A0A087XTI3_POEFO Loading...

Hepatocyte nuclear factor 4, gamma

AlphaFold DB , UniProt , Accession A0A087XTI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 422 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
1M31.5Very low30Very low231 Ų231159.9 Ų159.9100%1.13884%0.837SS**  0101.30-164179.3-166.900105.5
2H30.7Very low30.4Very low166 Ų166155.8 Ų155.877%0.76983%0.832SS**  cis-128.9140.414.1-99.3-97.8000109.6
3I25.6Very low30.4Very low141 Ų141156.5 Ų156.572%0.72383%0.831SS**  trans-85.7135.5164.3-67.1166.5000105.9
4L30.6Very low30.8Very low166 Ų166153.7 Ų153.787%0.86983%0.826SS**  trans-125.2115.2162.2-82.4172.7000109.2
5D28.4Very low31.3Very low143 Ų143152.9 Ų152.977%0.76583%0.829SS**  trans-59.8135.5178.9-63.4-62.5000112.4
6R27.9Very low31.5Very low252 Ų252154.5 Ų154.595%0.95183%0.829SS**  trans-108.993.5165.6-164.3170.6163.8-161.4-5.2108.2
7N28.4Very low32Very low154 Ų154151.6 Ų151.682%0.82482%0.821SS**  trans-79.4143.8179.5-1506.3000111
8S33Very low32.1Very low103 Ų103149.7 Ų149.772%0.7282%0.82SS**  trans-69.9129.6-179.4-45.40000111.1
9N28.3Very low32.5Very low159 Ų159151.9 Ų151.985%0.8582%0.824SS**  trans-143.8123.2156.4-106.2-9000109.8
10A34.2Very low32.9Very low102 Ų102150.3 Ų150.384%0.84383%0.825SS**  trans-82.9108.9175.800000108.6
11D31.7Very low33Very low142 Ų142146.1 Ų146.176%0.75982%0.816SS**PPolyproline II helixtrans-90.4119.3172.4-84.4-34.1000111.2
12S34Very low33.8Very low111 Ų111141.2 Ų141.278%0.77680%0.801SS**PPolyproline II helixtrans-53.3126.117137.10000113.3
13M31Very low34.4Very low165 Ų165140.2 Ų140.281%0.81380%0.802SS**PPolyproline II helixtrans-78.3147.5169.6-73.9-71.8129.300111.4
14P35.3Very low35.6Very low117 Ų117137.7 Ų137.776%0.7681%0.811SS**PPolyproline II helixtrans-73142.6-173.8-6.523.4000111.7E16P14-E16 PolarHBondContact O-N 3.26Å
15T39.4Very low36.8Very low142 Ų142136.5 Ų136.587%0.87180%0.804SS**  trans-77.9112175.2-23.50000108.9
16E34.3Very low38.4Very low178 Ų178135.5 Ų135.583%0.83280%0.799SS**  trans-71144.4170.8-78-119.1142.200111.4P14P14-E16 PolarHBondContact O-N 3.26Å
17P39.3Very low41Very low106 Ų106126.9 Ų126.969%0.68878%0.781SS**  trans-74.8138.1-174.729.5-31.2000111.9H19P17-H19 PolarHBondContact O-N 3.45Å; P17-H19 VanDerWaalsContact O-N 3.15Å
18S34.1Very low44.2Very low117 Ų117124 Ų12482%0.81877%0.766SS**  trans-58.3108.8175.748.40000112.6S20S18-S20 PolarHBondContact O-N 3.29Å
19H39.6Very low47.2Very low191 Ų191119.2 Ų119.288%0.88473%0.733SS**  trans-68.2107.7159.5-84.7-69.2000109.9P17 G21P17-H19 PolarHBondContact O-N 3.45Å; P17-H19 VanDerWaalsContact O-N 3.15Å; H19-G21 PolarHBondContact O-N 3.09Å; H19-G21 VanDerWaalsContact O-N 3.16Å
20S41Very low50.5Low120 Ų120114.1 Ų114.184%0.83971%0.712SS**  trans-71.694.1166.750.50000110S18S18-S20 PolarHBondContact O-N 3.29Å
21G34.9Very low53.6Low62 Ų62109.2 Ų109.264%0.63967%0.672SS**  trans-80.8141.6164.300000111H19 D23H19-G21 PolarHBondContact O-N 3.09Å; H19-G21 VanDerWaalsContact O-N 3.16Å; G21-D23 PolarHBondContact O-N 3.45Å
22P47.8Very low56.7Low129 Ų129102.7 Ų102.784%0.83864%0.638SS**SBendtrans-86.588.4-178.934.6-29.6000109.5
23D44Very low59.6Low145 Ų14599.5 Ų99.578%0.77562%0.622SS**  trans-157.5115.2154.8-101-28.8000107.6G21 L25G21-D23 PolarHBondContact O-N 3.45Å; D23-L25 PolarHBondContact O-N 2.94Å
24G49.7Very low62.7Low88 Ų8893.2 Ų93.291%0.90759%0.592SS**  trans-6666.8-17300000113.8N26G24-N26 PolarHBondContact O-N 3.17Å
25L57.3Low65.7Low141 Ų14195.5 Ų95.574%0.73859%0.59SS**  trans-72109.9167.7-71.9167.2000107.6D23 A27D23-L25 PolarHBondContact O-N 2.94Å; L25-A27 PolarHBondContact O-N 3.48Å
26N61.2Low68.4Low121 Ų12189.6 Ų89.665%0.64756%0.556SS**  trans-39.7110.1171.9-95.5-11.6000110.3G24 N28 S44G24-N26 PolarHBondContact O-N 3.17Å; N26-N28 PolarHBondContact O-N 3Å; N26-S44 PolarHBondContact O-OG 2.67Å
27A82.3Confident71.3Confident71 Ų7184.7 Ų84.759%0.58754%0.538SS*.SBendtrans-63.3-8.7179.500000112.7L25 A36L25-A27 PolarHBondContact O-N 3.48Å; A27-A36 PolarHBondContact O-N 3.08Å
28N95.1Very high73.8Confident93 Ų9381.2 Ų81.250%0.49752%0.521SS..BIsolated β-bridgetrans-112.7142.3-178.1-6370.5000111.3N26 A30 G33N26-N28 PolarHBondContact O-N 3Å; N28-A30 PolarHBondContact O-N 3.3Å; N28-G33 PolarHBondContact ND2-O 2.68Å
29C97.4Very high76.8Confident4 Ų483 Ų833%0.02751%0.514CS..  trans-63.2121.9176173.50000110.3I31 C32 G33 D34 C46C29-I31 PolarHBondContact O-N 2.79Å; C29-C32 PolarHBondContact O-N 3.4Å; C29-G33 WeakPolarHBondContact O-CA 3.33Å; C29-G33 PolarHBondContact O-N 3.43Å; C29-D34 WeakPolarHBondContact CB-O 3.45Å; C29-D34 PolarHBondContact N-O 2.96Å; C29-C46 HydrophobicContact CB-CB 4.09Å; C29-C46 PolarHBondContact SG-N 2.98Å; C29-C46 VanDerWaalsContact SG-N 3.42Å
30A97.1Very high79.5Confident51 Ų5175.2 Ų75.242%0.42148%0.478SS..THydrogen-bonded Turntrans-63.6-10.7-179.500000114.1N28 S44 A92N28-A30 PolarHBondContact O-N 3.3Å; A30-S44 PolarHBondContact N-O 3.39Å; A30-A92 HydrophobicContact CB-CB 4.05Å
31I98.2Very high82.2Confident0 Ų071.4 Ų71.40%045%0.446CS..THydrogen-bonded Turntrans-96.5-49.3-178.6-59.188.1000111.5C29 C49 V73 R85 K88 A92 M94C29-I31 PolarHBondContact O-N 2.79Å; I31-C49 HydrophobicContact CB-CB 4.31Å; I31-C49 HydrophobicContact CD1-CB 4.35Å; I31-V73 HydrophobicContact CG2-CG1 4.06Å; I31-V73 WeakPolarHBondContact O-CG1 3.29Å; I31-R85 HydrophobicContact CG2-CG 4.39Å; I31-K88 HydrophobicContact CG2-CB 4.34Å; I31-K88 HydrophobicContact CG2-CD 4.4Å; I31-K88 HydrophobicContact CG2-CG 4.3Å; I31-K88 WeakPolarHBondContact O-CD 3.13Å; I31-K88 WeakPolarHBondContact O-CE 3.46Å; I31-K88 PolarHBondContact O-NZ 2.95Å; I31-A92 HydrophobicContact CD1-CB 4.15Å; I31-A92 HydrophobicContact CG1-CB 4.03Å; I31-M94 HydrophobicContact CD1-CE 3.73Å; I31-M94 HydrophobicContact CD1-SD 4.3Å
32C97.1Very high85Confident5 Ų570.3 Ų70.33%0.03443%0.434CS..THydrogen-bonded Turntrans-127.82.1-171.671.10000114.6C29 D34 V73 D74 K75 R78C29-C32 PolarHBondContact O-N 3.4Å; C32-D34 PolarHBondContact O-N 3.44Å; C32-D34 VanDerWaalsContact SG-CB 3.51Å; C32-V73 HydrophobicContact CB-CG1 4.23Å; C32-D74 CarbonylContact O-C 3.24Å; C32-D74 VanDerWaalsContact O-C 3.24Å; C32-D74 WeakPolarHBondContact O-CA 3.28Å; C32-K75 PolarHBondContact O-N 3.32Å; C32-R78 HydrophobicContact CB-CB 4.09Å; C32-R78 PolarHBondContact SG-NH1 2.86Å
33G95.9Very high87.3Confident43 Ų4364.4 Ų64.444%0.44340%0.396SS..SBendtrans75.9-6.1178.500000115.9N28 C29N28-G33 PolarHBondContact ND2-O 2.68Å; C29-G33 WeakPolarHBondContact O-CA 3.33Å; C29-G33 PolarHBondContact O-N 3.43Å
34D96.7Very high89.8Confident33 Ų3358.8 Ų58.818%0.17637%0.368CS..SBendtrans-64.3164.8174.8-165.413.7000112C29 C32 A36 C46 K75 R78C29-D34 WeakPolarHBondContact CB-O 3.45Å; C29-D34 PolarHBondContact N-O 2.96Å; C32-D34 PolarHBondContact O-N 3.44Å; C32-D34 VanDerWaalsContact SG-CB 3.51Å; D34-A36 PolarHBondContact O-N 3.23Å; D34-C46 HydrophobicContact CB-CB 4.28Å; D34-K75 HydrophobicContact CB-CB 4.45Å; D34-K75 HydrophobicContact CB-CG 4.18Å; D34-R78 IonicContact OD2-CZ 2.74Å; D34-R78 IonicContact OD2-NH1 3.15Å; D34-R78 PolarHBondContact OD2-NH1 3.15Å; D34-R78 IonicContact OD2-NH2 3.27Å
35K96.5Very high92.1Very high165 Ų16554.6 Ų54.672%0.71733%0.325SS*.BIsolated β-bridgetrans-58.6123-179.3-172.3175.1-180178.70110.7C46K35-C46 WeakPolarHBondContact O-CB 3.49Å
36A96.6Very high94.1Very high19 Ų1948 Ų4816%0.15729%0.291CS..PPolyproline II helixtrans-73.8140.8177.700000110.4A27 D34 S44A27-A36 PolarHBondContact O-N 3.08Å; D34-A36 PolarHBondContact O-N 3.23Å; A36-S44 WeakPolarHBondContact CB-OG 3.36Å
37T95.3Very high95.8Very high75 Ų7546.7 Ų46.746%0.4628%0.284SS..  trans-100.2-1.5173.355.90000112.2H40 S45 D47T37-H40 PolarHBondContact OG1-NE2 3.41Å; T37-S45 PolarHBondContact N-O 3.32Å; T37-D47 PolarHBondContact OG1-OD1 3.47Å
38G93.2Very high96.5Very high33 Ų3344.6 Ų44.634%0.3427%0.269SS..EExtended strand (participates in β ladder)trans140.6-166.517900000112.2S44 S45G38-S44 WeakPolarHBondContact O-CA 3.49Å; G38-S45 PolarHBondContact O-N 3.02Å
39K95.8Very high96.7Very high153 Ų15340.2 Ų40.267%0.66525%0.246SC*.EExtended strand (participates in β ladder)trans-88115.9175.5-166.7175.7-175.4175.90109.6G42 A43K39-G42 WeakPolarHBondContact CE-O 3.34Å; K39-A43 WeakPolarHBondContact CA-O 3.43Å
40H96.4Very high96.7Very high28 Ų2843.4 Ų43.413%0.1326%0.259CS..EExtended strand (participates in β ladder)trans-120.3128177.2-52.8-70.3000109.8T37 G42 A43 S45 K50T37-H40 PolarHBondContact OG1-NE2 3.41Å; H40-G42 PolarHBondContact O-N 3.47Å; H40-G42 VanDerWaalsContact O-N 3.08Å; H40-A43 PolarHBondContact N-O 3.07Å; H40-A43 PolarHBondContact O-N 2.94Å; H40-S45 WeakPolarHBondContact CB-OG 3.48Å; H40-S45 PolarHBondContact CD2-O 3.36Å; H40-S45 PolarHBondContact CD2-OG 2.87Å; H40-S45 VanDerWaalsContact CD2-OG 3.32Å; H40-K50 HydrophobicContact CB-CB 4.03Å; H40-K50 HydrophobicContact CB-CD 4.27Å; H40-K50 HydrophobicContact CB-CG 3.88Å; H40-K50 PolarHBondContact CE1-NZ 2.95Å; H40-K50 WeakPolarHBondContact ND1-CD 3.33Å; H40-K50 WeakPolarHBondContact ND1-CE 3.15Å; H40-K50 PolarHBondContact ND1-NZ 3.05Å
41Y97Very high96.7Very high41 Ų4141.5 Ų41.516%0.16124%0.244CC..THydrogen-bonded Turntrans55.323.6-179.4-47.2-64.4000114.7K50 F53 R54 M94 K95 A98 V99Y41-K50 HydrophobicContact CE2-CB 4.48Å; Y41-K50 HydrophobicContact CE2-CG 3.8Å; Y41-K50 WeakPolarHBondContact CE2-O 3.46Å; Y41-F53 AromaticContact CD2-CD1 3.67Å; Y41-F53 HydrophobicContact CD2-CD1 3.67Å; Y41-F53 HydrophobicContact CD2-CE1 4.42Å; Y41-F53 HydrophobicContact CD2-CG 4.49Å; Y41-F53 HydrophobicContact CE2-CD1 4.31Å; Y41-F53 AromaticContact CG-CD1 3.92Å; Y41-F53 HydrophobicContact CG-CD1 3.92Å; Y41-F53 HydrophobicContact CG-CE1 4.22Å; Y41-R54 HydrophobicContact CE2-CB 4.25Å; Y41-R54 WeakPolarHBondContact OH-CB 3.45Å; Y41-R54 WeakPolarHBondContact OH-CD 3.33Å; Y41-M94 CarbonylContact O-C 3.48Å; Y41-M94 VanDerWaalsContact O-CA 3.32Å; Y41-M94 WeakPolarHBondContact O-CA 3.47Å; Y41-K95 PolarHBondContact O-N 3.12Å; Y41-A98 HydrophobicContact CD1-CB 4.08Å; Y41-A98 WeakPolarHBondContact CD1-O 3.26Å; Y41-V99 HydrophobicContact CD1-CG2 3.77Å; Y41-V99 HydrophobicContact CE1-CB 4.41Å; Y41-V99 HydrophobicContact CE1-CG2 3.83Å; Y41-V99 HydrophobicContact CG-CG2 4.28Å
42G94.6Very high96.7Very high38 Ų3842 Ų4239%0.39225%0.247SC..THydrogen-bonded Turntrans107.4-12179.400000115.6K39 H40K39-G42 WeakPolarHBondContact CE-O 3.34Å; H40-G42 PolarHBondContact O-N 3.47Å; H40-G42 VanDerWaalsContact O-N 3.08Å
43A96.1Very high96.7Very high5 Ų541.8 Ų41.84%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-126.9145.6-177.500000113.2K39 H40 S45 A92 M94K39-A43 WeakPolarHBondContact CA-O 3.43Å; H40-A43 PolarHBondContact N-O 3.07Å; H40-A43 PolarHBondContact O-N 2.94Å; A43-S45 PolarHBondContact O-N 2.74Å; A43-S45 PolarHBondContact O-OG 3.35Å; A43-A92 HydrophobicContact CB-CB 4.37Å; A43-A92 WeakPolarHBondContact CB-O 3.21Å; A43-M94 HydrophobicContact CB-CG 3.77Å
44S97.3Very high96.7Very high27 Ų2744.4 Ų44.419%0.18924%0.241CC..EExtended strand (participates in β ladder)trans-63.4118.6170.4-1780000109.7N26 A30 A36 G38N26-S44 PolarHBondContact O-OG 2.67Å; A30-S44 PolarHBondContact N-O 3.39Å; A36-S44 WeakPolarHBondContact CB-OG 3.36Å; G38-S44 WeakPolarHBondContact O-CA 3.49Å
45S97.6Very high96.7Very high0 Ų049.1 Ų49.10%026%0.257CS..EExtended strand (participates in β ladder)trans-152.5161.9-173.756.90000114.1T37 G38 H40 A43 M94T37-S45 PolarHBondContact N-O 3.32Å; G38-S45 PolarHBondContact O-N 3.02Å; H40-S45 WeakPolarHBondContact CB-OG 3.48Å; H40-S45 PolarHBondContact CD2-O 3.36Å; H40-S45 PolarHBondContact CD2-OG 2.87Å; H40-S45 VanDerWaalsContact CD2-OG 3.32Å; A43-S45 PolarHBondContact O-N 2.74Å; A43-S45 PolarHBondContact O-OG 3.35Å; S45-M94 WeakPolarHBondContact OG-CE 3.44Å
46C97.8Very high96.7Very high3 Ų341.3 Ų41.32%0.0222%0.223CC..  trans-87.2164.3172.667.90000111.6C29 D34 K35 G48 C49 K50 R78C29-C46 HydrophobicContact CB-CB 4.09Å; C29-C46 PolarHBondContact SG-N 2.98Å; C29-C46 VanDerWaalsContact SG-N 3.42Å; D34-C46 HydrophobicContact CB-CB 4.28Å; K35-C46 WeakPolarHBondContact O-CB 3.49Å; C46-G48 PolarHBondContact O-N 2.78Å; C46-G48 VanDerWaalsContact O-N 3.17Å; C46-C49 PolarHBondContact O-N 2.99Å; C46-C49 VanDerWaalsContact O-N 3.07Å; C46-K50 PolarHBondContact O-N 2.92Å; C46-R78 PolarHBondContact SG-NH1 3.35Å
47D97.5Very high96.7Very high94 Ų9441.4 Ų41.450%0.50322%0.221SC..Hα-helixtrans-58.6-32.5180-67.3-29.7000113.4T37 G51T37-D47 PolarHBondContact OG1-OD1 3.47Å; D47-G51 PolarHBondContact O-N 2.82Å
48G97.6Very high96.4Very high27 Ų2742 Ų4228%0.27822%0.215SC..Hα-helixtrans-63.1-43.7176.400000112.8C46 F52 R85C46-G48 PolarHBondContact O-N 2.78Å; C46-G48 VanDerWaalsContact O-N 3.17Å; G48-F52 VanDerWaalsContact O-CB 3.25Å; G48-F52 WeakPolarHBondContact O-CB 3.27Å; G48-F52 PolarHBondContact O-N 3.09Å; G48-F52 VanDerWaalsContact O-N 3.08Å; G48-R85 PolarHBondContact O-NH2 2.88Å
49C98.3Very high96.4Very high0 Ų047.5 Ų47.50%023%0.229CC..Hα-helixtrans-78.4-35.7178.9-68.20000112.1I31 C46 F52 F53 R85I31-C49 HydrophobicContact CB-CB 4.31Å; I31-C49 HydrophobicContact CD1-CB 4.35Å; C46-C49 PolarHBondContact O-N 2.99Å; C46-C49 VanDerWaalsContact O-N 3.07Å; C49-F52 PolarHBondContact O-N 3.31Å; C49-F53 WeakPolarHBondContact O-CB 3.38Å; C49-F53 PolarHBondContact O-N 2.81Å; C49-R85 PolarHBondContact SG-NH2 2.86Å
50K97.7Very high96.1Very high72 Ų7244.3 Ų44.331%0.31323%0.226SC..Hα-helixtrans-53.7-56.1168.2173.8-168.8-172.2165.40111.4H40 Y41 C46 F52 F53 R54H40-K50 HydrophobicContact CB-CB 4.03Å; H40-K50 HydrophobicContact CB-CD 4.27Å; H40-K50 HydrophobicContact CB-CG 3.88Å; H40-K50 PolarHBondContact CE1-NZ 2.95Å; H40-K50 WeakPolarHBondContact ND1-CD 3.33Å; H40-K50 WeakPolarHBondContact ND1-CE 3.15Å; H40-K50 PolarHBondContact ND1-NZ 3.05Å; Y41-K50 HydrophobicContact CE2-CB 4.48Å; Y41-K50 HydrophobicContact CE2-CG 3.8Å; Y41-K50 WeakPolarHBondContact CE2-O 3.46Å; C46-K50 PolarHBondContact O-N 2.92Å; K50-F52 PolarHBondContact O-N 2.88Å; K50-F53 PolarHBondContact O-N 3.39Å; K50-R54 WeakPolarHBondContact O-CB 3.3Å; K50-R54 PolarHBondContact O-N 3.09Å
51G96.9Very high95.9Very high11 Ų1146.8 Ų46.811%0.11324%0.237CC..Hα-helixtrans-65-38.1-17800000112.8D47 R55D47-G51 PolarHBondContact O-N 2.82Å; G51-R55 WeakPolarHBondContact O-CG 3.42Å; G51-R55 PolarHBondContact O-N 2.64Å; G51-R55 VanDerWaalsContact O-N 3.11Å
52F98.2Very high95.7Very high11 Ų1151.3 Ų51.35%0.04827%0.269CS..Hα-helixtrans-60.6-54.3174.2172.4-100.3000111.5G48 C49 K50 R54 R55 S56 Y63 R82 R85 L86G48-F52 VanDerWaalsContact O-CB 3.25Å; G48-F52 WeakPolarHBondContact O-CB 3.27Å; G48-F52 PolarHBondContact O-N 3.09Å; G48-F52 VanDerWaalsContact O-N 3.08Å; C49-F52 PolarHBondContact O-N 3.31Å; K50-F52 PolarHBondContact O-N 2.88Å; F52-R54 PolarHBondContact O-N 2.93Å; F52-R55 PolarHBondContact O-N 2.9Å; F52-S56 PolarHBondContact O-N 3.26Å; F52-S56 PolarHBondContact O-OG 3.47Å; F52-S56 VanDerWaalsContact O-OG 3.04Å; F52-Y63 HydrophobicContact CE2-CE2 4.09Å; F52-Y63 HydrophobicContact CZ-CD2 4.43Å; F52-Y63 AromaticContact CZ-CE2 3.83Å; F52-Y63 HydrophobicContact CZ-CE2 3.83Å; F52-R82 HydrophobicContact CE2-CB 4.12Å; F52-R82 HydrophobicContact CE2-CG 4.09Å; F52-R82 HydrophobicContact CZ-CB 4.17Å; F52-R82 WeakPolarHBondContact CZ-O 3.47Å; F52-R85 VanDerWaalsContact CD1-CD 3.49Å; F52-R85 HydrophobicContact CD1-CG 3.91Å; F52-R85 HydrophobicContact CE1-CB 3.93Å; F52-R85 HydrophobicContact CE1-CG 3.7Å; F52-R85 HydrophobicContact CZ-CB 4.11Å; F52-R85 HydrophobicContact CZ-CG 4.25Å; F52-L86 HydrophobicContact CE1-CB 3.8Å; F52-L86 HydrophobicContact CE1-CD1 4.2Å; F52-L86 HydrophobicContact CZ-CB 3.98Å
53F98Very high95.8Very high0 Ų051.8 Ų51.80%026%0.259CS..Hα-helixtrans-57.6-47.6-179.9-170.9-101.7000111.5Y41 C49 K50 R55 S56 I57 L86 C89 F90 M94 K95 V99Y41-F53 AromaticContact CD2-CD1 3.67Å; Y41-F53 HydrophobicContact CD2-CD1 3.67Å; Y41-F53 HydrophobicContact CD2-CE1 4.42Å; Y41-F53 HydrophobicContact CD2-CG 4.49Å; Y41-F53 HydrophobicContact CE2-CD1 4.31Å; Y41-F53 AromaticContact CG-CD1 3.92Å; Y41-F53 HydrophobicContact CG-CD1 3.92Å; Y41-F53 HydrophobicContact CG-CE1 4.22Å; C49-F53 WeakPolarHBondContact O-CB 3.38Å; C49-F53 PolarHBondContact O-N 2.81Å; K50-F53 PolarHBondContact O-N 3.39Å; F53-R55 PolarHBondContact O-N 3.26Å; F53-S56 PolarHBondContact O-N 2.88Å; F53-I57 HydrophobicContact CD1-CG1 4.1Å; F53-I57 HydrophobicContact CD2-CG1 4.45Å; F53-I57 HydrophobicContact CE1-CG1 3.8Å; F53-I57 HydrophobicContact CE2-CD1 4.22Å; F53-I57 HydrophobicContact CE2-CG1 4.18Å; F53-I57 HydrophobicContact CG-CG1 4.42Å; F53-I57 HydrophobicContact CZ-CD1 4.12Å; F53-I57 HydrophobicContact CZ-CG1 3.85Å; F53-I57 WeakPolarHBondContact O-CG1 3.41Å; F53-I57 PolarHBondContact O-N 3.47Å; F53-L86 HydrophobicContact CD2-CD1 3.82Å; F53-L86 HydrophobicContact CE2-CD1 4.15Å; F53-C89 HydrophobicContact CD2-CB 3.48Å; F53-C89 VanDerWaalsContact CD2-CB 3.48Å; F53-C89 HydrophobicContact CE2-CB 3.93Å; F53-C89 HydrophobicContact CG-CB 4.42Å; F53-F90 AromaticContact CE2-CD1 3.93Å; F53-F90 HydrophobicContact CE2-CD1 3.93Å; F53-F90 AromaticContact CE2-CE1 3.64Å; F53-F90 HydrophobicContact CE2-CE1 3.64Å; F53-F90 HydrophobicContact CE2-CE2 4.46Å; F53-F90 HydrophobicContact CE2-CG 4.45Å; F53-F90 AromaticContact CE2-CZ 3.95Å; F53-F90 HydrophobicContact CE2-CZ 3.95Å; F53-F90 HydrophobicContact CZ-CD1 4.16Å; F53-F90 AromaticContact CZ-CE1 3.72Å; F53-F90 HydrophobicContact CZ-CE1 3.72Å; F53-F90 HydrophobicContact CZ-CZ 4.32Å; F53-M94 HydrophobicContact CB-SD 3.74Å; F53-M94 HydrophobicContact CD1-CB 4.12Å; F53-M94 HydrophobicContact CD1-SD 4.15Å; F53-M94 HydrophobicContact CD2-CB 3.96Å; F53-M94 HydrophobicContact CD2-SD 3.86Å; F53-M94 HydrophobicContact CE1-CB 3.81Å; F53-M94 HydrophobicContact CE2-CB 3.63Å; F53-M94 HydrophobicContact CE2-SD 4.5Å; F53-M94 HydrophobicContact CG-CB 4.19Å; F53-M94 HydrophobicContact CG-SD 3.65Å; F53-M94 HydrophobicContact CZ-CB 3.55Å; F53-K95 WeakPolarHBondContact CE1-O 3.21Å; F53-V99 HydrophobicContact CD1-CG2 3.95Å; F53-V99 HydrophobicContact CE1-CG2 3.79Å
54R96.6Very high95.8Very high97 Ų9756.9 Ų56.937%0.36629%0.29SS..Hα-helixtrans-53.8-49.2176.1-173.9178.666.1154.7-1.8112.6Y41 K50 F52 R58 V99Y41-R54 HydrophobicContact CE2-CB 4.25Å; Y41-R54 WeakPolarHBondContact OH-CB 3.45Å; Y41-R54 WeakPolarHBondContact OH-CD 3.33Å; K50-R54 WeakPolarHBondContact O-CB 3.3Å; K50-R54 PolarHBondContact O-N 3.09Å; F52-R54 PolarHBondContact O-N 2.93Å; R54-R58 WeakPolarHBondContact O-CB 3.46Å; R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.41Å; R54-V99 HydrophobicContact CG-CG1 4.12Å
55R96Very high95.8Very high133 Ų13356.2 Ų56.250%0.50229%0.285SS..Hα-helixtrans-67-41-179.3-73.6-174.6-61.9-94.6-0.7112G51 F52 F53 K59G51-R55 WeakPolarHBondContact O-CG 3.42Å; G51-R55 PolarHBondContact O-N 2.64Å; G51-R55 VanDerWaalsContact O-N 3.11Å; F52-R55 PolarHBondContact O-N 2.9Å; F53-R55 PolarHBondContact O-N 3.26Å; R55-K59 WeakPolarHBondContact O-CB 3.34Å; R55-K59 PolarHBondContact O-N 3.01Å
56S96.3Very high95.7Very high1 Ų167.5 Ų67.51%0.00733%0.328CS..Hα-helixtrans-64.6-41179.3-60.40000112F52 F53 S60 H61 Y63F52-S56 PolarHBondContact O-N 3.26Å; F52-S56 PolarHBondContact O-OG 3.47Å; F52-S56 VanDerWaalsContact O-OG 3.04Å; F53-S56 PolarHBondContact O-N 2.88Å; S56-S60 PolarHBondContact O-N 3.2Å; S56-H61 PolarHBondContact O-N 3.24Å; S56-Y63 VanDerWaalsContact OG-CE2 3.3Å; S56-Y63 WeakPolarHBondContact OG-CE2 3.46Å; S56-Y63 PolarHBondContact OG-OH 2.79Å
