CE1 3.25Å; C229-F252 HydrophobicContact CB-CD1 4.1Å; C229-F252 HydrophobicContact CB-CE1 3.6Å; C229-F252 HydrophobicContact CB-CZ 3.94Å; C229-F252 VanDerWaalsContact SG-CE1 3.53Å; C229-F252 VanDerWaalsContact SG-CZ 3.55Å; E230-F252 HydrophobicContact CB-CZ 4.49Å; E230-F252 HydrophobicContact CG-CE1 3.82Å; E230-F252 HydrophobicContact CG-CZ 3.84Å; M233-F252 HydrophobicContact CB-CE2 3.96Å; M233-F252 HydrophobicContact CB-CZ 4.22Å; M233-F252 HydrophobicContact CG-CE2 4.06Å; C248-F252 HydrophobicContact CB-CD2 4.49Å; C248-F252 HydrophobicContact CB-CE2 4.22Å; C248-F252 WeakPolarHBondContact O-CD2 3.45Å; C248-F252 WeakPolarHBondContact O-CG 3.49Å; C248-F252 PolarHBondContact O-N 2.74Å; L249-F252 PolarHBondContact O-N 3.03Å; F252-D254 VanDerWaalsContact C-N 3.27Å; F252-D254 PolarHBondContact O-N 3.05Å; F252-I255 PolarHBondContact O-N 3.47Å; F252-I255 VanDerWaalsContact O-N 3.15Å; F252-H256 PolarHBondContact O-CD2 3.48Å; F252-H256 PolarHBondContact O-N 3.45Å
253A98.8Very high97.9Very high0 Ų031.9 Ų31.90%017%0.169CC..Hα-helixtrans-58.6-41.9177.300000111.6L249 L250 C251 R257 R268 Y269L249-A253 WeakPolarHBondContact O-CB 3.49Å; L249-A253 PolarHBondContact O-N 3.02Å; L250-A253 PolarHBondContact O-N 3.45Å; C251-A253 VanDerWaalsContact C-N 3.35Å; C251-A253 PolarHBondContact O-N 3.09Å; A253-R257 VanDerWaalsContact O-CB 3.26Å; A253-R257 WeakPolarHBondContact O-CB 3.42Å; A253-R257 PolarHBondContact O-N 2.79Å; A253-R268 HydrophobicContact CB-CB 3.66Å; A253-Y269 HydrophobicContact CB-CD1 3.62Å; A253-Y269 HydrophobicContact CB-CD2 3.7Å; A253-Y269 HydrophobicContact CB-CE1 3.55Å; A253-Y269 HydrophobicContact CB-CE2 3.61Å; A253-Y269 HydrophobicContact CB-CG 3.68Å
254D98.7Very high98Very high17 Ų1733.5 Ų33.59%0.09118%0.179CC..Hα-helixtrans-65.4-38.3175.6-107.3-21.3000112.7R217 L250 C251 F252 R257 S258 Y269R217-D254 IonicContact CZ-OD2 2.83Å; R217-D254 IonicContact NE-OD2 2.73Å; R217-D254 IonicContact NH1-OD1 3.69Å; R217-D254 IonicContact NH1-OD2 3.31Å; R217-D254 PolarHBondContact NH1-OD2 3.22Å; R217-D254 IonicContact NH2-OD2 2.94Å; R217-D254 PolarHBondContact NH2-OD2 3.26Å; L250-D254 WeakPolarHBondContact O-CB 3.39Å; L250-D254 PolarHBondContact O-N 3.46Å; C251-D254 WeakPolarHBondContact O-CB 3.23Å; C251-D254 PolarHBondContact O-N 3.29Å; F252-D254 VanDerWaalsContact C-N 3.27Å; F252-D254 PolarHBondContact O-N 3.05Å; D254-R257 IonicContact OD1-CZ 2.66Å; D254-R257 IonicContact OD1-NE 3.72Å; D254-R257 PolarHBondContact OD1-NE 3.38Å; D254-R257 IonicContact OD1-NH2 3Å; D254-R257 PolarHBondContact OD1-NH2 2.87Å; D254-S258 PolarHBondContact O-N 2.87Å; D254-S258 PolarHBondContact O-OG 3.02Å; D254-S258 VanDerWaalsContact O-OG 3.13Å; D254-Y269 WeakPolarHBondContact CA-OH 3.49Å; D254-Y269 PolarHBondContact N-OH 3.4Å; D254-Y269 PolarHBondContact OD1-OH 3.04Å
255I98.7Very high98.1Very high0 Ų033.1 Ų33.10%018%0.177CC..Hα-helixtrans-65.3-49.9174.8-67.5164.1000110.4R217 L222 A225 M226 C229 C251 F252 R257 S258 R259R217-I255 HydrophobicContact CB-CG1 4.41Å; R217-I255 HydrophobicContact CG-CG1 4.12Å; L222-I255 HydrophobicContact CB-CG2 4.43Å; A225-I255 HydrophobicContact CB-CD1 3.88Å; A225-I255 HydrophobicContact CB-CG1 4.23Å; M226-I255 HydrophobicContact CE-CG2 3.74Å; M226-I255 HydrophobicContact SD-CD1 4.46Å; C229-I255 HydrophobicContact CB-CD1 4.47Å; C251-I255 VanDerWaalsContact O-CG1 3.27Å; C251-I255 WeakPolarHBondContact O-CG1 3.18Å; C251-I255 PolarHBondContact O-N 3.21Å; F252-I255 PolarHBondContact O-N 3.47Å; F252-I255 VanDerWaalsContact O-N 3.15Å; I255-R257 VanDerWaalsContact C-N 3.35Å; I255-R257 PolarHBondContact O-N 3.24Å; I255-S258 WeakPolarHBondContact O-CB 3.34Å; I255-S258 PolarHBondContact O-N 2.8Å; I255-S258 VanDerWaalsContact O-N 3.16Å; I255-R259 WeakPolarHBondContact O-CG 3.44Å; I255-R259 PolarHBondContact O-N 3.24Å
256H98.6Very high98.2Very high19 Ų1933.2 Ų33.29%0.08818%0.177CC..Hα-helixtrans-61.7-42.6178.5-77.8-77.3000111.7F252 S258 R259 G260 D261 T264 A265 R268F252-H256 PolarHBondContact O-CD2 3.48Å; F252-H256 PolarHBondContact O-N 3.45Å; H256-S258 VanDerWaalsContact C-N 3.33Å; H256-S258 PolarHBondContact O-N 3.18Å; H256-R259 CarbonylContact O-C 3.58Å; H256-R259 WeakPolarHBondContact O-CA 3.34Å; H256-R259 WeakPolarHBondContact O-CB 3.3Å; H256-R259 PolarHBondContact O-N 3.15Å; H256-G260 PolarHBondContact O-N 3.49Å; H256-D261 HydrophobicContact CB-CB 4.37Å; H256-D261 IonicContact CE1-OD2 3.87Å; H256-D261 IonicContact CG-OD2 2.76Å; H256-D261 IonicContact ND1-OD2 3.54Å; H256-D261 PolarHBondContact ND1-OD2 3.31Å; H256-D261 PolarHBondContact O-N 3.22Å; H256-T264 WeakPolarHBondContact CB-OG1 3.47Å; H256-T264 PolarHBondContact ND1-OG1 2.86Å; H256-A265 HydrophobicContact CB-CB 4.12Å; H256-R268 PolarHBondContact CD2-NE 3.25Å; H256-R268 VanDerWaalsContact CD2-NE 3.31Å; H256-R268 PolarHBondContact NE2-NE 3.15Å; H256-R268 PolarHBondContact NE2-NH2 3.2Å
257R98.3Very high98.2Very high52 Ų5236.6 Ų36.620%0.19620%0.199CC..Hα-helixtrans-58-43.3172.8-174.6-177.96166.26.3111.9A253 D254 I255 R259 G260 L262 A265 Y269 C295A253-R257 VanDerWaalsContact O-CB 3.26Å; A253-R257 WeakPolarHBondContact O-CB 3.42Å; A253-R257 PolarHBondContact O-N 2.79Å; D254-R257 IonicContact OD1-CZ 2.66Å; D254-R257 IonicContact OD1-NE 3.72Å; D254-R257 PolarHBondContact OD1-NE 3.38Å; D254-R257 IonicContact OD1-NH2 3Å; D254-R257 PolarHBondContact OD1-NH2 2.87Å; I255-R257 VanDerWaalsContact C-N 3.35Å; I255-R257 PolarHBondContact O-N 3.24Å; R257-R259 PolarHBondContact O-N 2.9Å; R257-G260 PolarHBondContact O-N 2.91Å; R257-L262 HydrophobicContact CG-CD2 4.06Å; R257-A265 HydrophobicContact CB-CB 4.21Å; R257-Y269 PolarHBondContact NE-OH 3.05Å; R257-C295 WeakPolarHBondContact CD-SG 3.38Å
258S97.4Very high98.2Very high59 Ų5938.2 Ų38.241%0.41320%0.202SC..Hα-helixtrans-64.7-25.3175.4-69.40000113.4D254 I255 H256 G260D254-S258 PolarHBondContact O-N 2.87Å; D254-S258 PolarHBondContact O-OG 3.02Å; D254-S258 VanDerWaalsContact O-OG 3.13Å; I255-S258 WeakPolarHBondContact O-CB 3.34Å; I255-S258 PolarHBondContact O-N 2.8Å; I255-S258 VanDerWaalsContact O-N 3.16Å; H256-S258 VanDerWaalsContact C-N 3.33Å; H256-S258 PolarHBondContact O-N 3.18Å; S258-G260 VanDerWaalsContact C-N 3.31Å
259R97.3Very high98.2Very high123 Ų12338.2 Ų38.246%0.46420%0.202SC..THydrogen-bonded Turntrans-82.5-5.8172.5-64.5179.5-176.6-179.81.4113.4L222 I255 H256 R257 D261L222-R259 HydrophobicContact CD1-CG 3.64Å; L222-R259 PolarHBondContact O-NH2 3.41Å; I255-R259 WeakPolarHBondContact O-CG 3.44Å; I255-R259 PolarHBondContact O-N 3.24Å; H256-R259 CarbonylContact O-C 3.58Å; H256-R259 WeakPolarHBondContact O-CA 3.34Å; H256-R259 WeakPolarHBondContact O-CB 3.3Å; H256-R259 PolarHBondContact O-N 3.15Å; R257-R259 PolarHBondContact O-N 2.9Å; R259-D261 PolarHBondContact O-N 3.36Å
260G96.7Very high98.2Very high55 Ų5541.9 Ų41.957%0.56722%0.222SC*.THydrogen-bonded Turntrans78.54-172.400000114.3H256 R257 S258 L262H256-G260 PolarHBondContact O-N 3.49Å; R257-G260 PolarHBondContact O-N 2.91Å; S258-G260 VanDerWaalsContact C-N 3.31Å; G260-L262 VanDerWaalsContact C-N 3.31Å; G260-L262 PolarHBondContact O-N 3.16Å
261D97.9Very high98.2Very high58 Ų5844.1 Ų44.131%0.3124%0.238SC..  trans-83.476.7178.1179.512.8000109.9H256 R259 E263 T264 A265H256-D261 HydrophobicContact CB-CB 4.37Å; H256-D261 IonicContact CE1-OD2 3.87Å; H256-D261 IonicContact CG-OD2 2.76Å; H256-D261 IonicContact ND1-OD2 3.54Å; H256-D261 PolarHBondContact ND1-OD2 3.31Å; H256-D261 PolarHBondContact O-N 3.22Å; R259-D261 PolarHBondContact O-N 3.36Å; D261-E263 VanDerWaalsContact C-N 3.34Å; D261-T264 PolarHBondContact O-OG1 3.24Å; D261-T264 WeakPolarHBondContact OD1-CG2 3.35Å; D261-T264 PolarHBondContact OD1-N 3.05Å; D261-T264 PolarHBondContact OD1-OG1 3.45Å; D261-T264 WeakPolarHBondContact OD2-CB 3.49Å; D261-T264 WeakPolarHBondContact OD2-CG2 3.48Å; D261-T264 PolarHBondContact OD2-OG1 2.98Å; D261-A265 WeakPolarHBondContact O-CB 3.3Å; D261-A265 PolarHBondContact O-N 3.14Å
262L97.8Very high98.2Very high22 Ų2244.1 Ų44.112%0.11524%0.238CC..Hα-helixtrans-73.5-28.3-175.5-55-176.4000112.3R257 G260 T264 A265 F266 C295 A298 R299R257-L262 HydrophobicContact CG-CD2 4.06Å; G260-L262 VanDerWaalsContact C-N 3.31Å; G260-L262 PolarHBondContact O-N 3.16Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.09Å; L262-A265 PolarHBondContact O-N 2.66Å; L262-F266 HydrophobicContact CB-CE2 4.31Å; L262-F266 WeakPolarHBondContact O-CD2 3.25Å; L262-F266 PolarHBondContact O-N 3.29Å; L262-C295 HydrophobicContact CD2-CB 4.27Å; L262-A298 HydrophobicContact CD1-CB 3.78Å; L262-A298 HydrophobicContact CD2-CB 4.41Å; L262-R299 HydrophobicContact CD1-CG 3.53Å
263E96.8Very high98.2Very high136 Ų13645.1 Ų45.164%0.63624%0.243SC*.Hα-helixtrans-62.8-38.2179.9-60.3-50.5143.300112D261 P267 R299D261-E263 VanDerWaalsContact C-N 3.34Å; E263-P267 WeakPolarHBondContact O-CD 3.36Å; E263-P267 WeakPolarHBondContact O-CG 3.49Å; E263-R299 IonicContact OE1-CZ 3.23Å; E263-R299 IonicContact OE1-NH2 3.78Å; E263-R299 PolarHBondContact OE1-NH2 3.26Å; E263-R299 IonicContact OE2-NH2 3.61Å; E263-R299 PolarHBondContact OE2-NH2 3.16Å
264T97.8Very high98.1Very high48 Ų4848.7 Ų48.729%0.29427%0.268SS..Hα-helixtrans-85-24.1175.364.60000112.8H256 D261 L262 R268H256-T264 WeakPolarHBondContact CB-OG1 3.47Å; H256-T264 PolarHBondContact ND1-OG1 2.86Å; D261-T264 PolarHBondContact O-OG1 3.24Å; D261-T264 WeakPolarHBondContact OD1-CG2 3.35Å; D261-T264 PolarHBondContact OD1-N 3.05Å; D261-T264 PolarHBondContact OD1-OG1 3.45Å; D261-T264 WeakPolarHBondContact OD2-CB 3.49Å; D261-T264 WeakPolarHBondContact OD2-CG2 3.48Å; D261-T264 PolarHBondContact OD2-OG1 2.98Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.09Å; T264-R268 WeakPolarHBondContact O-CG 3.43Å
265A98.4Very high98.1Very high0 Ų048.4 Ų48.40%027%0.267CS..Hα-helixtrans-68.3-45.7-179.900000112.6H256 R257 D261 L262 R268 Y269H256-A265 HydrophobicContact CB-CB 4.12Å; R257-A265 HydrophobicContact CB-CB 4.21Å; D261-A265 WeakPolarHBondContact O-CB 3.3Å; D261-A265 PolarHBondContact O-N 3.14Å; L262-A265 PolarHBondContact O-N 2.66Å; A265-R268 PolarHBondContact O-N 3.35Å; A265-Y269 HydrophobicContact CB-CD2 4.49Å; A265-Y269 HydrophobicContact CB-CE2 4.18Å; A265-Y269 WeakPolarHBondContact O-CD2 3.32Å; A265-Y269 PolarHBondContact O-N 3.03Å
266F98.4Very high98.1Very high21 Ų2148.4 Ų48.49%0.09227%0.267CS..Hα-helixtrans-57.3-54.2-177.3-80.5-72.9000113.3L262 R268 Y269 D270 V292 C295 W296L262-F266 HydrophobicContact CB-CE2 4.31Å; L262-F266 WeakPolarHBondContact O-CD2 3.25Å; L262-F266 PolarHBondContact O-N 3.29Å; F266-R268 PolarHBondContact O-N 3.38Å; F266-R268 VanDerWaalsContact O-N 3.14Å; F266-Y269 PolarHBondContact O-N 3.49Å; F266-D270 PolarHBondContact O-N 3.01Å; F266-V292 HydrophobicContact CD1-CG1 4.26Å; F266-V292 HydrophobicContact CE1-CG1 3.89Å; F266-C295 HydrophobicContact CD1-CB 4.41Å; F266-C295 HydrophobicContact CD2-CB 4.4Å; F266-C295 HydrophobicContact CE1-CB 3.68Å; F266-C295 HydrophobicContact CE2-CB 3.63Å; F266-C295 HydrophobicContact CZ-CB 3.24Å; F266-W296 HydrophobicContact CE1-CD2 4.03Å; F266-W296 AromaticContact CE1-CE2 3.6Å; F266-W296 HydrophobicContact CE1-CG 4.35Å; F266-W296 AromaticContact CE1-CZ2 3.89Å; F266-W296 HydrophobicContact CE1-CZ2 3.89Å; F266-W296 AromaticContact CE1-NE1 3.68Å; F266-W296 AromaticContact CZ-CD2 3.71Å; F266-W296 HydrophobicContact CZ-CD2 3.71Å; F266-W296 AromaticContact CZ-CE2 3.72Å; F266-W296 AromaticContact CZ-CE3 3.97Å; F266-W296 HydrophobicContact CZ-CE3 3.97Å; F266-W296 HydrophobicContact CZ-CG 4.18Å; F266-W296 HydrophobicContact CZ-CH2 4.24Å; F266-W296 HydrophobicContact CZ-CZ2 4Å; F266-W296 HydrophobicContact CZ-CZ3 4.23Å
267P98.5Very high98Very high71 Ų7151.2 Ų51.246%0.46129%0.285SS..Hα-helixtrans-60.2-29.7-179.5-24.334.4000113.5E263 S271E263-P267 WeakPolarHBondContact O-CD 3.36Å; E263-P267 WeakPolarHBondContact O-CG 3.49Å; P267-S271 WeakPolarHBondContact O-CB 3.24Å; P267-S271 PolarHBondContact O-N 3.18Å; P267-S271 PolarHBondContact O-OG 2.89Å
268R98.6Very high98Very high78 Ų7854.5 Ų54.529%0.29430%0.303SS..Hα-helixtrans-73.6-39.7176.6-68.3-179.9-177.9-76.17.8111.9A253 H256 T264 A265 F266 D270 S271 A272A253-R268 HydrophobicContact CB-CB 3.66Å; H256-R268 PolarHBondContact CD2-NE 3.25Å; H256-R268 VanDerWaalsContact CD2-NE 3.31Å; H256-R268 PolarHBondContact NE2-NE 3.15Å; H256-R268 PolarHBondContact NE2-NH2 3.2Å; T264-R268 WeakPolarHBondContact O-CG 3.43Å; A265-R268 PolarHBondContact O-N 3.35Å; F266-R268 PolarHBondContact O-N 3.38Å; F266-R268 VanDerWaalsContact O-N 3.14Å; R268-D270 VanDerWaalsContact C-N 3.33Å; R268-S271 PolarHBondContact O-N 2.85Å; R268-A272 WeakPolarHBondContact O-CB 3.32Å; R268-A272 PolarHBondContact O-N 2.83Å