57I96Very high95.6Very high21 Ų2173.7 Ų73.711%0.10836%0.355CS..Hα-helixtrans-71-49.1176.9-65.1-44000112.1F53 K59 S60 F90 K96 V99F53-I57 HydrophobicContact CD1-CG1 4.1Å; F53-I57 HydrophobicContact CD2-CG1 4.45Å; F53-I57 HydrophobicContact CE1-CG1 3.8Å; F53-I57 HydrophobicContact CE2-CD1 4.22Å; F53-I57 HydrophobicContact CE2-CG1 4.18Å; F53-I57 HydrophobicContact CG-CG1 4.42Å; F53-I57 HydrophobicContact CZ-CD1 4.12Å; F53-I57 HydrophobicContact CZ-CG1 3.85Å; F53-I57 WeakPolarHBondContact O-CG1 3.41Å; F53-I57 PolarHBondContact O-N 3.47Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 2.9Å; I57-S60 PolarHBondContact O-N 3.31Å; I57-F90 HydrophobicContact CD1-CE1 4.33Å; I57-F90 HydrophobicContact CD1-CZ 3.77Å; I57-K96 HydrophobicContact CB-CG 4.48Å; I57-K96 HydrophobicContact CD1-CB 4.25Å; I57-K96 HydrophobicContact CD1-CD 4.22Å; I57-K96 HydrophobicContact CD1-CG 3.86Å; I57-K96 HydrophobicContact CG1-CG 4.17Å; I57-K96 HydrophobicContact CG2-CD 4.36Å; I57-K96 HydrophobicContact CG2-CG 3.55Å; I57-V99 HydrophobicContact CB-CB 4.35Å; I57-V99 HydrophobicContact CB-CG1 4.32Å; I57-V99 HydrophobicContact CB-CG2 4.04Å; I57-V99 HydrophobicContact CG1-CG2 4.13Å; I57-V99 HydrophobicContact CG2-CB 3.83Å; I57-V99 HydrophobicContact CG2-CG1 4.05Å; I57-V99 HydrophobicContact CG2-CG2 3.95Å
58R90.4Very high95.5Very high88 Ų8873.4 Ų73.433%0.33236%0.36SS..Hα-helixtrans-60.8-39.5-177-77.2-176.8178.5176.7-6.6113.4R54 S60 V99 Q100 N101R54-R58 WeakPolarHBondContact O-CB 3.46Å; R54-R58 WeakPolarHBondContact O-CG 3.45Å; R54-R58 PolarHBondContact O-N 3.41Å; R58-S60 VanDerWaalsContact C-N 3.28Å; R58-V99 HydrophobicContact CG-CG1 3.93Å; R58-Q100 PolarHBondContact NE-O 2.89Å; R58-Q100 VanDerWaalsContact NE-O 3.17Å; R58-Q100 PolarHBondContact NH2-O 3.42Å; R58-N101 PolarHBondContact NH2-O 3.34Å
59K91.4Very high95.4Very high148 Ų14879.9 Ų79.964%0.64338%0.376SS*.THydrogen-bonded Turntrans-89.16.3178.6-64.5-172.7173.9-166.10112.9R55 I57 H61R55-K59 WeakPolarHBondContact O-CB 3.34Å; R55-K59 PolarHBondContact O-N 3.01Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 2.9Å; K59-H61 VanDerWaalsContact CB-CD2 3.48Å; K59-H61 WeakPolarHBondContact CB-CD2 3.4Å; K59-H61 WeakPolarHBondContact CB-NE2 3.28Å; K59-H61 VanDerWaalsContact CD-NE2 3.32Å; K59-H61 WeakPolarHBondContact CD-NE2 3.42Å; K59-H61 PolarHBondContact O-N 2.96Å; K59-H61 VanDerWaalsContact O-N 3.09Å
60S90.6Very high95.3Very high85 Ų8587.7 Ų87.759%0.59441%0.412SS*.THydrogen-bonded Turntrans45.642.3-175.6-65.60000112.9S56 I57 R58 V62S56-S60 PolarHBondContact O-N 3.2Å; I57-S60 PolarHBondContact O-N 3.31Å; R58-S60 VanDerWaalsContact C-N 3.28Å; S60-V62 PolarHBondContact O-N 3.06Å
61H92.6Very high95.2Very high81 Ų8185.6 Ų85.638%0.37541%0.407SS..PPolyproline II helixtrans-68.3126.1-175.1-81.1-56.3000111.2S56 K59 Y63S56-H61 PolarHBondContact O-N 3.24Å; K59-H61 VanDerWaalsContact CB-CD2 3.48Å; K59-H61 WeakPolarHBondContact CB-CD2 3.4Å; K59-H61 WeakPolarHBondContact CB-NE2 3.28Å; K59-H61 VanDerWaalsContact CD-NE2 3.32Å; K59-H61 WeakPolarHBondContact CD-NE2 3.42Å; K59-H61 PolarHBondContact O-N 2.96Å; K59-H61 VanDerWaalsContact O-N 3.09Å; H61-Y63 HydrophobicContact CB-CD1 4.46Å; H61-Y63 HydrophobicContact CB-CE1 3.74Å; H61-Y63 HydrophobicContact CB-CE2 4.05Å; H61-Y63 VanDerWaalsContact CB-CZ 3.49Å; H61-Y63 WeakPolarHBondContact CB-OH 3.19Å; H61-Y63 PolarHBondContact CD2-OH 3.21Å; H61-Y63 AromaticContact CG-CZ 3.97Å
62V93.3Very high95.2Very high136 Ų13690 Ų9082%0.82443%0.431SS*.PPolyproline II helixtrans-97.4118.7167.2-175.80000108S60S60-V62 PolarHBondContact O-N 3.06Å
63Y96.6Very high95.2Very high47 Ų4789.9 Ų89.918%0.18443%0.432CS..PPolyproline II helixtrans-103.3155.3176.6-58.2-55.5000110.6F52 S56 H61 R82 F83 L86F52-Y63 HydrophobicContact CE2-CE2 4.09Å; F52-Y63 HydrophobicContact CZ-CD2 4.43Å; F52-Y63 AromaticContact CZ-CE2 3.83Å; F52-Y63 HydrophobicContact CZ-CE2 3.83Å; S56-Y63 VanDerWaalsContact OG-CE2 3.3Å; S56-Y63 WeakPolarHBondContact OG-CE2 3.46Å; S56-Y63 PolarHBondContact OG-OH 2.79Å; H61-Y63 HydrophobicContact CB-CD1 4.46Å; H61-Y63 HydrophobicContact CB-CE1 3.74Å; H61-Y63 HydrophobicContact CB-CE2 4.05Å; H61-Y63 VanDerWaalsContact CB-CZ 3.49Å; H61-Y63 WeakPolarHBondContact CB-OH 3.19Å; H61-Y63 PolarHBondContact CD2-OH 3.21Å; H61-Y63 AromaticContact CG-CZ 3.97Å; Y63-R82 HydrophobicContact CD1-CB 3.8Å; Y63-R82 HydrophobicContact CD2-CB 3.75Å; Y63-R82 HydrophobicContact CE1-CB 4.06Å; Y63-R82 HydrophobicContact CE2-CB 3.99Å; Y63-R82 HydrophobicContact CG-CB 3.66Å; Y63-F83 WeakPolarHBondContact O-CD2 3.39Å; Y63-L86 HydrophobicContact CD2-CB 4.17Å; Y63-L86 HydrophobicContact CD2-CD2 3.77Å; Y63-L86 HydrophobicContact CE2-CB 4.44Å; Y63-L86 HydrophobicContact CE2-CD2 3.92Å
64T95.8Very high95.1Very high113 Ų11392.1 Ų92.169%0.69344%0.443SS*.  trans-122.4135.4173.6-55.70000109.6
65C97.3Very high95.1Very high13 Ų1393.2 Ų93.29%0.08845%0.451CS..  trans-78.7136.6170.6-1690000110.1F67 R69 C71 C81 F83C65-F67 VanDerWaalsContact C-N 3.31Å; C65-F67 PolarHBondContact SG-N 3.49Å; C65-F67 VanDerWaalsContact SG-N 3.35Å; C65-R69 HydrophobicContact CB-CB 4.46Å; C65-R69 HydrophobicContact CB-CG 3.76Å; C65-C71 VanDerWaalsContact SG-SG 3.61Å; C65-C81 VanDerWaalsContact SG-SG 3.65Å; C65-F83 HydrophobicContact CB-CB 4.1Å; C65-F83 HydrophobicContact CB-CD1 3.6Å; C65-F83 HydrophobicContact CB-CE1 4.31Å; C65-F83 HydrophobicContact CB-CG 3.97Å
66R96.1Very high95.1Very high237 Ų23793.3 Ų93.389%0.89446%0.461SS*.SBendtrans-85.9-2.7174.4-62.3-177.3178.6175.8-2.7113.7
67F94.6Very high95Very high133 Ų13399.4 Ų99.458%0.58349%0.488SS*.SBendtrans-127.4-158.4-177.1-51.6-74.1000110C65 R69C65-F67 VanDerWaalsContact C-N 3.31Å; C65-F67 PolarHBondContact SG-N 3.49Å; C65-F67 VanDerWaalsContact SG-N 3.35Å; F67-R69 PolarHBondContact O-N 3.04Å
68S95.3Very high95Very high88 Ų88100.5 Ų100.562%0.61549%0.491SS*.SBendtrans-73.719.5-177.959.40000116Q70S68-Q70 WeakPolarHBondContact O-CG 3.44Å; S68-Q70 PolarHBondContact O-N 3.45Å; S68-Q70 VanDerWaalsContact O-N 3.09Å
69R95.3Very high95.3Very high163 Ų163102 Ų10262%0.61551%0.505SS*.SBendtrans57.719.1-175.9-60.3-179.5-178.6-157.81.2114.9C65 F67 F83 C84C65-R69 HydrophobicContact CB-CB 4.46Å; C65-R69 HydrophobicContact CB-CG 3.76Å; F67-R69 PolarHBondContact O-N 3.04Å; R69-F83 HydrophobicContact CB-CD1 4.44Å; R69-F83 HydrophobicContact CB-CE1 3.81Å; R69-F83 HydrophobicContact CG-CD1 4.19Å; R69-F83 HydrophobicContact CG-CE1 3.58Å; R69-F83 HydrophobicContact CG-CZ 4.18Å; R69-C84 VanDerWaalsContact C-SG 3.59Å
70Q95.8Very high95.5Very high163 Ų163101.7 Ų101.776%0.76251%0.506SS*.  trans-11928.7-179.5-65.4173.615.700112.5S68 V72S68-Q70 WeakPolarHBondContact O-CG 3.44Å; S68-Q70 PolarHBondContact O-N 3.45Å; S68-Q70 VanDerWaalsContact O-N 3.09Å; Q70-V72 PolarHBondContact O-N 3.48Å
71C97.3Very high95.9Very high29 Ų2998.2 Ų98.220%0.19648%0.481CS..  trans-63.2135.1-179.3-530000111.3C65 V73 C81 C84C65-C71 VanDerWaalsContact SG-SG 3.61Å; C71-V73 PolarHBondContact O-N 3.29Å; C71-C81 HydrophobicContact CB-CB 3.84Å; C71-C84 HydrophobicContact CB-CB 3.86Å; C71-C84 VanDerWaalsContact SG-SG 3.63Å
72V96.5Very high96.1Very high102 Ų102101.9 Ų101.962%0.61849%0.492SS*.  trans-64133173.4-178.80000109.9Q70 D74Q70-V72 PolarHBondContact O-N 3.48Å; V72-D74 HydrophobicContact CG1-CB 4.45Å; V72-D74 WeakPolarHBondContact CG1-OD2 3.47Å
73V97.5Very high96.4Very high10 Ų1097.4 Ų97.46%0.06146%0.461CS..  trans-120.896.2176.9-178.90000107.7I31 C32 C71 R78 C84 R85 K88I31-V73 HydrophobicContact CG2-CG1 4.06Å; I31-V73 WeakPolarHBondContact O-CG1 3.29Å; C32-V73 HydrophobicContact CB-CG1 4.23Å; C71-V73 PolarHBondContact O-N 3.29Å; V73-R78 HydrophobicContact CG1-CB 3.97Å; V73-C84 HydrophobicContact CG2-CB 4.27Å; V73-R85 HydrophobicContact CG1-CB 4.48Å; V73-R85 HydrophobicContact CG1-CG 4.18Å; V73-R85 HydrophobicContact CG2-CB 4.49Å; V73-K88 HydrophobicContact CB-CD 3.76Å; V73-K88 HydrophobicContact CG1-CD 4.17Å; V73-K88 HydrophobicContact CG2-CD 4.22Å; V73-K88 PolarHBondContact O-NZ 2.94Å
74D96.8Very high96.5Very high46 Ų4695.6 Ų95.625%0.24646%0.455CS..  trans-121.8-177.2175.558.942.2000110.2C32 V72 D76 K77 R78C32-D74 CarbonylContact O-C 3.24Å; C32-D74 VanDerWaalsContact O-C 3.24Å; C32-D74 WeakPolarHBondContact O-CA 3.28Å; V72-D74 HydrophobicContact CG1-CB 4.45Å; V72-D74 WeakPolarHBondContact CG1-OD2 3.47Å; D74-D76 VanDerWaalsContact C-N 3.28Å; D74-D76 PolarHBondContact O-N 3.1Å; D74-D76 PolarHBondContact OD1-N 2.95Å; D74-D76 VanDerWaalsContact OD1-N 3.11Å; D74-K77 WeakPolarHBondContact OD1-CA 3.48Å; D74-K77 VanDerWaalsContact OD1-CB 3.31Å; D74-K77 WeakPolarHBondContact OD1-CB 3.41Å; D74-K77 PolarHBondContact OD1-N 3.37Å; D74-R78 WeakPolarHBondContact O-CB 3.35Å; D74-R78 PolarHBondContact O-N 3.49Å
75K95.7Very high96.6Very high120 Ų12090.7 Ų90.752%0.52242%0.424SS..THydrogen-bonded Turntrans-56.2-42.2-175.8-178.1-178.7176.7-174.30112.3C32 D34C32-K75 PolarHBondContact O-N 3.32Å; D34-K75 HydrophobicContact CB-CB 4.45Å; D34-K75 HydrophobicContact CB-CG 4.18Å
76D95.3Very high96.6Very high136 Ų13691 Ų9173%0.72743%0.425SS*.THydrogen-bonded Turntrans-88.6-34.9-170.3-53.6-51.6000111.8D74D74-D76 VanDerWaalsContact C-N 3.28Å; D74-D76 PolarHBondContact O-N 3.1Å; D74-D76 PolarHBondContact OD1-N 2.95Å; D74-D76 VanDerWaalsContact OD1-N 3.11Å
77K94.8Very high96.7Very high128 Ų12883.1 Ų83.156%0.55740%0.4SS*.THydrogen-bonded Turntrans-105.13-173.2-57.1179-174.8176.30113.8D74 N79 Q80D74-K77 WeakPolarHBondContact OD1-CA 3.48Å; D74-K77 VanDerWaalsContact OD1-CB 3.31Å; D74-K77 WeakPolarHBondContact OD1-CB 3.41Å; D74-K77 PolarHBondContact OD1-N 3.37Å; K77-N79 PolarHBondContact O-N 3.2Å; K77-Q80 VanDerWaalsContact O-CB 3.24Å; K77-Q80 WeakPolarHBondContact O-CB 3.26Å; K77-Q80 PolarHBondContact O-N 3.06Å
78R96.8Very high96.9Very high45 Ų4580.1 Ų80.117%0.1739%0.387CS..THydrogen-bonded Turntrans-55.1-21.7177.260.7-170-171.2-167.6-4.5114.8C32 D34 C46 V73 D74 R85C32-R78 HydrophobicContact CB-CB 4.09Å; C32-R78 PolarHBondContact SG-NH1 2.86Å; D34-R78 IonicContact OD2-CZ 2.74Å; D34-R78 IonicContact OD2-NH1 3.15Å; D34-R78 PolarHBondContact OD2-NH1 3.15Å; D34-R78 IonicContact OD2-NH2 3.27Å; C46-R78 PolarHBondContact SG-NH1 3.35Å; V73-R78 HydrophobicContact CG1-CB 3.97Å; D74-R78 WeakPolarHBondContact O-CB 3.35Å; D74-R78 PolarHBondContact O-N 3.49Å; R78-R85 VanDerWaalsContact O-CD 3.29Å; R78-R85 WeakPolarHBondContact O-CD 3.17Å
79N96.6Very high97Very high118 Ų11876 Ų7663%0.63136%0.358SS*.THydrogen-bonded Turntrans-88.7-9.8178.7-66.2-27.9000113.8K77 C81 R85K77-N79 PolarHBondContact O-N 3.2Å; N79-C81 PolarHBondContact O-N 3.46Å; N79-R85 PolarHBondContact OD1-NH1 3.19Å
80Q96.3Very high97.1Very high143 Ų14372.3 Ų72.367%0.66835%0.347SS*.SBendtrans-66.6-36.7-174.8-170.763.724.500113K77K77-Q80 VanDerWaalsContact O-CB 3.24Å; K77-Q80 WeakPolarHBondContact O-CB 3.26Å; K77-Q80 PolarHBondContact O-N 3.06Å
81C97.8Very high97.2Very high11 Ų1174.3 Ų74.37%0.07435%0.347CS..  trans-139.4105.8-179.9-173.20000111.7C65 C71 N79 F83 C84 R85C65-C81 VanDerWaalsContact SG-SG 3.65Å; C71-C81 HydrophobicContact CB-CB 3.84Å; N79-C81 PolarHBondContact O-N 3.46Å; C81-F83 VanDerWaalsContact C-N 3.32Å; C81-F83 PolarHBondContact O-N 3.46Å; C81-C84 HydrophobicContact CB-CB 4.13Å; C81-C84 PolarHBondContact O-N 2.71Å; C81-C84 VanDerWaalsContact SG-SG 3.61Å; C81-R85 WeakPolarHBondContact O-CB 3.43Å; C81-R85 PolarHBondContact O-N 3.46Å
82R97.8Very high97.2Very high159 Ų15974.3 Ų74.360%0.635%0.35SS*.Hα-helixtrans-64.3-34.8178.3-63.7-178175.8121.2-0.8112.6F52 Y63 L86F52-R82 HydrophobicContact CE2-CB 4.12Å; F52-R82 HydrophobicContact CE2-CG 4.09Å; F52-R82 HydrophobicContact CZ-CB 4.17Å; F52-R82 WeakPolarHBondContact CZ-O 3.47Å; Y63-R82 HydrophobicContact CD1-CB 3.8Å; Y63-R82 HydrophobicContact CD2-CB 3.75Å; Y63-R82 HydrophobicContact CE1-CB 4.06Å; Y63-R82 HydrophobicContact CE2-CB 3.99Å; Y63-R82 HydrophobicContact CG-CB 3.66Å; R82-L86 WeakPolarHBondContact O-CB 3.46Å; R82-L86 PolarHBondContact O-N 3.42Å
83F98.3Very high97.2Very high42 Ų4271.2 Ų71.218%0.18434%0.338CS..Hα-helixtrans-60.6-56.7175.5175.4-91000111.5Y63 C65 R69 C81 R85 L86 N87Y63-F83 WeakPolarHBondContact O-CD2 3.39Å; C65-F83 HydrophobicContact CB-CB 4.1Å; C65-F83 HydrophobicContact CB-CD1 3.6Å; C65-F83 HydrophobicContact CB-CE1 4.31Å; C65-F83 HydrophobicContact CB-CG 3.97Å; R69-F83 HydrophobicContact CB-CD1 4.44Å; R69-F83 HydrophobicContact CB-CE1 3.81Å; R69-F83 HydrophobicContact CG-CD1 4.19Å; R69-F83 HydrophobicContact CG-CE1 3.58Å; R69-F83 HydrophobicContact CG-CZ 4.18Å; C81-F83 VanDerWaalsContact C-N 3.32Å; C81-F83 PolarHBondContact O-N 3.46Å; F83-R85 VanDerWaalsContact C-N 3.28Å; F83-R85 PolarHBondContact O-N 3.39Å; F83-L86 PolarHBondContact O-N 3.31Å; F83-N87 WeakPolarHBondContact O-CB 3.27Å; F83-N87 PolarHBondContact O-N 2.82Å
84C98.3Very high97.2Very high8 Ų871 Ų715%0.05434%0.336CS..Hα-helixtrans-63.8-35.9-178.2-65.80000111.6R69 C71 V73 C81 K88R69-C84 VanDerWaalsContact C-SG 3.59Å; C71-C84 HydrophobicContact CB-CB 3.86Å; C71-C84 VanDerWaalsContact SG-SG 3.63Å; V73-C84 HydrophobicContact CG2-CB 4.27Å; C81-C84 HydrophobicContact CB-CB 4.13Å; C81-C84 PolarHBondContact O-N 2.71Å; C81-C84 VanDerWaalsContact SG-SG 3.61Å; C84-K88 VanDerWaalsContact O-CB 3.29Å; C84-K88 WeakPolarHBondContact O-CB 3.38Å; C84-K88 PolarHBondContact O-N 3.03Å
85R98.4Very high97.2Very high10 Ų1074.2 Ų74.24%0.03835%0.348CS..Hα-helixtrans-63.6-48.4174.5-169-170.4-169.9162.2-2.7112.3I31 G48 C49 F52 V73 R78 N79 C81 F83 K88 C89I31-R85 HydrophobicContact CG2-CG 4.39Å; G48-R85 PolarHBondContact O-NH2 2.88Å; C49-R85 PolarHBondContact SG-NH2 2.86Å; F52-R85 VanDerWaalsContact CD1-CD 3.49Å; F52-R85 HydrophobicContact CD1-CG 3.91Å; F52-R85 HydrophobicContact CE1-CB 3.93Å; F52-R85 HydrophobicContact CE1-CG 3.7Å; F52-R85 HydrophobicContact CZ-CB 4.11Å; F52-R85 HydrophobicContact CZ-CG 4.25Å; V73-R85 HydrophobicContact CG1-CB 4.48Å; V73-R85 HydrophobicContact CG1-CG 4.18Å; V73-R85 HydrophobicContact CG2-CB 4.49Å; R78-R85 VanDerWaalsContact O-CD 3.29Å; R78-R85 WeakPolarHBondContact O-CD 3.17Å; N79-R85 PolarHBondContact OD1-NH1 3.19Å; C81-R85 WeakPolarHBondContact O-CB 3.43Å; C81-R85 PolarHBondContact O-N 3.46Å; F83-R85 VanDerWaalsContact C-N 3.28Å; F83-R85 PolarHBondContact O-N 3.39Å; R85-K88 PolarHBondContact O-N 3.44Å; R85-C89 PolarHBondContact O-N 3.03Å; R85-C89 PolarHBondContact O-SG 3.45Å
86L98.2Very high97.2Very high19 Ų1973.9 Ų73.910%0.09935%0.347CS..Hα-helixtrans-65.4-41.7179.6-176.561.4000111.4F52 F53 Y63 R82 F83 K88 C89 F90F52-L86 HydrophobicContact CE1-CB 3.8Å; F52-L86 HydrophobicContact CE1-CD1 4.2Å; F52-L86 HydrophobicContact CZ-CB 3.98Å; F53-L86 HydrophobicContact CD2-CD1 3.82Å; F53-L86 HydrophobicContact CE2-CD1 4.15Å; Y63-L86 HydrophobicContact CD2-CB 4.17Å; Y63-L86 HydrophobicContact CD2-CD2 3.77Å; Y63-L86 HydrophobicContact CE2-CB 4.44Å; Y63-L86 HydrophobicContact CE2-CD2 3.92Å; R82-L86 WeakPolarHBondContact O-CB 3.46Å; R82-L86 PolarHBondContact O-N 3.42Å; F83-L86 PolarHBondContact O-N 3.31Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.11Å; L86-C89 VanDerWaalsContact O-CB 3.3Å; L86-C89 WeakPolarHBondContact O-CB 3.28Å; L86-C89 PolarHBondContact O-N 2.92Å; L86-C89 VanDerWaalsContact O-N 3.16Å; L86-F90 HydrophobicContact CD1-CE2 4Å; L86-F90 HydrophobicContact CD1-CZ 4.48Å; L86-F90 HydrophobicContact CD2-CE2 4.36Å; L86-F90 HydrophobicContact CG-CD2 4.32Å; L86-F90 HydrophobicContact CG-CE2 3.83Å; L86-F90 VanDerWaalsContact O-CD2 3.3Å; L86-F90 WeakPolarHBondContact O-CD2 3.33Å; L86-F90 PolarHBondContact O-N 3.08Å
87N97.7Very high97Very high72 Ų7274.2 Ų74.239%0.38534%0.344SS..Hα-helixtrans-61-40.5174.6-167.546000111.6F83 C89 F90 R91F83-N87 WeakPolarHBondContact O-CB 3.27Å; F83-N87 PolarHBondContact O-N 2.82Å; N87-C89 VanDerWaalsContact C-N 3.35Å; N87-C89 PolarHBondContact O-N 3.4Å; N87-F90 PolarHBondContact O-N 3.24Å; N87-R91 WeakPolarHBondContact O-CG 3.44Å; N87-R91 PolarHBondContact O-N 3.1Å
88K98.1Very high96.9Very high71 Ų7170.2 Ų70.231%0.30934%0.335SS..Hα-helixtrans-67.4-32.9175.7-164.4172.1-177.9-1720112.6I31 V73 C84 R85 L86 R91 A92I31-K88 HydrophobicContact CG2-CB 4.34Å; I31-K88 HydrophobicContact CG2-CD 4.4Å; I31-K88 HydrophobicContact CG2-CG 4.3Å; I31-K88 WeakPolarHBondContact O-CD 3.13Å; I31-K88 WeakPolarHBondContact O-CE 3.46Å; I31-K88 PolarHBondContact O-NZ 2.95Å; V73-K88 HydrophobicContact CB-CD 3.76Å; V73-K88 HydrophobicContact CG1-CD 4.17Å; V73-K88 HydrophobicContact CG2-CD 4.22Å; V73-K88 PolarHBondContact O-NZ 2.94Å; C84-K88 VanDerWaalsContact O-CB 3.29Å; C84-K88 WeakPolarHBondContact O-CB 3.38Å; C84-K88 PolarHBondContact O-N 3.03Å; R85-K88 PolarHBondContact O-N 3.44Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.11Å; K88-R91 PolarHBondContact O-N 2.66Å; K88-A92 VanDerWaalsContact O-CB 3.31Å; K88-A92 WeakPolarHBondContact O-CB 3.33Å; K88-A92 PolarHBondContact O-N 2.96Å
89C98.3Very high96.7Very high0 Ų068.9 Ų68.90%033%0.332CS..Hα-helixtrans-58.2-48.7171-69.50000111.7F53 R85 L86 N87 A92 G93 M94F53-C89 HydrophobicContact CD2-CB 3.48Å; F53-C89 VanDerWaalsContact CD2-CB 3.48Å; F53-C89 HydrophobicContact CE2-CB 3.93Å; F53-C89 HydrophobicContact CG-CB 4.42Å; R85-C89 PolarHBondContact O-N 3.03Å; R85-C89 PolarHBondContact O-SG 3.45Å; L86-C89 VanDerWaalsContact O-CB 3.3Å; L86-C89 WeakPolarHBondContact O-CB 3.28Å; L86-C89 PolarHBondContact O-N 2.92Å; L86-C89 VanDerWaalsContact O-N 3.16Å; N87-C89 VanDerWaalsContact C-N 3.35Å; N87-C89 PolarHBondContact O-N 3.4Å; C89-A92 PolarHBondContact O-N 2.99Å; C89-G93 PolarHBondContact O-N 2.98Å; C89-M94 HydrophobicContact CB-CB 4.28Å; C89-M94 HydrophobicContact CB-CG 4.3Å; C89-M94 HydrophobicContact CB-SD 3.61Å; C89-M94 VanDerWaalsContact O-CB 3.29Å; C89-M94 WeakPolarHBondContact O-CB 3.25Å; C89-M94 PolarHBondContact O-N 3Å
90F98Very high96.2Very high87 Ų8769.8 Ų69.838%0.38233%0.332SS..Hα-helixtrans-63.3-45.1176.9-70.6-61.5000112.3F53 I57 L86 N87 A92 G93 M94 K96F53-F90 AromaticContact CE2-CD1 3.93Å; F53-F90 HydrophobicContact CE2-CD1 3.93Å; F53-F90 AromaticContact CE2-CE1 3.64Å; F53-F90 HydrophobicContact CE2-CE1 3.64Å; F53-F90 HydrophobicContact CE2-CE2 4.46Å; F53-F90 HydrophobicContact CE2-CG 4.45Å; F53-F90 AromaticContact CE2-CZ 3.95Å; F53-F90 HydrophobicContact CE2-CZ 3.95Å; F53-F90 HydrophobicContact CZ-CD1 4.16Å; F53-F90 AromaticContact CZ-CE1 3.72Å; F53-F90 HydrophobicContact CZ-CE1 3.72Å; F53-F90 HydrophobicContact CZ-CZ 4.32Å; I57-F90 HydrophobicContact CD1-CE1 4.33Å; I57-F90 HydrophobicContact CD1-CZ 3.77Å; L86-F90 HydrophobicContact CD1-CE2 4Å; L86-F90 HydrophobicContact CD1-CZ 4.48Å; L86-F90 HydrophobicContact CD2-CE2 4.36Å; L86-F90 HydrophobicContact CG-CD2 4.32Å; L86-F90 HydrophobicContact CG-CE2 3.83Å; L86-F90 VanDerWaalsContact O-CD2 3.3Å; L86-F90 WeakPolarHBondContact O-CD2 3.33Å; L86-F90 PolarHBondContact O-N 3.08Å; N87-F90 PolarHBondContact O-N 3.24Å; F90-A92 PolarHBondContact O-N 3.41Å; F90-G93 PolarHBondContact O-N 2.91Å; F90-M94 WeakPolarHBondContact CD1-O 3.45Å; F90-K96 HydrophobicContact CE1-CB 4.32Å
91R97.3Very high95.4Very high204 Ų20469.6 Ų69.677%0.7734%0.335SS*.Hα-helixtrans-60.6-31.3176.6-71.7177.263.9-168.30.2113.4N87 K88 G93N87-R91 WeakPolarHBondContact O-CG 3.44Å; N87-R91 PolarHBondContact O-N 3.1Å; K88-R91 PolarHBondContact O-N 2.66Å; R91-G93 PolarHBondContact O-N 2.89Å
92A96.6Very high94.4Very high30 Ų3076.8 Ų76.825%0.24837%0.368CS..THydrogen-bonded Turntrans-78.4-2.2175.500000113.5A30 I31 A43 K88 C89 F90A30-A92 HydrophobicContact CB-CB 4.05Å; I31-A92 HydrophobicContact CD1-CB 4.15Å; I31-A92 HydrophobicContact CG1-CB 4.03Å; A43-A92 HydrophobicContact CB-CB 4.37Å; A43-A92 WeakPolarHBondContact CB-O 3.21Å; K88-A92 VanDerWaalsContact O-CB 3.31Å; K88-A92 WeakPolarHBondContact O-CB 3.33Å; K88-A92 PolarHBondContact O-N 2.96Å; C89-A92 PolarHBondContact O-N 2.99Å; F90-A92 PolarHBondContact O-N 3.41Å
93G96.6Very high93.4Very high36 Ų3678.1 Ų78.137%0.37137%0.373SS..THydrogen-bonded Turntrans9516.7177.500000115.1C89 F90 R91 K95C89-G93 PolarHBondContact O-N 2.98Å; F90-G93 PolarHBondContact O-N 2.91Å; R91-G93 PolarHBondContact O-N 2.89Å; G93-K95 PolarHBondContact O-N 2.85Å