269Y98.8Very high97.9Very high1 Ų151.9 Ų51.90%0.00428%0.284CS..Hα-helixtrans-61.8-41.6170.1-74.5-60.8000111.8A253 D254 R257 A265 F266 A272 M273 A288 V292A253-Y269 HydrophobicContact CB-CD1 3.62Å; A253-Y269 HydrophobicContact CB-CD2 3.7Å; A253-Y269 HydrophobicContact CB-CE1 3.55Å; A253-Y269 HydrophobicContact CB-CE2 3.61Å; A253-Y269 HydrophobicContact CB-CG 3.68Å; D254-Y269 WeakPolarHBondContact CA-OH 3.49Å; D254-Y269 PolarHBondContact N-OH 3.4Å; D254-Y269 PolarHBondContact OD1-OH 3.04Å; R257-Y269 PolarHBondContact NE-OH 3.05Å; A265-Y269 HydrophobicContact CB-CD2 4.49Å; A265-Y269 HydrophobicContact CB-CE2 4.18Å; A265-Y269 WeakPolarHBondContact O-CD2 3.32Å; A265-Y269 PolarHBondContact O-N 3.03Å; F266-Y269 PolarHBondContact O-N 3.49Å; Y269-A272 PolarHBondContact O-N 3.48Å; Y269-M273 VanDerWaalsContact O-CB 3.29Å; Y269-M273 WeakPolarHBondContact O-CB 3.28Å; Y269-M273 PolarHBondContact O-N 3.37Å; Y269-A288 HydrophobicContact CD1-CB 4.43Å; Y269-V292 HydrophobicContact CD2-CG2 4Å; Y269-V292 HydrophobicContact CG-CG2 3.81Å
270D98.5Very high97.9Very high98 Ų9846.7 Ų46.752%0.52427%0.268SS..Hα-helixtrans-64.4-41.8178.1-70.5-24000111.6F266 R268 M273 S274F266-D270 PolarHBondContact O-N 3.01Å; R268-D270 VanDerWaalsContact C-N 3.33Å; D270-M273 PolarHBondContact O-N 2.9Å; D270-S274 WeakPolarHBondContact O-CB 3.21Å; D270-S274 PolarHBondContact O-N 2.86Å
271S98.6Very high97.9Very high55 Ų5545.5 Ų45.539%0.38525%0.249SC..Hα-helixtrans-63-43.8175.1-59.60000111.5P267 R268 S274 I275P267-S271 WeakPolarHBondContact O-CB 3.24Å; P267-S271 PolarHBondContact O-N 3.18Å; P267-S271 PolarHBondContact O-OG 2.89Å; R268-S271 PolarHBondContact O-N 2.85Å; S271-S274 PolarHBondContact O-N 3.46Å; S271-I275 WeakPolarHBondContact O-CG1 3.26Å; S271-I275 PolarHBondContact O-N 2.97Å
272A98.6Very high97.8Very high0 Ų046.8 Ų46.80%025%0.249CC..Hα-helixtrans-62.4-46174.600000111.4L249 L250 R268 Y269 S274 I275 M276L249-A272 HydrophobicContact CB-CB 3.86Å; L250-A272 HydrophobicContact CB-CB 4.26Å; R268-A272 WeakPolarHBondContact O-CB 3.32Å; R268-A272 PolarHBondContact O-N 2.83Å; Y269-A272 PolarHBondContact O-N 3.48Å; A272-S274 VanDerWaalsContact C-N 3.34Å; A272-S274 PolarHBondContact O-N 3.2Å; A272-I275 PolarHBondContact O-N 3.33Å; A272-M276 WeakPolarHBondContact O-CB 3.45Å; A272-M276 WeakPolarHBondContact O-CG 3.31Å; A272-M276 PolarHBondContact O-N 3.12Å
273M98.4Very high97.8Very high34 Ų3446.8 Ų46.817%0.16725%0.25CC..Hα-helixtrans-57.8-44.3178.4174.958.585.200112Y269 D270 I275 M276 T277 Q285 A288 L289Y269-M273 VanDerWaalsContact O-CB 3.29Å; Y269-M273 WeakPolarHBondContact O-CB 3.28Å; Y269-M273 PolarHBondContact O-N 3.37Å; D270-M273 PolarHBondContact O-N 2.9Å; M273-I275 PolarHBondContact O-N 3.04Å; M273-M276 PolarHBondContact O-N 3.35Å; M273-T277 WeakPolarHBondContact O-CB 3.28Å; M273-T277 PolarHBondContact O-N 3.39Å; M273-T277 PolarHBondContact O-OG1 3.36Å; M273-Q285 HydrophobicContact CE-CB 3.96Å; M273-Q285 WeakPolarHBondContact CE-O 3.37Å; M273-Q285 HydrophobicContact SD-CB 3.76Å; M273-Q285 HydrophobicContact SD-CG 3.66Å; M273-A288 HydrophobicContact CB-CB 4.4Å; M273-A288 HydrophobicContact CE-CB 4.21Å; M273-L289 HydrophobicContact CE-CD1 3.99Å; M273-L289 HydrophobicContact CE-CD2 3.59Å; M273-L289 HydrophobicContact CE-CG 3.4Å; M273-L289 VanDerWaalsContact CE-CG 3.4Å
274S98.5Very high97.9Very high75 Ų7540.4 Ų40.452%0.52422%0.22SC..Hα-helixtrans-57.3-49.8177.4-178.80000111.6D270 S271 A272 T277 E278D270-S274 WeakPolarHBondContact O-CB 3.21Å; D270-S274 PolarHBondContact O-N 2.86Å; S271-S274 PolarHBondContact O-N 3.46Å; A272-S274 VanDerWaalsContact C-N 3.34Å; A272-S274 PolarHBondContact O-N 3.2Å; S274-T277 PolarHBondContact O-N 2.91Å; S274-E278 PolarHBondContact O-N 3.39Å
275I98.3Very high97.9Very high12 Ų1239.3 Ų39.36%0.06221%0.211CC..Hα-helixtrans-67.5-42.1179-55.1176.7000111.3R242 A246 L249 S271 A272 M273 T277 E278 I279R242-I275 HydrophobicContact CB-CG2 4.31Å; A246-I275 HydrophobicContact CB-CB 3.8Å; A246-I275 HydrophobicContact CB-CD1 4.42Å; A246-I275 HydrophobicContact CB-CG2 3.73Å; L249-I275 HydrophobicContact CD1-CD1 3.82Å; S271-I275 WeakPolarHBondContact O-CG1 3.26Å; S271-I275 PolarHBondContact O-N 2.97Å; A272-I275 PolarHBondContact O-N 3.33Å; M273-I275 PolarHBondContact O-N 3.04Å; I275-T277 PolarHBondContact O-N 2.98Å; I275-E278 PolarHBondContact O-N 3.39Å; I275-I279 HydrophobicContact CG2-CG2 4.33Å; I275-I279 WeakPolarHBondContact O-CG1 3.25Å; I275-I279 PolarHBondContact O-N 2.89Å
276M97.9Very high97.9Very high0 Ų039.3 Ų39.30%021%0.212CC..Hα-helixtrans-62.4-32.5178-68.8-62.7-171.500112.2A246 L247 A272 M273 I279 G280 N281 Q285A246-M276 HydrophobicContact CB-CE 3.65Å; A246-M276 HydrophobicContact CB-CG 4.15Å; A246-M276 HydrophobicContact CB-SD 3.93Å; L247-M276 HydrophobicContact CD2-CE 3.75Å; L247-M276 HydrophobicContact CG-CE 4.16Å; A272-M276 WeakPolarHBondContact O-CB 3.45Å; A272-M276 WeakPolarHBondContact O-CG 3.31Å; A272-M276 PolarHBondContact O-N 3.12Å; M273-M276 PolarHBondContact O-N 3.35Å; M276-I279 HydrophobicContact SD-CD1 4.03Å; M276-G280 PolarHBondContact O-N 3.11Å; M276-G280 VanDerWaalsContact O-N 3.12Å; M276-N281 PolarHBondContact O-N 3.37Å; M276-N281 HydrophobicContact SD-CB 3.75Å; M276-N281 PolarHBondContact SD-ND2 3.43Å; M276-Q285 HydrophobicContact CB-CG 3.76Å; M276-Q285 PolarHBondContact O-NE2 3.43Å
277T97.7Very high97.9Very high78 Ų7841.5 Ų41.548%0.47922%0.222SC..Hα-helixtrans-69-47.4173.7-56.60000111.1M273 S274 I275 I279 G280M273-T277 WeakPolarHBondContact O-CB 3.28Å; M273-T277 PolarHBondContact O-N 3.39Å; M273-T277 PolarHBondContact O-OG1 3.36Å; S274-T277 PolarHBondContact O-N 2.91Å; I275-T277 PolarHBondContact O-N 2.98Å; T277-I279 PolarHBondContact O-N 3.39Å; T277-G280 PolarHBondContact O-N 3.13Å
278E97Very high97.9Very high121 Ų12138.2 Ų38.257%0.56520%0.201SC*.Hα-helixtrans-57.5-47.6178.1180-178.7127.300112.4R242 S274 I275 G280R242-E278 IonicContact CZ-OE1 3.81Å; R242-E278 IonicContact CZ-OE2 3.79Å; R242-E278 IonicContact NE-OE1 2.89Å; R242-E278 PolarHBondContact NE-OE1 3.3Å; R242-E278 IonicContact NH2-OE1 3.43Å; R242-E278 PolarHBondContact NH2-OE1 3.45Å; R242-E278 IonicContact NH2-OE2 2.77Å; R242-E278 PolarHBondContact NH2-OE2 3.16Å; S274-E278 PolarHBondContact O-N 3.39Å; I275-E278 PolarHBondContact O-N 3.39Å; E278-G280 VanDerWaalsContact C-N 3.29Å; E278-G280 PolarHBondContact O-N 2.91Å
279I96.4Very high97.9Very high4 Ų435 Ų352%0.02119%0.189CC..Hα-helixtrans-79.4-12.4-178.772.5-176.6000112.7G57 Y59 P243 I275 M276 T277 N281G57-I279 VanDerWaalsContact O-CB 3.31Å; G57-I279 WeakPolarHBondContact O-CB 3.32Å; G57-I279 WeakPolarHBondContact O-CG2 3.42Å; Y59-I279 HydrophobicContact CD2-CB 4.11Å; Y59-I279 HydrophobicContact CD2-CG1 4.38Å; Y59-I279 WeakPolarHBondContact CD2-O 3.4Å; Y59-I279 HydrophobicContact CE2-CB 4Å; Y59-I279 HydrophobicContact CE2-CD1 3.92Å; Y59-I279 HydrophobicContact CE2-CG1 3.98Å; P243-I279 HydrophobicContact CB-CD1 4.18Å; P243-I279 HydrophobicContact CG-CD1 4.26Å; I275-I279 HydrophobicContact CG2-CG2 4.33Å; I275-I279 WeakPolarHBondContact O-CG1 3.25Å; I275-I279 PolarHBondContact O-N 2.89Å; M276-I279 HydrophobicContact SD-CD1 4.03Å; T277-I279 PolarHBondContact O-N 3.39Å; I279-N281 HydrophobicContact CD1-CB 3.86Å; I279-N281 HydrophobicContact CG1-CB 3.77Å
280G95.8Very high97.9Very high13 Ų1335.5 Ų35.513%0.13419%0.192CC..THydrogen-bonded Turntrans76.824.6-178.400000114.7M276 T277 E278 R282M276-G280 PolarHBondContact O-N 3.11Å; M276-G280 VanDerWaalsContact O-N 3.12Å; T277-G280 PolarHBondContact O-N 3.13Å; E278-G280 VanDerWaalsContact C-N 3.29Å; E278-G280 PolarHBondContact O-N 2.91Å; G280-R282 PolarHBondContact O-N 2.95Å
281N96.8Very high97.9Very high30 Ų3031 Ų3116%0.1617%0.169CC..  trans-84.888.4176.6-178.5-13000110.3C97 M276 I279 L283 G284 Q285C97-N281 PolarHBondContact SG-OD1 3.24Å; M276-N281 PolarHBondContact O-N 3.37Å; M276-N281 HydrophobicContact SD-CB 3.75Å; M276-N281 PolarHBondContact SD-ND2 3.43Å; I279-N281 HydrophobicContact CD1-CB 3.86Å; I279-N281 HydrophobicContact CG1-CB 3.77Å; N281-L283 PolarHBondContact O-N 2.9Å; N281-L283 PolarHBondContact OD1-N 2.84Å; N281-G284 PolarHBondContact O-N 3.22Å; N281-G284 PolarHBondContact OD1-N 3.09Å; N281-Q285 WeakPolarHBondContact O-CG 3.46Å; N281-Q285 PolarHBondContact O-N 2.54Å
282R97.4Very high97.9Very high85 Ų8529.1 Ų29.132%0.32116%0.155SC..Hα-helixtrans-62.7-38.3-178.1-67.2-176.8178.4140.3-2113.2C97 E98 G280 G284 Q285 V286 E318 V319C97-R282 HydrophobicContact CB-CB 4.45Å; E98-R282 IonicContact OE1-CZ 3.48Å; E98-R282 IonicContact OE1-NH1 2.76Å; E98-R282 PolarHBondContact OE1-NH1 3.4Å; G280-R282 PolarHBondContact O-N 2.95Å; R282-G284 VanDerWaalsContact C-N 3.32Å; R282-G284 PolarHBondContact O-N 2.73Å; R282-Q285 WeakPolarHBondContact O-CB 3.46Å; R282-Q285 PolarHBondContact O-N 3Å; R282-Q285 VanDerWaalsContact O-N 3.14Å; R282-V286 WeakPolarHBondContact O-CG2 3.38Å; R282-V286 PolarHBondContact O-N 3.35Å; R282-E318 IonicContact NE-OE2 3.58Å; R282-V319 HydrophobicContact CB-CG2 3.48Å; R282-V319 VanDerWaalsContact CB-CG2 3.48Å
283L97.8Very high97.9Very high23 Ų2329.1 Ų29.112%0.1216%0.155CC..Hα-helixtrans-64.3-38.4178.1-176.960.5000111.7C97 F99 N281 Q285 V286 Q287 V319 N321C97-L283 HydrophobicContact CB-CB 4.4Å; C97-L283 VanDerWaalsContact SG-CB 3.55Å; C97-L283 PolarHBondContact SG-N 3.03Å; C97-L283 VanDerWaalsContact SG-N 3.44Å; F99-L283 HydrophobicContact CE2-CD2 4.26Å; F99-L283 HydrophobicContact CZ-CD2 3.99Å; N281-L283 PolarHBondContact O-N 2.9Å; N281-L283 PolarHBondContact OD1-N 2.84Å; L283-Q285 VanDerWaalsContact C-N 3.33Å; L283-Q285 PolarHBondContact O-N 3.27Å; L283-V286 PolarHBondContact O-N 3.09Å; L283-Q287 WeakPolarHBondContact O-CG 3.41Å; L283-Q287 PolarHBondContact O-N 2.81Å; L283-V319 HydrophobicContact CB-CG1 4.46Å; L283-V319 HydrophobicContact CD1-CG1 4.48Å; L283-N321 HydrophobicContact CD1-CB 3.92Å
284G97.7Very high97.9Very high1 Ų130.7 Ų30.71%0.0116%0.161CC..Hα-helixtrans-63.1-36.9173.100000113N281 R282 Q287 A288N281-G284 PolarHBondContact O-N 3.22Å; N281-G284 PolarHBondContact OD1-N 3.09Å; R282-G284 VanDerWaalsContact C-N 3.32Å; R282-G284 PolarHBondContact O-N 2.73Å; G284-Q287 PolarHBondContact O-N 2.99Å; G284-A288 PolarHBondContact O-N 3.25Å
285Q98.6Very high97.9Very high25 Ų2527.1 Ų27.112%0.11714%0.136CC..Hα-helixtrans-63.5-45.1173.9-61.7170.434.900111.3M273 M276 N281 R282 L283 Q287 A288 L289 L315M273-Q285 HydrophobicContact CE-CB 3.96Å; M273-Q285 WeakPolarHBondContact CE-O 3.37Å; M273-Q285 HydrophobicContact SD-CB 3.76Å; M273-Q285 HydrophobicContact SD-CG 3.66Å; M276-Q285 HydrophobicContact CB-CG 3.76Å; M276-Q285 PolarHBondContact O-NE2 3.43Å; N281-Q285 WeakPolarHBondContact O-CG 3.46Å; N281-Q285 PolarHBondContact O-N 2.54Å; R282-Q285 WeakPolarHBondContact O-CB 3.46Å; R282-Q285 PolarHBondContact O-N 3Å; R282-Q285 VanDerWaalsContact O-N 3.14Å; L283-Q285 VanDerWaalsContact C-N 3.33Å; L283-Q285 PolarHBondContact O-N 3.27Å; Q285-Q287 VanDerWaalsContact C-N 3.32Å; Q285-Q287 PolarHBondContact O-N 3.46Å; Q285-A288 PolarHBondContact O-N 3.46Å; Q285-L289 WeakPolarHBondContact O-CG 3Å; Q285-L289 PolarHBondContact O-N 3.06Å; Q285-L315 HydrophobicContact CB-CD1 4.16Å
286V98.6Very high97.9Very high1 Ų128.8 Ų28.81%0.00614%0.141CC..Hα-helixtrans-57.3-45174.8174.90000111R282 L283 A288 L289 L290 L315 A316R282-V286 WeakPolarHBondContact O-CG2 3.38Å; R282-V286 PolarHBondContact O-N 3.35Å; L283-V286 PolarHBondContact O-N 3.09Å; V286-A288 PolarHBondContact O-N 3.18Å; V286-L289 PolarHBondContact O-N 3.34Å; V286-L290 WeakPolarHBondContact O-CB 3.37Å; V286-L290 PolarHBondContact O-N 3.35Å; V286-L315 HydrophobicContact CG2-CB 3.51Å; V286-A316 HydrophobicContact CG1-CB 4.06Å; V286-A316 HydrophobicContact CG2-CB 4.26Å
287Q98.4Very high97.9Very high67 Ų6730.9 Ų30.931%0.31315%0.154SC..Hα-helixtrans-63.5-40.4178.7-68.8175-0.300112.4L250 L283 G284 Q285 L290 G291L250-Q287 HydrophobicContact CD1-CB 3.63Å; L283-Q287 WeakPolarHBondContact O-CG 3.41Å; L283-Q287 PolarHBondContact O-N 2.81Å; G284-Q287 PolarHBondContact O-N 2.99Å; Q285-Q287 VanDerWaalsContact C-N 3.32Å; Q285-Q287 PolarHBondContact O-N 3.46Å; Q287-L290 PolarHBondContact O-N 2.75Å; Q287-G291 PolarHBondContact O-N 3.15Å
288A98.6Very high97.9Very high1 Ų130.2 Ų30.21%0.00816%0.156CC..Hα-helixtrans-64.1-47.2175.800000111.3L250 Y269 M273 G284 Q285 V286 L290 G291 V292L250-A288 HydrophobicContact CD1-CB 4.26Å; Y269-A288 HydrophobicContact CD1-CB 4.43Å; M273-A288 HydrophobicContact CB-CB 4.4Å; M273-A288 HydrophobicContact CE-CB 4.21Å; G284-A288 PolarHBondContact O-N 3.25Å; Q285-A288 PolarHBondContact O-N 3.46Å; V286-A288 PolarHBondContact O-N 3.18Å; A288-L290 VanDerWaalsContact C-N 3.33Å; A288-L290 PolarHBondContact O-N 2.93Å; A288-G291 WeakPolarHBondContact O-CA 3.21Å; A288-G291 PolarHBondContact O-N 3.36Å; A288-G291 VanDerWaalsContact O-N 3.11Å; A288-V292 WeakPolarHBondContact O-CG2 3.38Å; A288-V292 PolarHBondContact O-N 3.3Å