94M98Very high91.8Very high5 Ų583.4 Ų83.43%0.02540%0.403CS..  trans-72124.9171.4-67.4-173.715800111I31 Y41 A43 S45 F53 C89 F90I31-M94 HydrophobicContact CD1-CE 3.73Å; I31-M94 HydrophobicContact CD1-SD 4.3Å; Y41-M94 CarbonylContact O-C 3.48Å; Y41-M94 VanDerWaalsContact O-CA 3.32Å; Y41-M94 WeakPolarHBondContact O-CA 3.47Å; A43-M94 HydrophobicContact CB-CG 3.77Å; S45-M94 WeakPolarHBondContact OG-CE 3.44Å; F53-M94 HydrophobicContact CB-SD 3.74Å; F53-M94 HydrophobicContact CD1-CB 4.12Å; F53-M94 HydrophobicContact CD1-SD 4.15Å; F53-M94 HydrophobicContact CD2-CB 3.96Å; F53-M94 HydrophobicContact CD2-SD 3.86Å; F53-M94 HydrophobicContact CE1-CB 3.81Å; F53-M94 HydrophobicContact CE2-CB 3.63Å; F53-M94 HydrophobicContact CE2-SD 4.5Å; F53-M94 HydrophobicContact CG-CB 4.19Å; F53-M94 HydrophobicContact CG-SD 3.65Å; F53-M94 HydrophobicContact CZ-CB 3.55Å; C89-M94 HydrophobicContact CB-CB 4.28Å; C89-M94 HydrophobicContact CB-CG 4.3Å; C89-M94 HydrophobicContact CB-SD 3.61Å; C89-M94 VanDerWaalsContact O-CB 3.29Å; C89-M94 WeakPolarHBondContact O-CB 3.25Å; C89-M94 PolarHBondContact O-N 3Å; F90-M94 WeakPolarHBondContact CD1-O 3.45Å
95K96.4Very high90.5Very high115 Ų11592.7 Ų92.750%0.544%0.437SS..  trans-96.8125-174.8-74.9-178172.4-160.80111.2Y41 F53 G93 E97 A98Y41-K95 PolarHBondContact O-N 3.12Å; F53-K95 WeakPolarHBondContact CE1-O 3.21Å; G93-K95 PolarHBondContact O-N 2.85Å; K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CG 4.28Å; K95-E97 WeakPolarHBondContact CB-OE1 3.24Å; K95-E97 VanDerWaalsContact CD-OE1 3.27Å; K95-E97 WeakPolarHBondContact CD-OE1 3.32Å; K95-E97 WeakPolarHBondContact CG-OE1 3.38Å; K95-E97 PolarHBondContact O-N 3.1Å; K95-A98 HydrophobicContact CB-CB 4Å; K95-A98 WeakPolarHBondContact O-CB 3.5Å; K95-A98 PolarHBondContact O-N 3.23Å
96K95Very high89Confident113 Ų113100 Ų10049%0.49148%0.475SS..G310 helixtrans-62.8-41.1179.7179.5177.9177.7-174.10110.7I57 F90 A98 V99I57-K96 HydrophobicContact CB-CG 4.48Å; I57-K96 HydrophobicContact CD1-CB 4.25Å; I57-K96 HydrophobicContact CD1-CD 4.22Å; I57-K96 HydrophobicContact CD1-CG 3.86Å; I57-K96 HydrophobicContact CG1-CG 4.17Å; I57-K96 HydrophobicContact CG2-CD 4.36Å; I57-K96 HydrophobicContact CG2-CG 3.55Å; F90-K96 HydrophobicContact CE1-CB 4.32Å; K96-A98 PolarHBondContact O-N 3.05Å; K96-V99 WeakPolarHBondContact O-CB 3.15Å; K96-V99 PolarHBondContact O-N 3.29Å; K96-V99 VanDerWaalsContact O-N 3.09Å
97E92.3Very high87Confident143 Ų143102.4 Ų102.467%0.66849%0.494SS*.G310 helixtrans-64-20.8179.266.9-83.5-165.100113.5K95 V99K95-E97 VanDerWaalsContact C-N 3.29Å; K95-E97 HydrophobicContact CB-CG 4.28Å; K95-E97 WeakPolarHBondContact CB-OE1 3.24Å; K95-E97 VanDerWaalsContact CD-OE1 3.27Å; K95-E97 WeakPolarHBondContact CD-OE1 3.32Å; K95-E97 WeakPolarHBondContact CG-OE1 3.38Å; K95-E97 PolarHBondContact O-N 3.1Å; E97-V99 PolarHBondContact O-N 2.93Å
98A92.7Very high84.9Confident44 Ų44105.1 Ų105.136%0.36452%0.518SS..G310 helixtrans-78.6-5.317500000113.1Y41 K95 K96 Q100Y41-A98 HydrophobicContact CD1-CB 4.08Å; Y41-A98 WeakPolarHBondContact CD1-O 3.26Å; K95-A98 HydrophobicContact CB-CB 4Å; K95-A98 WeakPolarHBondContact O-CB 3.5Å; K95-A98 PolarHBondContact O-N 3.23Å; K96-A98 PolarHBondContact O-N 3.05Å; A98-Q100 PolarHBondContact O-N 3.33Å
99V91.1Very high82.7Confident17 Ų17111.6 Ų111.610%0.10354%0.541CS..  trans-88.5103.3178.2-1770000109.6Y41 F53 R54 I57 R58 K96 E97Y41-V99 HydrophobicContact CD1-CG2 3.77Å; Y41-V99 HydrophobicContact CE1-CB 4.41Å; Y41-V99 HydrophobicContact CE1-CG2 3.83Å; Y41-V99 HydrophobicContact CG-CG2 4.28Å; F53-V99 HydrophobicContact CD1-CG2 3.95Å; F53-V99 HydrophobicContact CE1-CG2 3.79Å; R54-V99 HydrophobicContact CG-CG1 4.12Å; I57-V99 HydrophobicContact CB-CB 4.35Å; I57-V99 HydrophobicContact CB-CG1 4.32Å; I57-V99 HydrophobicContact CB-CG2 4.04Å; I57-V99 HydrophobicContact CG1-CG2 4.13Å; I57-V99 HydrophobicContact CG2-CB 3.83Å; I57-V99 HydrophobicContact CG2-CG1 4.05Å; I57-V99 HydrophobicContact CG2-CG2 3.95Å; R58-V99 HydrophobicContact CG-CG1 3.93Å; K96-V99 WeakPolarHBondContact O-CB 3.15Å; K96-V99 PolarHBondContact O-N 3.29Å; K96-V99 VanDerWaalsContact O-N 3.09Å; E97-V99 PolarHBondContact O-N 2.93Å
100Q86.9Confident80.7Confident136 Ų136118.3 Ų118.364%0.63657%0.566SS**PPolyproline II helixtrans-67.1152.3174.6-66.9175.6-2000112.5R58 A98R58-Q100 PolarHBondContact NE-O 2.89Å; R58-Q100 VanDerWaalsContact NE-O 3.17Å; R58-Q100 PolarHBondContact NH2-O 3.42Å; A98-Q100 PolarHBondContact O-N 3.33Å
101N79.1Confident78.3Confident139 Ų139119.6 Ų119.674%0.74358%0.581SS**PPolyproline II helixtrans-56.9168.6171.1-71.4-17000111.8R58 R103R58-N101 PolarHBondContact NH2-O 3.34Å; N101-R103 PolarHBondContact O-N 2.92Å
102E76.4Confident76.3Confident162 Ų162116.2 Ų116.276%0.75758%0.577SS**PPolyproline II helixtrans-59.9137.7173.2-60.1-154.1146.700109.6
103R77.5Confident74.1Confident187 Ų187119.7 Ų119.771%0.70660%0.597SS**PPolyproline II helixtrans-97.1155.6170.2-68.4-175.5-70-175-0.4106.8N101N101-R103 PolarHBondContact O-N 2.92Å
104D65.4Low71.7Confident153 Ų153124.2 Ų124.282%0.81861%0.612SS**PPolyproline II helixtrans-51.4147172.8-62.2-39.7000110.8I106D104-I106 PolarHBondContact O-N 3.5Å; D104-I106 VanDerWaalsContact O-N 3.11Å
105R70.4Confident69.5Low204 Ų204128.2 Ų128.277%0.7764%0.641SS**PPolyproline II helixtrans-61.4119.1-179.8-69-176.7177.5-168.11.6108.3S107R105-S107 PolarHBondContact O-N 3.16Å
106I67.8Low67.6Low162 Ų162129.8 Ų129.883%0.83165%0.65SS**  trans-74.516.2169.8-45.9165.4000110.4D104D104-I106 PolarHBondContact O-N 3.5Å; D104-I106 VanDerWaalsContact O-N 3.11Å
107S54.7Low66Low70 Ų70130.9 Ų130.949%0.4966%0.661SS.*  trans-90.9121.1-179172.30000108.8R105 R109R105-S107 PolarHBondContact O-N 3.16Å; S107-R109 PolarHBondContact O-N 3.4Å; S107-R109 VanDerWaalsContact O-N 3.16Å; S107-R109 PolarHBondContact OG-N 2.98Å
108S54Low64.6Low129 Ų129124.9 Ų124.990%0.90263%0.634SS**SBendtrans-64.2-10.717352.90000113.9R110S108-R110 PolarHBondContact O-N 2.96Å
109R51.6Low63.3Low207 Ų207123.5 Ų123.578%0.78162%0.621SS**  trans-80.1101.3169.4-92.5-176.9-167.6-169.43111.1S107S107-R109 PolarHBondContact O-N 3.4Å; S107-R109 VanDerWaalsContact O-N 3.16Å; S107-R109 PolarHBondContact OG-N 2.98Å
110R55.9Low62.8Low142 Ų142126.1 Ų126.154%0.53664%0.638SS.*  trans-64.2133.7155.4-67.8-172.4-170.3155.917108.4S108 I112 D291S108-R110 PolarHBondContact O-N 2.96Å; R110-I112 PolarHBondContact O-N 3.41Å; R110-D291 IonicContact CZ-OD1 3.6Å; R110-D291 IonicContact NE-OD1 3.7Å; R110-D291 IonicContact NH1-OD1 2.73Å; R110-D291 PolarHBondContact NH1-OD1 2.91Å; R110-D291 IonicContact NH2-OD1 3.03Å; R110-D291 PolarHBondContact NH2-OD1 3.39Å
111V49.2Very low62.9Low114 Ų114120.4 Ų120.469%0.69161%0.612SS**  trans-89.999.2168.9178.80000105P113V111-P113 WeakPolarHBondContact O-CD 3.44Å
112I55.6Low63.3Low132 Ų132117.8 Ų117.868%0.67760%0.601SS**  trans-68.7122.8171.4-58.5174.5000106.2R110 D114R110-I112 PolarHBondContact O-N 3.41Å; I112-D114 PolarHBondContact O-N 3.48Å
113P49.8Very low64Low103 Ų103112.7 Ų112.767%0.66958%0.578SS**  trans-59.3132.7174-19.331.5000109.9V111 S115V111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-S115 PolarHBondContact O-N 2.94Å
114D45.6Very low64.8Low131 Ų131103.9 Ų103.970%0.70155%0.546SS*.  trans-63.296.9-179.1-146.617000109.5I112 Q116I112-D114 PolarHBondContact O-N 3.48Å; D114-Q116 VanDerWaalsContact OD1-CD 3.23Å; D114-Q116 VanDerWaalsContact OD1-CG 3.29Å; D114-Q116 WeakPolarHBondContact OD1-CG 3.43Å; D114-Q116 PolarHBondContact OD1-NE2 3.13Å
115S52.1Low66.2Low90 Ų9097.5 Ų97.563%0.62951%0.514SS*.  trans-130.464.7168.8-55.90000106.6P113 D117 Q280P113-S115 PolarHBondContact O-N 2.94Å; S115-D117 PolarHBondContact O-N 2.98Å; S115-Q280 PolarHBondContact O-NE2 3.42Å
116Q56.6Low67.4Low147 Ų14793.3 Ų93.369%0.68750%0.503SS*.THydrogen-bonded Turntrans-75.795.8179.7-71.317513.600109.1D114D114-Q116 VanDerWaalsContact OD1-CD 3.23Å; D114-Q116 VanDerWaalsContact OD1-CG 3.29Å; D114-Q116 WeakPolarHBondContact OD1-CG 3.43Å; D114-Q116 PolarHBondContact OD1-NE2 3.13Å
117D61.5Low68.7Low137 Ų13785.7 Ų85.773%0.73346%0.464SS*.THydrogen-bonded Turntrans-137.1-20.8159.2-77.8-46000111.9S115S115-D117 PolarHBondContact O-N 2.98Å
118L62.3Low70.6Confident17 Ų1783 Ų839%0.08944%0.444CS..SBendtrans-110.3150.6167.3-91.581.6000115.8F261 M277 Q280 V281L118-F261 HydrophobicContact CD2-CE2 4.23Å; L118-M277 HydrophobicContact CD1-CB 3.58Å; L118-M277 HydrophobicContact CD1-CE 4.14Å; L118-M277 HydrophobicContact CD1-CG 3.65Å; L118-M277 HydrophobicContact CD2-CB 4.07Å; L118-M277 HydrophobicContact CD2-CE 4.47Å; L118-M277 VanDerWaalsContact CD2-O 3.3Å; L118-M277 WeakPolarHBondContact CD2-O 3.36Å; L118-M277 HydrophobicContact CG-CB 4.34Å; L118-M277 HydrophobicContact CG-CE 4.28Å; L118-Q280 HydrophobicContact CB-CB 4.33Å; L118-Q280 HydrophobicContact CB-CG 3.9Å; L118-Q280 HydrophobicContact CD1-CB 4.19Å; L118-Q280 VanDerWaalsContact N-OE1 3.11Å; L118-V281 HydrophobicContact CD2-CG2 3.45Å; L118-V281 VanDerWaalsContact CD2-CG2 3.45Å
119P65.9Low72.5Confident14 Ų1479.7 Ų79.79%0.09142%0.421CS..  trans-57.7135.8168.717.7-26.8000112.1I123 L124 I172P119-I123 HydrophobicContact CB-CB 3.52Å; P119-I123 HydrophobicContact CB-CD1 3.75Å; P119-I123 HydrophobicContact CB-CG1 4.15Å; P119-I123 HydrophobicContact CB-CG2 3.43Å; P119-I123 VanDerWaalsContact CB-CG2 3.43Å; P119-I123 HydrophobicContact CG-CG2 4.29Å; P119-L124 HydrophobicContact CG-CD2 4.23Å; P119-I172 HydrophobicContact CG-CG2 3.86Å
120P80.9Confident74.5Confident72 Ų7272.5 Ų72.547%0.46840%0.398SS..  trans-51.9156.3168.8-27.235000112.3T122 I123 L124P120-T122 PolarHBondContact O-N 2.89Å; P120-I123 WeakPolarHBondContact O-CB 3.32Å; P120-I123 PolarHBondContact O-N 3.49Å; P120-L124 PolarHBondContact O-N 3.34Å
121I88.3Confident76.3Confident16 Ų1665.8 Ų65.88%0.08237%0.372CS..Hα-helixtrans-51.2-29.3178.4-158.4170.5000112.9L124 A125 N250 A254 L285 Y288I121-L124 WeakPolarHBondContact O-CB 3.43Å; I121-L124 PolarHBondContact O-N 3.3Å; I121-A125 PolarHBondContact O-N 3.46Å; I121-N250 HydrophobicContact CD1-CB 4.02Å; I121-N250 WeakPolarHBondContact CD1-O 3.37Å; I121-N250 HydrophobicContact CG1-CB 4.07Å; I121-A254 HydrophobicContact CD1-CB 3.83Å; I121-A254 HydrophobicContact CG1-CB 4.09Å; I121-L285 HydrophobicContact CD1-CD1 4.17Å; I121-Y288 HydrophobicContact CD1-CD1 4.29Å; I121-Y288 HydrophobicContact CD1-CD2 4.38Å; I121-Y288 HydrophobicContact CD1-CG 3.99Å; I121-Y288 HydrophobicContact CG2-CD2 4.05Å
122T87.9Confident78Confident85 Ų8565.1 Ų65.152%0.52136%0.362SS..Hα-helixtrans-66-35.2175.953.90000113.5P120 A125 Q126P120-T122 PolarHBondContact O-N 2.89Å; T122-A125 PolarHBondContact O-N 3.27Å; T122-Q126 WeakPolarHBondContact O-CB 3.37Å; T122-Q126 PolarHBondContact O-N 3.35Å
123I91.3Very high79.3Confident54 Ų5465.5 Ų65.528%0.27736%0.361SS..Hα-helixtrans-71.8-37174.6-64.1-176.8000109.9P119 P120 Q126 A127P119-I123 HydrophobicContact CB-CB 3.52Å; P119-I123 HydrophobicContact CB-CD1 3.75Å; P119-I123 HydrophobicContact CB-CG1 4.15Å; P119-I123 HydrophobicContact CB-CG2 3.43Å; P119-I123 VanDerWaalsContact CB-CG2 3.43Å; P119-I123 HydrophobicContact CG-CG2 4.29Å; P120-I123 WeakPolarHBondContact O-CB 3.32Å; P120-I123 PolarHBondContact O-N 3.49Å; I123-Q126 WeakPolarHBondContact O-CB 3.42Å; I123-Q126 PolarHBondContact O-N 3.01Å; I123-A127 WeakPolarHBondContact O-CB 3.44Å; I123-A127 PolarHBondContact O-N 2.95Å
124L95Very high80.7Confident3 Ų364.5 Ų64.52%0.01635%0.349CS..Hα-helixtrans-62.2-44.1173.3-59177.5000111P119 P120 I121 Q126 A127 E128 I172 A253 A257 V281P119-L124 HydrophobicContact CG-CD2 4.23Å; P120-L124 PolarHBondContact O-N 3.34Å; I121-L124 WeakPolarHBondContact O-CB 3.43Å; I121-L124 PolarHBondContact O-N 3.3Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.36Å; L124-A127 PolarHBondContact O-N 2.9Å; L124-E128 PolarHBondContact O-N 3.27Å; L124-I172 HydrophobicContact CD2-CD1 4.16Å; L124-I172 HydrophobicContact CD2-CG1 4.34Å; L124-I172 HydrophobicContact CD2-CG2 4.32Å; L124-A253 HydrophobicContact CB-CB 3.94Å; L124-A257 HydrophobicContact CD1-CB 3.78Å; L124-A257 HydrophobicContact CD2-CB 4.11Å; L124-V281 HydrophobicContact CD1-CG1 3.98Å; L124-V281 HydrophobicContact CD1-CG2 4.3Å
125A94.4Very high81.9Confident19 Ų1959.5 Ų59.516%0.15732%0.322CS..Hα-helixtrans-64.2-37.4174.700000112.3I121 T122 E128 S129 N250 A253I121-A125 PolarHBondContact O-N 3.46Å; T122-A125 PolarHBondContact O-N 3.27Å; A125-E128 WeakPolarHBondContact O-CB 3.5Å; A125-E128 PolarHBondContact O-N 3.21Å; A125-S129 PolarHBondContact O-N 3.45Å; A125-N250 WeakPolarHBondContact CB-OD1 3.25Å; A125-A253 HydrophobicContact CB-CB 4.3Å
126Q94.5Very high82.2Confident115 Ų11560.7 Ų60.754%0.53733%0.325SS..Hα-helixtrans-64.9-44174-175.8179.85.900111.9T122 I123 L124 E128 S129 L130T122-Q126 WeakPolarHBondContact O-CB 3.37Å; T122-Q126 PolarHBondContact O-N 3.35Å; I123-Q126 WeakPolarHBondContact O-CB 3.42Å; I123-Q126 PolarHBondContact O-N 3.01Å; L124-Q126 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 3.36Å; Q126-E128 VanDerWaalsContact C-N 3.27Å; Q126-E128 PolarHBondContact O-N 3.44Å; Q126-S129 PolarHBondContact O-N 3.22Å; Q126-L130 HydrophobicContact CG-CD1 4.22Å; Q126-L130 HydrophobicContact CG-CG 4.5Å; Q126-L130 WeakPolarHBondContact O-CG 3.42Å; Q126-L130 PolarHBondContact O-N 2.97Å
127A95.5Very high82.2Confident2 Ų259.1 Ų59.12%0.01733%0.328CS..Hα-helixtrans-58.6-41.4175.300000111.3I123 L124 S131 I172I123-A127 WeakPolarHBondContact O-CB 3.44Å; I123-A127 PolarHBondContact O-N 2.95Å; L124-A127 PolarHBondContact O-N 2.9Å; A127-S131 WeakPolarHBondContact O-CB 3.35Å; A127-S131 PolarHBondContact O-N 3.01Å; A127-S131 PolarHBondContact O-OG 3.38Å; A127-I172 HydrophobicContact CB-CG1 4.23Å
128E94.9Very high82Confident14 Ų1455.2 Ų55.27%0.06531%0.309CS..Hα-helixtrans-60.1-51.6173.2-177.657.4-151.200111.7L124 A125 Q126 L130 S131 Q132 Y252 A253 K256L124-E128 PolarHBondContact O-N 3.27Å; A125-E128 WeakPolarHBondContact O-CB 3.5Å; A125-E128 PolarHBondContact O-N 3.21Å; Q126-E128 VanDerWaalsContact C-N 3.27Å; Q126-E128 PolarHBondContact O-N 3.44Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.47Å; E128-S131 PolarHBondContact O-N 3Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-S131 PolarHBondContact O-OG 2.9Å; E128-Q132 WeakPolarHBondContact O-CG 3.41Å; E128-Q132 PolarHBondContact O-N 2.94Å; E128-Q132 VanDerWaalsContact O-N 3.13Å; E128-Q132 PolarHBondContact OE1-NE2 2.89Å; E128-Y252 HydrophobicContact CG-CD1 4.18Å; E128-Y252 HydrophobicContact CG-CE1 4.01Å; E128-A253 HydrophobicContact CB-CB 4.49Å; E128-K256 WeakPolarHBondContact OE2-CD 3.36Å; E128-K256 IonicContact OE2-NZ 2.85Å; E128-K256 PolarHBondContact OE2-NZ 2.92Å
129S93.5Very high81.4Confident59 Ų5956.8 Ų56.841%0.41333%0.329SS..Hα-helixtrans-57.9-41.2179.2-176.30000113.2A125 Q126A125-S129 PolarHBondContact O-N 3.45Å; Q126-S129 PolarHBondContact O-N 3.22Å
130L94.1Very high80.7Confident56 Ų5665 Ų6529%0.29337%0.371SS..Hα-helixtrans-66.1-42.1176.9-70.2171.6000111.8Q126 E128 Q132 Q133 Y171Q126-L130 HydrophobicContact CG-CD1 4.22Å; Q126-L130 HydrophobicContact CG-CG 4.5Å; Q126-L130 WeakPolarHBondContact O-CG 3.42Å; Q126-L130 PolarHBondContact O-N 2.97Å; E128-L130 VanDerWaalsContact C-N 3.32Å; E128-L130 PolarHBondContact O-N 3.47Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 3.41Å; L130-Q133 PolarHBondContact O-N 3.31Å; L130-Y171 HydrophobicContact CB-CD2 3.76Å; L130-Y171 HydrophobicContact CB-CE2 3.57Å; L130-Y171 HydrophobicContact CB-CG 4.4Å; L130-Y171 HydrophobicContact CD1-CD1 4.07Å; L130-Y171 HydrophobicContact CD1-CD2 4.31Å; L130-Y171 HydrophobicContact CD1-CE1 4.27Å; L130-Y171 HydrophobicContact CD1-CE2 4.49Å; L130-Y171 HydrophobicContact CD1-CG 4.11Å
131S92.6Very high79.3Confident1 Ų164.2 Ų64.21%0.00737%0.365CS..Hα-helixtrans-65.6-32.2-179.271.20000113.2A127 E128 Q133 I134A127-S131 WeakPolarHBondContact O-CB 3.35Å; A127-S131 PolarHBondContact O-N 3.01Å; A127-S131 PolarHBondContact O-OG 3.38Å; E128-S131 PolarHBondContact O-N 3Å; E128-S131 VanDerWaalsContact O-N 3.15Å; E128-S131 PolarHBondContact O-OG 2.9Å; S131-Q133 VanDerWaalsContact C-N 3.3Å; S131-Q133 PolarHBondContact O-N 2.85Å; S131-I134 WeakPolarHBondContact O-CB 3.43Å; S131-I134 PolarHBondContact O-N 3.35Å
132Q85.6Confident77.8Confident100 Ų10068.9 Ų68.947%0.46739%0.391SS..Hα-helixtrans-68.5-27.7177.5-70175.65.200113.1E128 L130 I134 I135E128-Q132 WeakPolarHBondContact O-CG 3.41Å; E128-Q132 PolarHBondContact O-N 2.94Å; E128-Q132 VanDerWaalsContact O-N 3.13Å; E128-Q132 PolarHBondContact OE1-NE2 2.89Å; L130-Q132 VanDerWaalsContact C-N 3.3Å; L130-Q132 PolarHBondContact O-N 3.41Å; Q132-I134 PolarHBondContact O-N 3.09Å; Q132-I135 PolarHBondContact O-N 2.77Å
133Q83.3Confident76.3Confident140 Ų14068.6 Ų68.665%0.65439%0.388SS*.THydrogen-bonded Turntrans-72.6-13.7178.4-65.4172.329.500113.4L130 S131 I135L130-Q133 PolarHBondContact O-N 3.31Å; S131-Q133 VanDerWaalsContact C-N 3.3Å; S131-Q133 PolarHBondContact O-N 2.85Å; Q133-I135 VanDerWaalsContact C-N 3.25Å; Q133-I135 PolarHBondContact O-N 3.37Å
134I78.4Confident74.7Confident82 Ų8270.3 Ų70.342%0.42141%0.405SS..THydrogen-bonded Turntrans-72.7-25.2178.2-57.4175000110.8S131 Q132 E167 Y171S131-I134 WeakPolarHBondContact O-CB 3.43Å; S131-I134 PolarHBondContact O-N 3.35Å; Q132-I134 PolarHBondContact O-N 3.09Å; I134-E167 HydrophobicContact CD1-CB 3.44Å; I134-E167 VanDerWaalsContact CD1-CB 3.44Å; I134-E167 HydrophobicContact CD1-CG 3.88Å; I134-Y171 HydrophobicContact CD1-CE2 4.47Å
135I71.6Confident73.4Confident26 Ų2676.7 Ų76.713%0.13344%0.439CS..SBendtrans-90.6136.2178.3-53.2161.3000107.7Q132 Q133 V164 G213Q132-I135 PolarHBondContact O-N 2.77Å; Q133-I135 VanDerWaalsContact C-N 3.25Å; Q133-I135 PolarHBondContact O-N 3.37Å; I135-V164 HydrophobicContact CD1-CG1 4.41Å; I135-V164 HydrophobicContact CD1-CG2 4.02Å; I135-V164 HydrophobicContact CG1-CG2 3.77Å; I135-G213 WeakPolarHBondContact CG2-O 3.34Å
136T58.5Low72.5Confident115 Ų11577 Ų7771%0.70644%0.439SS*.  trans-52.9126.2170.7-37.90000108.5V138T136-V138 PolarHBondContact O-N 3.12Å
137P56.7Low72.1Confident114 Ų11477.1 Ų77.174%0.7444%0.438SS*.  trans-58.3113.5179.720.3-29.2000107.9G139P137-G139 PolarHBondContact O-N 3.32Å
138V56Low71.9Confident55 Ų5579.9 Ų79.933%0.33346%0.457SS..  trans-70.570.9164-177.50000104.6T136 L140 V141 L211T136-V138 PolarHBondContact O-N 3.12Å; V138-L140 PolarHBondContact O-N 2.8Å; V138-V141 HydrophobicContact CG1-CG2 3.37Å; V138-L211 HydrophobicContact CG1-CD1 4.34Å; V138-L211 HydrophobicContact CG1-CD2 4.38Å
139G51Low71.8Confident50 Ų5080 Ų8052%0.51546%0.46SS..  trans-59.5136.1-175.700000108.7P137 V141P137-G139 PolarHBondContact O-N 3.32Å; G139-V141 WeakPolarHBondContact O-CA 3.44Å; G139-V141 WeakPolarHBondContact O-CG2 3.17Å; G139-V141 PolarHBondContact O-N 3.2Å
140L50.1Low71.7Confident186 Ų18680.6 Ų80.697%0.97446%0.462SS*.SBendtrans1.573.2171.5-82.2152.8000112.8V138 D142V138-L140 PolarHBondContact O-N 2.8Å; L140-D142 PolarHBondContact O-N 2.74Å
141V52.5Low71.6Confident57 Ų5778.9 Ų78.935%0.34545%0.453SS..  trans-75.8125.9-176.3-169.50000105.4V138 G139 V143 V146V138-V141 HydrophobicContact CG1-CG2 3.37Å; G139-V141 WeakPolarHBondContact O-CA 3.44Å; G139-V141 WeakPolarHBondContact O-CG2 3.17Å; G139-V141 PolarHBondContact O-N 3.2Å; V141-V143 PolarHBondContact O-N 2.99Å; V141-V143 VanDerWaalsContact O-N 3.12Å; V141-V146 HydrophobicContact CB-CG2 4.21Å; V141-V146 HydrophobicContact CG1-CG2 3.69Å
142D55.6Low71.6Confident114 Ų11480.2 Ų80.261%0.6147%0.468SS*.  trans-57.3119.9170.4-161.8-0.5000107.5L140 S144 D145L140-D142 PolarHBondContact O-N 2.74Å; D142-S144 PolarHBondContact O-N 2.73Å; D142-D145 PolarHBondContact O-N 3.19Å; D142-D145 VanDerWaalsContact O-N 3.07Å
143V57.3Low71.9Confident78 Ų7876.6 Ų76.647%0.47345%0.452SS..G310 helixtrans-58.8-20.7-167176.50000111.5V141 F209V141-V143 PolarHBondContact O-N 2.99Å; V141-V143 VanDerWaalsContact O-N 3.12Å; V143-F209 HydrophobicContact CG1-CE1 3.67Å; V143-F209 HydrophobicContact CG1-CZ 3.9Å; V143-F209 HydrophobicContact CG2-CZ 4.23Å
144S57.2Low72.5Confident90 Ų9070.7 Ų70.763%0.62943%0.425SS*.G310 helixtrans-71.8-23.2179.347.40000115.5D142D142-S144 PolarHBondContact O-N 2.73Å
145D67Low73.2Confident138 Ų13867 Ų6774%0.73841%0.406SS*.G310 helixtrans-105.26.8-174.7-71.9-20.9000113.5D142 K147D142-D145 PolarHBondContact O-N 3.19Å; D142-D145 VanDerWaalsContact O-N 3.07Å; D145-K147 PolarHBondContact O-N 2.74Å
146V75.8Confident74.3Confident25 Ų2569.8 Ų69.815%0.15242%0.422CS..PPolyproline II helixtrans-81.3119.6-173.1-157.50000111.4V141 S148 G215 V217V141-V146 HydrophobicContact CB-CG2 4.21Å; V141-V146 HydrophobicContact CG1-CG2 3.69Å; V146-S148 PolarHBondContact O-N 2.99Å; V146-G215 WeakPolarHBondContact CG1-O 3.29Å; V146-V217 HydrophobicContact CB-CG1 4.07Å; V146-V217 HydrophobicContact CB-CG2 3.99Å; V146-V217 HydrophobicContact CG1-CB 4.15Å; V146-V217 HydrophobicContact CG1-CG1 3.39Å; V146-V217 HydrophobicContact CG1-CG2 3.85Å
147K87.4Confident76Confident118 Ų11864.6 Ų64.651%0.51339%0.39SS..PPolyproline II helixtrans-60.5125.7178-178-169.6167.9-157.80110.9D145 A149 D153 C216 V217D145-K147 PolarHBondContact O-N 2.74Å; K147-A149 PolarHBondContact O-N 3.27Å; K147-D153 VanDerWaalsContact NZ-CG 3.3Å; K147-D153 IonicContact NZ-OD1 3.71Å; K147-D153 PolarHBondContact NZ-OD1 3.26Å; K147-D153 IonicContact NZ-OD2 3.62Å; K147-D153 PolarHBondContact NZ-OD2 3.03Å; K147-C216 WeakPolarHBondContact O-CA 3.43Å; K147-V217 PolarHBondContact O-N 2.96Å
148S91.1Very high77.9Confident59 Ų5960.2 Ų60.241%0.41336%0.36SS..BIsolated β-bridgetrans-63.9130.6167.7-54.80000110.7V146 V217 H219V146-S148 PolarHBondContact O-N 2.99Å; S148-V217 WeakPolarHBondContact CA-O 3.36Å; S148-H219 PolarHBondContact OG-CD2 3.33Å
149A92.4Very high79.8Confident17 Ų1761.8 Ų61.814%0.1436%0.36CS..PPolyproline II helixtrans-72.8134.1-175.800000112K147 D153 V154 L212 C216 V217 I218K147-A149 PolarHBondContact O-N 3.27Å; A149-D153 HydrophobicContact CB-CB 4.1Å; A149-V154 HydrophobicContact CB-CG2 4.07Å; A149-L212 HydrophobicContact CB-CD1 3.64Å; A149-C216 HydrophobicContact CB-CB 3.82Å; A149-V217 WeakPolarHBondContact CB-O 3.4Å; A149-V217 PolarHBondContact N-O 3.28Å; A149-I218 HydrophobicContact CB-CG1 4.1Å
150T92.4Very high81.9Confident72 Ų7262.2 Ų62.244%0.44235%0.348SS..PPolyproline II helixtrans-82.2168.9162.266.30000110.6G152 D153 V154T150-G152 PolarHBondContact O-N 3.05Å; T150-G152 PolarHBondContact OG1-N 2.98Å; T150-D153 WeakPolarHBondContact CB-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 3.41Å; T150-D153 PolarHBondContact O-N 3.46Å; T150-D153 VanDerWaalsContact O-N 3.1Å; T150-D153 PolarHBondContact OG1-N 2.95Å; T150-D153 PolarHBondContact OG1-OD2 3.1Å; T150-V154 WeakPolarHBondContact O-CG2 3.44Å; T150-V154 PolarHBondContact O-N 3.47Å
151V91.5Very high84.1Confident19 Ų1954.6 Ų54.612%0.11531%0.308CS..Hα-helixtrans-52.3-41.6172.1-1750000111.7V154 C155 I227 I324 A330V151-V154 PolarHBondContact O-N 3.36Å; V151-C155 PolarHBondContact O-N 3.41Å; V151-C155 PolarHBondContact O-SG 2.94Å; V151-I227 HydrophobicContact CB-CD1 4.28Å; V151-I227 HydrophobicContact CG2-CD1 3.75Å; V151-I324 HydrophobicContact CG1-CD1 3.92Å; V151-I324 HydrophobicContact CG1-CG1 4.48Å; V151-I324 HydrophobicContact CG1-CG2 3.71Å; V151-A330 HydrophobicContact CB-CB 4.43Å; V151-A330 HydrophobicContact CG1-CB 3.7Å
152G92Very high86.2Confident30 Ų3051.9 Ų51.931%0.30929%0.291SS..Hα-helixtrans-63.5-44.6177.400000112.7T150 V154 C155 D156T150-G152 PolarHBondContact O-N 3.05Å; T150-G152 PolarHBondContact OG1-N 2.98Å; G152-V154 VanDerWaalsContact C-N 3.25Å; G152-V154 PolarHBondContact O-N 3.26Å; G152-C155 PolarHBondContact O-N 3.01Å; G152-D156 WeakPolarHBondContact O-CB 3.47Å; G152-D156 PolarHBondContact O-N 3.31Å
153D92.7Very high88.1Confident24 Ų2450.6 Ų50.613%0.12828%0.284CS..Hα-helixtrans-61.6-35176.8-60.7-67.1000111.5K147 A149 T150 S157 N214 C216K147-D153 VanDerWaalsContact NZ-CG 3.3Å; K147-D153 IonicContact NZ-OD1 3.71Å; K147-D153 PolarHBondContact NZ-OD1 3.26Å; K147-D153 IonicContact NZ-OD2 3.62Å; K147-D153 PolarHBondContact NZ-OD2 3.03Å; A149-D153 HydrophobicContact CB-CB 4.1Å; T150-D153 WeakPolarHBondContact CB-OD2 3.48Å; T150-D153 PolarHBondContact N-OD2 3.41Å; T150-D153 PolarHBondContact O-N 3.46Å; T150-D153 VanDerWaalsContact O-N 3.1Å; T150-D153 PolarHBondContact OG1-N 2.95Å; T150-D153 PolarHBondContact OG1-OD2 3.1Å; D153-S157 WeakPolarHBondContact O-CB 3.25Å; D153-S157 PolarHBondContact O-N 3.25Å; D153-N214 PolarHBondContact O-ND2 3.04Å; D153-C216 HydrophobicContact CB-CB 4.48Å
154V94.3Very high90Very high15 Ų1547.5 Ų47.59%0.09127%0.265CS..Hα-helixtrans-65.8-50.4174.71780000110.9A149 T150 V151 G152 D156 S157 M158 L212 I218 I227A149-V154 HydrophobicContact CB-CG2 4.07Å; T150-V154 WeakPolarHBondContact O-CG2 3.44Å; T150-V154 PolarHBondContact O-N 3.47Å; V151-V154 PolarHBondContact O-N 3.36Å; G152-V154 VanDerWaalsContact C-N 3.25Å; G152-V154 PolarHBondContact O-N 3.26Å; V154-D156 VanDerWaalsContact C-N 3.32Å; V154-D156 PolarHBondContact O-N 3.31Å; V154-S157 PolarHBondContact O-N 2.84Å; V154-M158 HydrophobicContact CG1-CE 3.96Å; V154-M158 HydrophobicContact CG1-SD 4.33Å; V154-M158 WeakPolarHBondContact O-CG 3.39Å; V154-M158 PolarHBondContact O-N 3.24Å; V154-L212 HydrophobicContact CG2-CD1 3.97Å; V154-I218 HydrophobicContact CG2-CD1 3.82Å; V154-I218 HydrophobicContact CG2-CG1 4.24Å; V154-I227 HydrophobicContact CG2-CD1 4.33Å
155C94.6Very high91.9Very high4 Ų443.6 Ų43.63%0.02724%0.237CC..Hα-helixtrans-59.7-42.2177.6-67.40000111.9V151 G152 M158 R159 L336V151-C155 PolarHBondContact O-N 3.41Å; V151-C155 PolarHBondContact O-SG 2.94Å; G152-C155 PolarHBondContact O-N 3.01Å; C155-M158 PolarHBondContact O-N 3.42Å; C155-R159 PolarHBondContact O-N 3.44Å; C155-L336 HydrophobicContact CB-CD1 4.09Å
156D93.6Very high93.3Very high86 Ų8638.7 Ų38.746%0.4621%0.212SC..Hα-helixtrans-63.4-42.6177-79.1-28.3000112G152 V154 R159 Q160G152-D156 WeakPolarHBondContact O-CB 3.47Å; G152-D156 PolarHBondContact O-N 3.31Å; V154-D156 VanDerWaalsContact C-N 3.32Å; V154-D156 PolarHBondContact O-N 3.31Å; D156-R159 PolarHBondContact O-N 3.38Å; D156-Q160 PolarHBondContact O-N 2.97Å
157S94.8Very high94.3Very high5 Ų540.5 Ų40.54%0.03522%0.219CC..Hα-helixtrans-60.9-45.4173.2-179.60000111.1D153 V154 R159 Q160 Q161 G213D153-S157 WeakPolarHBondContact O-CB 3.25Å; D153-S157 PolarHBondContact O-N 3.25Å; V154-S157 PolarHBondContact O-N 2.84Å; S157-R159 VanDerWaalsContact C-N 3.35Å; S157-R159 PolarHBondContact O-N 3.32Å; S157-Q160 PolarHBondContact O-N 2.99Å; S157-Q161 WeakPolarHBondContact O-CB 3.38Å; S157-Q161 VanDerWaalsContact O-CG 3.25Å; S157-Q161 WeakPolarHBondContact O-CG 3.38Å; S157-Q161 PolarHBondContact O-N 2.92Å; S157-G213 PolarHBondContact OG-N 2.7Å
158M96.5Very high94.8Very high22 Ų2235 Ų3511%0.10820%0.195CC..Hα-helixtrans-59.5-46.6178.9-70.4178.3165.600111.1V154 C155 Q160 Q161 L162 L195 M317 L321 L336V154-M158 HydrophobicContact CG1-CE 3.96Å; V154-M158 HydrophobicContact CG1-SD 4.33Å; V154-M158 WeakPolarHBondContact O-CG 3.39Å; V154-M158 PolarHBondContact O-N 3.24Å; C155-M158 PolarHBondContact O-N 3.42Å; M158-Q160 VanDerWaalsContact C-N 3.35Å; M158-Q160 PolarHBondContact O-N 2.99Å; M158-Q161 PolarHBondContact O-N 3.46Å; M158-L162 WeakPolarHBondContact O-CG 3.25Å; M158-L162 PolarHBondContact O-N 3.21Å; M158-L195 HydrophobicContact CB-CD1 3.99Å; M158-L195 HydrophobicContact CG-CD1 4.01Å; M158-L195 HydrophobicContact SD-CD1 4.49Å; M158-M317 HydrophobicContact CE-CE 4.33Å; M158-M317 HydrophobicContact CE-CG 3.98Å; M158-M317 HydrophobicContact CE-SD 3.37Å; M158-M317 WeakPolarHBondContact CE-SD 3.3Å; M158-L321 HydrophobicContact CE-CD1 4.18Å; M158-L321 HydrophobicContact SD-CD1 3.89Å; M158-L321 HydrophobicContact SD-CD2 4.24Å; M158-L336 HydrophobicContact CB-CD2 3.54Å
159R95.6Very high95.1Very high88 Ų8832.1 Ų32.133%0.33218%0.175SC..Hα-helixtrans-57.7-46.3177.3-175.3-171.562.875.22.9111.6C155 D156 S157 L162 L163 D333 L335 L336C155-R159 PolarHBondContact O-N 3.44Å; D156-R159 PolarHBondContact O-N 3.38Å; S157-R159 VanDerWaalsContact C-N 3.35Å; S157-R159 PolarHBondContact O-N 3.32Å; R159-L162 PolarHBondContact O-N 3.43Å; R159-L163 PolarHBondContact O-N 2.95Å; R159-D333 VanDerWaalsContact CD-CG 3.45Å; R159-D333 WeakPolarHBondContact CD-OD1 3.38Å; R159-D333 HydrophobicContact CG-CB 4.41Å; R159-L335 HydrophobicContact CG-CD2 4.19Å; R159-L336 HydrophobicContact CB-CD1 4.41Å; R159-L336 HydrophobicContact CB-CG 4.37Å
160Q95Very high95.3Very high59 Ų5936.9 Ų36.928%0.27619%0.192SC..Hα-helixtrans-61.9-44177.1-174.7-177.25.900111.7D156 S157 M158 L162 L163 V164D156-Q160 PolarHBondContact O-N 2.97Å; S157-Q160 PolarHBondContact O-N 2.99Å; M158-Q160 VanDerWaalsContact C-N 3.35Å; M158-Q160 PolarHBondContact O-N 2.99Å; Q160-L162 VanDerWaalsContact C-N 3.35Å; Q160-L162 PolarHBondContact O-N 2.97Å; Q160-L163 WeakPolarHBondContact O-CB 3.43Å; Q160-L163 PolarHBondContact O-N 3.3Å; Q160-V164 WeakPolarHBondContact O-CG2 3.36Å; Q160-V164 PolarHBondContact O-N 2.93Å
161Q96.1Very high95.4Very high27 Ų2737.8 Ų37.813%0.12619%0.188CC..Hα-helixtrans-70-29.3-179.1-66.3-56.5-8000112.9S157 M158 L163 V164 L165 L195S157-Q161 WeakPolarHBondContact O-CB 3.38Å; S157-Q161 VanDerWaalsContact O-CG 3.25Å; S157-Q161 WeakPolarHBondContact O-CG 3.38Å; S157-Q161 PolarHBondContact O-N 2.92Å; M158-Q161 PolarHBondContact O-N 3.46Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-V164 PolarHBondContact O-N 3.24Å; Q161-L165 PolarHBondContact O-N 3.23Å; Q161-L195 HydrophobicContact CB-CD2 3.42Å; Q161-L195 VanDerWaalsContact CB-CD2 3.42Å; Q161-L195 HydrophobicContact CG-CD2 4.48Å
162L97.1Very high95.6Very high0 Ų036.9 Ų36.90%018%0.183CC..Hα-helixtrans-64.9-37.1171.3-71.7177.2000112.2M158 R159 Q160 V164 L165 V166 A191 L195 L335 L336 M339M158-L162 WeakPolarHBondContact O-CG 3.25Å; M158-L162 PolarHBondContact O-N 3.21Å; R159-L162 PolarHBondContact O-N 3.43Å; Q160-L162 VanDerWaalsContact C-N 3.35Å; Q160-L162 PolarHBondContact O-N 2.97Å; L162-V164 VanDerWaalsContact C-N 3.33Å; L162-L165 HydrophobicContact CD2-CD2 4.46Å; L162-L165 WeakPolarHBondContact O-CB 3.5Å; L162-L165 PolarHBondContact O-N 3Å; L162-V166 WeakPolarHBondContact O-CG2 3.45Å; L162-V166 PolarHBondContact O-N 2.89Å; L162-V166 VanDerWaalsContact O-N 3.15Å; L162-A191 HydrophobicContact CD2-CB 3.87Å; L162-L195 HydrophobicContact CD2-CD1 4.02Å; L162-L195 HydrophobicContact CD2-CD2 4.13Å; L162-L195 HydrophobicContact CD2-CG 4.04Å; L162-L195 HydrophobicContact CG-CD1 4.24Å; L162-L195 HydrophobicContact CG-CD2 4.18Å; L162-L195 HydrophobicContact CG-CG 4.48Å; L162-L335 HydrophobicContact CB-CD2 3.92Å; L162-L335 HydrophobicContact CB-CG 4.41Å; L162-L335 HydrophobicContact CD1-CD2 4.48Å; L162-L335 HydrophobicContact CD1-CG 4.23Å; L162-L336 HydrophobicContact CD1-CD2 3.71Å; L162-M339 HydrophobicContact CB-SD 3.93Å; L162-M339 HydrophobicContact CD1-CB 4Å; L162-M339 HydrophobicContact CD1-CG 4.46Å; L162-M339 HydrophobicContact CD1-SD 3.9Å; L162-M339 HydrophobicContact CD2-CB 4.47Å; L162-M339 HydrophobicContact CD2-CE 3.94Å; L162-M339 HydrophobicContact CD2-SD 4.02Å; L162-M339 HydrophobicContact CG-SD 4.16Å
163L95.9Very high95.6Very high86 Ų8638.9 Ų38.945%0.4519%0.19SC..Hα-helixtrans-65.5-39.2173.1-64.2172.8000111.4R159 Q160 Q161 L165 V166 E167 L335R159-L163 PolarHBondContact O-N 2.95Å; Q160-L163 WeakPolarHBondContact O-CB 3.43Å; Q160-L163 PolarHBondContact O-N 3.3Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.11Å; L163-V166 WeakPolarHBondContact O-CB 3.35Å; L163-V166 PolarHBondContact O-N 3.42Å; L163-E167 PolarHBondContact O-N 3.36Å; L163-E167 VanDerWaalsContact O-N 3.12Å; L163-L335 HydrophobicContact CD2-CD2 3.76Å; L163-L335 HydrophobicContact CG-CD2 3.94Å
164V96.4Very high95.5Very high14 Ų1438 Ų389%0.08519%0.187CC..Hα-helixtrans-64.3-36.4174.6176.60000111.3I135 Q160 Q161 L162 V166 E167 W168I135-V164 HydrophobicContact CD1-CG1 4.41Å; I135-V164 HydrophobicContact CD1-CG2 4.02Å; I135-V164 HydrophobicContact CG1-CG2 3.77Å; Q160-V164 WeakPolarHBondContact O-CG2 3.36Å; Q160-V164 PolarHBondContact O-N 2.93Å; Q161-V164 PolarHBondContact O-N 3.24Å; L162-V164 VanDerWaalsContact C-N 3.33Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 2.73Å; V164-E167 PolarHBondContact O-N 3.27Å; V164-W168 WeakPolarHBondContact O-CB 3.44Å; V164-W168 PolarHBondContact O-N 3.4Å
165L97.7Very high95.5Very high7 Ų737.5 Ų37.54%0.03718%0.183CC..Hα-helixtrans-60.7-42173.4177.364.7000112Q161 L162 L163 W168 A169 L187 H194 M339Q161-L165 PolarHBondContact O-N 3.23Å; L162-L165 HydrophobicContact CD2-CD2 4.46Å; L162-L165 WeakPolarHBondContact O-CB 3.5Å; L162-L165 PolarHBondContact O-N 3Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.11Å; L165-W168 HydrophobicContact CD1-CE3 3.63Å; L165-W168 HydrophobicContact CD1-CZ3 3.94Å; L165-W168 PolarHBondContact O-N 2.82Å; L165-A169 PolarHBondContact O-N 3.04Å; L165-L187 HydrophobicContact CG-CD2 4.17Å; L165-H194 HydrophobicContact CD1-CB 3.93Å; L165-H194 HydrophobicContact CD2-CB 3.82Å; L165-H194 HydrophobicContact CG-CB 4.48Å; L165-M339 HydrophobicContact CD2-CE 4.4Å
166V97.2Very high95.5Very high35 Ų3539.6 Ų39.621%0.21221%0.206CC..Hα-helixtrans-61.6-45.6175.8174.80000111L162 L163 V164 A169 K170 L187L162-V166 WeakPolarHBondContact O-CG2 3.45Å; L162-V166 PolarHBondContact O-N 2.89Å; L162-V166 VanDerWaalsContact O-N 3.15Å; L163-V166 WeakPolarHBondContact O-CB 3.35Å; L163-V166 PolarHBondContact O-N 3.42Å; V164-V166 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 2.73Å; V166-A169 PolarHBondContact O-N 2.86Å; V166-K170 WeakPolarHBondContact O-CG 3.35Å; V166-K170 PolarHBondContact O-N 3.42Å; V166-L187 HydrophobicContact CG2-CD1 4.21Å; V166-L187 HydrophobicContact CG2-CD2 4.09Å
167E96.3Very high95.5Very high64 Ų6442.4 Ų42.430%0.29922%0.216SC..Hα-helixtrans-67.4-40.4177.9-66.6-56126.600112.3I134 L163 V164 A169 K170 Y171I134-E167 HydrophobicContact CD1-CB 3.44Å; I134-E167 VanDerWaalsContact CD1-CB 3.44Å; I134-E167 HydrophobicContact CD1-CG 3.88Å; L163-E167 PolarHBondContact O-N 3.36Å; L163-E167 VanDerWaalsContact O-N 3.12Å; V164-E167 PolarHBondContact O-N 3.27Å; E167-A169 VanDerWaalsContact C-N 3.32Å; E167-A169 PolarHBondContact O-N 2.78Å; E167-K170 WeakPolarHBondContact O-CB 3.37Å; E167-K170 PolarHBondContact O-N 2.79Å; E167-K170 IonicContact OE1-NZ 2.76Å; E167-K170 PolarHBondContact OE1-NZ 2.63Å; E167-K170 IonicContact OE2-NZ 3.61Å; E167-Y171 VanDerWaalsContact O-CD2 3.3Å; E167-Y171 WeakPolarHBondContact O-CD2 3.49Å; E167-Y171 PolarHBondContact O-N 2.73Å
168W97.6Very high95.5Very high1 Ų142.6 Ų42.60%0.00422%0.216CC..Hα-helixtrans-55.4-47.2172.8169.280.1000111.8V164 L165 K170 Y171 I172 K256 F260V164-W168 WeakPolarHBondContact O-CB 3.44Å; V164-W168 PolarHBondContact O-N 3.4Å; L165-W168 HydrophobicContact CD1-CE3 3.63Å; L165-W168 HydrophobicContact CD1-CZ3 3.94Å; L165-W168 PolarHBondContact O-N 2.82Å; W168-K170 VanDerWaalsContact C-N 3.3Å; W168-K170 PolarHBondContact O-N 3.39Å; W168-Y171 PolarHBondContact O-N 3.34Å; W168-Y171 VanDerWaalsContact O-N 3.14Å; W168-I172 HydrophobicContact CD2-CD1 4.36Å; W168-I172 HydrophobicContact CE3-CD1 4.42Å; W168-I172 HydrophobicContact CH2-CD1 3.77Å; W168-I172 HydrophobicContact CZ2-CD1 3.67Å; W168-I172 HydrophobicContact CZ3-CD1 4.15Å; W168-K256 HydrophobicContact CD2-CD 4.19Å; W168-K256 HydrophobicContact CH2-CD 4.15Å; W168-K256 HydrophobicContact CH2-CG 3.86Å; W168-K256 HydrophobicContact CZ2-CB 4.21Å; W168-K256 HydrophobicContact CZ2-CD 3.6Å; W168-K256 HydrophobicContact CZ2-CG 3.69Å; W168-F260 HydrophobicContact CH2-CB 3.84Å; W168-F260 HydrophobicContact CH2-CD1 4.19Å; W168-F260 HydrophobicContact CH2-CD2 4.45Å; W168-F260 AromaticContact CH2-CG 3.92Å; W168-F260 HydrophobicContact CH2-CG 3.92Å; W168-F260 HydrophobicContact CZ3-CB 4.02Å; W168-F260 AromaticContact CZ3-CD1 3.96Å; W168-F260 HydrophobicContact CZ3-CD1 3.96Å; W168-F260 AromaticContact CZ3-CD2 3.76Å; W168-F260 HydrophobicContact CZ3-CD2 3.76Å; W168-F260 HydrophobicContact CZ3-CE1 4.34Å; W168-F260 HydrophobicContact CZ3-CE2 4.16Å; W168-F260 AromaticContact CZ3-CG 3.64Å; W168-F260 HydrophobicContact CZ3-CG 3.64Å; W168-F260 HydrophobicContact CZ3-CZ 4.42Å
169A97.3Very high95.5Very high0 Ų043.8 Ų43.80%023%0.226CC..Hα-helixtrans-62.3-38.4-179.400000111.8L165 V166 E167 Y171 I172 F175 L187 F260L165-A169 PolarHBondContact O-N 3.04Å; V166-A169 PolarHBondContact O-N 2.86Å; E167-A169 VanDerWaalsContact C-N 3.32Å; E167-A169 PolarHBondContact O-N 2.78Å; A169-Y171 PolarHBondContact O-N 2.94Å; A169-I172 WeakPolarHBondContact O-CB 3.36Å; A169-I172 PolarHBondContact O-N 3.03Å; A169-F175 VanDerWaalsContact C-CD1 3.46Å; A169-F175 HydrophobicContact CB-CD1 3.82Å; A169-F175 HydrophobicContact CB-CD2 4.46Å; A169-F175 HydrophobicContact CB-CE1 3.62Å; A169-F175 HydrophobicContact CB-CE2 4.27Å; A169-F175 HydrophobicContact CB-CG 4.22Å; A169-F175 HydrophobicContact CB-CZ 3.84Å; A169-F175 WeakPolarHBondContact O-CD1 3.38Å; A169-L187 HydrophobicContact CB-CD2 4.12Å; A169-F260 HydrophobicContact CB-CE1 4.18Å; A169-F260 HydrophobicContact CB-CE2 4.31Å; A169-F260 HydrophobicContact CB-CZ 3.65Å
170K95.9Very high95.6Very high116 Ų11645.7 Ų45.750%0.50424%0.242SC..Hα-helixtrans-62.6-25.7176.9-70.2172.6-176.81710113.7V166 E167 W168 I172V166-K170 WeakPolarHBondContact O-CG 3.35Å; V166-K170 PolarHBondContact O-N 3.42Å; E167-K170 WeakPolarHBondContact O-CB 3.37Å; E167-K170 PolarHBondContact O-N 2.79Å; E167-K170 IonicContact OE1-NZ 2.76Å; E167-K170 PolarHBondContact OE1-NZ 2.63Å; E167-K170 IonicContact OE2-NZ 3.61Å; W168-K170 VanDerWaalsContact C-N 3.3Å; W168-K170 PolarHBondContact O-N 3.39Å; K170-I172 PolarHBondContact O-N 3.28Å
171Y95.4Very high95.6Very high91 Ų9147.3 Ų47.336%0.35725%0.252SS..THydrogen-bonded Turntrans-77-5.5175.4-65.1-47.9000113.7L130 I134 E167 W168 A169 P173L130-Y171 HydrophobicContact CB-CD2 3.76Å; L130-Y171 HydrophobicContact CB-CE2 3.57Å; L130-Y171 HydrophobicContact CB-CG 4.4Å; L130-Y171 HydrophobicContact CD1-CD1 4.07Å; L130-Y171 HydrophobicContact CD1-CD2 4.31Å; L130-Y171 HydrophobicContact CD1-CE1 4.27Å; L130-Y171 HydrophobicContact CD1-CE2 4.49Å; L130-Y171 HydrophobicContact CD1-CG 4.11Å; I134-Y171 HydrophobicContact CD1-CE2 4.47Å; E167-Y171 VanDerWaalsContact O-CD2 3.3Å; E167-Y171 WeakPolarHBondContact O-CD2 3.49Å; E167-Y171 PolarHBondContact O-N 2.73Å; W168-Y171 PolarHBondContact O-N 3.34Å; W168-Y171 VanDerWaalsContact O-N 3.14Å; A169-Y171 PolarHBondContact O-N 2.94Å; Y171-P173 WeakPolarHBondContact O-CD 3.5Å
172I95.4Very high95.7Very high0 Ų046.3 Ų46.30%025%0.248CC..SBendtrans-95109.7175.9-54.1175.7000108.3P119 L124 A127 W168 A169 K170 S174 F175 G176 F261P119-I172 HydrophobicContact CG-CG2 3.86Å; L124-I172 HydrophobicContact CD2-CD1 4.16Å; L124-I172 HydrophobicContact CD2-CG1 4.34Å; L124-I172 HydrophobicContact CD2-CG2 4.32Å; A127-I172 HydrophobicContact CB-CG1 4.23Å; W168-I172 HydrophobicContact CD2-CD1 4.36Å; W168-I172 HydrophobicContact CE3-CD1 4.42Å; W168-I172 HydrophobicContact CH2-CD1 3.77Å; W168-I172 HydrophobicContact CZ2-CD1 3.67Å; W168-I172 HydrophobicContact CZ3-CD1 4.15Å; A169-I172 WeakPolarHBondContact O-CB 3.36Å; A169-I172 PolarHBondContact O-N 3.03Å; K170-I172 PolarHBondContact O-N 3.28Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.92Å; I172-F175 HydrophobicContact CB-CB 4.14Å; I172-F175 HydrophobicContact CG2-CB 4.43Å; I172-F175 WeakPolarHBondContact O-CB 3.32Å; I172-F175 PolarHBondContact O-N 2.89Å; I172-G176 PolarHBondContact O-N 3.18Å; I172-F261 HydrophobicContact CG2-CZ 4.1Å