289L98.7Very high97.9Very high10 Ų1028.5 Ų28.55%0.05215%0.145CC..Hα-helixtrans-61.2-41.4176.7-66.9168000111.9M273 Q285 V286 G291 V292 A293 V308 R311 A312 L315M273-L289 HydrophobicContact CE-CD1 3.99Å; M273-L289 HydrophobicContact CE-CD2 3.59Å; M273-L289 HydrophobicContact CE-CG 3.4Å; M273-L289 VanDerWaalsContact CE-CG 3.4Å; Q285-L289 WeakPolarHBondContact O-CG 3Å; Q285-L289 PolarHBondContact O-N 3.06Å; V286-L289 PolarHBondContact O-N 3.34Å; L289-G291 VanDerWaalsContact C-N 3.26Å; L289-G291 PolarHBondContact O-N 3.16Å; L289-V292 PolarHBondContact O-N 3.09Å; L289-A293 WeakPolarHBondContact O-CB 2.84Å; L289-A293 PolarHBondContact O-N 2.75Å; L289-V308 HydrophobicContact CB-CG1 4.06Å; L289-V308 HydrophobicContact CD2-CG1 3.99Å; L289-V308 VanDerWaalsContact O-CG1 3.29Å; L289-V308 WeakPolarHBondContact O-CG1 3.46Å; L289-R311 HydrophobicContact CD1-CB 4.4Å; L289-A312 HydrophobicContact CB-CB 3.65Å; L289-A312 HydrophobicContact CD1-CB 3.92Å; L289-A312 HydrophobicContact CG-CB 4.42Å; L289-L315 HydrophobicContact CD1-CD1 3.82Å
290L98.5Very high97.9Very high13 Ų1337 Ų377%0.06818%0.181CC..Hα-helixtrans-59.5-39.4175.1-173.373000111.7V286 Q287 A288 K294 K327 L328 L331V286-L290 WeakPolarHBondContact O-CB 3.37Å; V286-L290 PolarHBondContact O-N 3.35Å; Q287-L290 PolarHBondContact O-N 2.75Å; A288-L290 VanDerWaalsContact C-N 3.33Å; A288-L290 PolarHBondContact O-N 2.93Å; L290-K294 VanDerWaalsContact O-CG 3.3Å; L290-K294 WeakPolarHBondContact O-CG 3.31Å; L290-K294 PolarHBondContact O-N 2.91Å; L290-K294 VanDerWaalsContact O-N 3.14Å; L290-K327 HydrophobicContact CD1-CB 4.13Å; L290-K327 HydrophobicContact CD2-CB 4.05Å; L290-K327 HydrophobicContact CD2-CD 3.87Å; L290-L328 HydrophobicContact CD1-CD2 3.54Å; L290-L328 HydrophobicContact CD1-CG 3.99Å; L290-L331 HydrophobicContact CD1-CD1 3.33Å; L290-L331 HydrophobicContact CG-CD1 4.31Å
291G98.3Very high98Very high3 Ų337.7 Ų37.73%0.03119%0.186CC..Hα-helixtrans-64.5-46.4174.100000112.8Q287 A288 L289 K294 C295Q287-G291 PolarHBondContact O-N 3.15Å; A288-G291 WeakPolarHBondContact O-CA 3.21Å; A288-G291 PolarHBondContact O-N 3.36Å; A288-G291 VanDerWaalsContact O-N 3.11Å; L289-G291 VanDerWaalsContact C-N 3.26Å; L289-G291 PolarHBondContact O-N 3.16Å; G291-K294 WeakPolarHBondContact O-CB 3.27Å; G291-K294 PolarHBondContact O-N 3.33Å; G291-C295 PolarHBondContact O-N 3.18Å; G291-C295 PolarHBondContact O-SG 3.15Å; G291-C295 VanDerWaalsContact O-SG 3.4Å
292V98.7Very high98Very high15 Ų1538.1 Ų38.19%0.09119%0.188CC..Hα-helixtrans-60.9-45.2175.8171.80000111.4F266 Y269 A288 L289 K294 C295 W296 V308F266-V292 HydrophobicContact CD1-CG1 4.26Å; F266-V292 HydrophobicContact CE1-CG1 3.89Å; Y269-V292 HydrophobicContact CD2-CG2 4Å; Y269-V292 HydrophobicContact CG-CG2 3.81Å; A288-V292 WeakPolarHBondContact O-CG2 3.38Å; A288-V292 PolarHBondContact O-N 3.3Å; L289-V292 PolarHBondContact O-N 3.09Å; V292-K294 VanDerWaalsContact C-N 3.32Å; V292-K294 PolarHBondContact O-N 3.32Å; V292-C295 WeakPolarHBondContact O-CB 3.32Å; V292-C295 PolarHBondContact O-N 3.17Å; V292-C295 VanDerWaalsContact O-N 3.07Å; V292-W296 PolarHBondContact O-N 2.95Å; V292-V308 HydrophobicContact CB-CG1 4.14Å; V292-V308 HydrophobicContact CG1-CG1 3.94Å; V292-V308 HydrophobicContact CG1-CG2 4.09Å
293A98.6Very high98Very high0 Ų038.6 Ų38.60%020%0.197CC..Hα-helixtrans-58-44.9175.700000111.4L289 C295 W296 V297 V308 I309L289-A293 WeakPolarHBondContact O-CB 2.84Å; L289-A293 PolarHBondContact O-N 2.75Å; A293-C295 VanDerWaalsContact C-N 3.3Å; A293-C295 PolarHBondContact O-N 3.39Å; A293-W296 PolarHBondContact O-N 2.87Å; A293-W296 VanDerWaalsContact O-N 3.15Å; A293-V297 WeakPolarHBondContact O-CG2 3.36Å; A293-V297 PolarHBondContact O-N 3.15Å; A293-V308 HydrophobicContact CB-CB 4.39Å; A293-V308 HydrophobicContact CB-CG1 4.01Å; A293-I309 HydrophobicContact CB-CD1 4.34Å; A293-I309 HydrophobicContact CB-CG1 3.73Å
294K98.5Very high98Very high67 Ų6742.8 Ų42.829%0.29121%0.214SC..Hα-helixtrans-61.4-36.4174.6-72.7169.7-178.11760112.6L290 G291 V292 A298 L331L290-K294 VanDerWaalsContact O-CG 3.3Å; L290-K294 WeakPolarHBondContact O-CG 3.31Å; L290-K294 PolarHBondContact O-N 2.91Å; L290-K294 VanDerWaalsContact O-N 3.14Å; G291-K294 WeakPolarHBondContact O-CB 3.27Å; G291-K294 PolarHBondContact O-N 3.33Å; V292-K294 VanDerWaalsContact C-N 3.32Å; V292-K294 PolarHBondContact O-N 3.32Å; K294-A298 WeakPolarHBondContact O-CB 3.47Å; K294-A298 PolarHBondContact O-N 3.23Å; K294-L331 HydrophobicContact CG-CD1 4.1Å; K294-L331 HydrophobicContact CG-CD2 3.97Å
295C98.3Very high98.1Very high0 Ų042.8 Ų42.80%021%0.214CC..Hα-helixtrans-64.4-42.6173.1-66.90000111.9R257 L262 F266 G291 V292 A293 A298 R299R257-C295 WeakPolarHBondContact CD-SG 3.38Å; L262-C295 HydrophobicContact CD2-CB 4.27Å; F266-C295 HydrophobicContact CD1-CB 4.41Å; F266-C295 HydrophobicContact CD2-CB 4.4Å; F266-C295 HydrophobicContact CE1-CB 3.68Å; F266-C295 HydrophobicContact CE2-CB 3.63Å; F266-C295 HydrophobicContact CZ-CB 3.24Å; G291-C295 PolarHBondContact O-N 3.18Å; G291-C295 PolarHBondContact O-SG 3.15Å; G291-C295 VanDerWaalsContact O-SG 3.4Å; V292-C295 WeakPolarHBondContact O-CB 3.32Å; V292-C295 PolarHBondContact O-N 3.17Å; V292-C295 VanDerWaalsContact O-N 3.07Å; A293-C295 VanDerWaalsContact C-N 3.3Å; A293-C295 PolarHBondContact O-N 3.39Å; C295-A298 PolarHBondContact O-N 3.41Å; C295-R299 PolarHBondContact O-N 2.95Å
296W98.4Very high98Very high48 Ų4842.7 Ų42.718%0.18221%0.214CC..Hα-helixtrans-65.7-38.9176.7-71.7126.6000112.9F266 V292 A293 A298 R299 K300 A301 K304 A305F266-W296 HydrophobicContact CE1-CD2 4.03Å; F266-W296 AromaticContact CE1-CE2 3.6Å; F266-W296 HydrophobicContact CE1-CG 4.35Å; F266-W296 AromaticContact CE1-CZ2 3.89Å; F266-W296 HydrophobicContact CE1-CZ2 3.89Å; F266-W296 AromaticContact CE1-NE1 3.68Å; F266-W296 AromaticContact CZ-CD2 3.71Å; F266-W296 HydrophobicContact CZ-CD2 3.71Å; F266-W296 AromaticContact CZ-CE2 3.72Å; F266-W296 AromaticContact CZ-CE3 3.97Å; F266-W296 HydrophobicContact CZ-CE3 3.97Å; F266-W296 HydrophobicContact CZ-CG 4.18Å; F266-W296 HydrophobicContact CZ-CH2 4.24Å; F266-W296 HydrophobicContact CZ-CZ2 4Å; F266-W296 HydrophobicContact CZ-CZ3 4.23Å; V292-W296 PolarHBondContact O-N 2.95Å; A293-W296 PolarHBondContact O-N 2.87Å; A293-W296 VanDerWaalsContact O-N 3.15Å; W296-A298 VanDerWaalsContact C-N 3.34Å; W296-A298 PolarHBondContact O-N 3.4Å; W296-R299 HydrophobicContact CE3-CB 4.48Å; W296-R299 CarbonylContact O-C 3.49Å; W296-R299 PolarHBondContact O-N 3.06Å; W296-K300 PolarHBondContact O-N 3.33Å; W296-K300 VanDerWaalsContact O-N 3.12Å; W296-A301 HydrophobicContact CE3-CB 3.75Å; W296-A301 HydrophobicContact CZ3-CB 4.38Å; W296-A301 PolarHBondContact O-N 3.37Å; W296-K304 HydrophobicContact CB-CB 4.44Å; W296-K304 HydrophobicContact CD2-CB 3.89Å; W296-K304 HydrophobicContact CD2-CD 4.13Å; W296-K304 HydrophobicContact CE3-CB 4.29Å; W296-K304 HydrophobicContact CE3-CD 3.89Å; W296-K304 HydrophobicContact CG-CB 3.96Å; W296-K304 HydrophobicContact CH2-CD 3.81Å; W296-K304 HydrophobicContact CZ2-CD 4.04Å; W296-K304 HydrophobicContact CZ3-CD 3.72Å; W296-A305 HydrophobicContact CB-CB 3.73Å
297V97.7Very high98Very high43 Ų4347.2 Ų47.226%0.26124%0.238SC..Hα-helixtrans-59-45.6170.8172.40000110.7A293 R299 K300 A305 L331 I335A293-V297 WeakPolarHBondContact O-CG2 3.36Å; A293-V297 PolarHBondContact O-N 3.15Å; V297-R299 VanDerWaalsContact C-N 3.29Å; V297-R299 PolarHBondContact O-N 3.43Å; V297-K300 WeakPolarHBondContact O-CA 3.45Å; V297-K300 PolarHBondContact O-N 2.89Å; V297-A305 HydrophobicContact CG2-CB 3.76Å; V297-L331 HydrophobicContact CG2-CD2 4.34Å; V297-I335 HydrophobicContact CG2-CD1 3.81Å; V297-I335 HydrophobicContact CG2-CG1 4.07Å
298A96.9Very high98Very high64 Ų6444.6 Ų44.653%0.52923%0.227SC..Hα-helixtrans-63-33.7177.100000112.9L262 K294 C295 W296 K300L262-A298 HydrophobicContact CD1-CB 3.78Å; L262-A298 HydrophobicContact CD2-CB 4.41Å; K294-A298 WeakPolarHBondContact O-CB 3.47Å; K294-A298 PolarHBondContact O-N 3.23Å; C295-A298 PolarHBondContact O-N 3.41Å; W296-A298 VanDerWaalsContact C-N 3.34Å; W296-A298 PolarHBondContact O-N 3.4Å; A298-K300 PolarHBondContact O-N 3.24Å
299R96.6Very high98Very high86 Ų8644.6 Ų44.633%0.32523%0.227SC..THydrogen-bonded Turntrans-77.2-0171.1-73.1-168.5170.8161.5-3114.3L262 E263 C295 W296 V297 A301L262-R299 HydrophobicContact CD1-CG 3.53Å; E263-R299 IonicContact OE1-CZ 3.23Å; E263-R299 IonicContact OE1-NH2 3.78Å; E263-R299 PolarHBondContact OE1-NH2 3.26Å; E263-R299 IonicContact OE2-NH2 3.61Å; E263-R299 PolarHBondContact OE2-NH2 3.16Å; C295-R299 PolarHBondContact O-N 2.95Å; W296-R299 HydrophobicContact CE3-CB 4.48Å; W296-R299 CarbonylContact O-C 3.49Å; W296-R299 PolarHBondContact O-N 3.06Å; V297-R299 VanDerWaalsContact C-N 3.29Å; V297-R299 PolarHBondContact O-N 3.43Å; R299-A301 PolarHBondContact O-N 3.47Å; R299-A301 VanDerWaalsContact O-N 3.14Å
300K96.4Very high97.9Very high182 Ų18249.9 Ų49.979%0.79125%0.251SS*.THydrogen-bonded Turntrans58.118.5-173.1-53.2-178.4179.4-179.50114.1W296 V297 A298 L302W296-K300 PolarHBondContact O-N 3.33Å; W296-K300 VanDerWaalsContact O-N 3.12Å; V297-K300 WeakPolarHBondContact O-CA 3.45Å; V297-K300 PolarHBondContact O-N 2.89Å; A298-K300 PolarHBondContact O-N 3.24Å; K300-L302 VanDerWaalsContact C-N 3.28Å; K300-L302 PolarHBondContact O-N 2.89Å; K300-L302 VanDerWaalsContact O-N 3.11Å
301A97.8Very high97.9Very high28 Ų2856.5 Ų56.523%0.23128%0.275CS..  trans-87.770.217500000109.2W296 R299 D303 K304 A305W296-A301 HydrophobicContact CE3-CB 3.75Å; W296-A301 HydrophobicContact CZ3-CB 4.38Å; W296-A301 PolarHBondContact O-N 3.37Å; R299-A301 PolarHBondContact O-N 3.47Å; R299-A301 VanDerWaalsContact O-N 3.14Å; A301-D303 VanDerWaalsContact C-N 3.35Å; A301-D303 PolarHBondContact O-N 3.36Å; A301-K304 HydrophobicContact CB-CB 4.35Å; A301-K304 HydrophobicContact CB-CD 4.27Å; A301-K304 HydrophobicContact CB-CG 4.48Å; A301-K304 PolarHBondContact O-N 3.14Å; A301-A305 PolarHBondContact O-N 3.24Å; A301-A305 VanDerWaalsContact O-N 3.1Å
302L98Very high97.9Very high39 Ų3956.3 Ų56.320%0.20427%0.274CS..Hα-helixtrans-64-35.5-167.8-59.3-175.5000113.7K300 A305 L306 I335 S338 K339K300-L302 VanDerWaalsContact C-N 3.28Å; K300-L302 PolarHBondContact O-N 2.89Å; K300-L302 VanDerWaalsContact O-N 3.11Å; L302-A305 WeakPolarHBondContact O-CB 3.5Å; L302-A305 PolarHBondContact O-N 3.24Å; L302-L306 WeakPolarHBondContact O-CG 3.4Å; L302-L306 PolarHBondContact O-N 2.92Å; L302-I335 HydrophobicContact CB-CG2 3.9Å; L302-I335 HydrophobicContact CD1-CG2 4.33Å; L302-I335 HydrophobicContact CD2-CG1 4.3Å; L302-I335 HydrophobicContact CD2-CG2 4.43Å; L302-I335 HydrophobicContact CG-CG2 4.44Å; L302-S338 VanDerWaalsContact CD1-OG 3.25Å; L302-S338 WeakPolarHBondContact CD1-OG 3.26Å; L302-K339 HydrophobicContact CB-CD 4.43Å; L302-K339 HydrophobicContact CD1-CD 4.45Å; L302-K339 HydrophobicContact CD1-CG 4Å
303D97.6Very high97.8Very high94 Ų9456.6 Ų56.650%0.50327%0.274SS..Hα-helixtrans-65.8-45.6178.1-63.4-51.6000111.5A301 A305 L306 D307 K339A301-D303 VanDerWaalsContact C-N 3.35Å; A301-D303 PolarHBondContact O-N 3.36Å; D303-A305 PolarHBondContact O-N 3.4Å; D303-L306 PolarHBondContact O-N 3.43Å; D303-L306 VanDerWaalsContact O-N 3.07Å; D303-D307 PolarHBondContact O-N 3.09Å; D303-K339 IonicContact OD1-NZ 2.58Å; D303-K339 PolarHBondContact OD1-NZ 3.37Å; D303-K339 IonicContact OD2-NZ 3.38Å; D303-K339 PolarHBondContact OD2-NZ 2.88Å
304K97.9Very high97.7Very high112 Ų11260.8 Ų60.849%0.48730%0.296SS..Hα-helixtrans-60.7-33.8173.2-63.8-174.1179-177.10112.5W296 A301 V308W296-K304 HydrophobicContact CB-CB 4.44Å; W296-K304 HydrophobicContact CD2-CB 3.89Å; W296-K304 HydrophobicContact CD2-CD 4.13Å; W296-K304 HydrophobicContact CE3-CB 4.29Å; W296-K304 HydrophobicContact CE3-CD 3.89Å; W296-K304 HydrophobicContact CG-CB 3.96Å; W296-K304 HydrophobicContact CH2-CD 3.81Å; W296-K304 HydrophobicContact CZ2-CD 4.04Å; W296-K304 HydrophobicContact CZ3-CD 3.72Å; A301-K304 HydrophobicContact CB-CB 4.35Å; A301-K304 HydrophobicContact CB-CD 4.27Å; A301-K304 HydrophobicContact CB-CG 4.48Å; A301-K304 PolarHBondContact O-N 3.14Å; K304-V308 VanDerWaalsContact O-CG2 3.31Å; K304-V308 WeakPolarHBondContact O-CG2 3.42Å; K304-V308 PolarHBondContact O-N 3.43Å