173P91.4Very high95.7Very high72 Ų7247.8 Ų47.847%0.46826%0.255SS..Hα-helixtrans-55.5-44.9-172.9-28.235.9000113.6Y171 F175 G176 E177Y171-P173 WeakPolarHBondContact O-CD 3.5Å; P173-F175 PolarHBondContact O-N 3Å; P173-G176 PolarHBondContact O-N 3.18Å; P173-E177 PolarHBondContact O-N 3.33Å
174S90.9Very high95.8Very high7 Ų746.6 Ų46.65%0.04925%0.251CS..Hα-helixtrans-65.5-20.4-17959.10000113.8I172 M277I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 2.92Å; S174-M277 VanDerWaalsContact CB-CE 3.46Å; S174-M277 WeakPolarHBondContact OG-CE 3.44Å
175F95.2Very high95.8Very high3 Ų347 Ų471%0.01325%0.254CS..Hα-helixtrans-77.3-42.2170.8170.2-98.3000111.4A169 I172 P173 E177 L178 Q183 L187 F260A169-F175 VanDerWaalsContact C-CD1 3.46Å; A169-F175 HydrophobicContact CB-CD1 3.82Å; A169-F175 HydrophobicContact CB-CD2 4.46Å; A169-F175 HydrophobicContact CB-CE1 3.62Å; A169-F175 HydrophobicContact CB-CE2 4.27Å; A169-F175 HydrophobicContact CB-CG 4.22Å; A169-F175 HydrophobicContact CB-CZ 3.84Å; A169-F175 WeakPolarHBondContact O-CD1 3.38Å; I172-F175 HydrophobicContact CB-CB 4.14Å; I172-F175 HydrophobicContact CG2-CB 4.43Å; I172-F175 WeakPolarHBondContact O-CB 3.32Å; I172-F175 PolarHBondContact O-N 2.89Å; P173-F175 PolarHBondContact O-N 3Å; F175-E177 PolarHBondContact O-N 3.4Å; F175-E177 VanDerWaalsContact O-N 3.16Å; F175-L178 HydrophobicContact CD2-CD1 4.22Å; F175-L178 WeakPolarHBondContact O-CB 3.48Å; F175-L178 PolarHBondContact O-N 3.38Å; F175-Q183 HydrophobicContact CD2-CG 4.15Å; F175-Q183 HydrophobicContact CE1-CB 4.34Å; F175-Q183 HydrophobicContact CE1-CG 4.08Å; F175-Q183 HydrophobicContact CE2-CB 3.63Å; F175-Q183 HydrophobicContact CE2-CG 3.66Å; F175-Q183 HydrophobicContact CZ-CB 3.5Å; F175-Q183 VanDerWaalsContact CZ-CB 3.5Å; F175-Q183 HydrophobicContact CZ-CG 3.63Å; F175-Q183 PolarHBondContact O-NE2 3.48Å; F175-L187 HydrophobicContact CE2-CG 4.5Å; F175-L187 HydrophobicContact CZ-CD1 3.95Å; F175-L187 HydrophobicContact CZ-CG 4.15Å; F175-F260 AromaticContact CD2-CE1 3.51Å; F175-F260 HydrophobicContact CD2-CE1 3.51Å; F175-F260 AromaticContact CD2-CZ 3.67Å; F175-F260 HydrophobicContact CD2-CZ 3.67Å; F175-F260 AromaticContact CE2-CE1 3.86Å; F175-F260 HydrophobicContact CE2-CE1 3.86Å; F175-F260 AromaticContact CE2-CZ 3.49Å; F175-F260 HydrophobicContact CE2-CZ 3.49Å; F175-F260 VanDerWaalsContact CE2-CZ 3.49Å; F175-F260 HydrophobicContact CG-CE1 4.2Å; F175-F260 HydrophobicContact CG-CZ 4.49Å; F175-F260 HydrophobicContact CZ-CZ 4.21Å
176G93.8Very high95.8Very high49 Ų4946.7 Ų46.751%0.50525%0.253SS..Hα-helixtrans-61.4-22.6178.700000114I172 P173I172-G176 PolarHBondContact O-N 3.18Å; P173-G176 PolarHBondContact O-N 3.18Å
177E93.4Very high95.8Very high145 Ų14545.9 Ų45.968%0.67825%0.247SC*.THydrogen-bonded Turntrans-83.9-10175.8-65.7175.2-171.400114.1P173 F175P173-E177 PolarHBondContact O-N 3.33Å; F175-E177 PolarHBondContact O-N 3.4Å; F175-E177 VanDerWaalsContact O-N 3.16Å
178L95.7Very high95.8Very high8 Ų848.1 Ų48.14%0.04225%0.253CS..SBendtrans-75.4151.3178.6-62.8176.2000111.2F175 D182 Q183 L186 K273 I274 M277F175-L178 HydrophobicContact CD2-CD1 4.22Å; F175-L178 WeakPolarHBondContact O-CB 3.48Å; F175-L178 PolarHBondContact O-N 3.38Å; L178-D182 HydrophobicContact CB-CB 4.46Å; L178-Q183 HydrophobicContact CB-CG 3.94Å; L178-Q183 PolarHBondContact O-NE2 3.17Å; L178-L186 HydrophobicContact CD1-CD1 3.59Å; L178-K273 HydrophobicContact CD2-CD 4.14Å; L178-I274 HydrophobicContact CD1-CD1 3.79Å; L178-I274 HydrophobicContact CD2-CD1 4Å; L178-M277 HydrophobicContact CD2-SD 4.39Å
179P97Very high95.8Very high47 Ų4749.8 Ų49.831%0.30527%0.267SS..  trans-53.7143.7168.1-24.635.1000111.8D181 D182 Q183P179-D181 PolarHBondContact O-N 3.25Å; P179-D182 HydrophobicContact CB-CB 4.46Å; P179-D182 WeakPolarHBondContact CD-OD2 3.5Å; P179-D182 WeakPolarHBondContact O-CB 3.22Å; P179-D182 PolarHBondContact O-N 2.9Å; P179-Q183 WeakPolarHBondContact O-CG 3.31Å; P179-Q183 PolarHBondContact O-N 3.41Å
180L96.7Very high95.8Very high129 Ų12951.1 Ų51.168%0.67527%0.273SS*.Hα-helixtrans-56.8-37.1-178.1-69.4175.1000113.1Q183 V184L180-Q183 WeakPolarHBondContact O-CB 3.45Å; L180-Q183 PolarHBondContact O-N 3.4Å; L180-V184 WeakPolarHBondContact O-CG2 3.22Å; L180-V184 PolarHBondContact O-N 2.91Å
181D96.1Very high95.9Very high92 Ų9245.6 Ų45.649%0.49225%0.25SC..Hα-helixtrans-61.8-44.4176.6-59.2-32.3000111.2P179 V184 S185 R269P179-D181 PolarHBondContact O-N 3.25Å; D181-V184 PolarHBondContact O-N 3.41Å; D181-S185 PolarHBondContact O-N 2.9Å; D181-S185 PolarHBondContact O-OG 3.48Å; D181-R269 IonicContact OD2-CZ 2.73Å; D181-R269 IonicContact OD2-NE 3.42Å; D181-R269 IonicContact OD2-NH2 3.63Å; D181-R269 PolarHBondContact OD2-NH2 2.91Å
182D97.3Very high96Very high6 Ų641.4 Ų41.43%0.03223%0.234CC..Hα-helixtrans-66.4-39.7177.7-65.8-11.2000110.7L178 P179 V184 S185 L186 L268 R269L178-D182 HydrophobicContact CB-CB 4.46Å; P179-D182 HydrophobicContact CB-CB 4.46Å; P179-D182 WeakPolarHBondContact CD-OD2 3.5Å; P179-D182 WeakPolarHBondContact O-CB 3.22Å; P179-D182 PolarHBondContact O-N 2.9Å; D182-V184 VanDerWaalsContact C-N 3.33Å; D182-V184 PolarHBondContact O-N 3.29Å; D182-S185 PolarHBondContact O-N 3.32Å; D182-L186 WeakPolarHBondContact O-CG 3.48Å; D182-L186 PolarHBondContact O-N 2.91Å; D182-L268 HydrophobicContact CB-CD2 3.87Å; D182-L268 WeakPolarHBondContact OD1-CA 3.35Å; D182-R269 WeakPolarHBondContact OD1-CG 3.4Å; D182-R269 PolarHBondContact OD1-N 3.41Å
183Q97.6Very high96.2Very high32 Ų3242.1 Ų42.115%0.1524%0.237CC..Hα-helixtrans-58-45.8175-69.8-176.226.100111.6F175 L178 P179 L180 L187F175-Q183 HydrophobicContact CD2-CG 4.15Å; F175-Q183 HydrophobicContact CE1-CB 4.34Å; F175-Q183 HydrophobicContact CE1-CG 4.08Å; F175-Q183 HydrophobicContact CE2-CB 3.63Å; F175-Q183 HydrophobicContact CE2-CG 3.66Å; F175-Q183 HydrophobicContact CZ-CB 3.5Å; F175-Q183 VanDerWaalsContact CZ-CB 3.5Å; F175-Q183 HydrophobicContact CZ-CG 3.63Å; F175-Q183 PolarHBondContact O-NE2 3.48Å; L178-Q183 HydrophobicContact CB-CG 3.94Å; L178-Q183 PolarHBondContact O-NE2 3.17Å; P179-Q183 WeakPolarHBondContact O-CG 3.31Å; P179-Q183 PolarHBondContact O-N 3.41Å; L180-Q183 WeakPolarHBondContact O-CB 3.45Å; L180-Q183 PolarHBondContact O-N 3.4Å; Q183-L187 WeakPolarHBondContact O-CB 3.28Å; Q183-L187 WeakPolarHBondContact O-CG 3.49Å; Q183-L187 PolarHBondContact O-N 3.16Å
184V96.7Very high96.5Very high60 Ų6039.2 Ų39.236%0.36422%0.217SC..Hα-helixtrans-65.9-42.3177.1172.10000111.1L180 D181 D182 L186 L187 R188L180-V184 WeakPolarHBondContact O-CG2 3.22Å; L180-V184 PolarHBondContact O-N 2.91Å; D181-V184 PolarHBondContact O-N 3.41Å; D182-V184 VanDerWaalsContact C-N 3.33Å; D182-V184 PolarHBondContact O-N 3.29Å; V184-L186 PolarHBondContact O-N 3.4Å; V184-L187 PolarHBondContact O-N 3.23Å; V184-R188 HydrophobicContact CG1-CG 4.47Å; V184-R188 WeakPolarHBondContact O-CB 3.4Å; V184-R188 WeakPolarHBondContact O-CG 3.37Å; V184-R188 PolarHBondContact O-N 3.05Å
185S96.8Very high96.9Very high22 Ų2239.7 Ų39.715%0.15422%0.219CC..Hα-helixtrans-58.8-46.6176.6-76.90000112.2D181 D182 R188 A189 K266D181-S185 PolarHBondContact O-N 2.9Å; D181-S185 PolarHBondContact O-OG 3.48Å; D182-S185 PolarHBondContact O-N 3.32Å; S185-R188 PolarHBondContact O-N 3.12Å; S185-A189 WeakPolarHBondContact O-CB 3.5Å; S185-A189 PolarHBondContact O-N 3.47Å; S185-K266 VanDerWaalsContact CB-O 3.23Å; S185-K266 WeakPolarHBondContact CB-O 3.35Å; S185-K266 PolarHBondContact OG-O 2.91Å
186L97.9Very high97Very high1 Ų139.8 Ų39.81%0.00522%0.22CC..Hα-helixtrans-66-43.2178.4-66.4172.8000112.1L178 D182 V184 R188 A189 F260 F261 D262 A265 L268 I274L178-L186 HydrophobicContact CD1-CD1 3.59Å; D182-L186 WeakPolarHBondContact O-CG 3.48Å; D182-L186 PolarHBondContact O-N 2.91Å; V184-L186 PolarHBondContact O-N 3.4Å; L186-R188 PolarHBondContact O-N 3.33Å; L186-A189 PolarHBondContact O-N 3.05Å; L186-F260 HydrophobicContact CB-CE2 4.32Å; L186-F260 HydrophobicContact CB-CZ 4.16Å; L186-F261 HydrophobicContact CD1-CD1 4.39Å; L186-D262 WeakPolarHBondContact CD2-O 3.48Å; L186-A265 HydrophobicContact CD2-CB 4.17Å; L186-L268 HydrophobicContact CD2-CD1 4.46Å; L186-L268 HydrophobicContact CD2-CD2 4.18Å; L186-L268 HydrophobicContact CG-CD2 4.18Å; L186-I274 HydrophobicContact CD1-CD1 3.99Å; L186-I274 HydrophobicContact CD2-CG2 4.03Å
187L97.6Very high97.3Very high19 Ų1937.6 Ų37.610%0.09920%0.197CC..Hα-helixtrans-60.7-30.3176.6-79.2166.4000112.9L165 V166 A169 F175 Q183 V184 F260 M339L165-L187 HydrophobicContact CG-CD2 4.17Å; V166-L187 HydrophobicContact CG2-CD1 4.21Å; V166-L187 HydrophobicContact CG2-CD2 4.09Å; A169-L187 HydrophobicContact CB-CD2 4.12Å; F175-L187 HydrophobicContact CE2-CG 4.5Å; F175-L187 HydrophobicContact CZ-CD1 3.95Å; F175-L187 HydrophobicContact CZ-CG 4.15Å; Q183-L187 WeakPolarHBondContact O-CB 3.28Å; Q183-L187 WeakPolarHBondContact O-CG 3.49Å; Q183-L187 PolarHBondContact O-N 3.16Å; V184-L187 PolarHBondContact O-N 3.23Å; L187-F260 HydrophobicContact CD2-CE2 3.92Å; L187-F260 HydrophobicContact CD2-CZ 4.24Å; L187-F260 HydrophobicContact CG-CE2 4.23Å; L187-F260 HydrophobicContact CG-CZ 4.35Å; L187-M339 HydrophobicContact CB-CE 4.23Å; L187-M339 WeakPolarHBondContact O-CE 3.24Å
188R96.3Very high97.4Very high110 Ų11031.4 Ų31.442%0.41517%0.172SC..Hα-helixtrans-87.2-32.6179.2-72177.5173.4163.3-2.9113.5V184 S185 L186 H190 E338 M339V184-R188 HydrophobicContact CG1-CG 4.47Å; V184-R188 WeakPolarHBondContact O-CB 3.4Å; V184-R188 WeakPolarHBondContact O-CG 3.37Å; V184-R188 PolarHBondContact O-N 3.05Å; S185-R188 PolarHBondContact O-N 3.12Å; L186-R188 PolarHBondContact O-N 3.33Å; R188-H190 PolarHBondContact O-N 3.29Å; R188-E338 IonicContact NH2-OE2 3.6Å; R188-E338 PolarHBondContact NH2-OE2 3.31Å; R188-M339 HydrophobicContact CG-CG 4.48Å
189A96.6Very high97.5Very high37 Ų3731.6 Ų31.631%0.30617%0.173SC..Hα-helixtrans-55.3-46.6-169.100000113.8S185 L186 A265S185-A189 WeakPolarHBondContact O-CB 3.5Å; S185-A189 PolarHBondContact O-N 3.47Å; L186-A189 PolarHBondContact O-N 3.05Å; A189-A265 HydrophobicContact CB-CB 3.69Å
190H97.7Very high97.6Very high27 Ų2729.3 Ų29.313%0.12516%0.158CC..THydrogen-bonded Turntrans-130.835.1-174.3-64.4-62.6000113.1R188 G192 E193 H194 V259 D262R188-H190 PolarHBondContact O-N 3.29Å; H190-G192 PolarHBondContact O-N 2.94Å; H190-E193 VanDerWaalsContact C-OE2 3.24Å; H190-E193 WeakPolarHBondContact CA-OE2 3.45Å; H190-E193 HydrophobicContact CB-CB 4.23Å; H190-E193 HydrophobicContact CB-CG 4.4Å; H190-E193 IonicContact CE1-OE1 2.91Å; H190-E193 IonicContact CG-OE1 2.7Å; H190-E193 IonicContact ND1-OE1 3.96Å; H190-E193 PolarHBondContact ND1-OE1 3.25Å; H190-E193 IonicContact ND1-OE2 3.22Å; H190-E193 PolarHBondContact O-N 2.92Å; H190-H194 PolarHBondContact O-CD2 3.23Å; H190-H194 PolarHBondContact O-N 2.98Å; H190-H194 VanDerWaalsContact O-N 3.12Å; H190-V259 HydrophobicContact CB-CG1 3.62Å; H190-V259 PolarHBondContact CD2-O 3.35Å; H190-V259 VanDerWaalsContact CD2-O 3.27Å; H190-D262 WeakPolarHBondContact NE2-CB 3.41Å; H190-D262 IonicContact NE2-OD2 2.82Å; H190-D262 PolarHBondContact NE2-OD2 3.48Å
191A98.1Very high97.6Very high1 Ų124.9 Ų24.91%0.00813%0.133CC..Hα-helixtrans-59-36.2-177.900000112.6L162 H194 L195 M339 L340L162-A191 HydrophobicContact CD2-CB 3.87Å; A191-H194 PolarHBondContact O-N 2.82Å; A191-L195 WeakPolarHBondContact O-CG 3.36Å; A191-L195 PolarHBondContact O-N 3.27Å; A191-M339 HydrophobicContact CB-CB 4.04Å; A191-M339 HydrophobicContact CB-CE 4.1Å; A191-M339 WeakPolarHBondContact CB-O 3.45Å; A191-L340 HydrophobicContact CB-CD2 3.78Å
192G98.3Very high97.6Very high2 Ų223.4 Ų23.42%0.02112%0.121CC..Hα-helixtrans-68.2-42.8178.400000112.6H190 H194 L195 L196H190-G192 PolarHBondContact O-N 2.94Å; G192-H194 VanDerWaalsContact C-N 3.29Å; G192-H194 PolarHBondContact O-N 3.13Å; G192-L195 WeakPolarHBondContact O-CB 3.47Å; G192-L195 PolarHBondContact O-N 3.3Å; G192-L195 VanDerWaalsContact O-N 3.16Å; G192-L196 PolarHBondContact O-N 3.44Å
193E98.7Very high97.5Very high16 Ų1623.1 Ų23.18%0.07512%0.12CC..Hα-helixtrans-61-40176.3-67.989.1149.200110.8H190 L196 L197 V259 L310 Q311 T314H190-E193 VanDerWaalsContact C-OE2 3.24Å; H190-E193 WeakPolarHBondContact CA-OE2 3.45Å; H190-E193 HydrophobicContact CB-CB 4.23Å; H190-E193 HydrophobicContact CB-CG 4.4Å; H190-E193 IonicContact CE1-OE1 2.91Å; H190-E193 IonicContact CG-OE1 2.7Å; H190-E193 IonicContact ND1-OE1 3.96Å; H190-E193 PolarHBondContact ND1-OE1 3.25Å; H190-E193 IonicContact ND1-OE2 3.22Å; H190-E193 PolarHBondContact O-N 2.92Å; E193-L196 PolarHBondContact O-N 3.15Å; E193-L197 WeakPolarHBondContact O-CB 3.49Å; E193-L197 WeakPolarHBondContact O-CG 3.23Å; E193-L197 PolarHBondContact O-N 2.93Å; E193-V259 HydrophobicContact CB-CG1 3.89Å; E193-L310 HydrophobicContact CB-CD1 4.43Å; E193-L310 HydrophobicContact CB-CD2 3.87Å; E193-L310 HydrophobicContact CB-CG 3.97Å; E193-L310 HydrophobicContact CG-CD2 4.24Å; E193-L310 HydrophobicContact CG-CG 4.01Å; E193-Q311 HydrophobicContact CG-CG 4.34Å; E193-T314 HydrophobicContact CG-CG2 4.25Å
194H98.6Very high97.4Very high10 Ų1023.2 Ų23.25%0.04612%0.12CC..Hα-helixtrans-64.4-39.4174.8-75.5-62.6000113.3L165 H190 A191 G192 G198 K256 F260L165-H194 HydrophobicContact CD1-CB 3.93Å; L165-H194 HydrophobicContact CD2-CB 3.82Å; L165-H194 HydrophobicContact CG-CB 4.48Å; H190-H194 PolarHBondContact O-CD2 3.23Å; H190-H194 PolarHBondContact O-N 2.98Å; H190-H194 VanDerWaalsContact O-N 3.12Å; A191-H194 PolarHBondContact O-N 2.82Å; G192-H194 VanDerWaalsContact C-N 3.29Å; G192-H194 PolarHBondContact O-N 3.13Å; H194-G198 PolarHBondContact O-N 3.5Å; H194-K256 PolarHBondContact CE1-O 3.4Å; H194-K256 VanDerWaalsContact CE1-O 3.28Å; H194-F260 AromaticContact NE2-CD2 3.51Å
195L98.4Very high97.3Very high18 Ų1825.4 Ų25.49%0.09414%0.136CC..Hα-helixtrans-62.2-44.7174.2-69173.8000111.1M158 Q161 L162 A191 G192 G198 V199 L340M158-L195 HydrophobicContact CB-CD1 3.99Å; M158-L195 HydrophobicContact CG-CD1 4.01Å; M158-L195 HydrophobicContact SD-CD1 4.49Å; Q161-L195 HydrophobicContact CB-CD2 3.42Å; Q161-L195 VanDerWaalsContact CB-CD2 3.42Å; Q161-L195 HydrophobicContact CG-CD2 4.48Å; L162-L195 HydrophobicContact CD2-CD1 4.02Å; L162-L195 HydrophobicContact CD2-CD2 4.13Å; L162-L195 HydrophobicContact CD2-CG 4.04Å; L162-L195 HydrophobicContact CG-CD1 4.24Å; L162-L195 HydrophobicContact CG-CD2 4.18Å; L162-L195 HydrophobicContact CG-CG 4.48Å; A191-L195 WeakPolarHBondContact O-CG 3.36Å; A191-L195 PolarHBondContact O-N 3.27Å; G192-L195 WeakPolarHBondContact O-CB 3.47Å; G192-L195 PolarHBondContact O-N 3.3Å; G192-L195 VanDerWaalsContact O-N 3.16Å; L195-G198 PolarHBondContact O-N 2.92Å; L195-V199 WeakPolarHBondContact O-CG1 3.46Å; L195-V199 PolarHBondContact O-N 3.29Å; L195-L340 HydrophobicContact CD1-CD1 3.89Å; L195-L340 HydrophobicContact CD1-CD2 4.1Å
196L98.7Very high97.1Very high4 Ų427 Ų272%0.02114%0.14CC..Hα-helixtrans-67.9-42.7179.6-68.9-159.6000112.7G192 E193 G198 V199 A200 I234 L238 L310 I313 T314 M317G192-L196 PolarHBondContact O-N 3.44Å; E193-L196 PolarHBondContact O-N 3.15Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-G198 PolarHBondContact O-N 3.1Å; L196-V199 HydrophobicContact CD2-CG1 4.35Å; L196-V199 VanDerWaalsContact O-CG1 3.32Å; L196-V199 WeakPolarHBondContact O-CG1 3.44Å; L196-V199 PolarHBondContact O-N 2.76Å; L196-A200 VanDerWaalsContact O-CB 3.24Å; L196-A200 WeakPolarHBondContact O-CB 3.42Å; L196-A200 PolarHBondContact O-N 2.77Å; L196-I234 HydrophobicContact CD2-CD1 3.57Å; L196-I234 HydrophobicContact CD2-CG1 4.21Å; L196-L238 HydrophobicContact CB-CD1 4.38Å; L196-L310 HydrophobicContact CB-CD1 3.64Å; L196-I313 HydrophobicContact CD1-CB 3.84Å; L196-I313 HydrophobicContact CD1-CG2 3.53Å; L196-T314 WeakPolarHBondContact CD1-OG1 3.4Å; L196-M317 HydrophobicContact CD2-SD 3.51Å; L196-M317 VanDerWaalsContact CD2-SD 3.51Å; L196-M317 HydrophobicContact CG-SD 4.06Å
197L98.4Very high96.7Very high4 Ų434.6 Ų34.62%0.02117%0.173CC..Hα-helixtrans-59.3-43.5172.6-79.3174.6000111.7E193 K201 F242 Y252 V259 L310E193-L197 WeakPolarHBondContact O-CB 3.49Å; E193-L197 WeakPolarHBondContact O-CG 3.23Å; E193-L197 PolarHBondContact O-N 2.93Å; L197-K201 WeakPolarHBondContact O-CB 3.49Å; L197-K201 PolarHBondContact O-N 3.5Å; L197-F242 HydrophobicContact CD2-CZ 3.71Å; L197-Y252 HydrophobicContact CB-CE2 4.16Å; L197-Y252 PolarHBondContact O-OH 3.42Å; L197-V259 HydrophobicContact CD1-CG2 4.24Å; L197-L310 HydrophobicContact CD1-CD2 3.69Å; L197-L310 HydrophobicContact CD2-CD1 4.29Å; L197-L310 HydrophobicContact CD2-CD2 3.83Å; L197-L310 HydrophobicContact CG-CD1 3.97Å; L197-L310 HydrophobicContact CG-CD2 3.54Å; L197-L310 HydrophobicContact CG-CG 4.4Å
198G97.3Very high96.5Very high15 Ų1537.6 Ų37.616%0.15519%0.189CC..Hα-helixtrans-63.2-48178.900000112.8H194 L195 L196 R202 Y252H194-G198 PolarHBondContact O-N 3.5Å; L195-G198 PolarHBondContact O-N 2.92Å; L196-G198 VanDerWaalsContact C-N 3.32Å; L196-G198 PolarHBondContact O-N 3.1Å; G198-R202 VanDerWaalsContact O-CB 3.29Å; G198-R202 WeakPolarHBondContact O-CB 3.39Å; G198-R202 PolarHBondContact O-N 2.97Å; G198-Y252 WeakPolarHBondContact CA-OH 3.15Å
199V97.6Very high96.4Very high11 Ų1133.2 Ų33.27%0.06717%0.173CC..Hα-helixtrans-68.2-37.3177.870.60000112.1L195 L196 S203 L210 L212 I234L195-V199 WeakPolarHBondContact O-CG1 3.46Å; L195-V199 PolarHBondContact O-N 3.29Å; L196-V199 HydrophobicContact CD2-CG1 4.35Å; L196-V199 VanDerWaalsContact O-CG1 3.32Å; L196-V199 WeakPolarHBondContact O-CG1 3.44Å; L196-V199 PolarHBondContact O-N 2.76Å; V199-S203 WeakPolarHBondContact O-CB 3.27Å; V199-S203 PolarHBondContact O-N 3.38Å; V199-S203 PolarHBondContact O-OG 3.38Å; V199-L210 HydrophobicContact CG2-CB 4.02Å; V199-L212 HydrophobicContact CG2-CD2 4.26Å; V199-I234 HydrophobicContact CG1-CD1 4.48Å; V199-I234 HydrophobicContact CG1-CG2 4.32Å
200A98.3Very high96.4Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-63.2-51.7176.900000111.3L196 R202 S203 M204 I234 L238 V239 F242L196-A200 VanDerWaalsContact O-CB 3.24Å; L196-A200 WeakPolarHBondContact O-CB 3.42Å; L196-A200 PolarHBondContact O-N 2.77Å; A200-R202 PolarHBondContact O-N 2.89Å; A200-S203 PolarHBondContact O-N 3.07Å; A200-S203 VanDerWaalsContact O-N 3.1Å; A200-M204 PolarHBondContact O-N 3.15Å; A200-I234 HydrophobicContact CB-CG2 4.31Å; A200-L238 HydrophobicContact CB-CB 3.89Å; A200-L238 HydrophobicContact CB-CD1 4.46Å; A200-V239 HydrophobicContact CB-CG2 4.07Å; A200-F242 HydrophobicContact CB-CE2 4.37Å
201K97Very high96.3Very high35 Ų3531 Ų3115%0.15216%0.157CC..Hα-helixtrans-58.8-45.3177.8179.355.7170.8171.80112.2L197 S203 M204 F242 I247 D249 Y252L197-K201 WeakPolarHBondContact O-CB 3.49Å; L197-K201 PolarHBondContact O-N 3.5Å; K201-S203 PolarHBondContact O-N 3.31Å; K201-M204 HydrophobicContact CD-SD 3.52Å; K201-M204 VanDerWaalsContact CD-SD 3.52Å; K201-M204 WeakPolarHBondContact O-CG 3.34Å; K201-M204 PolarHBondContact O-N 3.06Å; K201-F242 HydrophobicContact CB-CD2 4.49Å; K201-F242 HydrophobicContact CB-CE2 4.18Å; K201-I247 PolarHBondContact NZ-O 2.99Å; K201-D249 WeakPolarHBondContact CE-OD1 3.47Å; K201-D249 IonicContact NZ-OD1 3Å; K201-D249 PolarHBondContact NZ-OD1 3.22Å; K201-Y252 HydrophobicContact CB-CD2 3.93Å; K201-Y252 HydrophobicContact CB-CE1 4.47Å; K201-Y252 HydrophobicContact CB-CE2 3.5Å; K201-Y252 VanDerWaalsContact CB-CE2 3.5Å; K201-Y252 HydrophobicContact CD-CD2 4.2Å; K201-Y252 HydrophobicContact CD-CG 4.22Å; K201-Y252 HydrophobicContact CG-CD1 4.18Å; K201-Y252 HydrophobicContact CG-CD2 3.93Å; K201-Y252 HydrophobicContact CG-CE1 4.12Å; K201-Y252 HydrophobicContact CG-CE2 3.86Å; K201-Y252 HydrophobicContact CG-CG 4.08Å
202R95.2Very high96.1Very high62 Ų6231.5 Ų31.523%0.23416%0.159CC..Hα-helixtrans-66-26.7177.9-175.8170.657.8-103.6-7.7113.1G198 A200 P205 L211G198-R202 VanDerWaalsContact O-CB 3.29Å; G198-R202 WeakPolarHBondContact O-CB 3.39Å; G198-R202 PolarHBondContact O-N 2.97Å; A200-R202 PolarHBondContact O-N 2.89Å; R202-P205 WeakPolarHBondContact O-CD 3.46Å; R202-L211 HydrophobicContact CG-CB 4.5Å; R202-L211 HydrophobicContact CG-CD2 4.13Å; R202-L211 HydrophobicContact CG-CG 4.41Å; R202-L211 VanDerWaalsContact CZ-O 3.28Å; R202-L211 PolarHBondContact NE-O 3.22Å; R202-L211 PolarHBondContact NH2-O 3.32Å