305A98.3Very high97.6Very high0 Ų059.1 Ų59.10%029%0.29CS..Hα-helixtrans-66.4-43.1175.500000111.3W296 V297 A301 L302 D303 V308 I309 I335W296-A305 HydrophobicContact CB-CB 3.73Å; V297-A305 HydrophobicContact CG2-CB 3.76Å; A301-A305 PolarHBondContact O-N 3.24Å; A301-A305 VanDerWaalsContact O-N 3.1Å; L302-A305 WeakPolarHBondContact O-CB 3.5Å; L302-A305 PolarHBondContact O-N 3.24Å; D303-A305 PolarHBondContact O-N 3.4Å; A305-V308 PolarHBondContact O-N 3.45Å; A305-I309 WeakPolarHBondContact O-CB 3.48Å; A305-I309 WeakPolarHBondContact O-CD1 3.49Å; A305-I309 WeakPolarHBondContact O-CG1 3.34Å; A305-I309 PolarHBondContact O-N 3.1Å; A305-I335 HydrophobicContact CB-CD1 3.84Å
306L98.2Very high97.6Very high23 Ų2359.1 Ų59.112%0.1229%0.29CS..Hα-helixtrans-63.1-44.5177.1-70.4171.7000111.9L302 D303 V308 I309 E310 I335 Y336L302-L306 WeakPolarHBondContact O-CG 3.4Å; L302-L306 PolarHBondContact O-N 2.92Å; D303-L306 PolarHBondContact O-N 3.43Å; D303-L306 VanDerWaalsContact O-N 3.07Å; L306-V308 VanDerWaalsContact C-N 3.27Å; L306-V308 PolarHBondContact O-N 3.24Å; L306-I309 WeakPolarHBondContact O-CB 3.35Å; L306-I309 PolarHBondContact O-N 2.93Å; L306-I309 VanDerWaalsContact O-N 3.07Å; L306-E310 PolarHBondContact O-N 2.93Å; L306-I335 HydrophobicContact CD1-CG2 3.87Å; L306-I335 HydrophobicContact CD2-CB 4.21Å; L306-I335 HydrophobicContact CD2-CD1 4Å; L306-I335 HydrophobicContact CD2-CG2 3.92Å; L306-I335 HydrophobicContact CG-CD1 4.28Å; L306-I335 HydrophobicContact CG-CG2 3.85Å; L306-Y336 HydrophobicContact CD1-CE1 3.86Å; L306-Y336 HydrophobicContact CD2-CE1 4.26Å; L306-Y336 HydrophobicContact CD2-CE2 3.95Å
307D98.1Very high97.5Very high97 Ų9761.7 Ų61.752%0.51930%0.304SS..Hα-helixtrans-57.6-40.4176.9-61.1-20.4000112.1D303 R311D303-D307 PolarHBondContact O-N 3.09Å; D307-R311 WeakPolarHBondContact O-CG 3.49Å; D307-R311 PolarHBondContact O-N 3.2Å
308V98.4Very high97.4Very high12 Ų1265.5 Ų65.57%0.07332%0.319CS..Hα-helixtrans-73.4-35.9177.8174.50000111.4L289 V292 A293 K304 A305 L306 A312L289-V308 HydrophobicContact CB-CG1 4.06Å; L289-V308 HydrophobicContact CD2-CG1 3.99Å; L289-V308 VanDerWaalsContact O-CG1 3.29Å; L289-V308 WeakPolarHBondContact O-CG1 3.46Å; V292-V308 HydrophobicContact CB-CG1 4.14Å; V292-V308 HydrophobicContact CG1-CG1 3.94Å; V292-V308 HydrophobicContact CG1-CG2 4.09Å; A293-V308 HydrophobicContact CB-CB 4.39Å; A293-V308 HydrophobicContact CB-CG1 4.01Å; K304-V308 VanDerWaalsContact O-CG2 3.31Å; K304-V308 WeakPolarHBondContact O-CG2 3.42Å; K304-V308 PolarHBondContact O-N 3.43Å; A305-V308 PolarHBondContact O-N 3.45Å; L306-V308 VanDerWaalsContact C-N 3.27Å; L306-V308 PolarHBondContact O-N 3.24Å; V308-A312 WeakPolarHBondContact O-CB 3.28Å; V308-A312 PolarHBondContact O-N 2.96Å; V308-A312 VanDerWaalsContact O-N 3.12Å
309I98.4Very high97.4Very high1 Ų162.7 Ų62.71%0.00530%0.296CS..Hα-helixtrans-64.2-45.7177-75.3164000110.7A293 A305 L306 R311 A312 Q313 L328 L331 S332 I335A293-I309 HydrophobicContact CB-CD1 4.34Å; A293-I309 HydrophobicContact CB-CG1 3.73Å; A305-I309 WeakPolarHBondContact O-CB 3.48Å; A305-I309 WeakPolarHBondContact O-CD1 3.49Å; A305-I309 WeakPolarHBondContact O-CG1 3.34Å; A305-I309 PolarHBondContact O-N 3.1Å; L306-I309 WeakPolarHBondContact O-CB 3.35Å; L306-I309 PolarHBondContact O-N 2.93Å; L306-I309 VanDerWaalsContact O-N 3.07Å; I309-R311 PolarHBondContact O-N 3.31Å; I309-A312 CarbonylContact O-C 3.55Å; I309-A312 WeakPolarHBondContact O-CA 3.03Å; I309-A312 WeakPolarHBondContact O-CB 3.48Å; I309-A312 PolarHBondContact O-N 3.22Å; I309-Q313 HydrophobicContact CG2-CG 4.17Å; I309-Q313 WeakPolarHBondContact O-CG 3.31Å; I309-Q313 PolarHBondContact O-N 3.04Å; I309-L328 HydrophobicContact CB-CD2 4.41Å; I309-L328 HydrophobicContact CG1-CD2 4.24Å; I309-L328 HydrophobicContact CG2-CB 4.33Å; I309-L328 HydrophobicContact CG2-CD2 4.11Å; I309-L331 HydrophobicContact CD1-CB 3.89Å; I309-S332 WeakPolarHBondContact CG2-OG 3.18Å; I309-I335 HydrophobicContact CD1-CD1 3.55Å
310E97.4Very high97.4Very high121 Ų12159.3 Ų59.357%0.56529%0.288SS*.Hα-helixtrans-56.3-50.5179.3-174.7174.5-160.800110.9L306 A312 Q313 D314L306-E310 PolarHBondContact O-N 2.93Å; E310-A312 PolarHBondContact O-N 3.5Å; E310-Q313 WeakPolarHBondContact O-CB 3.44Å; E310-Q313 PolarHBondContact O-N 2.89Å; E310-D314 PolarHBondContact O-N 3.17Å; E310-D314 VanDerWaalsContact O-N 3.14Å
311R97.6Very high97.5Very high151 Ų15150.8 Ų50.857%0.5725%0.251SS*.Hα-helixtrans-58.1-35174.9-66.9169.259.1-165.1-1.8113.5L289 D307 I309L289-R311 HydrophobicContact CD1-CB 4.4Å; D307-R311 WeakPolarHBondContact O-CG 3.49Å; D307-R311 PolarHBondContact O-N 3.2Å; I309-R311 PolarHBondContact O-N 3.31Å
312A98.1Very high97.4Very high0 Ų052.2 Ų52.20%025%0.252CS..Hα-helixtrans-75.6-30177.900000112.2L289 V308 I309 E310 A316 L328L289-A312 HydrophobicContact CB-CB 3.65Å; L289-A312 HydrophobicContact CD1-CB 3.92Å; L289-A312 HydrophobicContact CG-CB 4.42Å; V308-A312 WeakPolarHBondContact O-CB 3.28Å; V308-A312 PolarHBondContact O-N 2.96Å; V308-A312 VanDerWaalsContact O-N 3.12Å; I309-A312 CarbonylContact O-C 3.55Å; I309-A312 WeakPolarHBondContact O-CA 3.03Å; I309-A312 WeakPolarHBondContact O-CB 3.48Å; I309-A312 PolarHBondContact O-N 3.22Å; E310-A312 PolarHBondContact O-N 3.5Å; A312-A316 VanDerWaalsContact O-CB 3.23Å; A312-A316 WeakPolarHBondContact O-CB 3.18Å; A312-A316 PolarHBondContact O-N 2.97Å; A312-L328 HydrophobicContact CB-CD1 3.82Å; A312-L328 HydrophobicContact CB-CD2 3.61Å; A312-L328 HydrophobicContact CB-CG 4.39Å; A312-L328 WeakPolarHBondContact O-CD1 3.45Å
313Q97Very high97.3Very high20 Ų2051 Ų519%0.09325%0.245CC..Hα-helixtrans-67.6-48.2177.1-73.8177.9-58.600110.4I309 E310 L315 A316 E317 L328 H329 H348I309-Q313 HydrophobicContact CG2-CG 4.17Å; I309-Q313 WeakPolarHBondContact O-CG 3.31Å; I309-Q313 PolarHBondContact O-N 3.04Å; E310-Q313 WeakPolarHBondContact O-CB 3.44Å; E310-Q313 PolarHBondContact O-N 2.89Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 2.89Å; Q313-A316 CarbonylContact O-C 3.56Å; Q313-A316 PolarHBondContact O-N 3.3Å; Q313-E317 WeakPolarHBondContact O-CG 3.41Å; Q313-E317 PolarHBondContact O-N 3.06Å; Q313-L328 HydrophobicContact CB-CD1 4.44Å; Q313-L328 HydrophobicContact CG-CB 3.88Å; Q313-L328 HydrophobicContact CG-CD1 3.8Å; Q313-L328 HydrophobicContact CG-CG 4.35Å; Q313-H329 PolarHBondContact NE2-CE1 3.06Å; Q313-H329 PolarHBondContact NE2-ND1 3.18Å; Q313-H348 PolarHBondContact NE2-CE1 3.47Å
314D96.5Very high97.2Very high88 Ų8846.9 Ų46.947%0.47122%0.224SC..Hα-helixtrans-53.7-49.9177.1-63.4-23.8000111.2E310 A316 E317 E318E310-D314 PolarHBondContact O-N 3.17Å; E310-D314 VanDerWaalsContact O-N 3.14Å; D314-A316 PolarHBondContact O-N 3.01Å; D314-E317 PolarHBondContact O-N 3.38Å; D314-E318 WeakPolarHBondContact O-CG 3.37Å; D314-E318 PolarHBondContact O-N 3.45Å
315L97.1Very high97.2Very high32 Ų3242.2 Ų42.217%0.16820%0.204CC..Hα-helixtrans-65.5-36.3177.4-74.9172.8000113.1Q285 V286 L289 Q313 E317 V319Q285-L315 HydrophobicContact CB-CD1 4.16Å; V286-L315 HydrophobicContact CG2-CB 3.51Å; L289-L315 HydrophobicContact CD1-CD1 3.82Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 2.89Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-V319 WeakPolarHBondContact O-CB 3.43Å; L315-V319 VanDerWaalsContact O-CG2 3.26Å; L315-V319 WeakPolarHBondContact O-CG2 3.45Å; L315-V319 PolarHBondContact O-N 3.09Å; L315-V319 VanDerWaalsContact O-N 3.08Å
316A97.5Very high97Very high0 Ų043.6 Ų43.60%021%0.211CC..Hα-helixtrans-70.4-31.9177.800000112.1V286 A312 Q313 D314 G320 N321 Q325 L328V286-A316 HydrophobicContact CG1-CB 4.06Å; V286-A316 HydrophobicContact CG2-CB 4.26Å; A312-A316 VanDerWaalsContact O-CB 3.23Å; A312-A316 WeakPolarHBondContact O-CB 3.18Å; A312-A316 PolarHBondContact O-N 2.97Å; Q313-A316 CarbonylContact O-C 3.56Å; Q313-A316 PolarHBondContact O-N 3.3Å; D314-A316 PolarHBondContact O-N 3.01Å; A316-G320 PolarHBondContact O-N 3.43Å; A316-N321 PolarHBondContact O-N 3.32Å; A316-N321 VanDerWaalsContact O-N 3.09Å; A316-Q325 HydrophobicContact CB-CG 3.87Å; A316-Q325 PolarHBondContact O-NE2 2.98Å; A316-L328 HydrophobicContact CB-CD1 4.08Å
317E96.2Very high96.9Very high102 Ų10246 Ų4648%0.47722%0.221SC..Hα-helixtrans-68.9-47.1171.8-73.2-179-168.400111.2Q313 D314 L315 V319 G320Q313-E317 WeakPolarHBondContact O-CG 3.41Å; Q313-E317 PolarHBondContact O-N 3.06Å; D314-E317 PolarHBondContact O-N 3.38Å; L315-E317 VanDerWaalsContact C-N 3.34Å; E317-V319 VanDerWaalsContact C-N 3.28Å; E317-V319 PolarHBondContact O-N 2.77Å; E317-G320 PolarHBondContact O-N 2.87Å
318E96.1Very high96.9Very high123 Ų12341.4 Ų41.458%0.57520%0.196SC*.Hα-helixtrans-56.5-40.9174.8-74.9-177.1-172.700112.9R282 D314R282-E318 IonicContact NE-OE2 3.58Å; D314-E318 WeakPolarHBondContact O-CG 3.37Å; D314-E318 PolarHBondContact O-N 3.45Å
319V97.2Very high96.8Very high6 Ų641 Ų414%0.03619%0.193CC..Hα-helixtrans-76.9-23.9178.3174.10000112.1C97 F99 R282 L283 L315 E317 N321C97-V319 HydrophobicContact CB-CG1 4.14Å; C97-V319 HydrophobicContact CB-CG2 4.25Å; F99-V319 HydrophobicContact CD2-CG1 3.91Å; F99-V319 HydrophobicContact CE2-CG1 3.48Å; F99-V319 VanDerWaalsContact CE2-CG1 3.48Å; R282-V319 HydrophobicContact CB-CG2 3.48Å; R282-V319 VanDerWaalsContact CB-CG2 3.48Å; L283-V319 HydrophobicContact CB-CG1 4.46Å; L283-V319 HydrophobicContact CD1-CG1 4.48Å; L315-V319 WeakPolarHBondContact O-CB 3.43Å; L315-V319 VanDerWaalsContact O-CG2 3.26Å; L315-V319 WeakPolarHBondContact O-CG2 3.45Å; L315-V319 PolarHBondContact O-N 3.09Å; L315-V319 VanDerWaalsContact O-N 3.08Å; E317-V319 VanDerWaalsContact C-N 3.28Å; E317-V319 PolarHBondContact O-N 2.77Å; V319-N321 VanDerWaalsContact C-N 3.34Å; V319-N321 HydrophobicContact CG1-CB 4.03Å
320G96.6Very high96.6Very high15 Ų1543.9 Ų43.916%0.15521%0.213CC..THydrogen-bonded Turntrans7223-171.700000114A316 E317 K322A316-G320 PolarHBondContact O-N 3.43Å; E317-G320 PolarHBondContact O-N 2.87Å; G320-K322 PolarHBondContact O-N 2.88Å
321N97.4Very high96.6Very high3 Ų339.4 Ų39.42%0.01619%0.193CC..  trans-83.595.4-179.1-175.3-91.5000111.6G135 S137 L283 A316 V319 L323 S324 Q325G135-N321 WeakPolarHBondContact O-CB 3.45Å; G135-N321 PolarHBondContact O-ND2 2.82Å; S137-N321 PolarHBondContact OG-ND2 3.19Å; L283-N321 HydrophobicContact CD1-CB 3.92Å; A316-N321 PolarHBondContact O-N 3.32Å; A316-N321 VanDerWaalsContact O-N 3.09Å; V319-N321 VanDerWaalsContact C-N 3.34Å; V319-N321 HydrophobicContact CG1-CB 4.03Å; N321-L323 PolarHBondContact O-N 3.48Å; N321-S324 PolarHBondContact O-N 2.93Å; N321-S324 WeakPolarHBondContact OD1-CA 3.09Å; N321-S324 WeakPolarHBondContact OD1-CB 3.39Å; N321-S324 PolarHBondContact OD1-N 3.42Å; N321-S324 PolarHBondContact OD1-OG 3.3Å; N321-Q325 PolarHBondContact O-N 2.91Å
322K96.1Very high96.6Very high57 Ų5732.2 Ų32.225%0.24817%0.166CC..Hα-helixtrans-63.5-34.4-176.1-56.9-55.9-170147.60114.2G320 S324 Q325 L326 E358 T359G320-K322 PolarHBondContact O-N 2.88Å; K322-S324 VanDerWaalsContact C-N 3.34Å; K322-S324 PolarHBondContact O-N 3.33Å; K322-Q325 PolarHBondContact O-N 2.97Å; K322-L326 WeakPolarHBondContact O-CB 3.29Å; K322-L326 PolarHBondContact O-N 3.46Å; K322-E358 WeakPolarHBondContact CD-OE2 3.47Å; K322-E358 WeakPolarHBondContact CE-OE2 3.41Å; K322-E358 IonicContact NZ-OE1 2.63Å; K322-E358 PolarHBondContact NZ-OE1 3.19Å; K322-E358 IonicContact NZ-OE2 3Å; K322-E358 PolarHBondContact NZ-OE2 2.94Å; K322-T359 HydrophobicContact CB-CG2 3.96Å
323L95.5Very high96.5Very high14 Ų1433.7 Ų33.77%0.07317%0.172CC..Hα-helixtrans-64.5-36.6176.4-177.364.6000112.6S137 F139 Q175 N321 K327S137-L323 WeakPolarHBondContact OG-CB 3.49Å; S137-L323 PolarHBondContact OG-N 3.12Å; F139-L323 HydrophobicContact CZ-CB 4.4Å; F139-L323 HydrophobicContact CZ-CD2 4.14Å; Q175-L323 HydrophobicContact CB-CD2 3.8Å; Q175-L323 HydrophobicContact CG-CD2 3.91Å; N321-L323 PolarHBondContact O-N 3.48Å; L323-K327 HydrophobicContact CG-CD 4.36Å; L323-K327 VanDerWaalsContact O-CG 3.28Å; L323-K327 WeakPolarHBondContact O-CG 3.45Å; L323-K327 PolarHBondContact O-N 3.41Å
324S96.6Very high96.5Very high7 Ų735.9 Ų35.95%0.04919%0.19CC..Hα-helixtrans-72.4-41.6176.6-620000111N321 K322 L326 K327 L328N321-S324 PolarHBondContact O-N 2.93Å; N321-S324 WeakPolarHBondContact OD1-CA 3.09Å; N321-S324 WeakPolarHBondContact OD1-CB 3.39Å; N321-S324 PolarHBondContact OD1-N 3.42Å; N321-S324 PolarHBondContact OD1-OG 3.3Å; K322-S324 VanDerWaalsContact C-N 3.34Å; K322-S324 PolarHBondContact O-N 3.33Å; S324-L326 VanDerWaalsContact C-N 3.32Å; S324-L326 PolarHBondContact O-N 3.1Å; S324-K327 PolarHBondContact O-N 3.35Å; S324-L328 WeakPolarHBondContact O-CB 3.36Å; S324-L328 VanDerWaalsContact O-CG 3.24Å; S324-L328 WeakPolarHBondContact O-CG 3.47Å; S324-L328 PolarHBondContact O-N 3.01Å