203S96.6Very high95.8Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-90.5-7-177.7-53.10000113.9V199 A200 K201 P205 F206 L210 L211V199-S203 WeakPolarHBondContact O-CB 3.27Å; V199-S203 PolarHBondContact O-N 3.38Å; V199-S203 PolarHBondContact O-OG 3.38Å; A200-S203 PolarHBondContact O-N 3.07Å; A200-S203 VanDerWaalsContact O-N 3.1Å; K201-S203 PolarHBondContact O-N 3.31Å; S203-P205 VanDerWaalsContact C-N 3.3Å; S203-P205 VanDerWaalsContact O-N 3.17Å; S203-F206 PolarHBondContact O-N 3.25Å; S203-L210 WeakPolarHBondContact OG-CA 3.47Å; S203-L211 PolarHBondContact OG-N 3.13Å
204M95.8Very high95.4Very high34 Ų3433.3 Ų33.317%0.16717%0.17CC..THydrogen-bonded Turntrans-51.2-34.7178.7-71.5179.26700115.5A200 K201 F206 F242 Q243 I247A200-M204 PolarHBondContact O-N 3.15Å; K201-M204 HydrophobicContact CD-SD 3.52Å; K201-M204 VanDerWaalsContact CD-SD 3.52Å; K201-M204 WeakPolarHBondContact O-CG 3.34Å; K201-M204 PolarHBondContact O-N 3.06Å; M204-F206 PolarHBondContact O-N 3.33Å; M204-F242 HydrophobicContact CE-CB 3.99Å; M204-F242 WeakPolarHBondContact CE-O 3.48Å; M204-F242 HydrophobicContact CG-CB 3.99Å; M204-F242 HydrophobicContact CG-CD2 4.26Å; M204-F242 HydrophobicContact SD-CB 3.8Å; M204-F242 HydrophobicContact SD-CD2 3.81Å; M204-F242 HydrophobicContact SD-CG 4.32Å; M204-Q243 HydrophobicContact CB-CG 4.46Å; M204-Q243 PolarHBondContact O-NE2 2.85Å; M204-I247 HydrophobicContact CE-CG2 3.98Å; M204-I247 HydrophobicContact SD-CG2 3.89Å
205P94.1Very high95Very high105 Ų10533.6 Ų33.668%0.68218%0.176SC*.THydrogen-bonded Turntrans-74.2-10.9178.6-20.235.1000114.5R202 S203R202-P205 WeakPolarHBondContact O-CD 3.46Å; S203-P205 VanDerWaalsContact C-N 3.3Å; S203-P205 VanDerWaalsContact O-N 3.17Å
206F92.1Very high94.7Very high56 Ų5633.3 Ų33.325%0.24618%0.175CC..  trans-111.9162.5-170.3-52.1-71.3000111.7S203 M204 F209 L211S203-F206 PolarHBondContact O-N 3.25Å; M204-F206 PolarHBondContact O-N 3.33Å; F206-F209 HydrophobicContact CB-CD2 4.2Å; F206-F209 HydrophobicContact CB-CE1 3.96Å; F206-F209 HydrophobicContact CB-CE2 3.6Å; F206-F209 HydrophobicContact CB-CZ 3.49Å; F206-F209 VanDerWaalsContact CB-CZ 3.49Å; F206-F209 HydrophobicContact CD1-CE1 4.4Å; F206-F209 AromaticContact CD1-CE2 3.81Å; F206-F209 HydrophobicContact CD1-CE2 3.81Å; F206-F209 AromaticContact CD1-CZ 3.42Å; F206-F209 HydrophobicContact CD1-CZ 3.42Å; F206-F209 VanDerWaalsContact CD1-CZ 3.42Å; F206-F209 HydrophobicContact CD2-CE2 4.09Å; F206-F209 HydrophobicContact CD2-CZ 4.48Å; F206-F209 HydrophobicContact CE1-CZ 4.28Å; F206-F209 HydrophobicContact CG-CE1 4.45Å; F206-F209 AromaticContact CG-CE2 3.55Å; F206-F209 HydrophobicContact CG-CE2 3.55Å; F206-F209 AromaticContact CG-CZ 3.53Å; F206-F209 HydrophobicContact CG-CZ 3.53Å; F206-L211 HydrophobicContact CD2-CB 4.25Å; F206-L211 HydrophobicContact CE2-CB 4.09Å; F206-L211 HydrophobicContact CE2-CD2 3.56Å; F206-L211 HydrophobicContact CE2-CG 4.44Å; F206-L211 HydrophobicContact CZ-CD2 3.95Å
207K90.3Very high94.5Very high161 Ų16133.2 Ų33.270%0.718%0.175SC*.SBendtrans-122.1137.4179.5-165.4-172.9172.7178.50110F209K207-F209 WeakPolarHBondContact O-CD1 3.34Å; K207-F209 PolarHBondContact O-N 2.94Å; K207-F209 VanDerWaalsContact O-N 3.09Å
208D91.9Very high94.3Very high82 Ų8234 Ų3444%0.43918%0.179SC..SBendtrans6310.6172.9-60.2-49.6000116.2R220D208-R220 WeakPolarHBondContact O-CB 3.41Å; D208-R220 PolarHBondContact O-N 2.75Å
209F94.5Very high94.1Very high18 Ų1836.6 Ų36.68%0.07919%0.186CC..EExtended strand (participates in β ladder)trans-149.1155.6170.666.5-95.9000112.6V143 F206 K207 V217 I218V143-F209 HydrophobicContact CG1-CE1 3.67Å; V143-F209 HydrophobicContact CG1-CZ 3.9Å; V143-F209 HydrophobicContact CG2-CZ 4.23Å; F206-F209 HydrophobicContact CB-CD2 4.2Å; F206-F209 HydrophobicContact CB-CE1 3.96Å; F206-F209 HydrophobicContact CB-CE2 3.6Å; F206-F209 HydrophobicContact CB-CZ 3.49Å; F206-F209 VanDerWaalsContact CB-CZ 3.49Å; F206-F209 HydrophobicContact CD1-CE1 4.4Å; F206-F209 AromaticContact CD1-CE2 3.81Å; F206-F209 HydrophobicContact CD1-CE2 3.81Å; F206-F209 AromaticContact CD1-CZ 3.42Å; F206-F209 HydrophobicContact CD1-CZ 3.42Å; F206-F209 VanDerWaalsContact CD1-CZ 3.42Å; F206-F209 HydrophobicContact CD2-CE2 4.09Å; F206-F209 HydrophobicContact CD2-CZ 4.48Å; F206-F209 HydrophobicContact CE1-CZ 4.28Å; F206-F209 HydrophobicContact CG-CE1 4.45Å; F206-F209 AromaticContact CG-CE2 3.55Å; F206-F209 HydrophobicContact CG-CE2 3.55Å; F206-F209 AromaticContact CG-CZ 3.53Å; F206-F209 HydrophobicContact CG-CZ 3.53Å; K207-F209 WeakPolarHBondContact O-CD1 3.34Å; K207-F209 PolarHBondContact O-N 2.94Å; K207-F209 VanDerWaalsContact O-N 3.09Å; F209-V217 HydrophobicContact CD2-CB 4.06Å; F209-V217 HydrophobicContact CD2-CG1 3.59Å; F209-V217 HydrophobicContact CE2-CG1 3.83Å; F209-V217 HydrophobicContact CG-CG1 4.5Å; F209-I218 CarbonylContact C-O 3.53Å; F209-I218 VanDerWaalsContact CA-O 3.27Å; F209-I218 WeakPolarHBondContact CA-O 3.46Å; F209-I218 WeakPolarHBondContact CB-O 3.46Å
210L96.9Very high93.9Very high2 Ų239 Ų391%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-100.8133.8173.3-60.7175.4000110.5V199 S203 V217 I218 A231 I234 L235 V239V199-L210 HydrophobicContact CG2-CB 4.02Å; S203-L210 WeakPolarHBondContact OG-CA 3.47Å; L210-V217 VanDerWaalsContact O-CA 3.26Å; L210-V217 WeakPolarHBondContact O-CA 3.45Å; L210-I218 HydrophobicContact CB-CB 4.35Å; L210-I218 PolarHBondContact N-O 3.04Å; L210-I218 PolarHBondContact O-N 2.92Å; L210-A231 HydrophobicContact CD1-CB 3.71Å; L210-I234 HydrophobicContact CD1-CB 3.99Å; L210-I234 HydrophobicContact CD1-CD1 3.83Å; L210-I234 HydrophobicContact CD1-CG2 3.97Å; L210-I234 HydrophobicContact CD2-CB 4.35Å; L210-I234 HydrophobicContact CD2-CG2 3.7Å; L210-L235 HydrophobicContact CD2-CD2 3.61Å; L210-L235 HydrophobicContact CD2-CG 3.87Å; L210-L235 HydrophobicContact CG-CD2 4.2Å; L210-L235 HydrophobicContact CG-CG 4.17Å; L210-V239 HydrophobicContact CD2-CG2 4.04Å
211L94.9Very high93.5Very high16 Ų1646 Ų468%0.08423%0.232CC..EExtended strand (participates in β ladder)trans-93.2118.4174.8-179.562.5000110.6V138 R202 S203 F206 V217V138-L211 HydrophobicContact CG1-CD1 4.34Å; V138-L211 HydrophobicContact CG1-CD2 4.38Å; R202-L211 HydrophobicContact CG-CB 4.5Å; R202-L211 HydrophobicContact CG-CD2 4.13Å; R202-L211 HydrophobicContact CG-CG 4.41Å; R202-L211 VanDerWaalsContact CZ-O 3.28Å; R202-L211 PolarHBondContact NE-O 3.22Å; R202-L211 PolarHBondContact NH2-O 3.32Å; S203-L211 PolarHBondContact OG-N 3.13Å; F206-L211 HydrophobicContact CD2-CB 4.25Å; F206-L211 HydrophobicContact CE2-CB 4.09Å; F206-L211 HydrophobicContact CE2-CD2 3.56Å; F206-L211 HydrophobicContact CE2-CG 4.44Å; F206-L211 HydrophobicContact CZ-CD2 3.95Å; L211-V217 HydrophobicContact CD1-CG1 4.01Å
212L94.9Very high93Very high11 Ų1145.8 Ų45.86%0.05824%0.239CC..PPolyproline II helixtrans-79.9163.3178.1-59.6-175.4000112.3A149 V154 V199 N214 G215 C216 I218A149-L212 HydrophobicContact CB-CD1 3.64Å; V154-L212 HydrophobicContact CG2-CD1 3.97Å; V199-L212 HydrophobicContact CG2-CD2 4.26Å; L212-N214 VanDerWaalsContact CB-OD1 3.25Å; L212-N214 WeakPolarHBondContact CB-OD1 3.29Å; L212-N214 PolarHBondContact O-N 3.42Å; L212-G215 PolarHBondContact O-N 2.95Å; L212-G215 VanDerWaalsContact O-N 3.12Å; L212-C216 VanDerWaalsContact CB-O 3.27Å; L212-C216 WeakPolarHBondContact CB-O 3.44Å; L212-C216 HydrophobicContact CD1-CB 4.22Å; L212-C216 WeakPolarHBondContact CG-O 3.27Å; L212-C216 PolarHBondContact N-O 3.37Å; L212-I218 HydrophobicContact CD1-CD1 4.28Å; L212-I218 HydrophobicContact CD1-CG1 4.11Å; L212-I218 HydrophobicContact CD2-CD1 3.84Å; L212-I218 HydrophobicContact CD2-CG1 4.21Å; L212-I218 HydrophobicContact CG-CD1 4.41Å; L212-I218 HydrophobicContact CG-CG1 4.28Å
213G91.2Very high92.5Very high3 Ų348.2 Ų48.23%0.03126%0.263CS..THydrogen-bonded Turntrans-69.2-20.3-178.400000113.7I135 S157I135-G213 WeakPolarHBondContact CG2-O 3.34Å; S157-G213 PolarHBondContact OG-N 2.7Å
214N91.2Very high92.1Very high52 Ų5251.9 Ų51.928%0.27828%0.28SS..THydrogen-bonded Turntrans-93.38.1174.2630000113.3D153 L212 C216D153-N214 PolarHBondContact O-ND2 3.04Å; L212-N214 VanDerWaalsContact CB-OD1 3.25Å; L212-N214 WeakPolarHBondContact CB-OD1 3.29Å; L212-N214 PolarHBondContact O-N 3.42Å; N214-C216 VanDerWaalsContact C-N 3.33Å; N214-C216 PolarHBondContact O-N 3.08Å; N214-C216 PolarHBondContact OD1-N 3.44Å
215G89.8Confident91.6Very high17 Ų1753.6 Ų53.618%0.17529%0.294CS..SBendtrans82.1-2.7177.600000115.9V146 L212V146-G215 WeakPolarHBondContact CG1-O 3.29Å; L212-G215 PolarHBondContact O-N 2.95Å; L212-G215 VanDerWaalsContact O-N 3.12Å
216C92.2Very high91.2Very high12 Ų1251.2 Ų51.28%0.08127%0.273CS..  trans-75.6162.4170.4-640000111.1K147 A149 D153 L212 N214K147-C216 WeakPolarHBondContact O-CA 3.43Å; A149-C216 HydrophobicContact CB-CB 3.82Å; D153-C216 HydrophobicContact CB-CB 4.48Å; L212-C216 VanDerWaalsContact CB-O 3.27Å; L212-C216 WeakPolarHBondContact CB-O 3.44Å; L212-C216 HydrophobicContact CD1-CB 4.22Å; L212-C216 WeakPolarHBondContact CG-O 3.27Å; L212-C216 PolarHBondContact N-O 3.37Å; N214-C216 VanDerWaalsContact C-N 3.33Å; N214-C216 PolarHBondContact O-N 3.08Å; N214-C216 PolarHBondContact OD1-N 3.44Å
217V93.9Very high91.1Very high2 Ų249.8 Ų49.81%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-121.4145.1179-700000113.4V146 K147 S148 A149 F209 L210 L211 H219V146-V217 HydrophobicContact CB-CG1 4.07Å; V146-V217 HydrophobicContact CB-CG2 3.99Å; V146-V217 HydrophobicContact CG1-CB 4.15Å; V146-V217 HydrophobicContact CG1-CG1 3.39Å; V146-V217 HydrophobicContact CG1-CG2 3.85Å; K147-V217 PolarHBondContact O-N 2.96Å; S148-V217 WeakPolarHBondContact CA-O 3.36Å; A149-V217 WeakPolarHBondContact CB-O 3.4Å; A149-V217 PolarHBondContact N-O 3.28Å; F209-V217 HydrophobicContact CD2-CB 4.06Å; F209-V217 HydrophobicContact CD2-CG1 3.59Å; F209-V217 HydrophobicContact CE2-CG1 3.83Å; F209-V217 HydrophobicContact CG-CG1 4.5Å; L210-V217 VanDerWaalsContact O-CA 3.26Å; L210-V217 WeakPolarHBondContact O-CA 3.45Å; L211-V217 HydrophobicContact CD1-CG1 4.01Å; V217-H219 WeakPolarHBondContact CG2-NE2 3.47Å
218I95.2Very high91.2Very high20 Ų2042.7 Ų42.710%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-106.6106.7167.5-54.4173.2000107.4A149 V154 F209 L210 L212 I227 A231A149-I218 HydrophobicContact CB-CG1 4.1Å; V154-I218 HydrophobicContact CG2-CD1 3.82Å; V154-I218 HydrophobicContact CG2-CG1 4.24Å; F209-I218 CarbonylContact C-O 3.53Å; F209-I218 VanDerWaalsContact CA-O 3.27Å; F209-I218 WeakPolarHBondContact CA-O 3.46Å; F209-I218 WeakPolarHBondContact CB-O 3.46Å; L210-I218 HydrophobicContact CB-CB 4.35Å; L210-I218 PolarHBondContact N-O 3.04Å; L210-I218 PolarHBondContact O-N 2.92Å; L212-I218 HydrophobicContact CD1-CD1 4.28Å; L212-I218 HydrophobicContact CD1-CG1 4.11Å; L212-I218 HydrophobicContact CD2-CD1 3.84Å; L212-I218 HydrophobicContact CD2-CG1 4.21Å; L212-I218 HydrophobicContact CG-CD1 4.41Å; L212-I218 HydrophobicContact CG-CG1 4.28Å; I218-I227 HydrophobicContact CD1-CG2 3.89Å; I218-I227 HydrophobicContact CG1-CG2 4.38Å; I218-I227 HydrophobicContact CG2-CG2 3.68Å; I218-A231 HydrophobicContact CB-CB 4.49Å; I218-A231 HydrophobicContact CG2-CB 3.62Å
219H93.3Very high91.3Very high69 Ų6945 Ų4532%0.31924%0.241SC..EExtended strand (participates in β ladder)trans-71.3147.1172.7-65-79.5000110.6S148 V217 N221 G222S148-H219 PolarHBondContact OG-CD2 3.33Å; V217-H219 WeakPolarHBondContact CG2-NE2 3.47Å; H219-N221 PolarHBondContact O-N 2.64Å; H219-G222 PolarHBondContact O-N 3.39Å
220R93.2Very high91.4Very high63 Ų6344.8 Ų44.824%0.23824%0.241CC..THydrogen-bonded Turntrans-53.2-41.7174.2-171.7-178.6-171.696.97.8112.4D208 C228 L235 D236D208-R220 WeakPolarHBondContact O-CB 3.41Å; D208-R220 PolarHBondContact O-N 2.75Å; R220-C228 WeakPolarHBondContact O-CB 3.26Å; R220-L235 HydrophobicContact CB-CD1 3.95Å; R220-L235 HydrophobicContact CG-CD1 4.22Å; R220-D236 IonicContact CZ-OD1 3.77Å; R220-D236 VanDerWaalsContact CZ-OD1 3.27Å; R220-D236 IonicContact CZ-OD2 3.73Å; R220-D236 IonicContact NH1-OD1 2.82Å; R220-D236 PolarHBondContact NH1-OD1 3.28Å; R220-D236 IonicContact NH1-OD2 2.79Å; R220-D236 IonicContact NH2-OD1 3.75Å; R220-D236 PolarHBondContact NH2-OD1 3.22Å; R220-D236 IonicContact NH2-OD2 2.78Å; R220-D236 PolarHBondContact NH2-OD2 2.95Å
221N89Confident91.4Very high147 Ų14744.8 Ų44.879%0.78624%0.242SC*.THydrogen-bonded Turntrans-114.171.3178.6-60-32.3000109.5H219H219-N221 PolarHBondContact O-N 2.64Å
222G86.8Confident91.5Very high29 Ų2945.3 Ų45.330%0.29925%0.246SC..  trans-95.9177.3177.200000113.7H219 E224 C228H219-G222 PolarHBondContact O-N 3.39Å; G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.32Å; G222-C228 WeakPolarHBondContact CA-SG 3.47Å; G222-C228 PolarHBondContact N-SG 2.83Å
223P85.4Confident91.7Very high113 Ų11347.2 Ų47.273%0.73425%0.253SS*.SBendtrans-73.6-17.7-179.729.7-34.8000114.1P225P223-P225 VanDerWaalsContact O-CD 3.29Å; P223-P225 WeakPolarHBondContact O-CD 3.39Å
224E86.9Confident92Very high78 Ų7847.4 Ų47.436%0.36425%0.253SS..  trans-10393.3-176.8-65.3-66.7165.800110.6G222 E226 I227 C228G222-E224 VanDerWaalsContact C-N 3.3Å; G222-E224 PolarHBondContact O-N 3.32Å; E224-E226 VanDerWaalsContact C-N 3.35Å; E224-E226 PolarHBondContact O-N 3.49Å; E224-I227 HydrophobicContact CB-CB 4.13Å; E224-I227 HydrophobicContact CB-CD1 4.11Å; E224-I227 HydrophobicContact CB-CG1 4.32Å; E224-I227 HydrophobicContact CG-CD1 4.42Å; E224-I227 PolarHBondContact O-N 3.26Å; E224-C228 PolarHBondContact O-N 3.06Å; E224-C228 PolarHBondContact O-SG 2.97Å
225P86.8Confident92.4Very high69 Ų6945.5 Ų45.545%0.44824%0.243SC..Hα-helixtrans-66.7-31.2-16823.9-30.4000113.7P223 C228 R229P223-P225 VanDerWaalsContact O-CD 3.29Å; P223-P225 WeakPolarHBondContact O-CD 3.39Å; P225-C228 PolarHBondContact O-N 2.91Å; P225-R229 WeakPolarHBondContact O-CG 3.15Å; P225-R229 PolarHBondContact O-N 2.89Å; P225-R229 PolarHBondContact O-NE 3.12Å
226E85.4Confident92.8Very high55 Ų5548.4 Ų48.426%0.25725%0.254SS..Hα-helixtrans-61.7-46.1175.2-70.559-128.700111.2E224 R229E224-E226 VanDerWaalsContact C-N 3.35Å; E224-E226 PolarHBondContact O-N 3.49Å; E226-R229 IonicContact OE1-NH2 2.67Å; E226-R229 PolarHBondContact OE1-NH2 2.93Å
227I89.7Confident93.1Very high26 Ų2651 Ų5113%0.13327%0.265CS..Hα-helixtrans-69.1-43.1177.9-65.9177.1000110V151 V154 I218 E224 R229 V230 A231V151-I227 HydrophobicContact CB-CD1 4.28Å; V151-I227 HydrophobicContact CG2-CD1 3.75Å; V154-I227 HydrophobicContact CG2-CD1 4.33Å; I218-I227 HydrophobicContact CD1-CG2 3.89Å; I218-I227 HydrophobicContact CG1-CG2 4.38Å; I218-I227 HydrophobicContact CG2-CG2 3.68Å; E224-I227 HydrophobicContact CB-CB 4.13Å; E224-I227 HydrophobicContact CB-CD1 4.11Å; E224-I227 HydrophobicContact CB-CG1 4.32Å; E224-I227 HydrophobicContact CG-CD1 4.42Å; E224-I227 PolarHBondContact O-N 3.26Å; I227-R229 VanDerWaalsContact C-N 3.26Å; I227-R229 PolarHBondContact O-N 3.23Å; I227-V230 PolarHBondContact O-N 3.47Å; I227-A231 WeakPolarHBondContact O-CB 3.34Å; I227-A231 PolarHBondContact O-N 3.31Å
228C92.4Very high93.3Very high12 Ų1251 Ų518%0.08127%0.265CS..Hα-helixtrans-62.2-33.4-179.4-65.50000112.6R220 G222 E224 P225 A231 S232R220-C228 WeakPolarHBondContact O-CB 3.26Å; G222-C228 WeakPolarHBondContact CA-SG 3.47Å; G222-C228 PolarHBondContact N-SG 2.83Å; E224-C228 PolarHBondContact O-N 3.06Å; E224-C228 PolarHBondContact O-SG 2.97Å; P225-C228 PolarHBondContact O-N 2.91Å; C228-A231 PolarHBondContact O-N 3.32Å; C228-S232 WeakPolarHBondContact O-CB 3.24Å; C228-S232 PolarHBondContact O-N 3.44Å; C228-S232 PolarHBondContact O-OG 3.45Å
229R93.9Very high93.5Very high132 Ų13250.1 Ų50.150%0.49826%0.261SS..Hα-helixtrans-61-47.9174.4-80.6-177-79.1177.2-5.4112P225 E226 I227 R233P225-R229 WeakPolarHBondContact O-CG 3.15Å; P225-R229 PolarHBondContact O-N 2.89Å; P225-R229 PolarHBondContact O-NE 3.12Å; E226-R229 IonicContact OE1-NH2 2.67Å; E226-R229 PolarHBondContact OE1-NH2 2.93Å; I227-R229 VanDerWaalsContact C-N 3.26Å; I227-R229 PolarHBondContact O-N 3.23Å; R229-R233 PolarHBondContact O-N 3.29Å
230V96.5Very high93.7Very high13 Ų1351 Ų518%0.07927%0.265CS..Hα-helixtrans-67.6-43.5177-179.20000110.4I227 S232 R233 I234 I313 Q316 M317 Q320I227-V230 PolarHBondContact O-N 3.47Å; V230-S232 VanDerWaalsContact C-N 3.34Å; V230-S232 PolarHBondContact O-N 2.83Å; V230-R233 PolarHBondContact O-N 3.15Å; V230-I234 HydrophobicContact CG1-CD1 3.99Å; V230-I234 HydrophobicContact CG1-CG1 4.46Å; V230-I234 WeakPolarHBondContact O-CG1 3.34Å; V230-I234 PolarHBondContact O-N 3.21Å; V230-I313 HydrophobicContact CG1-CG2 4.1Å; V230-Q316 HydrophobicContact CG2-CG 4.14Å; V230-M317 HydrophobicContact CG1-CB 4.02Å; V230-M317 HydrophobicContact CG1-CG 4.47Å; V230-Q320 HydrophobicContact CG2-CG 3.94Å
231A97.4Very high93.9Very high2 Ų249.4 Ų49.42%0.01726%0.263CS..Hα-helixtrans-61.4-40.3179.800000113.1L210 I218 I227 C228 R233 I234 L235L210-A231 HydrophobicContact CD1-CB 3.71Å; I218-A231 HydrophobicContact CB-CB 4.49Å; I218-A231 HydrophobicContact CG2-CB 3.62Å; I227-A231 WeakPolarHBondContact O-CB 3.34Å; I227-A231 PolarHBondContact O-N 3.31Å; C228-A231 PolarHBondContact O-N 3.32Å; A231-R233 VanDerWaalsContact C-N 3.33Å; A231-R233 PolarHBondContact O-N 2.89Å; A231-I234 PolarHBondContact O-N 3.02Å; A231-L235 WeakPolarHBondContact O-CG 3.37Å; A231-L235 PolarHBondContact O-N 3.27Å
232S97.4Very high94.3Very high26 Ų2642.4 Ų42.418%0.18223%0.226CC..Hα-helixtrans-60.8-43176.4-62.10000111.4C228 V230 L235 D236C228-S232 WeakPolarHBondContact O-CB 3.24Å; C228-S232 PolarHBondContact O-N 3.44Å; C228-S232 PolarHBondContact O-OG 3.45Å; V230-S232 VanDerWaalsContact C-N 3.34Å; V230-S232 PolarHBondContact O-N 2.83Å; S232-L235 PolarHBondContact O-N 3.15Å; S232-D236 WeakPolarHBondContact O-CB 3.35Å; S232-D236 VanDerWaalsContact O-CG 3.28Å; S232-D236 PolarHBondContact O-N 2.98Å
233R98.1Very high94.8Very high51 Ų5144 Ų4419%0.19223%0.225CC..Hα-helixtrans-64.7-42.1175-66.7-170.469-157.2-5.9112.4R229 V230 A231 L235 D236 E237 S312 I313R229-R233 PolarHBondContact O-N 3.29Å; V230-R233 PolarHBondContact O-N 3.15Å; A231-R233 VanDerWaalsContact C-N 3.33Å; A231-R233 PolarHBondContact O-N 2.89Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 PolarHBondContact O-N 2.98Å; R233-D236 PolarHBondContact O-N 3.4Å; R233-E237 WeakPolarHBondContact CB-OE1 3.47Å; R233-E237 VanDerWaalsContact CG-OE1 3.28Å; R233-E237 WeakPolarHBondContact CG-OE1 3.48Å; R233-E237 IonicContact CZ-OE1 3.92Å; R233-E237 IonicContact CZ-OE2 2.95Å; R233-E237 IonicContact NE-OE1 2.64Å; R233-E237 PolarHBondContact NE-OE1 3.25Å; R233-E237 IonicContact NE-OE2 2.98Å; R233-E237 IonicContact NH2-OE1 2.7Å; R233-E237 IonicContact NH2-OE2 3.23Å; R233-E237 PolarHBondContact NH2-OE2 2.97Å; R233-E237 WeakPolarHBondContact O-CA 3.36Å; R233-E237 WeakPolarHBondContact O-CB 3.5Å; R233-E237 PolarHBondContact O-N 3.36Å; R233-S312 PolarHBondContact NH1-OG 2.99Å; R233-S312 PolarHBondContact NH2-OG 3.28Å; R233-I313 HydrophobicContact CB-CD1 4.28Å; R233-I313 HydrophobicContact CB-CG1 4.13Å; R233-I313 HydrophobicContact CB-CG2 4.38Å