325Q96.4Very high96.5Very high15 Ų1531.8 Ų31.87%0.0717%0.168CC..Hα-helixtrans-54.9-49.7172.1-65.7172.717.400110.5A316 N321 K322 K327 L328 H329A316-Q325 HydrophobicContact CB-CG 3.87Å; A316-Q325 PolarHBondContact O-NE2 2.98Å; N321-Q325 PolarHBondContact O-N 2.91Å; K322-Q325 PolarHBondContact O-N 2.97Å; Q325-K327 PolarHBondContact O-N 3.22Å; Q325-L328 PolarHBondContact O-N 3.45Å; Q325-L328 VanDerWaalsContact O-N 3.11Å; Q325-H329 PolarHBondContact O-CD2 3.34Å; Q325-H329 PolarHBondContact O-N 2.98Å
326L94.7Very high96.5Very high29 Ų2932.2 Ų32.215%0.15217%0.168CC..Hα-helixtrans-54.6-47.7175.4-174.9153.5000112.4K322 S324 L328 H329 C330 F352 C355 V356K322-L326 WeakPolarHBondContact O-CB 3.29Å; K322-L326 PolarHBondContact O-N 3.46Å; S324-L326 VanDerWaalsContact C-N 3.32Å; S324-L326 PolarHBondContact O-N 3.1Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-L328 PolarHBondContact O-N 3.47Å; L326-H329 PolarHBondContact O-N 3.13Å; L326-C330 WeakPolarHBondContact O-CB 3.41Å; L326-C330 PolarHBondContact O-N 2.84Å; L326-F352 HydrophobicContact CD1-CE2 4.43Å; L326-F352 HydrophobicContact CD2-CD2 4.33Å; L326-F352 HydrophobicContact CD2-CE2 3.67Å; L326-F352 HydrophobicContact CD2-CZ 4.45Å; L326-F352 HydrophobicContact CG-CD2 3.95Å; L326-F352 HydrophobicContact CG-CE2 3.69Å; L326-F352 HydrophobicContact CG-CZ 4.49Å; L326-C355 HydrophobicContact CB-CB 3.92Å; L326-C355 HydrophobicContact CD1-CB 4.28Å; L326-C355 HydrophobicContact CG-CB 4.42Å; L326-V356 HydrophobicContact CD1-CB 4.45Å; L326-V356 HydrophobicContact CD1-CG2 3.57Å; L326-V356 HydrophobicContact CG-CG2 4.44Å
327K95.8Very high96.5Very high73 Ų7338.7 Ų38.732%0.31719%0.192SC..Hα-helixtrans-63.2-37.8178.1-73.8167.9-178.31700112.4L290 L323 S324 Q325 L331L290-K327 HydrophobicContact CD1-CB 4.13Å; L290-K327 HydrophobicContact CD2-CB 4.05Å; L290-K327 HydrophobicContact CD2-CD 3.87Å; L323-K327 HydrophobicContact CG-CD 4.36Å; L323-K327 VanDerWaalsContact O-CG 3.28Å; L323-K327 WeakPolarHBondContact O-CG 3.45Å; L323-K327 PolarHBondContact O-N 3.41Å; S324-K327 PolarHBondContact O-N 3.35Å; Q325-K327 PolarHBondContact O-N 3.22Å; K327-L331 PolarHBondContact O-N 3.37Å; K327-L331 VanDerWaalsContact O-N 3.11Å
328L97.8Very high96.5Very high0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-70.4-42.8178-69.7164.8000111.4L290 I309 A312 Q313 A316 S324 Q325 L326 L331 S332L290-L328 HydrophobicContact CD1-CD2 3.54Å; L290-L328 HydrophobicContact CD1-CG 3.99Å; I309-L328 HydrophobicContact CB-CD2 4.41Å; I309-L328 HydrophobicContact CG1-CD2 4.24Å; I309-L328 HydrophobicContact CG2-CB 4.33Å; I309-L328 HydrophobicContact CG2-CD2 4.11Å; A312-L328 HydrophobicContact CB-CD1 3.82Å; A312-L328 HydrophobicContact CB-CD2 3.61Å; A312-L328 HydrophobicContact CB-CG 4.39Å; A312-L328 WeakPolarHBondContact O-CD1 3.45Å; Q313-L328 HydrophobicContact CB-CD1 4.44Å; Q313-L328 HydrophobicContact CG-CB 3.88Å; Q313-L328 HydrophobicContact CG-CD1 3.8Å; Q313-L328 HydrophobicContact CG-CG 4.35Å; A316-L328 HydrophobicContact CB-CD1 4.08Å; S324-L328 WeakPolarHBondContact O-CB 3.36Å; S324-L328 VanDerWaalsContact O-CG 3.24Å; S324-L328 WeakPolarHBondContact O-CG 3.47Å; S324-L328 PolarHBondContact O-N 3.01Å; Q325-L328 PolarHBondContact O-N 3.45Å; Q325-L328 VanDerWaalsContact O-N 3.11Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-L328 PolarHBondContact O-N 3.47Å; L328-L331 PolarHBondContact O-N 3.31Å; L328-S332 WeakPolarHBondContact O-CB 3.44Å; L328-S332 PolarHBondContact O-N 2.5Å; L328-S332 PolarHBondContact O-OG 3.42Å
329H96.8Very high96.5Very high4 Ų435.5 Ų35.52%0.01918%0.184CC..Hα-helixtrans-62.2-43173.6-68.8-56.2000111.7Q313 Q325 L326 L331 S332 E333 H348 R351 F352Q313-H329 PolarHBondContact NE2-CE1 3.06Å; Q313-H329 PolarHBondContact NE2-ND1 3.18Å; Q325-H329 PolarHBondContact O-CD2 3.34Å; Q325-H329 PolarHBondContact O-N 2.98Å; L326-H329 PolarHBondContact O-N 3.13Å; H329-L331 VanDerWaalsContact C-N 3.34Å; H329-L331 PolarHBondContact O-N 2.98Å; H329-S332 PolarHBondContact O-N 3.06Å; H329-E333 VanDerWaalsContact O-CB 3.3Å; H329-E333 WeakPolarHBondContact O-CB 3.48Å; H329-E333 PolarHBondContact O-N 2.91Å; H329-H348 AromaticContact ND1-CE1 3.85Å; H329-H348 AromaticContact ND1-CG 3.93Å; H329-H348 AromaticContact ND1-ND1 3.1Å; H329-H348 PolarHBondContact ND1-ND1 3.43Å; H329-R351 WeakPolarHBondContact CE1-CD 3.32Å; H329-F352 HydrophobicContact CB-CB 4.01Å
330C94.8Very high96.4Very high62 Ų6237.5 Ų37.542%0.41921%0.206SC..Hα-helixtrans-59.3-42.2175.2178.50000112.8L326 S334 F352L326-C330 WeakPolarHBondContact O-CB 3.41Å; L326-C330 PolarHBondContact O-N 2.84Å; C330-S334 PolarHBondContact O-N 3.03Å; C330-S334 VanDerWaalsContact O-N 3.17Å; C330-F352 HydrophobicContact CB-CD2 4.18Å; C330-F352 HydrophobicContact CB-CE2 4.04Å
331L97Very high96.3Very high26 Ų2639.9 Ų39.914%0.13622%0.215CC..Hα-helixtrans-65.4-46.6175.5-82.6157.5000111.6L290 K294 V297 I309 K327 L328 H329 E333 S334 I335L290-L331 HydrophobicContact CD1-CD1 3.33Å; L290-L331 HydrophobicContact CG-CD1 4.31Å; K294-L331 HydrophobicContact CG-CD1 4.1Å; K294-L331 HydrophobicContact CG-CD2 3.97Å; V297-L331 HydrophobicContact CG2-CD2 4.34Å; I309-L331 HydrophobicContact CD1-CB 3.89Å; K327-L331 PolarHBondContact O-N 3.37Å; K327-L331 VanDerWaalsContact O-N 3.11Å; L328-L331 PolarHBondContact O-N 3.31Å; H329-L331 VanDerWaalsContact C-N 3.34Å; H329-L331 PolarHBondContact O-N 2.98Å; L331-E333 VanDerWaalsContact C-N 3.34Å; L331-E333 PolarHBondContact O-N 3.5Å; L331-S334 WeakPolarHBondContact O-CB 3.42Å; L331-S334 PolarHBondContact O-N 3.02Å; L331-I335 VanDerWaalsContact O-CG1 3.3Å; L331-I335 WeakPolarHBondContact O-CG1 3.46Å; L331-I335 PolarHBondContact O-N 3.19Å
332S97.7Very high96.2Very high1 Ų144.8 Ų44.81%0.00724%0.238CC..Hα-helixtrans-59.5-45.3178.3-52.60000111.5I309 L328 H329 S334 I335 Y336 H348I309-S332 WeakPolarHBondContact CG2-OG 3.18Å; L328-S332 WeakPolarHBondContact O-CB 3.44Å; L328-S332 PolarHBondContact O-N 2.5Å; L328-S332 PolarHBondContact O-OG 3.42Å; H329-S332 PolarHBondContact O-N 3.06Å; S332-S334 VanDerWaalsContact C-N 3.34Å; S332-S334 PolarHBondContact O-N 3.31Å; S332-I335 PolarHBondContact O-N 3.33Å; S332-I335 VanDerWaalsContact O-N 3.1Å; S332-Y336 WeakPolarHBondContact O-CD2 3.48Å; S332-Y336 PolarHBondContact O-N 3.08Å; S332-H348 WeakPolarHBondContact CB-CE1 3.37Å; S332-H348 WeakPolarHBondContact CB-ND1 3.43Å; S332-H348 PolarHBondContact OG-CE1 2.9Å; S332-H348 VanDerWaalsContact OG-CE1 3.28Å; S332-H348 PolarHBondContact OG-ND1 2.93Å
333E96.2Very high96.2Very high30 Ų3052 Ų5214%0.1426%0.264CS..Hα-helixtrans-56-48.7176.7-174.9-159.8122.200110.9H329 L331 I335 Y336 R337 L345 V349H329-E333 VanDerWaalsContact O-CB 3.3Å; H329-E333 WeakPolarHBondContact O-CB 3.48Å; H329-E333 PolarHBondContact O-N 2.91Å; L331-E333 VanDerWaalsContact C-N 3.34Å; L331-E333 PolarHBondContact O-N 3.5Å; E333-I335 VanDerWaalsContact C-N 3.28Å; E333-I335 PolarHBondContact O-N 3.06Å; E333-Y336 PolarHBondContact O-N 3.18Å; E333-R337 WeakPolarHBondContact O-CB 3.37Å; E333-R337 PolarHBondContact O-N 3.41Å; E333-R337 IonicContact OE1-CZ 3.14Å; E333-R337 IonicContact OE1-NH1 3.7Å; E333-R337 PolarHBondContact OE1-NH1 3.45Å; E333-R337 IonicContact OE1-NH2 2.65Å; E333-R337 PolarHBondContact OE1-NH2 3.07Å; E333-L345 HydrophobicContact CB-CD1 4.16Å; E333-L345 HydrophobicContact CG-CD1 3.32Å; E333-L345 WeakPolarHBondContact O-CD1 3.4Å; E333-V349 HydrophobicContact CG-CG2 3.85Å
334S95.9Very high96.2Very high66 Ų6654.8 Ų54.846%0.46228%0.276SS..Hα-helixtrans-59.2-40.5176.6-174.70000112C330 L331 S332 S338C330-S334 PolarHBondContact O-N 3.03Å; C330-S334 VanDerWaalsContact O-N 3.17Å; L331-S334 WeakPolarHBondContact O-CB 3.42Å; L331-S334 PolarHBondContact O-N 3.02Å; S332-S334 VanDerWaalsContact C-N 3.34Å; S332-S334 PolarHBondContact O-N 3.31Å; S334-S338 PolarHBondContact O-N 3.43Å
335I97.5Very high96.2Very high3 Ų355.1 Ų55.12%0.01528%0.278CS..Hα-helixtrans-69-52.3179.4-65165.3000110.6V297 L302 A305 L306 I309 L331 S332 E333 R337 S338 K339V297-I335 HydrophobicContact CG2-CD1 3.81Å; V297-I335 HydrophobicContact CG2-CG1 4.07Å; L302-I335 HydrophobicContact CB-CG2 3.9Å; L302-I335 HydrophobicContact CD1-CG2 4.33Å; L302-I335 HydrophobicContact CD2-CG1 4.3Å; L302-I335 HydrophobicContact CD2-CG2 4.43Å; L302-I335 HydrophobicContact CG-CG2 4.44Å; A305-I335 HydrophobicContact CB-CD1 3.84Å; L306-I335 HydrophobicContact CD1-CG2 3.87Å; L306-I335 HydrophobicContact CD2-CB 4.21Å; L306-I335 HydrophobicContact CD2-CD1 4Å; L306-I335 HydrophobicContact CD2-CG2 3.92Å; L306-I335 HydrophobicContact CG-CD1 4.28Å; L306-I335 HydrophobicContact CG-CG2 3.85Å; I309-I335 HydrophobicContact CD1-CD1 3.55Å; L331-I335 VanDerWaalsContact O-CG1 3.3Å; L331-I335 WeakPolarHBondContact O-CG1 3.46Å; L331-I335 PolarHBondContact O-N 3.19Å; S332-I335 PolarHBondContact O-N 3.33Å; S332-I335 VanDerWaalsContact O-N 3.1Å; E333-I335 VanDerWaalsContact C-N 3.28Å; E333-I335 PolarHBondContact O-N 3.06Å; I335-R337 VanDerWaalsContact C-N 3.3Å; I335-R337 PolarHBondContact O-N 3.32Å; I335-S338 WeakPolarHBondContact O-CA 3.47Å; I335-S338 WeakPolarHBondContact O-CB 3.41Å; I335-S338 PolarHBondContact O-N 3.4Å; I335-S338 PolarHBondContact O-OG 3.17Å; I335-K339 HydrophobicContact CG2-CD 4.15Å; I335-K339 PolarHBondContact O-N 3.07Å
336Y97.6Very high96.1Very high40 Ų4063 Ų6316%0.15731%0.307CS..Hα-helixtrans-63.8-35.8-179.1-71.1-56.1000112.6L306 S332 E333 S338 K339 G340 L341 E344 H348L306-Y336 HydrophobicContact CD1-CE1 3.86Å; L306-Y336 HydrophobicContact CD2-CE1 4.26Å; L306-Y336 HydrophobicContact CD2-CE2 3.95Å; S332-Y336 WeakPolarHBondContact O-CD2 3.48Å; S332-Y336 PolarHBondContact O-N 3.08Å; E333-Y336 PolarHBondContact O-N 3.18Å; Y336-S338 VanDerWaalsContact C-N 3.33Å; Y336-S338 PolarHBondContact O-N 3.4Å; Y336-K339 PolarHBondContact O-N 3.33Å; Y336-G340 PolarHBondContact O-N 2.91Å; Y336-L341 HydrophobicContact CD1-CB 3.85Å; Y336-L341 HydrophobicContact CD1-CD1 3.78Å; Y336-L341 HydrophobicContact CD1-CG 4.45Å; Y336-L341 HydrophobicContact CE1-CD1 4.05Å; Y336-L341 PolarHBondContact O-N 3.06Å; Y336-E344 HydrophobicContact CD1-CB 3.64Å; Y336-E344 HydrophobicContact CD1-CG 4.27Å; Y336-E344 HydrophobicContact CD2-CB 3.86Å; Y336-E344 HydrophobicContact CE1-CB 3.65Å; Y336-E344 HydrophobicContact CE1-CG 3.92Å; Y336-E344 HydrophobicContact CE2-CB 3.88Å; Y336-E344 HydrophobicContact CG-CB 3.75Å; Y336-H348 AromaticContact CD2-CD2 3.92Å; Y336-H348 AromaticContact CE2-CD2 3.57Å; Y336-H348 AromaticContact CE2-NE2 3.52Å
337R96.4Very high96.1Very high137 Ų13763.8 Ų63.852%0.51732%0.318SS..Hα-helixtrans-58.1-45.9170.3-177.8179.2-70.6124.50.2111.1E333 I335 K339 G340 L345E333-R337 WeakPolarHBondContact O-CB 3.37Å; E333-R337 PolarHBondContact O-N 3.41Å; E333-R337 IonicContact OE1-CZ 3.14Å; E333-R337 IonicContact OE1-NH1 3.7Å; E333-R337 PolarHBondContact OE1-NH1 3.45Å; E333-R337 IonicContact OE1-NH2 2.65Å; E333-R337 PolarHBondContact OE1-NH2 3.07Å; I335-R337 VanDerWaalsContact C-N 3.3Å; I335-R337 PolarHBondContact O-N 3.32Å; R337-K339 VanDerWaalsContact C-N 3.32Å; R337-K339 PolarHBondContact O-N 3.28Å; R337-G340 PolarHBondContact O-N 3.27Å; R337-L345 HydrophobicContact CB-CD1 4.2Å; R337-L345 HydrophobicContact CB-CD2 4.34Å
338S95.5Very high96.1Very high77 Ų7761.3 Ų61.354%0.53831%0.307SS..Hα-helixtrans-67.5-29.8178.575.10000113.7L302 S334 I335 Y336L302-S338 VanDerWaalsContact CD1-OG 3.25Å; L302-S338 WeakPolarHBondContact CD1-OG 3.26Å; S334-S338 PolarHBondContact O-N 3.43Å; I335-S338 WeakPolarHBondContact O-CA 3.47Å; I335-S338 WeakPolarHBondContact O-CB 3.41Å; I335-S338 PolarHBondContact O-N 3.4Å; I335-S338 PolarHBondContact O-OG 3.17Å; Y336-S338 VanDerWaalsContact C-N 3.33Å; Y336-S338 PolarHBondContact O-N 3.4Å
339K96.3Very high95.9Very high80 Ų8063.2 Ų63.235%0.34832%0.319SS..Hα-helixtrans-84.9-7.3176.7-65.7-173.367.5129.60113.8L302 D303 I335 Y336 R337 L341L302-K339 HydrophobicContact CB-CD 4.43Å; L302-K339 HydrophobicContact CD1-CD 4.45Å; L302-K339 HydrophobicContact CD1-CG 4Å; D303-K339 IonicContact OD1-NZ 2.58Å; D303-K339 PolarHBondContact OD1-NZ 3.37Å; D303-K339 IonicContact OD2-NZ 3.38Å; D303-K339 PolarHBondContact OD2-NZ 2.88Å; I335-K339 HydrophobicContact CG2-CD 4.15Å; I335-K339 PolarHBondContact O-N 3.07Å; Y336-K339 PolarHBondContact O-N 3.33Å; R337-K339 VanDerWaalsContact C-N 3.32Å; R337-K339 PolarHBondContact O-N 3.28Å; K339-L341 VanDerWaalsContact C-N 3.25Å; K339-L341 HydrophobicContact CB-CD1 3.98Å; K339-L341 HydrophobicContact CB-CG 3.96Å; K339-L341 HydrophobicContact CD-CD1 4.29Å; K339-L341 PolarHBondContact O-N 3.24Å
340G95.2Very high95.8Very high48 Ų4867 Ų6750%0.49534%0.342SS..THydrogen-bonded Turntrans71.415.9-175.800000114.6Y336 R337 Q342Y336-G340 PolarHBondContact O-N 2.91Å; R337-G340 PolarHBondContact O-N 3.27Å; G340-Q342 PolarHBondContact O-N 3.18Å; G340-Q342 VanDerWaalsContact O-N 3.13Å
341L95.9Very high95.8Very high66 Ų6669.2 Ų69.235%0.34634%0.342SS..  trans-85.782.9-176.2-69.8177.5000110.7Y336 K339 R343 E344 L345Y336-L341 HydrophobicContact CD1-CB 3.85Å; Y336-L341 HydrophobicContact CD1-CD1 3.78Å; Y336-L341 HydrophobicContact CD1-CG 4.45Å; Y336-L341 HydrophobicContact CE1-CD1 4.05Å; Y336-L341 PolarHBondContact O-N 3.06Å; K339-L341 VanDerWaalsContact C-N 3.25Å; K339-L341 HydrophobicContact CB-CD1 3.98Å; K339-L341 HydrophobicContact CB-CG 3.96Å; K339-L341 HydrophobicContact CD-CD1 4.29Å; K339-L341 PolarHBondContact O-N 3.24Å; L341-R343 PolarHBondContact O-N 3.18Å; L341-E344 WeakPolarHBondContact CB-OE2 3.37Å; L341-L345 VanDerWaalsContact O-CB 3.24Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 PolarHBondContact O-N 3.39Å
342Q95.2Very high95.5Very high106 Ų10669.8 Ų69.850%0.49534%0.343SS..Hα-helixtrans-66.6-30.9-169.5-69.2-64.3-26.700114.4G340 R346G340-Q342 PolarHBondContact O-N 3.18Å; G340-Q342 VanDerWaalsContact O-N 3.13Å; Q342-R346 VanDerWaalsContact O-CG 3.29Å; Q342-R346 WeakPolarHBondContact O-CG 3.46Å; Q342-R346 PolarHBondContact O-N 2.88Å; Q342-R346 VanDerWaalsContact O-N 3.11Å
343R95.6Very high95.2Very high209 Ų20974.6 Ų74.679%0.78937%0.365SS*.Hα-helixtrans-70.2-50.1-177.2-178.7-177.2179.4178.4-0.8110.7L341 R346 A347L341-R343 PolarHBondContact O-N 3.18Å; R343-R346 PolarHBondContact O-N 3.28Å; R343-A347 PolarHBondContact O-N 3.39Å
344E95.6Very high95Very high71 Ų7178 Ų7833%0.33238%0.381SS..Hα-helixtrans-65-43.3178.2-6373.1-164.900110Y336 L341 R346 A347 H348Y336-E344 HydrophobicContact CD1-CB 3.64Å; Y336-E344 HydrophobicContact CD1-CG 4.27Å; Y336-E344 HydrophobicContact CD2-CB 3.86Å; Y336-E344 HydrophobicContact CE1-CB 3.65Å; Y336-E344 HydrophobicContact CE1-CG 3.92Å; Y336-E344 HydrophobicContact CE2-CB 3.88Å; Y336-E344 HydrophobicContact CG-CB 3.75Å; L341-E344 WeakPolarHBondContact CB-OE2 3.37Å; E344-R346 VanDerWaalsContact C-N 3.35Å; E344-R346 PolarHBondContact O-N 3.38Å; E344-A347 PolarHBondContact O-N 3.42Å; E344-A347 VanDerWaalsContact O-N 3.16Å; E344-H348 PolarHBondContact O-CD2 3.32Å; E344-H348 PolarHBondContact O-N 3.08Å
345L95.7Very high94.7Very high15 Ų1575.1 Ų75.18%0.07936%0.361CS..Hα-helixtrans-51.9-52.3173.3175.862.6000111.6E333 R337 L341 A347 H348 V349E333-L345 HydrophobicContact CB-CD1 4.16Å; E333-L345 HydrophobicContact CG-CD1 3.32Å; E333-L345 WeakPolarHBondContact O-CD1 3.4Å; R337-L345 HydrophobicContact CB-CD1 4.2Å; R337-L345 HydrophobicContact CB-CD2 4.34Å; L341-L345 VanDerWaalsContact O-CB 3.24Å; L341-L345 WeakPolarHBondContact O-CB 3.47Å; L341-L345 PolarHBondContact O-N 3.39Å; L345-A347 VanDerWaalsContact C-N 3.32Å; L345-A347 PolarHBondContact O-N 3.14Å; L345-H348 PolarHBondContact O-N 3Å; L345-V349 HydrophobicContact CD1-CG2 4.21Å; L345-V349 HydrophobicContact CG-CG2 4.5Å; L345-V349 VanDerWaalsContact O-CG2 3.31Å; L345-V349 WeakPolarHBondContact O-CG2 3.35Å; L345-V349 PolarHBondContact O-N 3.05Å
346R95.3Very high94.2Very high179 Ų17976.8 Ų76.868%0.67537%0.371SS*.Hα-helixtrans-60.1-41.1179.6-73.9176.8-169.2-163.43.4112.3Q342 R343 E344 H348 V349 V350Q342-R346 VanDerWaalsContact O-CG 3.29Å; Q342-R346 WeakPolarHBondContact O-CG 3.46Å; Q342-R346 PolarHBondContact O-N 2.88Å; Q342-R346 VanDerWaalsContact O-N 3.11Å; R343-R346 PolarHBondContact O-N 3.28Å; E344-R346 VanDerWaalsContact C-N 3.35Å; E344-R346 PolarHBondContact O-N 3.38Å; R346-H348 PolarHBondContact O-N 2.87Å; R346-V349 PolarHBondContact O-N 3.3Å; R346-V350 WeakPolarHBondContact O-CG2 3.5Å; R346-V350 PolarHBondContact O-N 3.46Å; R346-V350 VanDerWaalsContact O-N 3.1Å
347A94.9Very high93.8Very high47 Ų4781.9 Ų81.939%0.38840%0.396SS..Hα-helixtrans-61.5-43.7177.700000112.1R343 E344 L345 V350 R351R343-A347 PolarHBondContact O-N 3.39Å; E344-A347 PolarHBondContact O-N 3.42Å; E344-A347 VanDerWaalsContact O-N 3.16Å; L345-A347 VanDerWaalsContact C-N 3.32Å; L345-A347 PolarHBondContact O-N 3.14Å; A347-V350 PolarHBondContact O-N 3.17Å; A347-R351 PolarHBondContact O-N 3.06Å
348H94.8Very high93.5Very high20 Ų2080.2 Ų80.29%0.09339%0.394CS..Hα-helixtrans-71.5-31.7177.7-78.4-98.2000113.2Q313 H329 S332 Y336 E344 L345 R346 F352Q313-H348 PolarHBondContact NE2-CE1 3.47Å; H329-H348 AromaticContact ND1-CE1 3.85Å; H329-H348 AromaticContact ND1-CG 3.93Å; H329-H348 AromaticContact ND1-ND1 3.1Å; H329-H348 PolarHBondContact ND1-ND1 3.43Å; S332-H348 WeakPolarHBondContact CB-CE1 3.37Å; S332-H348 WeakPolarHBondContact CB-ND1 3.43Å; S332-H348 PolarHBondContact OG-CE1 2.9Å; S332-H348 VanDerWaalsContact OG-CE1 3.28Å; S332-H348 PolarHBondContact OG-ND1 2.93Å; Y336-H348 AromaticContact CD2-CD2 3.92Å; Y336-H348 AromaticContact CE2-CD2 3.57Å; Y336-H348 AromaticContact CE2-NE2 3.52Å; E344-H348 PolarHBondContact O-CD2 3.32Å; E344-H348 PolarHBondContact O-N 3.08Å; L345-H348 PolarHBondContact O-N 3Å; R346-H348 PolarHBondContact O-N 2.87Å; H348-F352 VanDerWaalsContact O-CB 3.26Å; H348-F352 WeakPolarHBondContact O-CB 3.34Å; H348-F352 PolarHBondContact O-N 3.33Å
349V94.3Very high93.2Very high41 Ų4177 Ų7725%0.24837%0.371CS..Hα-helixtrans-63.9-43.9174169.10000111.3E333 L345 R346 F352 H353E333-V349 HydrophobicContact CG-CG2 3.85Å; L345-V349 HydrophobicContact CD1-CG2 4.21Å; L345-V349 HydrophobicContact CG-CG2 4.5Å; L345-V349 VanDerWaalsContact O-CG2 3.31Å; L345-V349 WeakPolarHBondContact O-CG2 3.35Å; L345-V349 PolarHBondContact O-N 3.05Å; R346-V349 PolarHBondContact O-N 3.3Å; V349-F352 WeakPolarHBondContact O-CB 3.34Å; V349-F352 PolarHBondContact O-N 3.2Å; V349-H353 PolarHBondContact O-CD2 3.17Å; V349-H353 PolarHBondContact O-N 2.89Å
350V95Very high92.7Very high82 Ų8278.8 Ų78.850%0.49738%0.381SS..Hα-helixtrans-60.8-51.7177.5174.20000110.4R346 A347 F352 H353 E354R346-V350 WeakPolarHBondContact O-CG2 3.5Å; R346-V350 PolarHBondContact O-N 3.46Å; R346-V350 VanDerWaalsContact O-N 3.1Å; A347-V350 PolarHBondContact O-N 3.17Å; V350-F352 VanDerWaalsContact C-N 3.27Å; V350-F352 PolarHBondContact O-N 3.26Å; V350-H353 PolarHBondContact O-N 3Å; V350-H353 VanDerWaalsContact O-N 3.09Å; V350-E354 HydrophobicContact CG1-CG 4.5Å; V350-E354 WeakPolarHBondContact O-CG 3.25Å; V350-E354 PolarHBondContact O-N 2.83Å
351R93.7Very high92.3Very high110 Ų11077.3 Ų77.342%0.41536%0.361SS..Hα-helixtrans-62.1-34.4178.6-66.3-174.3-168.4175.39.5113.1H329 A347 C355H329-R351 WeakPolarHBondContact CE1-CD 3.32Å; A347-R351 PolarHBondContact O-N 3.06Å; R351-C355 PolarHBondContact O-N 3.35Å; R351-C355 PolarHBondContact O-SG 3.44Å
352F92.4Very high92Very high37 Ų3779.4 Ų79.416%0.16237%0.366CS..Hα-helixtrans-60.1-48.4173.2174.4-91000111.1L326 H329 C330 H348 V349 V350 C355 V356L326-F352 HydrophobicContact CD1-CE2 4.43Å; L326-F352 HydrophobicContact CD2-CD2 4.33Å; L326-F352 HydrophobicContact CD2-CE2 3.67Å; L326-F352 HydrophobicContact CD2-CZ 4.45Å; L326-F352 HydrophobicContact CG-CD2 3.95Å; L326-F352 HydrophobicContact CG-CE2 3.69Å; L326-F352 HydrophobicContact CG-CZ 4.49Å; H329-F352 HydrophobicContact CB-CB 4.01Å; C330-F352 HydrophobicContact CB-CD2 4.18Å; C330-F352 HydrophobicContact CB-CE2 4.04Å; H348-F352 VanDerWaalsContact O-CB 3.26Å; H348-F352 WeakPolarHBondContact O-CB 3.34Å; H348-F352 PolarHBondContact O-N 3.33Å; V349-F352 WeakPolarHBondContact O-CB 3.34Å; V349-F352 PolarHBondContact O-N 3.2Å; V350-F352 VanDerWaalsContact C-N 3.27Å; V350-F352 PolarHBondContact O-N 3.26Å; F352-C355 PolarHBondContact O-N 3.02Å; F352-V356 HydrophobicContact CD1-CG2 4.09Å; F352-V356 HydrophobicContact CE1-CG2 3.64Å; F352-V356 HydrophobicContact CE2-CG2 4.43Å; F352-V356 HydrophobicContact CZ-CG2 3.83Å; F352-V356 WeakPolarHBondContact O-CG2 3.33Å; F352-V356 PolarHBondContact O-N 3.43Å
353H90.6Very high91.7Very high102 Ų10274.4 Ų74.447%0.47234%0.342SS..Hα-helixtrans-64.6-41.5178.4-76.2-63.5000112.6V349 V350 C355 V356 E357V349-H353 PolarHBondContact O-CD2 3.17Å; V349-H353 PolarHBondContact O-N 2.89Å; V350-H353 PolarHBondContact O-N 3Å; V350-H353 VanDerWaalsContact O-N 3.09Å; H353-C355 VanDerWaalsContact C-N 3.32Å; H353-C355 PolarHBondContact O-N 3.33Å; H353-V356 WeakPolarHBondContact O-CB 3.34Å; H353-V356 PolarHBondContact O-N 2.76Å; H353-V356 VanDerWaalsContact O-N 3.13Å; H353-E357 WeakPolarHBondContact O-CG 3.49Å; H353-E357 PolarHBondContact O-N 2.9Å
354E91.4Very high91.3Very high102 Ų10265.9 Ų65.948%0.47732%0.32SS..Hα-helixtrans-56.3-46.2173.2-69.6170169.600111.1V350 V356 E357 E358V350-E354 HydrophobicContact CG1-CG 4.5Å; V350-E354 WeakPolarHBondContact O-CG 3.25Å; V350-E354 PolarHBondContact O-N 2.83Å; E354-V356 PolarHBondContact O-N 2.9Å; E354-E357 PolarHBondContact O-N 3.3Å; E354-E358 WeakPolarHBondContact O-CG 3.47Å; E354-E358 PolarHBondContact O-N 3.34Å
355C90.4Very high91Very high6 Ų664.6 Ų64.64%0.04132%0.315CS..Hα-helixtrans-63.8-38.9176.3-67.20000112.5L326 R351 F352 H353 E358 T359L326-C355 HydrophobicContact CB-CB 3.92Å; L326-C355 HydrophobicContact CD1-CB 4.28Å; L326-C355 HydrophobicContact CG-CB 4.42Å; R351-C355 PolarHBondContact O-N 3.35Å; R351-C355 PolarHBondContact O-SG 3.44Å; F352-C355 PolarHBondContact O-N 3.02Å; H353-C355 VanDerWaalsContact C-N 3.32Å; H353-C355 PolarHBondContact O-N 3.33Å; C355-E358 PolarHBondContact O-N 3Å; C355-T359 VanDerWaalsContact O-CG2 3.26Å; C355-T359 WeakPolarHBondContact O-CG2 3.23Å; C355-T359 PolarHBondContact O-N 2.96Å; C355-T359 VanDerWaalsContact O-N 3.07Å; C355-T359 PolarHBondContact O-OG1 3.3Å
356V87.6Confident90.7Very high37 Ų3766.5 Ų66.522%0.22433%0.329CS..Hα-helixtrans-61.1-47.4177.2169.30000110.1L326 F352 H353 E354 T359 E360L326-V356 HydrophobicContact CD1-CB 4.45Å; L326-V356 HydrophobicContact CD1-CG2 3.57Å; L326-V356 HydrophobicContact CG-CG2 4.44Å; F352-V356 HydrophobicContact CD1-CG2 4.09Å; F352-V356 HydrophobicContact CE1-CG2 3.64Å; F352-V356 HydrophobicContact CE2-CG2 4.43Å; F352-V356 HydrophobicContact CZ-CG2 3.83Å; F352-V356 WeakPolarHBondContact O-CG2 3.33Å; F352-V356 PolarHBondContact O-N 3.43Å; H353-V356 WeakPolarHBondContact O-CB 3.34Å; H353-V356 PolarHBondContact O-N 2.76Å; H353-V356 VanDerWaalsContact O-N 3.13Å; E354-V356 PolarHBondContact O-N 2.9Å; V356-T359 PolarHBondContact O-N 3.37Å; V356-T359 PolarHBondContact O-OG1 2.89Å; V356-E360 PolarHBondContact O-N 3.44Å
357E87.8Confident90.4Very high147 Ų14760.8 Ų60.869%0.68733%0.326SS*.Hα-helixtrans-59.7-47.4178.1-71.1179.8-179.700111.6H353 E354 T359 E360H353-E357 WeakPolarHBondContact O-CG 3.49Å; H353-E357 PolarHBondContact O-N 2.9Å; E354-E357 PolarHBondContact O-N 3.3Å; E357-T359 VanDerWaalsContact C-N 3.3Å; E357-T359 PolarHBondContact O-N 3.04Å; E357-E360 WeakPolarHBondContact O-CG 3.36Å; E357-E360 PolarHBondContact O-N 2.9Å; E357-E360 VanDerWaalsContact O-N 3.15Å
358E89.7Confident90.1Very high103 Ų10362.7 Ų62.748%0.48133%0.327SS..Hα-helixtrans-64.7-29.3179.7-72.3178.416000114.1K322 E354 C355 E360K322-E358 WeakPolarHBondContact CD-OE2 3.47Å; K322-E358 WeakPolarHBondContact CE-OE2 3.41Å; K322-E358 IonicContact NZ-OE1 2.63Å; K322-E358 PolarHBondContact NZ-OE1 3.19Å; K322-E358 IonicContact NZ-OE2 3Å; K322-E358 PolarHBondContact NZ-OE2 2.94Å; E354-E358 WeakPolarHBondContact O-CG 3.47Å; E354-E358 PolarHBondContact O-N 3.34Å; C355-E358 PolarHBondContact O-N 3Å; E358-E360 VanDerWaalsContact C-N 3.28Å
359T89.1Confident89.9Confident9 Ų963.3 Ų63.36%0.05533%0.333CS..Hα-helixtrans-77.6-14.9177.459.20000113.5F139 K322 C355 V356 E357 L361F139-T359 HydrophobicContact CE2-CG2 4.23Å; K322-T359 HydrophobicContact CB-CG2 3.96Å; C355-T359 VanDerWaalsContact O-CG2 3.26Å; C355-T359 WeakPolarHBondContact O-CG2 3.23Å; C355-T359 PolarHBondContact O-N 2.96Å; C355-T359 VanDerWaalsContact O-N 3.07Å; C355-T359 PolarHBondContact O-OG1 3.3Å; V356-T359 PolarHBondContact O-N 3.37Å; V356-T359 PolarHBondContact O-OG1 2.89Å; E357-T359 VanDerWaalsContact C-N 3.3Å; E357-T359 PolarHBondContact O-N 3.04Å; T359-L361 PolarHBondContact O-N 3.17Å
360E87.3Confident89.7Confident118 Ų11861.6 Ų61.655%0.55132%0.323SS*.THydrogen-bonded Turntrans49.428.2-179.5-60.9-178.8167.400113.8V356 E357 E358 Y362V356-E360 PolarHBondContact O-N 3.44Å; E357-E360 WeakPolarHBondContact O-CG 3.36Å; E357-E360 PolarHBondContact O-N 2.9Å; E357-E360 VanDerWaalsContact O-N 3.15Å; E358-E360 VanDerWaalsContact C-N 3.28Å; E360-Y362 VanDerWaalsContact C-N 3.29Å; E360-Y362 HydrophobicContact CB-CE1 4.17Å; E360-Y362 PolarHBondContact O-N 2.92Å