234I98.6Very high95.2Very high8 Ų843.9 Ų43.94%0.04122%0.218CC..Hα-helixtrans-59.7-43.6175.3-63.2164.3000110.4L196 V199 A200 L210 V230 A231 L238 V239 I313L196-I234 HydrophobicContact CD2-CD1 3.57Å; L196-I234 HydrophobicContact CD2-CG1 4.21Å; V199-I234 HydrophobicContact CG1-CD1 4.48Å; V199-I234 HydrophobicContact CG1-CG2 4.32Å; A200-I234 HydrophobicContact CB-CG2 4.31Å; L210-I234 HydrophobicContact CD1-CB 3.99Å; L210-I234 HydrophobicContact CD1-CD1 3.83Å; L210-I234 HydrophobicContact CD1-CG2 3.97Å; L210-I234 HydrophobicContact CD2-CB 4.35Å; L210-I234 HydrophobicContact CD2-CG2 3.7Å; V230-I234 HydrophobicContact CG1-CD1 3.99Å; V230-I234 HydrophobicContact CG1-CG1 4.46Å; V230-I234 WeakPolarHBondContact O-CG1 3.34Å; V230-I234 PolarHBondContact O-N 3.21Å; A231-I234 PolarHBondContact O-N 3.02Å; I234-L238 HydrophobicContact CG2-CD1 4.34Å; I234-L238 WeakPolarHBondContact O-CA 3.46Å; I234-L238 WeakPolarHBondContact O-CB 3.48Å; I234-L238 PolarHBondContact O-N 3.49Å; I234-L238 VanDerWaalsContact O-N 3.09Å; I234-V239 HydrophobicContact CG2-CG2 4.27Å; I234-V239 PolarHBondContact O-N 2.98Å; I234-I313 HydrophobicContact CG1-CG2 3.75Å
235L98.4Very high95.6Very high11 Ų1141.2 Ų41.26%0.05821%0.206CC..Iπ-helixtrans-62.7-49.1178.6-72.9167000111.8L210 R220 A231 S232 R233 V239 Q240L210-L235 HydrophobicContact CD2-CD2 3.61Å; L210-L235 HydrophobicContact CD2-CG 3.87Å; L210-L235 HydrophobicContact CG-CD2 4.2Å; L210-L235 HydrophobicContact CG-CG 4.17Å; R220-L235 HydrophobicContact CB-CD1 3.95Å; R220-L235 HydrophobicContact CG-CD1 4.22Å; A231-L235 WeakPolarHBondContact O-CG 3.37Å; A231-L235 PolarHBondContact O-N 3.27Å; S232-L235 PolarHBondContact O-N 3.15Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-L235 PolarHBondContact O-N 2.98Å; L235-V239 HydrophobicContact CD2-CG2 4.34Å; L235-V239 WeakPolarHBondContact O-CB 3.3Å; L235-Q240 WeakPolarHBondContact O-CB 3.49Å; L235-Q240 PolarHBondContact O-N 3.06Å
236D98.3Very high95.9Very high78 Ų7845.2 Ų45.242%0.41722%0.219SC..Iπ-helixtrans-78.8-37.3-173.2-65.4-18000113.6R220 S232 R233 P241R220-D236 IonicContact CZ-OD1 3.77Å; R220-D236 VanDerWaalsContact CZ-OD1 3.27Å; R220-D236 IonicContact CZ-OD2 3.73Å; R220-D236 IonicContact NH1-OD1 2.82Å; R220-D236 PolarHBondContact NH1-OD1 3.28Å; R220-D236 IonicContact NH1-OD2 2.79Å; R220-D236 IonicContact NH2-OD1 3.75Å; R220-D236 PolarHBondContact NH2-OD1 3.22Å; R220-D236 IonicContact NH2-OD2 2.78Å; R220-D236 PolarHBondContact NH2-OD2 2.95Å; S232-D236 WeakPolarHBondContact O-CB 3.35Å; S232-D236 VanDerWaalsContact O-CG 3.28Å; S232-D236 PolarHBondContact O-N 2.98Å; R233-D236 PolarHBondContact O-N 3.4Å; D236-P241 VanDerWaalsContact O-CD 3.3Å; D236-P241 WeakPolarHBondContact O-CD 3.47Å
237E98.5Very high96.3Very high67 Ų6742.9 Ų42.931%0.31321%0.208SC..Iπ-helixtrans-108.2-7.5-167.3-59.8173.7-124.100112.9R233 T309 I313R233-E237 WeakPolarHBondContact CB-OE1 3.47Å; R233-E237 VanDerWaalsContact CG-OE1 3.28Å; R233-E237 WeakPolarHBondContact CG-OE1 3.48Å; R233-E237 IonicContact CZ-OE1 3.92Å; R233-E237 IonicContact CZ-OE2 2.95Å; R233-E237 IonicContact NE-OE1 2.64Å; R233-E237 PolarHBondContact NE-OE1 3.25Å; R233-E237 IonicContact NE-OE2 2.98Å; R233-E237 IonicContact NH2-OE1 2.7Å; R233-E237 IonicContact NH2-OE2 3.23Å; R233-E237 PolarHBondContact NH2-OE2 2.97Å; R233-E237 WeakPolarHBondContact O-CA 3.36Å; R233-E237 WeakPolarHBondContact O-CB 3.5Å; R233-E237 PolarHBondContact O-N 3.36Å; E237-T309 HydrophobicContact CB-CG2 3.58Å; E237-T309 HydrophobicContact CG-CG2 4.37Å; E237-T309 WeakPolarHBondContact OE2-CG2 3.48Å; E237-I313 HydrophobicContact CB-CD1 3.99Å
238L98.4Very high96.5Very high1 Ų143.1 Ų43.11%0.00521%0.21CC..Iπ-helixtrans-127.1-55.4173.3-59.5174.7000112.9L196 A200 I234 F242 L310 I313L196-L238 HydrophobicContact CB-CD1 4.38Å; A200-L238 HydrophobicContact CB-CB 3.89Å; A200-L238 HydrophobicContact CB-CD1 4.46Å; I234-L238 HydrophobicContact CG2-CD1 4.34Å; I234-L238 WeakPolarHBondContact O-CA 3.46Å; I234-L238 WeakPolarHBondContact O-CB 3.48Å; I234-L238 PolarHBondContact O-N 3.49Å; I234-L238 VanDerWaalsContact O-N 3.09Å; L238-F242 WeakPolarHBondContact O-CB 3.36Å; L238-F242 WeakPolarHBondContact O-CD1 3.42Å; L238-F242 WeakPolarHBondContact O-CG 3.13Å; L238-F242 PolarHBondContact O-N 3.02Å; L238-L310 HydrophobicContact CD1-CD1 3.92Å; L238-L310 HydrophobicContact CD2-CB 4.2Å; L238-L310 HydrophobicContact CD2-CD1 4.43Å; L238-I313 HydrophobicContact CD1-CD1 3.85Å; L238-I313 HydrophobicContact CD2-CD1 4.38Å; L238-I313 HydrophobicContact CG-CD1 3.77Å
239V98.6Very high96.6Very high3 Ų347 Ų472%0.01823%0.23CC..Iπ-helixtrans-64.8-49.2-176.5177.80000111.1A200 L210 I234 L235 F242 Q243A200-V239 HydrophobicContact CB-CG2 4.07Å; L210-V239 HydrophobicContact CD2-CG2 4.04Å; I234-V239 HydrophobicContact CG2-CG2 4.27Å; I234-V239 PolarHBondContact O-N 2.98Å; L235-V239 HydrophobicContact CD2-CG2 4.34Å; L235-V239 WeakPolarHBondContact O-CB 3.3Å; V239-F242 WeakPolarHBondContact O-CB 3.42Å; V239-F242 PolarHBondContact O-N 3.31Å; V239-Q243 WeakPolarHBondContact O-CG 3.3Å; V239-Q243 PolarHBondContact O-N 2.93Å
240Q98.1Very high96.7Very high87 Ų8742.5 Ų42.541%0.40722%0.215SC..Hα-helixtrans-61.9-48.5178.6-175.768.961.900111.6L235 F242 Q243 D244L235-Q240 WeakPolarHBondContact O-CB 3.49Å; L235-Q240 PolarHBondContact O-N 3.06Å; Q240-F242 VanDerWaalsContact C-N 3.32Å; Q240-F242 PolarHBondContact O-N 2.91Å; Q240-Q243 WeakPolarHBondContact O-CB 3.35Å; Q240-Q243 PolarHBondContact O-N 3.16Å; Q240-Q243 VanDerWaalsContact O-N 3.09Å; Q240-D244 PolarHBondContact NE2-OD1 3.15Å; Q240-D244 PolarHBondContact O-N 3.34Å
241P97.7Very high96.6Very high29 Ų2941.9 Ų41.919%0.18821%0.212CC..Hα-helixtrans-58-38172.3-30.537.6000114.4D236 Q243 D244 I245 L306D236-P241 VanDerWaalsContact O-CD 3.3Å; D236-P241 WeakPolarHBondContact O-CD 3.47Å; P241-Q243 VanDerWaalsContact C-N 3.31Å; P241-Q243 PolarHBondContact O-N 2.78Å; P241-D244 PolarHBondContact O-N 2.74Å; P241-I245 VanDerWaalsContact O-CB 3.28Å; P241-I245 WeakPolarHBondContact O-CB 3.33Å; P241-I245 WeakPolarHBondContact O-CD1 3.43Å; P241-I245 WeakPolarHBondContact O-CG1 3.42Å; P241-I245 PolarHBondContact O-N 3.16Å; P241-L306 HydrophobicContact CB-CD2 3.62Å; P241-L306 HydrophobicContact CG-CD2 4.45Å
242F97.4Very high96.6Very high1 Ų142 Ų420%0.00421%0.212CC..Hα-helixtrans-62.4-39.4175.4-85.529.2000111.9L197 A200 K201 M204 L238 V239 Q240 Q246 I247 Y252 L306L197-F242 HydrophobicContact CD2-CZ 3.71Å; A200-F242 HydrophobicContact CB-CE2 4.37Å; K201-F242 HydrophobicContact CB-CD2 4.49Å; K201-F242 HydrophobicContact CB-CE2 4.18Å; M204-F242 HydrophobicContact CE-CB 3.99Å; M204-F242 WeakPolarHBondContact CE-O 3.48Å; M204-F242 HydrophobicContact CG-CB 3.99Å; M204-F242 HydrophobicContact CG-CD2 4.26Å; M204-F242 HydrophobicContact SD-CB 3.8Å; M204-F242 HydrophobicContact SD-CD2 3.81Å; M204-F242 HydrophobicContact SD-CG 4.32Å; L238-F242 WeakPolarHBondContact O-CB 3.36Å; L238-F242 WeakPolarHBondContact O-CD1 3.42Å; L238-F242 WeakPolarHBondContact O-CG 3.13Å; L238-F242 PolarHBondContact O-N 3.02Å; V239-F242 WeakPolarHBondContact O-CB 3.42Å; V239-F242 PolarHBondContact O-N 3.31Å; Q240-F242 VanDerWaalsContact C-N 3.32Å; Q240-F242 PolarHBondContact O-N 2.91Å; F242-Q246 WeakPolarHBondContact O-CA 3.37Å; F242-Q246 PolarHBondContact O-N 3.28Å; F242-I247 HydrophobicContact CB-CG2 3.74Å; F242-I247 HydrophobicContact CD1-CG2 4.31Å; F242-I247 HydrophobicContact CD2-CG2 3.62Å; F242-I247 HydrophobicContact CE2-CG2 4.26Å; F242-I247 HydrophobicContact CG-CG2 3.63Å; F242-I247 HydrophobicContact CZ-CD1 4.44Å; F242-I247 PolarHBondContact O-N 3.35Å; F242-I247 VanDerWaalsContact O-N 3.08Å; F242-Y252 HydrophobicContact CE2-CD2 4.03Å; F242-Y252 HydrophobicContact CE2-CE2 4.26Å; F242-Y252 HydrophobicContact CZ-CD2 4.5Å; F242-L306 HydrophobicContact CD1-CD1 3.97Å; F242-L306 HydrophobicContact CE1-CD1 3.72Å
243Q96.8Very high96.7Very high61 Ų6140.7 Ų40.729%0.28520%0.203SC..Hα-helixtrans-69.6-44.6176.2-69.7167.2-16.300111.5M204 V239 Q240 P241 Q246M204-Q243 HydrophobicContact CB-CG 4.46Å; M204-Q243 PolarHBondContact O-NE2 2.85Å; V239-Q243 WeakPolarHBondContact O-CG 3.3Å; V239-Q243 PolarHBondContact O-N 2.93Å; Q240-Q243 WeakPolarHBondContact O-CB 3.35Å; Q240-Q243 PolarHBondContact O-N 3.16Å; Q240-Q243 VanDerWaalsContact O-N 3.09Å; P241-Q243 VanDerWaalsContact C-N 3.31Å; P241-Q243 PolarHBondContact O-N 2.78Å; Q243-Q246 VanDerWaalsContact O-CG 3.26Å; Q243-Q246 WeakPolarHBondContact O-CG 3.46Å; Q243-Q246 PolarHBondContact O-N 3.5Å; Q243-Q246 VanDerWaalsContact O-N 3.11Å
244D94.8Very high96.6Very high111 Ų11138.3 Ų38.359%0.59419%0.194SC*.Hα-helixtrans-64.1-44.4-179.2-66-18.5000111.3Q240 P241 Q246Q240-D244 PolarHBondContact NE2-OD1 3.15Å; Q240-D244 PolarHBondContact O-N 3.34Å; P241-D244 PolarHBondContact O-N 2.74Å; D244-Q246 PolarHBondContact O-N 2.88Å
245I93.3Very high96.6Very high22 Ų2238 Ų3811%0.11319%0.192CC..Hα-helixtrans-72.9-20.2175.7-63.6166.2000111P241 R299 E302 L303 L306P241-I245 VanDerWaalsContact O-CB 3.28Å; P241-I245 WeakPolarHBondContact O-CB 3.33Å; P241-I245 WeakPolarHBondContact O-CD1 3.43Å; P241-I245 WeakPolarHBondContact O-CG1 3.42Å; P241-I245 PolarHBondContact O-N 3.16Å; I245-R299 VanDerWaalsContact O-CZ 3.31Å; I245-R299 PolarHBondContact O-NH1 3.09Å; I245-R299 PolarHBondContact O-NH2 3.27Å; I245-E302 HydrophobicContact CD1-CB 4.22Å; I245-L303 HydrophobicContact CG2-CD2 3.91Å; I245-L303 HydrophobicContact CG2-CG 4.5Å; I245-L306 HydrophobicContact CD1-CD1 4Å; I245-L306 HydrophobicContact CD1-CD2 4.34Å; I245-L306 HydrophobicContact CD1-CG 4.5Å
246Q93.6Very high96.6Very high154 Ų15438 Ų3872%0.7219%0.192SC*.THydrogen-bonded Turntrans51.756.7-169.6-57.6-175.912.700111.3F242 Q243 D244 D248 R299F242-Q246 WeakPolarHBondContact O-CA 3.37Å; F242-Q246 PolarHBondContact O-N 3.28Å; Q243-Q246 VanDerWaalsContact O-CG 3.26Å; Q243-Q246 WeakPolarHBondContact O-CG 3.46Å; Q243-Q246 PolarHBondContact O-N 3.5Å; Q243-Q246 VanDerWaalsContact O-N 3.11Å; D244-Q246 PolarHBondContact O-N 2.88Å; Q246-D248 PolarHBondContact O-N 3.41Å; Q246-R299 PolarHBondContact O-NH2 3.24Å
247I95.2Very high96.6Very high6 Ų634.3 Ų34.33%0.03117%0.172CC..  trans-62.2123.9-178.5-169.4175.3000111.3K201 M204 F242 E251 L255 L303K201-I247 PolarHBondContact NZ-O 2.99Å; M204-I247 HydrophobicContact CE-CG2 3.98Å; M204-I247 HydrophobicContact SD-CG2 3.89Å; F242-I247 HydrophobicContact CB-CG2 3.74Å; F242-I247 HydrophobicContact CD1-CG2 4.31Å; F242-I247 HydrophobicContact CD2-CG2 3.62Å; F242-I247 HydrophobicContact CE2-CG2 4.26Å; F242-I247 HydrophobicContact CG-CG2 3.63Å; F242-I247 HydrophobicContact CZ-CD1 4.44Å; F242-I247 PolarHBondContact O-N 3.35Å; F242-I247 VanDerWaalsContact O-N 3.08Å; I247-E251 HydrophobicContact CD1-CB 4.28Å; I247-E251 HydrophobicContact CG1-CB 3.69Å; I247-L255 HydrophobicContact CD1-CD1 3.68Å; I247-L303 HydrophobicContact CB-CD2 4.46Å; I247-L303 HydrophobicContact CD1-CD2 3.73Å; I247-L303 HydrophobicContact CG1-CD2 3.93Å
248D93.6Very high96.6Very high30 Ų3031.4 Ų31.416%0.1616%0.159CC..  trans-86.4172.3177.179.335.3000112.6Q246 N250 E251 Y252 Y288 R292Q246-D248 PolarHBondContact O-N 3.41Å; D248-N250 VanDerWaalsContact C-N 3.3Å; D248-N250 PolarHBondContact O-N 3.38Å; D248-N250 WeakPolarHBondContact OD1-CA 3.33Å; D248-N250 WeakPolarHBondContact OD1-CB 3.47Å; D248-N250 PolarHBondContact OD1-N 3.5Å; D248-E251 PolarHBondContact N-OE2 3.26Å; D248-E251 PolarHBondContact O-N 2.94Å; D248-E251 PolarHBondContact OD1-N 2.93Å; D248-Y252 VanDerWaalsContact O-CB 3.31Å; D248-Y252 WeakPolarHBondContact O-CB 3.44Å; D248-Y252 PolarHBondContact O-N 3.14Å; D248-Y288 VanDerWaalsContact CG-OH 3.28Å; D248-Y288 PolarHBondContact OD1-OH 2.95Å; D248-Y288 WeakPolarHBondContact OD2-CE1 3.33Å; D248-Y288 PolarHBondContact OD2-OH 3.27Å; D248-R292 IonicContact OD2-CZ 3.58Å; D248-R292 IonicContact OD2-NH1 3.63Å; D248-R292 PolarHBondContact OD2-NH1 2.81Å; D248-R292 IonicContact OD2-NH2 2.79Å; D248-R292 PolarHBondContact OD2-NH2 2.89Å
249D94.6Very high96.6Very high94 Ų9432.1 Ų32.150%0.50316%0.163SC..Hα-helixtrans-69.9-26.2-173.5-61.3-24.4000113.2K201 A253K201-D249 WeakPolarHBondContact CE-OD1 3.47Å; K201-D249 IonicContact NZ-OD1 3Å; K201-D249 PolarHBondContact NZ-OD1 3.22Å; D249-A253 VanDerWaalsContact O-CB 3.22Å; D249-A253 WeakPolarHBondContact O-CB 3.36Å; D249-A253 PolarHBondContact O-N 3.37Å
250N94.8Very high96.6Very high37 Ų3732 Ų3220%0.19816%0.162CC..Hα-helixtrans-74.9-44.1176.1-61.4-80.8000110.4I121 A125 D248 A253 A254 Y288I121-N250 HydrophobicContact CD1-CB 4.02Å; I121-N250 WeakPolarHBondContact CD1-O 3.37Å; I121-N250 HydrophobicContact CG1-CB 4.07Å; A125-N250 WeakPolarHBondContact CB-OD1 3.25Å; D248-N250 VanDerWaalsContact C-N 3.3Å; D248-N250 PolarHBondContact O-N 3.38Å; D248-N250 WeakPolarHBondContact OD1-CA 3.33Å; D248-N250 WeakPolarHBondContact OD1-CB 3.47Å; D248-N250 PolarHBondContact OD1-N 3.5Å; N250-A253 PolarHBondContact O-N 3.23Å; N250-A254 WeakPolarHBondContact O-CB 3.4Å; N250-A254 PolarHBondContact O-N 2.82Å; N250-Y288 HydrophobicContact CB-CE1 4.08Å; N250-Y288 HydrophobicContact CB-CE2 3.91Å; N250-Y288 WeakPolarHBondContact CB-OH 3.39Å; N250-Y288 PolarHBondContact ND2-OH 3.02Å
251E95.8Very high96.5Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-62.7-44.1176.1-67.1168157.500111.2I247 D248 A254 L255 L285 Y288 R299 L303I247-E251 HydrophobicContact CD1-CB 4.28Å; I247-E251 HydrophobicContact CG1-CB 3.69Å; D248-E251 PolarHBondContact N-OE2 3.26Å; D248-E251 PolarHBondContact O-N 2.94Å; D248-E251 PolarHBondContact OD1-N 2.93Å; E251-A254 PolarHBondContact O-N 2.85Å; E251-L255 PolarHBondContact O-N 2.77Å; E251-L285 HydrophobicContact CB-CD1 4.3Å; E251-L285 HydrophobicContact CG-CD1 4.03Å; E251-Y288 HydrophobicContact CG-CD1 4.11Å; E251-Y288 HydrophobicContact CG-CE1 3.78Å; E251-R299 IonicContact OE1-CZ 2.96Å; E251-R299 IonicContact OE1-NE 3.27Å; E251-R299 PolarHBondContact OE1-NE 2.78Å; E251-R299 IonicContact OE1-NH2 3.64Å; E251-R299 PolarHBondContact OE1-NH2 3.46Å; E251-R299 IonicContact OE2-CZ 2.87Å; E251-R299 IonicContact OE2-NE 2.68Å; E251-R299 IonicContact OE2-NH2 3.75Å; E251-R299 PolarHBondContact OE2-NH2 2.97Å; E251-L303 HydrophobicContact CB-CD1 4.21Å; E251-L303 HydrophobicContact CG-CD1 4.18Å
252Y97.7Very high96.6Very high4 Ų427.3 Ų27.32%0.01614%0.138CC..Hα-helixtrans-59.5-47.7174173.6-102.2000111.8E128 L197 G198 K201 F242 D248 A254 L255 K256E128-Y252 HydrophobicContact CG-CD1 4.18Å; E128-Y252 HydrophobicContact CG-CE1 4.01Å; L197-Y252 HydrophobicContact CB-CE2 4.16Å; L197-Y252 PolarHBondContact O-OH 3.42Å; G198-Y252 WeakPolarHBondContact CA-OH 3.15Å; K201-Y252 HydrophobicContact CB-CD2 3.93Å; K201-Y252 HydrophobicContact CB-CE1 4.47Å; K201-Y252 HydrophobicContact CB-CE2 3.5Å; K201-Y252 VanDerWaalsContact CB-CE2 3.5Å; K201-Y252 HydrophobicContact CD-CD2 4.2Å; K201-Y252 HydrophobicContact CD-CG 4.22Å; K201-Y252 HydrophobicContact CG-CD1 4.18Å; K201-Y252 HydrophobicContact CG-CD2 3.93Å; K201-Y252 HydrophobicContact CG-CE1 4.12Å; K201-Y252 HydrophobicContact CG-CE2 3.86Å; K201-Y252 HydrophobicContact CG-CG 4.08Å; F242-Y252 HydrophobicContact CE2-CD2 4.03Å; F242-Y252 HydrophobicContact CE2-CE2 4.26Å; F242-Y252 HydrophobicContact CZ-CD2 4.5Å; D248-Y252 VanDerWaalsContact O-CB 3.31Å; D248-Y252 WeakPolarHBondContact O-CB 3.44Å; D248-Y252 PolarHBondContact O-N 3.14Å; Y252-A254 VanDerWaalsContact C-N 3.3Å; Y252-A254 PolarHBondContact O-N 3.38Å; Y252-L255 PolarHBondContact O-N 2.96Å; Y252-K256 HydrophobicContact CE1-CD 4.37Å; Y252-K256 WeakPolarHBondContact O-CB 3.4Å; Y252-K256 PolarHBondContact O-N 3.23Å
253A97.5Very high96.6Very high0 Ų027.7 Ų27.70%014%0.141CC..Hα-helixtrans-62.6-37.3178.500000112.3L124 A125 E128 D249 N250 A257L124-A253 HydrophobicContact CB-CB 3.94Å; A125-A253 HydrophobicContact CB-CB 4.3Å; E128-A253 HydrophobicContact CB-CB 4.49Å; D249-A253 VanDerWaalsContact O-CB 3.22Å; D249-A253 WeakPolarHBondContact O-CB 3.36Å; D249-A253 PolarHBondContact O-N 3.37Å; N250-A253 PolarHBondContact O-N 3.23Å; A253-A257 WeakPolarHBondContact O-CB 3.37Å; A253-A257 PolarHBondContact O-N 3.44Å
254A97.3Very high96.6Very high0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-66.6-46.8174.100000112.2I121 N250 E251 Y252 K256 A257 I258 V281 L285I121-A254 HydrophobicContact CD1-CB 3.83Å; I121-A254 HydrophobicContact CG1-CB 4.09Å; N250-A254 WeakPolarHBondContact O-CB 3.4Å; N250-A254 PolarHBondContact O-N 2.82Å; E251-A254 PolarHBondContact O-N 2.85Å; Y252-A254 VanDerWaalsContact C-N 3.3Å; Y252-A254 PolarHBondContact O-N 3.38Å; A254-K256 VanDerWaalsContact C-N 3.3Å; A254-K256 PolarHBondContact O-N 3.03Å; A254-A257 PolarHBondContact O-N 3.4Å; A254-A257 VanDerWaalsContact O-N 3.15Å; A254-I258 VanDerWaalsContact O-CG1 3.27Å; A254-I258 WeakPolarHBondContact O-CG1 3.48Å; A254-I258 PolarHBondContact O-N 2.7Å; A254-V281 HydrophobicContact CB-CG1 4.03Å; A254-L285 HydrophobicContact CB-CB 4.06Å; A254-L285 HydrophobicContact CB-CD1 3.92Å; A254-L285 HydrophobicContact CB-CD2 4.09Å; A254-L285 HydrophobicContact CB-CG 4.24Å
255L98.1Very high96.7Very high1 Ų126.1 Ų26.11%0.00514%0.136CC..Hα-helixtrans-58.4-43.8175.3-78-175.1000111.6I247 E251 Y252 A257 I258 V259 L303 L304 L306 L307I247-L255 HydrophobicContact CD1-CD1 3.68Å; E251-L255 PolarHBondContact O-N 2.77Å; Y252-L255 PolarHBondContact O-N 2.96Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 3.22Å; L255-I258 HydrophobicContact CD2-CD1 4.48Å; L255-I258 PolarHBondContact O-N 3.49Å; L255-V259 WeakPolarHBondContact O-CG2 3.04Å; L255-V259 PolarHBondContact O-N 3.25Å; L255-L303 HydrophobicContact CD1-CB 4.23Å; L255-L303 HydrophobicContact CD1-CD2 4.04Å; L255-L303 HydrophobicContact CD2-CB 4.21Å; L255-L304 HydrophobicContact CD2-CD2 4.13Å; L255-L306 HydrophobicContact CD1-CD1 4.28Å; L255-L307 HydrophobicContact CD2-CD2 4.39Å
256K98.2Very high96.6Very high12 Ų1233.6 Ų33.65%0.05217%0.168CC..Hα-helixtrans-57.9-46.6174.8-166.6-178.4179-169.50110.8E128 W168 H194 Y252 A254 V259 F260E128-K256 WeakPolarHBondContact OE2-CD 3.36Å; E128-K256 IonicContact OE2-NZ 2.85Å; E128-K256 PolarHBondContact OE2-NZ 2.92Å; W168-K256 HydrophobicContact CD2-CD 4.19Å; W168-K256 HydrophobicContact CH2-CD 4.15Å; W168-K256 HydrophobicContact CH2-CG 3.86Å; W168-K256 HydrophobicContact CZ2-CB 4.21Å; W168-K256 HydrophobicContact CZ2-CD 3.6Å; W168-K256 HydrophobicContact CZ2-CG 3.69Å; H194-K256 PolarHBondContact CE1-O 3.4Å; H194-K256 VanDerWaalsContact CE1-O 3.28Å; Y252-K256 HydrophobicContact CE1-CD 4.37Å; Y252-K256 WeakPolarHBondContact O-CB 3.4Å; Y252-K256 PolarHBondContact O-N 3.23Å; A254-K256 VanDerWaalsContact C-N 3.3Å; A254-K256 PolarHBondContact O-N 3.03Å; K256-V259 PolarHBondContact O-N 3.19Å; K256-F260 WeakPolarHBondContact O-CB 3.49Å; K256-F260 PolarHBondContact O-N 3Å
257A98.2Very high96.6Very high0 Ų031.3 Ų31.30%017%0.169CC..Hα-helixtrans-67.9-33.8177.500000113.6L124 A253 A254 L255 V259 F260 F261 V281L124-A257 HydrophobicContact CD1-CB 3.78Å; L124-A257 HydrophobicContact CD2-CB 4.11Å; A253-A257 WeakPolarHBondContact O-CB 3.37Å; A253-A257 PolarHBondContact O-N 3.44Å; A254-A257 PolarHBondContact O-N 3.4Å; A254-A257 VanDerWaalsContact O-N 3.15Å; L255-A257 VanDerWaalsContact C-N 3.34Å; L255-A257 PolarHBondContact O-N 3.22Å; A257-V259 VanDerWaalsContact C-N 3.34Å; A257-F260 PolarHBondContact O-N 3.43Å; A257-F261 HydrophobicContact CB-CD2 4.31Å; A257-F261 HydrophobicContact CB-CE2 4.29Å; A257-F261 VanDerWaalsContact O-CD2 3.26Å; A257-F261 WeakPolarHBondContact O-CD2 3.23Å; A257-F261 PolarHBondContact O-N 3.21Å; A257-V281 HydrophobicContact CB-CG1 4.01Å; A257-V281 HydrophobicContact CB-CG2 4.17Å
258I98.3Very high96.6Very high7 Ų732 Ų324%0.03617%0.172CC..Hα-helixtrans-63-42175.1-71.9165000111A254 L255 R278 V281 Q282 L285 L304 L307A254-I258 VanDerWaalsContact O-CG1 3.27Å; A254-I258 WeakPolarHBondContact O-CG1 3.48Å; A254-I258 PolarHBondContact O-N 2.7Å; L255-I258 HydrophobicContact CD2-CD1 4.48Å; L255-I258 PolarHBondContact O-N 3.49Å; I258-R278 HydrophobicContact CG2-CG 4.31Å; I258-R278 VanDerWaalsContact O-CD 3.24Å; I258-R278 WeakPolarHBondContact O-CD 3.44Å; I258-V281 HydrophobicContact CD1-CG1 4.29Å; I258-V281 HydrophobicContact CG1-CB 4.14Å; I258-V281 HydrophobicContact CG1-CG1 3.74Å; I258-Q282 HydrophobicContact CD1-CG 3.81Å; I258-Q282 HydrophobicContact CG1-CG 3.92Å; I258-L285 HydrophobicContact CD1-CD2 3.95Å; I258-L304 HydrophobicContact CD1-CD2 4.06Å; I258-L307 HydrophobicContact CG2-CD1 4Å