361L85.1Confident89.3Confident16 Ų1658.6 Ų58.68%0.08431%0.308CS..  trans-83.171.8-179.2-76.6-178.7000110.6F139 V176 T359 S369 I370F139-L361 HydrophobicContact CB-CD2 4.03Å; F139-L361 HydrophobicContact CD2-CD1 3.73Å; F139-L361 HydrophobicContact CD2-CD2 3.45Å; F139-L361 VanDerWaalsContact CD2-CD2 3.45Å; F139-L361 HydrophobicContact CD2-CG 3.51Å; F139-L361 HydrophobicContact CE2-CD1 3.4Å; F139-L361 VanDerWaalsContact CE2-CD1 3.4Å; F139-L361 HydrophobicContact CE2-CD2 4.04Å; F139-L361 HydrophobicContact CE2-CG 3.73Å; F139-L361 HydrophobicContact CG-CD2 3.75Å; F139-L361 HydrophobicContact CG-CG 4.32Å; F139-L361 HydrophobicContact CZ-CD1 4.01Å; V176-L361 HydrophobicContact CG1-CD2 3.91Å; T359-L361 PolarHBondContact O-N 3.17Å; L361-S369 CarbonylContact O-C 3.59Å; L361-S369 WeakPolarHBondContact O-CA 3.38Å; L361-I370 HydrophobicContact CB-CB 4.2Å; L361-I370 WeakPolarHBondContact CB-O 3.27Å; L361-I370 HydrophobicContact CD2-CB 4.36Å; L361-I370 HydrophobicContact CD2-CG2 4.17Å; L361-I370 PolarHBondContact O-N 3.3Å
362Y89.9Confident89Confident111 Ų11158.5 Ų58.544%0.43531%0.312SS..BIsolated β-bridgetrans-136.8145.9172.259.5-89.1000111.4E360 G364 E368E360-Y362 VanDerWaalsContact C-N 3.29Å; E360-Y362 HydrophobicContact CB-CE1 4.17Å; E360-Y362 PolarHBondContact O-N 2.92Å; Y362-G364 PolarHBondContact O-N 3.45Å; Y362-E368 WeakPolarHBondContact CA-O 3.3Å
363C89.6Confident88.9Confident0 Ų064.2 Ų64.20%034%0.337CS..  trans-80109.7175.7179.10000109.1L365 C366 G367 E368 I370 H387C363-L365 PolarHBondContact O-N 2.93Å; C363-C366 VanDerWaalsContact CB-SG 3.54Å; C363-C366 PolarHBondContact O-N 3.49Å; C363-G367 WeakPolarHBondContact O-CA 3.41Å; C363-G367 PolarHBondContact O-N 3.07Å; C363-E368 PolarHBondContact N-O 3.05Å; C363-I370 HydrophobicContact CB-CD1 4.29Å; C363-I370 HydrophobicContact CB-CG1 4.33Å; C363-H387 WeakPolarHBondContact CB-ND1 3.37Å
364G87Confident89.2Confident31 Ų3163.1 Ų63.132%0.3234%0.335SS..THydrogen-bonded Turntrans-64.81.4-179.900000116.2Y362 N401Y362-G364 PolarHBondContact O-N 3.45Å; G364-N401 WeakPolarHBondContact CA-OD1 3.43Å
365L88.6Confident89.3Confident44 Ų4460 Ų6023%0.2332%0.324CS..THydrogen-bonded Turntrans-99.8-40.3174.1-72174000113.6C363 F386 C390 L391 N394 T396 P400C363-L365 PolarHBondContact O-N 2.93Å; L365-F386 HydrophobicContact CB-CD1 4.43Å; L365-F386 HydrophobicContact CD1-CD1 3.98Å; L365-F386 HydrophobicContact CD1-CG 4.46Å; L365-F386 HydrophobicContact CG-CD1 3.86Å; L365-F386 HydrophobicContact CG-CE1 4.18Å; L365-C390 HydrophobicContact CB-CB 3.76Å; L365-C390 HydrophobicContact CD1-CB 3.68Å; L365-C390 HydrophobicContact CG-CB 4.38Å; L365-L391 HydrophobicContact CD1-CD2 3.81Å; L365-L391 HydrophobicContact CD1-CG 4.36Å; L365-N394 HydrophobicContact CD2-CB 4.45Å; L365-T396 HydrophobicContact CD1-CG2 4.1Å; L365-T396 HydrophobicContact CD2-CG2 3.86Å; L365-P400 HydrophobicContact CD2-CB 4.41Å; L365-P400 HydrophobicContact CD2-CG 3.41Å; L365-P400 VanDerWaalsContact CD2-CG 3.41Å; L365-P400 HydrophobicContact CG-CG 3.89Å
366C90.3Very high89.6Confident54 Ų5466.5 Ų66.537%0.36535%0.348SS..THydrogen-bonded Turntrans-109.4-9.9-179.861.80000113.7C363 E368 H387 C390C363-C366 VanDerWaalsContact CB-SG 3.54Å; C363-C366 PolarHBondContact O-N 3.49Å; C366-E368 HydrophobicContact CB-CG 4.37Å; C366-E368 PolarHBondContact O-N 3.29Å; C366-E368 PolarHBondContact SG-OE2 2.89Å; C366-H387 PolarHBondContact SG-ND1 3.26Å; C366-C390 VanDerWaalsContact SG-SG 3.64Å
367G88.1Confident89.9Confident60 Ų6064.8 Ų64.862%0.61934%0.337SS*.  trans74.1-3.6-176.100000114.7C363C363-G367 WeakPolarHBondContact O-CA 3.41Å; C363-G367 PolarHBondContact O-N 3.07Å
368E90.4Very high90.2Very high87 Ų8760.1 Ų60.141%0.40732%0.316SS..PPolyproline II helixtrans-75.2147179.5-63.2172146.500111.9Y362 C363 C366 H387 R389Y362-E368 WeakPolarHBondContact CA-O 3.3Å; C363-E368 PolarHBondContact N-O 3.05Å; C366-E368 HydrophobicContact CB-CG 4.37Å; C366-E368 PolarHBondContact O-N 3.29Å; C366-E368 PolarHBondContact SG-OE2 2.89Å; E368-H387 IonicContact OE2-CE1 3.97Å; E368-H387 IonicContact OE2-ND1 3.42Å; E368-R389 VanDerWaalsContact CD-NH2 3.32Å; E368-R389 IonicContact OE1-NH2 3.28Å; E368-R389 PolarHBondContact OE1-NH2 3.22Å; E368-R389 IonicContact OE2-CZ 2.9Å; E368-R389 IonicContact OE2-NH2 3.4Å; E368-R389 PolarHBondContact OE2-NH2 3.06Å
369S88.9Confident90.2Very high33 Ų3355.8 Ų55.823%0.23130%0.297CS..BIsolated β-bridgetrans-63.9138.3175.1-179.60000112.4L361 E372L361-S369 CarbonylContact O-C 3.59Å; L361-S369 WeakPolarHBondContact O-CA 3.38Å; S369-E372 VanDerWaalsContact CB-CD 3.48Å; S369-E372 WeakPolarHBondContact CB-OE1 3.42Å; S369-E372 WeakPolarHBondContact OG-CG 3.39Å; S369-E372 PolarHBondContact OG-OE1 3.33Å; S369-E372 VanDerWaalsContact OG-OE1 3.05Å
370I90.8Very high90.3Very high5 Ų556.2 Ų56.23%0.02630%0.299CS..SBendtrans-95142.4172.7-65.7172.3000108V176 L361 C363 E372 L377 I385V176-I370 HydrophobicContact CB-CG2 4.23Å; L361-I370 HydrophobicContact CB-CB 4.2Å; L361-I370 WeakPolarHBondContact CB-O 3.27Å; L361-I370 HydrophobicContact CD2-CB 4.36Å; L361-I370 HydrophobicContact CD2-CG2 4.17Å; L361-I370 PolarHBondContact O-N 3.3Å; C363-I370 HydrophobicContact CB-CD1 4.29Å; C363-I370 HydrophobicContact CB-CG1 4.33Å; I370-E372 VanDerWaalsContact C-N 3.34Å; I370-E372 PolarHBondContact O-N 2.88Å; I370-L377 HydrophobicContact CG1-CD2 4.33Å; I370-L377 HydrophobicContact CG2-CD1 3.57Å; I370-L377 HydrophobicContact CG2-CD2 4Å; I370-L377 HydrophobicContact CG2-CG 4.46Å; I370-I385 HydrophobicContact CD1-CB 4.24Å; I370-I385 HydrophobicContact CD1-CG2 4.1Å; I370-I385 VanDerWaalsContact CD1-O 3.31Å; I370-I385 WeakPolarHBondContact CD1-O 3.18Å
371G87.3Confident90.2Very high18 Ų1853.8 Ų53.819%0.18629%0.294CS..SBendtrans82.25.9177.900000115V176 K177V176-G371 VanDerWaalsContact O-CA 3.28Å; V176-G371 WeakPolarHBondContact O-CA 3.48Å; V176-G371 PolarHBondContact O-N 2.71Å; K177-G371 WeakPolarHBondContact CD-O 3.36Å; K177-G371 WeakPolarHBondContact CE-O 3.41Å; K177-G371 PolarHBondContact NZ-O 3.15Å
372E86.3Confident90.4Very high108 Ų10853.7 Ų53.751%0.50529%0.294SS..SBendtrans-79-44.3166.7-82.6-178.8-160.600112.4K177 S369 I370K177-E372 VanDerWaalsContact NZ-C 3.35Å; K177-E372 PolarHBondContact NZ-O 3.01Å; S369-E372 VanDerWaalsContact CB-CD 3.48Å; S369-E372 WeakPolarHBondContact CB-OE1 3.42Å; S369-E372 WeakPolarHBondContact OG-CG 3.39Å; S369-E372 PolarHBondContact OG-OE1 3.33Å; S369-E372 VanDerWaalsContact OG-OE1 3.05Å; I370-E372 VanDerWaalsContact C-N 3.34Å; I370-E372 PolarHBondContact O-N 2.88Å
373K91.4Very high90.4Very high157 Ų15748.6 Ų48.668%0.68328%0.275SS*.SBendtrans-127.5160.9-178.4-61.3177.6-173.2171.60110.1K177 S375K177-K373 WeakPolarHBondContact CB-O 3.25Å; K373-S375 PolarHBondContact O-N 3.39Å
374N95.4Very high90.5Very high79 Ų7949.6 Ų49.642%0.42228%0.279SS..  trans-60.8124.3170.1-174.721.9000108.9K177 Y179K177-N374 CarbonylContact O-C 3.6Å; K177-N374 VanDerWaalsContact O-CA 3.24Å; K177-N374 WeakPolarHBondContact O-CA 3.2Å; K177-N374 PolarHBondContact O-OD1 2.91Å; K177-N374 VanDerWaalsContact O-OD1 3.1Å; Y179-N374 HydrophobicContact CD2-CB 3.82Å; Y179-N374 VanDerWaalsContact CD2-CG 3.47Å; Y179-N374 HydrophobicContact CE2-CB 3.89Å; Y179-N374 PolarHBondContact N-OD1 3.44Å
375S94.8Very high90.8Very high36 Ų3648.8 Ų48.825%0.25227%0.268SS..  trans-148.7142.9-177.5-730000110.6K177 D178 K373 L377K177-S375 PolarHBondContact O-N 3.5Å; D178-S375 WeakPolarHBondContact CA-O 3.47Å; D178-S375 WeakPolarHBondContact CB-O 3.41Å; K373-S375 PolarHBondContact O-N 3.39Å; S375-L377 PolarHBondContact O-N 3.15Å
376R95.6Very high91Very high143 Ų14346.7 Ų46.754%0.5426%0.257SS..  trans-73.5118.9170.3-67.4-176.3-179.2175.2-0.2108.9E180 L388E180-R376 VanDerWaalsContact CD-NE 3.26Å; E180-R376 IonicContact OE1-CZ 2.8Å; E180-R376 VanDerWaalsContact OE1-CZ 3.28Å; E180-R376 IonicContact OE1-NE 2.6Å; E180-R376 PolarHBondContact OE1-NE 3.15Å; E180-R376 IonicContact OE1-NH2 3.35Å; E180-R376 PolarHBondContact OE1-NH2 3Å; E180-R376 IonicContact OE2-CZ 3.92Å; E180-R376 IonicContact OE2-NE 2.92Å; E180-R376 PolarHBondContact OE2-NE 3.17Å; E180-R376 IonicContact OE2-NH2 3.48Å; E180-R376 PolarHBondContact OE2-NH2 3.44Å; R376-L388 HydrophobicContact CB-CB 3.94Å; R376-L388 HydrophobicContact CB-CD2 3.98Å; R376-L388 WeakPolarHBondContact O-CB 3.48Å; R376-L388 PolarHBondContact O-N 3.22Å
377L95.1Very high91.1Very high2 Ų244.4 Ų44.41%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-111.7152.8-177.1-59.2177.9000110.1V176 D178 K181 I370 S375 I385 F386V176-L377 HydrophobicContact CB-CD1 4Å; V176-L377 HydrophobicContact CG2-CD1 3.7Å; D178-L377 HydrophobicContact CB-CB 4.23Å; D178-L377 HydrophobicContact CB-CD1 3.99Å; D178-L377 HydrophobicContact CB-CG 4.04Å; D178-L377 PolarHBondContact OD2-N 2.94Å; K181-L377 WeakPolarHBondContact CE-O 3.47Å; K181-L377 PolarHBondContact NZ-O 3.23Å; I370-L377 HydrophobicContact CG1-CD2 4.33Å; I370-L377 HydrophobicContact CG2-CD1 3.57Å; I370-L377 HydrophobicContact CG2-CD2 4Å; I370-L377 HydrophobicContact CG2-CG 4.46Å; S375-L377 PolarHBondContact O-N 3.15Å; L377-I385 HydrophobicContact CB-CG2 3.73Å; L377-I385 HydrophobicContact CD1-CG2 3.93Å; L377-I385 HydrophobicContact CD2-CG2 4.28Å; L377-I385 HydrophobicContact CG-CG2 4.19Å; L377-F386 CarbonylContact C-O 3.56Å; L377-F386 VanDerWaalsContact CA-O 3.31Å; L377-F386 WeakPolarHBondContact CA-O 3.27Å
378Q93Very high91.4Very high49 Ų4943.8 Ų43.823%0.22922%0.223CC..EExtended strand (participates in β ladder)trans-141.3130.6174.2-179.7613600109.5K181 F386 L388 L391K181-Q378 VanDerWaalsContact NZ-OE1 3.1Å; Q378-F386 PolarHBondContact N-O 3.04Å; Q378-F386 PolarHBondContact O-N 3.39Å; Q378-L388 HydrophobicContact CB-CD1 4.03Å; Q378-L388 HydrophobicContact CG-CD1 4.5Å; Q378-L391 HydrophobicContact CB-CD1 3.71Å; Q378-L391 HydrophobicContact CG-CD1 3.67Å
379A91.1Very high91.5Very high12 Ų1246.1 Ų46.110%0.09923%0.228CC..EExtended strand (participates in β ladder)trans-89.1143.4173.400000110.5L143 H384 I385L143-A379 HydrophobicContact CD2-CB 3.49Å; L143-A379 VanDerWaalsContact CD2-CB 3.49Å; A379-H384 VanDerWaalsContact CA-O 3.27Å; A379-H384 WeakPolarHBondContact CA-O 3.41Å; A379-I385 HydrophobicContact CB-CG1 4.38Å
380L90.2Very high91.5Very high18 Ų1845.1 Ų45.19%0.09422%0.221CC..  trans-84.8168166-67.6-177000110.1C382 S383 H384 F386 L391 C399L380-C382 PolarHBondContact O-N 3.42Å; L380-S383 WeakPolarHBondContact O-CA 3.34Å; L380-S383 PolarHBondContact O-N 3.41Å; L380-H384 PolarHBondContact N-O 3.43Å; L380-F386 HydrophobicContact CB-CE2 4.47Å; L380-F386 HydrophobicContact CD1-CD2 4.06Å; L380-F386 HydrophobicContact CD1-CE2 3.52Å; L380-F386 HydrophobicContact CD1-CZ 4.22Å; L380-F386 HydrophobicContact CG-CD2 3.95Å; L380-F386 HydrophobicContact CG-CE2 3.79Å; L380-L391 HydrophobicContact CD1-CD2 4.46Å; L380-L391 HydrophobicContact CD2-CD1 4.13Å; L380-L391 HydrophobicContact CD2-CD2 4Å; L380-L391 HydrophobicContact CG-CD2 4.39Å; L380-C399 HydrophobicContact CD1-CB 3.73Å
381P86.4Confident91.4Very high66 Ų6646.1 Ų46.143%0.42923%0.226SC..THydrogen-bonded Turntrans-60.1-5.6179.4-26.235.4000116.6K408P381-K408 HydrophobicContact CB-CB 4.35Å; P381-K408 HydrophobicContact CG-CB 4.29Å
382C88.3Confident91.4Very high15 Ų1551.9 Ų51.910%0.10125%0.248CC..THydrogen-bonded Turntrans-100.412.6172.957.70000112.7Q140 L380 H384 C399 C402Q140-C382 PolarHBondContact NE2-O 3.37Å; L380-C382 PolarHBondContact O-N 3.42Å; C382-H384 PolarHBondContact O-N 3.06Å; C382-H384 PolarHBondContact SG-ND1 3.23Å; C382-C399 VanDerWaalsContact SG-CB 3.55Å; C382-C399 PolarHBondContact SG-SG 3.22Å; C382-C402 VanDerWaalsContact SG-SG 3.61Å
383S91Very high91.3Very high3 Ų353 Ų532%0.02126%0.257CS..  trans62.29.7178-340000115.1E144 E147 L380E144-S383 VanDerWaalsContact CA-OG 3.27Å; E144-S383 WeakPolarHBondContact CA-OG 3.34Å; E144-S383 WeakPolarHBondContact CB-OG 3.49Å; E147-S383 PolarHBondContact OE2-OG 3.42Å; L380-S383 WeakPolarHBondContact O-CA 3.34Å; L380-S383 PolarHBondContact O-N 3.41Å
384H91.5Very high90.4Very high21 Ų2150 Ų5010%0.09725%0.249CC..  trans-72.5137.3167-70.4100.9000110.2Q140 A379 L380 C382 F386 C399 N401 C402Q140-H384 PolarHBondContact NE2-CE1 3.13Å; Q140-H384 PolarHBondContact NE2-ND1 3.36Å; Q140-H384 PolarHBondContact NE2-NE2 3.01Å; Q140-H384 PolarHBondContact OE1-NE2 3.16Å; A379-H384 VanDerWaalsContact CA-O 3.27Å; A379-H384 WeakPolarHBondContact CA-O 3.41Å; L380-H384 PolarHBondContact N-O 3.43Å; C382-H384 PolarHBondContact O-N 3.06Å; C382-H384 PolarHBondContact SG-ND1 3.23Å; H384-F386 HydrophobicContact CB-CE2 3.61Å; H384-F386 HydrophobicContact CB-CZ 3.98Å; H384-F386 WeakPolarHBondContact O-CE2 3.45Å; H384-C399 PolarHBondContact ND1-SG 2.96Å; H384-N401 VanDerWaalsContact CD2-CB 3.45Å; H384-N401 WeakPolarHBondContact CD2-CB 3.4Å; H384-N401 PolarHBondContact CD2-ND2 2.92Å; H384-N401 WeakPolarHBondContact NE2-CB 3.35Å; H384-C402 VanDerWaalsContact CE1-CB 3.49Å; H384-C402 WeakPolarHBondContact CE1-CB 3.32Å; H384-C402 PolarHBondContact CE1-SG 3.24Å
385I91.9Very high88.9Confident15 Ų1549.1 Ų49.18%0.07726%0.259CS..EExtended strand (participates in β ladder)trans-105.3135.8-171.7-56.4169.6000109.5L143 F172 I370 L377 A379L143-I385 HydrophobicContact CD2-CD1 3.95Å; L143-I385 HydrophobicContact CD2-CG1 3.85Å; F172-I385 HydrophobicContact CE1-CD1 3.73Å; F172-I385 HydrophobicContact CZ-CD1 3.49Å; F172-I385 VanDerWaalsContact CZ-CD1 3.49Å; I370-I385 HydrophobicContact CD1-CB 4.24Å; I370-I385 HydrophobicContact CD1-CG2 4.1Å; I370-I385 VanDerWaalsContact CD1-O 3.31Å; I370-I385 WeakPolarHBondContact CD1-O 3.18Å; L377-I385 HydrophobicContact CB-CG2 3.73Å; L377-I385 HydrophobicContact CD1-CG2 3.93Å; L377-I385 HydrophobicContact CD2-CG2 4.28Å; L377-I385 HydrophobicContact CG-CG2 4.19Å; A379-I385 HydrophobicContact CB-CG1 4.38Å
386F93.1Very high87.5Confident0 Ų049 Ų490%026%0.256CS..EExtended strand (participates in β ladder)trans-131.7157.4178.5-60-90.1000110L365 L377 Q378 L380 H384 L388 L391 P400L365-F386 HydrophobicContact CB-CD1 4.43Å; L365-F386 HydrophobicContact CD1-CD1 3.98Å; L365-F386 HydrophobicContact CD1-CG 4.46Å; L365-F386 HydrophobicContact CG-CD1 3.86Å; L365-F386 HydrophobicContact CG-CE1 4.18Å; L377-F386 CarbonylContact C-O 3.56Å; L377-F386 VanDerWaalsContact CA-O 3.31Å; L377-F386 WeakPolarHBondContact CA-O 3.27Å; Q378-F386 PolarHBondContact N-O 3.04Å; Q378-F386 PolarHBondContact O-N 3.39Å; L380-F386 HydrophobicContact CB-CE2 4.47Å; L380-F386 HydrophobicContact CD1-CD2 4.06Å; L380-F386 HydrophobicContact CD1-CE2 3.52Å; L380-F386 HydrophobicContact CD1-CZ 4.22Å; L380-F386 HydrophobicContact CG-CD2 3.95Å; L380-F386 HydrophobicContact CG-CE2 3.79Å; H384-F386 HydrophobicContact CB-CE2 3.61Å; H384-F386 HydrophobicContact CB-CZ 3.98Å; H384-F386 WeakPolarHBondContact O-CE2 3.45Å; F386-L388 PolarHBondContact O-N 3.08Å; F386-L391 HydrophobicContact CB-CD1 4.1Å; F386-L391 HydrophobicContact CB-CD2 4.22Å; F386-L391 HydrophobicContact CB-CG 3.89Å; F386-L391 HydrophobicContact CD2-CD2 4.27Å; F386-L391 HydrophobicContact CG-CD2 4.18Å; F386-L391 HydrophobicContact CG-CG 4.4Å; F386-P400 HydrophobicContact CE1-CB 4.38Å; F386-P400 HydrophobicContact CE1-CG 3.98Å; F386-P400 HydrophobicContact CZ-CG 4.27Å
387H93.9Very high86.3Confident6 Ų652.5 Ų52.53%0.02827%0.269CS..EExtended strand (participates in β ladder)trans-61.6131.8164.2-65124000109.7C363 C366 E368 R389 C390 L391C363-H387 WeakPolarHBondContact CB-ND1 3.37Å; C366-H387 PolarHBondContact SG-ND1 3.26Å; E368-H387 IonicContact OE2-CE1 3.97Å; E368-H387 IonicContact OE2-ND1 3.42Å; H387-R389 HydrophobicContact CB-CG 4.03Å; H387-R389 PolarHBondContact O-N 3.46Å; H387-C390 HydrophobicContact CB-CB 4.36Å; H387-C390 WeakPolarHBondContact O-CB 3.41Å; H387-C390 PolarHBondContact O-N 3.42Å; H387-L391 PolarHBondContact O-N 3.03Å
388L92.7Very high85.5Confident47 Ų4755 Ų5525%0.24629%0.287CS..Hα-helixtrans-54.7-42.8-178.7178.262.7000111.7R376 Q378 F386 C390 L391 Q392R376-L388 HydrophobicContact CB-CB 3.94Å; R376-L388 HydrophobicContact CB-CD2 3.98Å; R376-L388 WeakPolarHBondContact O-CB 3.48Å; R376-L388 PolarHBondContact O-N 3.22Å; Q378-L388 HydrophobicContact CB-CD1 4.03Å; Q378-L388 HydrophobicContact CG-CD1 4.5Å; F386-L388 PolarHBondContact O-N 3.08Å; L388-C390 PolarHBondContact O-N 3.06Å; L388-L391 PolarHBondContact O-N 3.2Å; L388-Q392 HydrophobicContact CD1-CG 4.39Å; L388-Q392 WeakPolarHBondContact O-CG 3.43Å; L388-Q392 PolarHBondContact O-N 3.41Å; L388-Q392 VanDerWaalsContact O-N 3.1Å
389R92.5Very high85.1Confident135 Ų13552.7 Ų52.751%0.50928%0.276SS..Hα-helixtrans-56.1-35.4176.265.7-177.8179.71782.6113.4E368 H387 N393E368-R389 VanDerWaalsContact CD-NH2 3.32Å; E368-R389 IonicContact OE1-NH2 3.28Å; E368-R389 PolarHBondContact OE1-NH2 3.22Å; E368-R389 IonicContact OE2-CZ 2.9Å; E368-R389 IonicContact OE2-NH2 3.4Å; E368-R389 PolarHBondContact OE2-NH2 3.06Å; H387-R389 HydrophobicContact CB-CG 4.03Å; H387-R389 PolarHBondContact O-N 3.46Å; R389-N393 WeakPolarHBondContact O-CB 3.45Å; R389-N393 VanDerWaalsContact O-CG 3.23Å; R389-N393 PolarHBondContact O-N 3.2Å; R389-N393 VanDerWaalsContact O-N 3.15Å; R389-N393 PolarHBondContact O-ND2 3.21Å
390C90.3Very high84.7Confident12 Ų1254.6 Ų54.68%0.08129%0.287CS..Hα-helixtrans-73.3-39.4-177.8-64.50000111.3L365 C366 H387 L388 N394L365-C390 HydrophobicContact CB-CB 3.76Å; L365-C390 HydrophobicContact CD1-CB 3.68Å; L365-C390 HydrophobicContact CG-CB 4.38Å; C366-C390 VanDerWaalsContact SG-SG 3.64Å; H387-C390 HydrophobicContact CB-CB 4.36Å; H387-C390 WeakPolarHBondContact O-CB 3.41Å; H387-C390 PolarHBondContact O-N 3.42Å; L388-C390 PolarHBondContact O-N 3.06Å; C390-N394 WeakPolarHBondContact O-CB 3.4Å; C390-N394 PolarHBondContact O-N 3.01Å; C390-N394 VanDerWaalsContact O-N 3.08Å
391L88.2Confident84.3Confident26 Ų2656.5 Ų56.514%0.13630%0.298CS..Hα-helixtrans-68.1-39.2176.2-69.6177.5000112L365 Q378 L380 F386 H387 L388 N393 G395 T396L365-L391 HydrophobicContact CD1-CD2 3.81Å; L365-L391 HydrophobicContact CD1-CG 4.36Å; Q378-L391 HydrophobicContact CB-CD1 3.71Å; Q378-L391 HydrophobicContact CG-CD1 3.67Å; L380-L391 HydrophobicContact CD1-CD2 4.46Å; L380-L391 HydrophobicContact CD2-CD1 4.13Å; L380-L391 HydrophobicContact CD2-CD2 4Å; L380-L391 HydrophobicContact CG-CD2 4.39Å; F386-L391 HydrophobicContact CB-CD1 4.1Å; F386-L391 HydrophobicContact CB-CD2 4.22Å; F386-L391 HydrophobicContact CB-CG 3.89Å; F386-L391 HydrophobicContact CD2-CD2 4.27Å; F386-L391 HydrophobicContact CG-CD2 4.18Å; F386-L391 HydrophobicContact CG-CG 4.4Å; H387-L391 PolarHBondContact O-N 3.03Å; L388-L391 PolarHBondContact O-N 3.2Å; L391-N393 VanDerWaalsContact C-N 3.34Å; L391-G395 PolarHBondContact O-N 3.12Å; L391-T396 HydrophobicContact CD2-CG2 4.4Å
392Q87.1Confident84.3Confident139 Ų13955.4 Ų55.465%0.6529%0.291SS*.Hα-helixtrans-64.1-38.1177.7-72.2174.9-26.700112.3L388L388-Q392 HydrophobicContact CD1-CG 4.39Å; L388-Q392 WeakPolarHBondContact O-CG 3.43Å; L388-Q392 PolarHBondContact O-N 3.41Å; L388-Q392 VanDerWaalsContact O-N 3.1Å
393N84.1Confident84.1Confident131 Ų13165 Ų6570%0.70133%0.326SS*.Hα-helixtrans-82.1-34.7-177.5-69-5.3000113.8R389 L391R389-N393 WeakPolarHBondContact O-CB 3.45Å; R389-N393 VanDerWaalsContact O-CG 3.23Å; R389-N393 PolarHBondContact O-N 3.2Å; R389-N393 VanDerWaalsContact O-N 3.15Å; R389-N393 PolarHBondContact O-ND2 3.21Å; L391-N393 VanDerWaalsContact C-N 3.34Å
394N71.8Confident83.6Confident96 Ų9672.7 Ų72.751%0.51335%0.354SS..Hα-helixtrans-100.4-9.3-169.1-72.2-9.4000115.1L365 C390L365-N394 HydrophobicContact CD2-CB 4.45Å; C390-N394 WeakPolarHBondContact O-CB 3.4Å; C390-N394 PolarHBondContact O-N 3.01Å; C390-N394 VanDerWaalsContact O-N 3.08Å
395G65Low82.6Confident60 Ų6075.5 Ų75.562%0.61938%0.376SS*.  trans48.268.7175.500000113.9L391 R397L391-G395 PolarHBondContact O-N 3.12Å; G395-R397 PolarHBondContact O-N 3.47Å
396T65Low81.1Confident32 Ų3276 Ų7620%0.19638%0.381CS..  trans-81.7119-171.857.90000112.7L365 L391 S398 P400 S406L365-T396 HydrophobicContact CD1-CG2 4.1Å; L365-T396 HydrophobicContact CD2-CG2 3.86Å; L391-T396 HydrophobicContact CD2-CG2 4.4Å; T396-S398 VanDerWaalsContact C-N 3.33Å; T396-S398 WeakPolarHBondContact CB-O 3.33Å; T396-P400 HydrophobicContact CG2-CG 4.4Å; T396-S406 WeakPolarHBondContact O-CB 3.31Å; T396-S406 PolarHBondContact O-OG 2.96Å
397R70.4Confident78.8Confident218 Ų21883.6 Ų83.682%0.82342%0.418SS*.SBendtrans-74-21.3169.3-67.5-174.7-179.4-173.60.4113.6G395 S406G395-R397 PolarHBondContact O-N 3.47Å; R397-S406 WeakPolarHBondContact CA-OG 3.49Å; R397-S406 PolarHBondContact O-N 2.98Å; R397-S406 VanDerWaalsContact O-N 3.1Å; R397-S406 PolarHBondContact O-OG 3.41Å; R397-S406 VanDerWaalsContact O-OG 3.05Å
398S78.7Confident76.6Confident53 Ų5390.5 Ų90.537%0.37145%0.448SS..BIsolated β-bridgetrans-145.4154.1177.363.10000110.3T396 P400 R404T396-S398 VanDerWaalsContact C-N 3.33Å; T396-S398 WeakPolarHBondContact CB-O 3.33Å; S398-P400 WeakPolarHBondContact O-CD 3.48Å; S398-R404 CarbonylContact C-O 3.52Å; S398-R404 VanDerWaalsContact CA-O 3.25Å; S398-R404 WeakPolarHBondContact CA-O 3.35Å; S398-R404 WeakPolarHBondContact CB-O 3.38Å
399C83.3Confident74Confident1 Ų193.7 Ų93.71%0.00747%0.472CS..  trans-66.2125.6178.3175.30000110.7L380 C382 H384 N401 C402 R403 R404L380-C399 HydrophobicContact CD1-CB 3.73Å; C382-C399 VanDerWaalsContact SG-CB 3.55Å; C382-C399 PolarHBondContact SG-SG 3.22Å; H384-C399 PolarHBondContact ND1-SG 2.96Å; C399-N401 VanDerWaalsContact C-N 3.26Å; C399-N401 PolarHBondContact O-N 3.15Å; C399-N401 PolarHBondContact SG-N 3.43Å; C399-C402 PolarHBondContact O-N 3.47Å; C399-C402 VanDerWaalsContact SG-SG 3.62Å; C399-R403 WeakPolarHBondContact O-CA 3.15Å; C399-R403 PolarHBondContact O-N 3.06Å; C399-R404 PolarHBondContact N-O 3.07Å
400P84.1Confident71.2Confident52 Ų5290.6 Ų90.634%0.33848%0.482SS..THydrogen-bonded Turntrans-56.8-35.9177.1-26.233.5000114.2L365 F386 T396 S398L365-P400 HydrophobicContact CD2-CB 4.41Å; L365-P400 HydrophobicContact CD2-CG 3.41Å; L365-P400 VanDerWaalsContact CD2-CG 3.41Å; L365-P400 HydrophobicContact CG-CG 3.89Å; F386-P400 HydrophobicContact CE1-CB 4.38Å; F386-P400 HydrophobicContact CE1-CG 3.98Å; F386-P400 HydrophobicContact CZ-CG 4.27Å; T396-P400 HydrophobicContact CG2-CG 4.4Å; S398-P400 WeakPolarHBondContact O-CD 3.48Å
401N82.1Confident68.8Low58 Ų5899.2 Ų99.231%0.3152%0.518SS..THydrogen-bonded Turntrans-78.9-33.5-173.5-64.320.4000113G364 H384 C399G364-N401 WeakPolarHBondContact CA-OD1 3.43Å; H384-N401 VanDerWaalsContact CD2-CB 3.45Å; H384-N401 WeakPolarHBondContact CD2-CB 3.4Å; H384-N401 PolarHBondContact CD2-ND2 2.92Å; H384-N401 WeakPolarHBondContact NE2-CB 3.35Å; C399-N401 VanDerWaalsContact C-N 3.26Å; C399-N401 PolarHBondContact O-N 3.15Å; C399-N401 PolarHBondContact SG-N 3.43Å
402C85.6Confident66.5Low44 Ų44104.5 Ų104.530%0.29755%0.551SS.*THydrogen-bonded Turntrans-129.72-174.5680000115.5C382 H384 C399 R404C382-C402 VanDerWaalsContact SG-SG 3.61Å; H384-C402 VanDerWaalsContact CE1-CB 3.49Å; H384-C402 WeakPolarHBondContact CE1-CB 3.32Å; H384-C402 PolarHBondContact CE1-SG 3.24Å; C399-C402 PolarHBondContact O-N 3.47Å; C399-C402 VanDerWaalsContact SG-SG 3.62Å; C402-R404 PolarHBondContact O-N 2.87Å
403R84Confident65.5Low217 Ų217102.8 Ų102.882%0.81955%0.547SS*.  trans58.79.9179.4-52.4-175.6-179.6-166.10.2115.7C399C399-R403 WeakPolarHBondContact O-CA 3.15Å; C399-R403 PolarHBondContact O-N 3.06Å
404R80.5Confident64.5Low164 Ų164101.3 Ų101.362%0.61954%0.538SS*.  trans-71.4142.6173.6-67-177.7179-179.91.3110.8S398 C399 C402 S406S398-R404 CarbonylContact C-O 3.52Å; S398-R404 VanDerWaalsContact CA-O 3.25Å; S398-R404 WeakPolarHBondContact CA-O 3.35Å; S398-R404 WeakPolarHBondContact CB-O 3.38Å; C399-R404 PolarHBondContact N-O 3.07Å; C402-R404 PolarHBondContact O-N 2.87Å; R404-S406 PolarHBondContact O-N 3.49Å
405S70.4Confident64.1Low79 Ų79101.6 Ų101.655%0.55254%0.54SS*.BIsolated β-bridgetrans-56.5136.3177.9-178.60000111.6M407S405-M407 VanDerWaalsContact C-N 3.26Å; S405-M407 PolarHBondContact OG-N 3.48Å
406S59.8Low64.1Low27 Ų27104 Ų10419%0.18954%0.535CS..SBendtrans-79-9.7175.355.30000112.8T396 R397 R404 K408T396-S406 WeakPolarHBondContact O-CB 3.31Å; T396-S406 PolarHBondContact O-OG 2.96Å; R397-S406 WeakPolarHBondContact CA-OG 3.49Å; R397-S406 PolarHBondContact O-N 2.98Å; R397-S406 VanDerWaalsContact O-N 3.1Å; R397-S406 PolarHBondContact O-OG 3.41Å; R397-S406 VanDerWaalsContact O-OG 3.05Å; R404-S406 PolarHBondContact O-N 3.49Å; S406-K408 PolarHBondContact O-N 3.48Å
407M46.5Very low64Low158 Ų158108.5 Ų108.578%0.77856%0.556SS**  trans-81.992.6176.6-70.7-176.2178.500111.3S405S405-M407 VanDerWaalsContact C-N 3.26Å; S405-M407 PolarHBondContact OG-N 3.48Å
408K46Very low63.6Low152 Ų152101.2 Ų101.266%0.66154%0.539SS*.SBendtrans-126148.3140.8-78.3-170175.5-176.60107.5P381 S406 G410P381-K408 HydrophobicContact CB-CB 4.35Å; P381-K408 HydrophobicContact CG-CB 4.29Å; S406-K408 PolarHBondContact O-N 3.48Å; K408-G410 PolarHBondContact O-N 2.95Å
409P38.3Very low62.5Low113 Ų113104.6 Ų104.673%0.73455%0.551SS**  trans-52.5130.9177-1930.7000108.9F411P409-F411 WeakPolarHBondContact O-CD2 3.48Å; P409-F411 WeakPolarHBondContact O-CE2 3.24Å
410G33.6Very low60.9Low71 Ų71112.6 Ų112.673%0.73259%0.592SS**  trans-60.9151.1-165.400000113.8K408K408-G410 PolarHBondContact O-N 2.95Å
411F41.1Very low59Low192 Ų192117.7 Ų117.784%0.84261%0.614SS**  trans-137.3102.8162.4-67.8-80000107.3P409P409-F411 WeakPolarHBondContact O-CD2 3.48Å; P409-F411 WeakPolarHBondContact O-CE2 3.24Å
412V39.8Very low56.9Low137 Ų137123.1 Ų123.183%0.8364%0.641SS**  trans-116.90153.9174.50000105.6

Retrieved 412 of 412 residues in 324.7 ms (Link to these results)

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