259V98.4Very high96.8Very high16 Ų1638.6 Ų38.610%0.09720%0.195CC..Hα-helixtrans-67-41174.31730000111H190 E193 L197 L255 K256 A257 L307 L310H190-V259 HydrophobicContact CB-CG1 3.62Å; H190-V259 PolarHBondContact CD2-O 3.35Å; H190-V259 VanDerWaalsContact CD2-O 3.27Å; E193-V259 HydrophobicContact CB-CG1 3.89Å; L197-V259 HydrophobicContact CD1-CG2 4.24Å; L255-V259 WeakPolarHBondContact O-CG2 3.04Å; L255-V259 PolarHBondContact O-N 3.25Å; K256-V259 PolarHBondContact O-N 3.19Å; A257-V259 VanDerWaalsContact C-N 3.34Å; V259-L307 HydrophobicContact CG2-CD2 3.53Å; V259-L310 HydrophobicContact CG2-CD2 4.25Å
260F98.4Very high96.8Very high0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-68.5-44.2-175.6-173-113000113.7W168 A169 F175 L186 L187 H194 K256 A257 D262W168-F260 HydrophobicContact CH2-CB 3.84Å; W168-F260 HydrophobicContact CH2-CD1 4.19Å; W168-F260 HydrophobicContact CH2-CD2 4.45Å; W168-F260 AromaticContact CH2-CG 3.92Å; W168-F260 HydrophobicContact CH2-CG 3.92Å; W168-F260 HydrophobicContact CZ3-CB 4.02Å; W168-F260 AromaticContact CZ3-CD1 3.96Å; W168-F260 HydrophobicContact CZ3-CD1 3.96Å; W168-F260 AromaticContact CZ3-CD2 3.76Å; W168-F260 HydrophobicContact CZ3-CD2 3.76Å; W168-F260 HydrophobicContact CZ3-CE1 4.34Å; W168-F260 HydrophobicContact CZ3-CE2 4.16Å; W168-F260 AromaticContact CZ3-CG 3.64Å; W168-F260 HydrophobicContact CZ3-CG 3.64Å; W168-F260 HydrophobicContact CZ3-CZ 4.42Å; A169-F260 HydrophobicContact CB-CE1 4.18Å; A169-F260 HydrophobicContact CB-CE2 4.31Å; A169-F260 HydrophobicContact CB-CZ 3.65Å; F175-F260 AromaticContact CD2-CE1 3.51Å; F175-F260 HydrophobicContact CD2-CE1 3.51Å; F175-F260 AromaticContact CD2-CZ 3.67Å; F175-F260 HydrophobicContact CD2-CZ 3.67Å; F175-F260 AromaticContact CE2-CE1 3.86Å; F175-F260 HydrophobicContact CE2-CE1 3.86Å; F175-F260 AromaticContact CE2-CZ 3.49Å; F175-F260 HydrophobicContact CE2-CZ 3.49Å; F175-F260 VanDerWaalsContact CE2-CZ 3.49Å; F175-F260 HydrophobicContact CG-CE1 4.2Å; F175-F260 HydrophobicContact CG-CZ 4.49Å; F175-F260 HydrophobicContact CZ-CZ 4.21Å; L186-F260 HydrophobicContact CB-CE2 4.32Å; L186-F260 HydrophobicContact CB-CZ 4.16Å; L187-F260 HydrophobicContact CD2-CE2 3.92Å; L187-F260 HydrophobicContact CD2-CZ 4.24Å; L187-F260 HydrophobicContact CG-CE2 4.23Å; L187-F260 HydrophobicContact CG-CZ 4.35Å; H194-F260 AromaticContact NE2-CD2 3.51Å; K256-F260 WeakPolarHBondContact O-CB 3.49Å; K256-F260 PolarHBondContact O-N 3Å; A257-F260 PolarHBondContact O-N 3.43Å; F260-D262 PolarHBondContact O-N 3.4Å
261F97.8Very high96.9Very high0 Ų038.9 Ų38.90%020%0.2CC..  trans-82.561.8-179-67.5-58.7000111.6L118 I172 L186 A257 P263 I274 M277 R278 V281L118-F261 HydrophobicContact CD2-CE2 4.23Å; I172-F261 HydrophobicContact CG2-CZ 4.1Å; L186-F261 HydrophobicContact CD1-CD1 4.39Å; A257-F261 HydrophobicContact CB-CD2 4.31Å; A257-F261 HydrophobicContact CB-CE2 4.29Å; A257-F261 VanDerWaalsContact O-CD2 3.26Å; A257-F261 WeakPolarHBondContact O-CD2 3.23Å; A257-F261 PolarHBondContact O-N 3.21Å; F261-P263 WeakPolarHBondContact O-CD 3.4Å; F261-I274 VanDerWaalsContact C-CG2 3.44Å; F261-I274 HydrophobicContact CB-CG2 4.03Å; F261-I274 WeakPolarHBondContact O-CG2 3.48Å; F261-M277 HydrophobicContact CD1-CB 4.38Å; F261-M277 HydrophobicContact CD1-CE 3.88Å; F261-M277 HydrophobicContact CD1-SD 4.26Å; F261-M277 HydrophobicContact CE1-CE 3.35Å; F261-M277 HydrophobicContact CE1-SD 4.22Å; F261-M277 HydrophobicContact CE2-CE 4.31Å; F261-M277 HydrophobicContact CG-CB 4.26Å; F261-M277 HydrophobicContact CZ-CE 3.6Å; F261-R278 HydrophobicContact CB-CB 4.07Å; F261-R278 WeakPolarHBondContact O-CB 3.45Å; F261-R278 WeakPolarHBondContact O-CD 3.43Å; F261-V281 HydrophobicContact CD2-CG2 4.35Å
262D97.9Very high97Very high17 Ų1741.8 Ų41.89%0.09122%0.224CC..  trans-82112.7176.2-178.535.8000111.9L186 H190 F260 D264 A265 L268 R278L186-D262 WeakPolarHBondContact CD2-O 3.48Å; H190-D262 WeakPolarHBondContact NE2-CB 3.41Å; H190-D262 IonicContact NE2-OD2 2.82Å; H190-D262 PolarHBondContact NE2-OD2 3.48Å; F260-D262 PolarHBondContact O-N 3.4Å; D262-D264 PolarHBondContact O-N 3Å; D262-D264 PolarHBondContact OD1-N 3.32Å; D262-D264 VanDerWaalsContact OD1-N 3.16Å; D262-D264 VanDerWaalsContact OD2-C 3.3Å; D262-A265 WeakPolarHBondContact O-CB 3.4Å; D262-A265 PolarHBondContact O-N 3.45Å; D262-A265 PolarHBondContact OD2-N 3.04Å; D262-L268 WeakPolarHBondContact O-CD1 3.46Å; D262-R278 IonicContact OD1-NH1 3.71Å; D262-R278 PolarHBondContact OD1-NH1 3.02Å
263P97.8Very high96.8Very high10 Ų1045.7 Ų45.77%0.06524%0.241CC..THydrogen-bonded Turntrans-71.2-13.9174.833.2-35.6000112.9F261 A265 L268 P271 I274 K275 R278F261-P263 WeakPolarHBondContact O-CD 3.4Å; P263-A265 VanDerWaalsContact C-N 3.29Å; P263-L268 WeakPolarHBondContact O-CD1 3.21Å; P263-P271 HydrophobicContact CB-CB 4.47Å; P263-P271 VanDerWaalsContact CB-O 3.25Å; P263-P271 WeakPolarHBondContact CB-O 3.28Å; P263-P271 WeakPolarHBondContact O-CB 3.46Å; P263-I274 HydrophobicContact CB-CB 4.27Å; P263-I274 HydrophobicContact CB-CG2 4.34Å; P263-K275 HydrophobicContact CB-CB 3.78Å; P263-K275 HydrophobicContact CG-CB 4Å; P263-K275 HydrophobicContact CG-CG 4.38Å; P263-R278 VanDerWaalsContact CD-NH2 3.26Å
264D97.5Very high96.8Very high130 Ų13045.8 Ų45.870%0.69524%0.241SC*.THydrogen-bonded Turntrans-89.92.7178.6-57.7-51.4000112D262D262-D264 PolarHBondContact O-N 3Å; D262-D264 PolarHBondContact OD1-N 3.32Å; D262-D264 VanDerWaalsContact OD1-N 3.16Å; D262-D264 VanDerWaalsContact OD2-C 3.3Å
265A96.2Very high96.8Very high9 Ų952.2 Ų52.27%0.07427%0.269CS..SBendtrans-59.4139.8175.100000111.1L186 A189 D262 P263 L268L186-A265 HydrophobicContact CD2-CB 4.17Å; A189-A265 HydrophobicContact CB-CB 3.69Å; D262-A265 WeakPolarHBondContact O-CB 3.4Å; D262-A265 PolarHBondContact O-N 3.45Å; D262-A265 PolarHBondContact OD2-N 3.04Å; P263-A265 VanDerWaalsContact C-N 3.29Å; A265-L268 HydrophobicContact CB-CD1 3.84Å; A265-L268 HydrophobicContact CB-CG 4.05Å; A265-L268 WeakPolarHBondContact O-CG 3.5Å
266K92.4Very high96.6Very high179 Ų17956.1 Ų56.178%0.77829%0.293SS*.THydrogen-bonded Turntrans-62.9141.3-174.5-65.5-177.7-179.3178.70111.4S185 L268S185-K266 VanDerWaalsContact CB-O 3.23Å; S185-K266 WeakPolarHBondContact CB-O 3.35Å; S185-K266 PolarHBondContact OG-O 2.91Å; K266-L268 VanDerWaalsContact C-N 3.27Å; K266-L268 PolarHBondContact O-N 3.26Å
267S93Very high96.4Very high106 Ų10655.9 Ų55.974%0.74129%0.292SS*.THydrogen-bonded Turntrans64.621.9171-48.30000115.8
268L96.2Very high96.3Very high20 Ų2058.6 Ų58.611%0.10530%0.302CS..  trans-66.4136.3172-72.2175.8000111.6D182 L186 D262 P263 A265 K266 P271 I274D182-L268 HydrophobicContact CB-CD2 3.87Å; D182-L268 WeakPolarHBondContact OD1-CA 3.35Å; L186-L268 HydrophobicContact CD2-CD1 4.46Å; L186-L268 HydrophobicContact CD2-CD2 4.18Å; L186-L268 HydrophobicContact CG-CD2 4.18Å; D262-L268 WeakPolarHBondContact O-CD1 3.46Å; P263-L268 WeakPolarHBondContact O-CD1 3.21Å; A265-L268 HydrophobicContact CB-CD1 3.84Å; A265-L268 HydrophobicContact CB-CG 4.05Å; A265-L268 WeakPolarHBondContact O-CG 3.5Å; K266-L268 VanDerWaalsContact C-N 3.27Å; K266-L268 PolarHBondContact O-N 3.26Å; L268-P271 HydrophobicContact CB-CG 4.02Å; L268-I274 HydrophobicContact CD1-CB 4.43Å; L268-I274 HydrophobicContact CD1-CG1 4Å; L268-I274 HydrophobicContact CD2-CG1 4.31Å
269R96.1Very high96.2Very high169 Ų16962.6 Ų62.664%0.63832%0.324SS*.SBendtrans-72.4-42175.6-65.7175.6178.6-154.23.3112.6D181 D182D181-R269 IonicContact OD2-CZ 2.73Å; D181-R269 IonicContact OD2-NE 3.42Å; D181-R269 IonicContact OD2-NH2 3.63Å; D181-R269 PolarHBondContact OD2-NH2 2.91Å; D182-R269 WeakPolarHBondContact OD1-CG 3.4Å; D182-R269 PolarHBondContact OD1-N 3.41Å
270D95Very high95.9Very high77 Ų7763.7 Ų63.741%0.41233%0.328SS..  trans-132.681.3178.1-172.1-6000111.8A272 K273 I274D270-A272 PolarHBondContact O-N 3.14Å; D270-A272 WeakPolarHBondContact OD1-CB 3.32Å; D270-A272 PolarHBondContact OD1-N 3.42Å; D270-A272 VanDerWaalsContact OD1-N 3.08Å; D270-K273 HydrophobicContact CB-CB 4.12Å; D270-K273 PolarHBondContact O-N 2.94Å; D270-K273 PolarHBondContact OD1-N 3.26Å; D270-K273 WeakPolarHBondContact OD2-CB 3.47Å; D270-I274 PolarHBondContact O-N 3.44Å
271P97.3Very high95.8Very high60 Ų6063.9 Ų63.939%0.3933%0.329SS..Hα-helixtrans-55.3-30.6173-28.436.5000114.1P263 L268 I274 K275P263-P271 HydrophobicContact CB-CB 4.47Å; P263-P271 VanDerWaalsContact CB-O 3.25Å; P263-P271 WeakPolarHBondContact CB-O 3.28Å; P263-P271 WeakPolarHBondContact O-CB 3.46Å; L268-P271 HydrophobicContact CB-CG 4.02Å; P271-I274 PolarHBondContact O-N 3.41Å; P271-K275 WeakPolarHBondContact O-CB 3.48Å; P271-K275 PolarHBondContact O-N 3.32Å
272A96.7Very high95.6Very high61 Ų6166.4 Ų66.450%0.50434%0.341SS..Hα-helixtrans-70.6-37.5-177.300000111.3D270 K275 T276D270-A272 PolarHBondContact O-N 3.14Å; D270-A272 WeakPolarHBondContact OD1-CB 3.32Å; D270-A272 PolarHBondContact OD1-N 3.42Å; D270-A272 VanDerWaalsContact OD1-N 3.08Å; A272-K275 PolarHBondContact O-N 2.99Å; A272-T276 PolarHBondContact O-N 2.7Å; A272-T276 PolarHBondContact O-OG1 3.01Å
273K95.2Very high95.3Very high85 Ų8570.6 Ų70.637%0.3736%0.361SS..Hα-helixtrans-56.7-55.6169.4-176.6174.2-179.2178.80110.2L178 D270 K275 T276 M277L178-K273 HydrophobicContact CD2-CD 4.14Å; D270-K273 HydrophobicContact CB-CB 4.12Å; D270-K273 PolarHBondContact O-N 2.94Å; D270-K273 PolarHBondContact OD1-N 3.26Å; D270-K273 WeakPolarHBondContact OD2-CB 3.47Å; K273-K275 VanDerWaalsContact C-N 3.28Å; K273-K275 PolarHBondContact O-N 3.29Å; K273-T276 WeakPolarHBondContact O-CA 3.41Å; K273-T276 VanDerWaalsContact O-CB 3.32Å; K273-T276 WeakPolarHBondContact O-CB 3.47Å; K273-T276 PolarHBondContact O-N 3.3Å; K273-M277 HydrophobicContact CG-CG 4.47Å; K273-M277 HydrophobicContact CG-SD 4.37Å; K273-M277 VanDerWaalsContact O-CG 3.28Å; K273-M277 WeakPolarHBondContact O-CG 3.48Å; K273-M277 PolarHBondContact O-N 3.21Å
274I97.1Very high95Very high2 Ų271.7 Ų71.71%0.0137%0.369CS..Hα-helixtrans-58.2-39.6-179.3-54.8-50.9000112.1L178 L186 F261 P263 L268 D270 P271 T276 M277 R278L178-I274 HydrophobicContact CD1-CD1 3.79Å; L178-I274 HydrophobicContact CD2-CD1 4Å; L186-I274 HydrophobicContact CD1-CD1 3.99Å; L186-I274 HydrophobicContact CD2-CG2 4.03Å; F261-I274 VanDerWaalsContact C-CG2 3.44Å; F261-I274 HydrophobicContact CB-CG2 4.03Å; F261-I274 WeakPolarHBondContact O-CG2 3.48Å; P263-I274 HydrophobicContact CB-CB 4.27Å; P263-I274 HydrophobicContact CB-CG2 4.34Å; L268-I274 HydrophobicContact CD1-CB 4.43Å; L268-I274 HydrophobicContact CD1-CG1 4Å; L268-I274 HydrophobicContact CD2-CG1 4.31Å; D270-I274 PolarHBondContact O-N 3.44Å; P271-I274 PolarHBondContact O-N 3.41Å; I274-T276 VanDerWaalsContact C-N 3.32Å; I274-T276 PolarHBondContact O-N 3.5Å; I274-M277 HydrophobicContact CD1-SD 3.89Å; I274-M277 WeakPolarHBondContact O-CB 3.48Å; I274-M277 PolarHBondContact O-N 2.91Å; I274-M277 VanDerWaalsContact O-N 3.14Å; I274-R278 PolarHBondContact O-N 3.19Å
275K96.3Very high94.8Very high135 Ų13565.5 Ų65.559%0.58734%0.336SS*.Hα-helixtrans-60.7-42.6175.6-175.5175.9-179.3174.70112P263 P271 A272 K273 M277 R278 L279P263-K275 HydrophobicContact CB-CB 3.78Å; P263-K275 HydrophobicContact CG-CB 4Å; P263-K275 HydrophobicContact CG-CG 4.38Å; P271-K275 WeakPolarHBondContact O-CB 3.48Å; P271-K275 PolarHBondContact O-N 3.32Å; A272-K275 PolarHBondContact O-N 2.99Å; K273-K275 VanDerWaalsContact C-N 3.28Å; K273-K275 PolarHBondContact O-N 3.29Å; K275-M277 VanDerWaalsContact C-N 3.3Å; K275-R278 PolarHBondContact O-N 2.7Å; K275-L279 WeakPolarHBondContact O-CB 3.47Å; K275-L279 PolarHBondContact O-N 3.11Å
276T94.6Very high94.5Very high83 Ų8369.2 Ų69.251%0.50935%0.352SS..Hα-helixtrans-63.8-40.9176-55.60000110.3A272 K273 I274 L279 Q280A272-T276 PolarHBondContact O-N 2.7Å; A272-T276 PolarHBondContact O-OG1 3.01Å; K273-T276 WeakPolarHBondContact O-CA 3.41Å; K273-T276 VanDerWaalsContact O-CB 3.32Å; K273-T276 WeakPolarHBondContact O-CB 3.47Å; K273-T276 PolarHBondContact O-N 3.3Å; I274-T276 VanDerWaalsContact C-N 3.32Å; I274-T276 PolarHBondContact O-N 3.5Å; T276-L279 PolarHBondContact O-N 3.34Å; T276-Q280 PolarHBondContact O-N 3.16Å
277M94.8Very high94.3Very high7 Ų764.2 Ų64.23%0.03433%0.333CS..Hα-helixtrans-59.5-51.1176.2-58.5-176.164.400112L118 S174 L178 F261 K273 I274 K275 L279 Q280 V281L118-M277 HydrophobicContact CD1-CB 3.58Å; L118-M277 HydrophobicContact CD1-CE 4.14Å; L118-M277 HydrophobicContact CD1-CG 3.65Å; L118-M277 HydrophobicContact CD2-CB 4.07Å; L118-M277 HydrophobicContact CD2-CE 4.47Å; L118-M277 VanDerWaalsContact CD2-O 3.3Å; L118-M277 WeakPolarHBondContact CD2-O 3.36Å; L118-M277 HydrophobicContact CG-CB 4.34Å; L118-M277 HydrophobicContact CG-CE 4.28Å; S174-M277 VanDerWaalsContact CB-CE 3.46Å; S174-M277 WeakPolarHBondContact OG-CE 3.44Å; L178-M277 HydrophobicContact CD2-SD 4.39Å; F261-M277 HydrophobicContact CD1-CB 4.38Å; F261-M277 HydrophobicContact CD1-CE 3.88Å; F261-M277 HydrophobicContact CD1-SD 4.26Å; F261-M277 HydrophobicContact CE1-CE 3.35Å; F261-M277 HydrophobicContact CE1-SD 4.22Å; F261-M277 HydrophobicContact CE2-CE 4.31Å; F261-M277 HydrophobicContact CG-CB 4.26Å; F261-M277 HydrophobicContact CZ-CE 3.6Å; K273-M277 HydrophobicContact CG-CG 4.47Å; K273-M277 HydrophobicContact CG-SD 4.37Å; K273-M277 VanDerWaalsContact O-CG 3.28Å; K273-M277 WeakPolarHBondContact O-CG 3.48Å; K273-M277 PolarHBondContact O-N 3.21Å; I274-M277 HydrophobicContact CD1-SD 3.89Å; I274-M277 WeakPolarHBondContact O-CB 3.48Å; I274-M277 PolarHBondContact O-N 2.91Å; I274-M277 VanDerWaalsContact O-N 3.14Å; K275-M277 VanDerWaalsContact C-N 3.3Å; M277-L279 VanDerWaalsContact C-N 3.33Å; M277-L279 PolarHBondContact O-N 3.43Å; M277-Q280 PolarHBondContact O-N 3.43Å; M277-V281 PolarHBondContact O-N 3.31Å
278R96.3Very high94.1Very high57 Ų5761.2 Ų61.222%0.21531%0.306CS..Hα-helixtrans-58.9-43.3176.8-174.4167.967-171.80.2112.4I258 F261 D262 P263 I274 K275 Q280 V281 Q282I258-R278 HydrophobicContact CG2-CG 4.31Å; I258-R278 VanDerWaalsContact O-CD 3.24Å; I258-R278 WeakPolarHBondContact O-CD 3.44Å; F261-R278 HydrophobicContact CB-CB 4.07Å; F261-R278 WeakPolarHBondContact O-CB 3.45Å; F261-R278 WeakPolarHBondContact O-CD 3.43Å; D262-R278 IonicContact OD1-NH1 3.71Å; D262-R278 PolarHBondContact OD1-NH1 3.02Å; P263-R278 VanDerWaalsContact CD-NH2 3.26Å; I274-R278 PolarHBondContact O-N 3.19Å; K275-R278 PolarHBondContact O-N 2.7Å; R278-Q280 VanDerWaalsContact C-N 3.31Å; R278-Q280 PolarHBondContact O-N 3.4Å; R278-V281 PolarHBondContact O-N 3.48Å; R278-Q282 WeakPolarHBondContact O-CG 3.45Å; R278-Q282 PolarHBondContact O-N 3.23Å
279L94.3Very high93.8Very high92 Ų9260.4 Ų60.448%0.48230%0.302SS..Hα-helixtrans-61-40.8178.4-179.162.3000111.6K275 T276 M277 V281 Q282 M283K275-L279 WeakPolarHBondContact O-CB 3.47Å; K275-L279 PolarHBondContact O-N 3.11Å; T276-L279 PolarHBondContact O-N 3.34Å; M277-L279 VanDerWaalsContact C-N 3.33Å; M277-L279 PolarHBondContact O-N 3.43Å; L279-V281 VanDerWaalsContact C-N 3.33Å; L279-V281 PolarHBondContact O-N 3.26Å; L279-Q282 WeakPolarHBondContact O-CB 3.32Å; L279-Q282 PolarHBondContact O-N 3.33Å; L279-M283 HydrophobicContact CD1-CG 4.43Å; L279-M283 HydrophobicContact CG-SD 4.22Å; L279-M283 WeakPolarHBondContact O-CG 3.49Å; L279-M283 PolarHBondContact O-N 3.04Å
280Q93.3Very high93.3Very high39 Ų3955.4 Ų55.418%0.18229%0.288CS..Hα-helixtrans-64.6-37177.5-174.11651.800112.4S115 L118 T276 M277 R278 S284S115-Q280 PolarHBondContact O-NE2 3.42Å; L118-Q280 HydrophobicContact CB-CB 4.33Å; L118-Q280 HydrophobicContact CB-CG 3.9Å; L118-Q280 HydrophobicContact CD1-CB 4.19Å; L118-Q280 VanDerWaalsContact N-OE1 3.11Å; T276-Q280 PolarHBondContact O-N 3.16Å; M277-Q280 PolarHBondContact O-N 3.43Å; R278-Q280 VanDerWaalsContact C-N 3.31Å; R278-Q280 PolarHBondContact O-N 3.4Å; Q280-S284 WeakPolarHBondContact O-CB 3.4Å; Q280-S284 PolarHBondContact O-N 3.01Å; Q280-S284 PolarHBondContact O-OG 3.16Å
281V95.4Very high92.7Very high4 Ų456.5 Ų56.52%0.02429%0.294CS..Hα-helixtrans-64.5-44.3172.6-176.30000110.8L118 L124 A254 A257 I258 F261 M277 R278 L279 M283 S284 L285L118-V281 HydrophobicContact CD2-CG2 3.45Å; L118-V281 VanDerWaalsContact CD2-CG2 3.45Å; L124-V281 HydrophobicContact CD1-CG1 3.98Å; L124-V281 HydrophobicContact CD1-CG2 4.3Å; A254-V281 HydrophobicContact CB-CG1 4.03Å; A257-V281 HydrophobicContact CB-CG1 4.01Å; A257-V281 HydrophobicContact CB-CG2 4.17Å; I258-V281 HydrophobicContact CD1-CG1 4.29Å; I258-V281 HydrophobicContact CG1-CB 4.14Å; I258-V281 HydrophobicContact CG1-CG1 3.74Å; F261-V281 HydrophobicContact CD2-CG2 4.35Å; M277-V281 PolarHBondContact O-N 3.31Å; R278-V281 PolarHBondContact O-N 3.48Å; L279-V281 VanDerWaalsContact C-N 3.33Å; L279-V281 PolarHBondContact O-N 3.26Å; V281-M283 PolarHBondContact O-N 3.41Å; V281-S284 PolarHBondContact O-N 2.92Å; V281-L285 WeakPolarHBondContact O-CB 3.5Å; V281-L285 PolarHBondContact O-N 3.35Å
282Q94.7Very high91.5Very high53 Ų5359.1 Ų59.125%0.24830%0.296CS..Hα-helixtrans-59.8-46.6177.9-71.1171.8-24.900111.9I258 R278 L279 S284 L285 E286 F300I258-Q282 HydrophobicContact CD1-CG 3.81Å; I258-Q282 HydrophobicContact CG1-CG 3.92Å; R278-Q282 WeakPolarHBondContact O-CG 3.45Å; R278-Q282 PolarHBondContact O-N 3.23Å; L279-Q282 WeakPolarHBondContact O-CB 3.32Å; L279-Q282 PolarHBondContact O-N 3.33Å; Q282-S284 PolarHBondContact O-N 2.99Å; Q282-L285 PolarHBondContact O-N 2.8Å; Q282-E286 PolarHBondContact O-N 2.88Å; Q282-F300 HydrophobicContact CB-CZ 4.34Å; Q282-F300 WeakPolarHBondContact O-CE2 3.07Å
283M91.1Very high89.6Confident104 Ų10462.7 Ų62.751%0.51230%0.302SS..Hα-helixtrans-62.2-42.5175.8-68.5176.867.700111.7L279 V281 L285 E286 D287L279-M283 HydrophobicContact CD1-CG 4.43Å; L279-M283 HydrophobicContact CG-SD 4.22Å; L279-M283 WeakPolarHBondContact O-CG 3.49Å; L279-M283 PolarHBondContact O-N 3.04Å; V281-M283 PolarHBondContact O-N 3.41Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 2.93Å; M283-E286 PolarHBondContact O-N 3Å; M283-D287 WeakPolarHBondContact O-CB 3.27Å; M283-D287 PolarHBondContact O-N 3.01Å
284S91.5Very high87.7Confident34 Ų3469.5 Ų69.524%0.23833%0.327CS..Hα-helixtrans-63.9-37.9177.9-59.30000112.3Q280 V281 Q282 Y288Q280-S284 WeakPolarHBondContact O-CB 3.4Å; Q280-S284 PolarHBondContact O-N 3.01Å; Q280-S284 PolarHBondContact O-OG 3.16Å; V281-S284 PolarHBondContact O-N 2.92Å; Q282-S284 PolarHBondContact O-N 2.99Å; S284-Y288 VanDerWaalsContact O-CB 3.27Å; S284-Y288 WeakPolarHBondContact O-CB 3.32Å; S284-Y288 PolarHBondContact O-N 3.37Å
285L92.7Very high86.2Confident0 Ų075.2 Ų75.20%036%0.357CS..Hα-helixtrans-67.4-44.1174.9178.359.3000111.4I121 E251 A254 I258 V281 Q282 M283 Y288 I289 F300 L303I121-L285 HydrophobicContact CD1-CD1 4.17Å; E251-L285 HydrophobicContact CB-CD1 4.3Å; E251-L285 HydrophobicContact CG-CD1 4.03Å; A254-L285 HydrophobicContact CB-CB 4.06Å; A254-L285 HydrophobicContact CB-CD1 3.92Å; A254-L285 HydrophobicContact CB-CD2 4.09Å; A254-L285 HydrophobicContact CB-CG 4.24Å; I258-L285 HydrophobicContact CD1-CD2 3.95Å; V281-L285 WeakPolarHBondContact O-CB 3.5Å; V281-L285 PolarHBondContact O-N 3.35Å; Q282-L285 PolarHBondContact O-N 2.8Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 2.93Å; L285-Y288 PolarHBondContact O-N 3.31Å; L285-I289 HydrophobicContact CD1-CD1 3.85Å; L285-I289 HydrophobicContact CD1-CG1 4.21Å; L285-I289 HydrophobicContact CG-CD1 3.89Å; L285-I289 WeakPolarHBondContact O-CB 3.39Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.33Å; L285-I289 PolarHBondContact O-N 3.31Å; L285-F300 HydrophobicContact CB-CE2 4.27Å; L285-F300 HydrophobicContact CD2-CD2 4.17Å; L285-F300 HydrophobicContact CD2-CE2 4.07Å; L285-F300 HydrophobicContact CG-CD2 4.06Å; L285-F300 HydrophobicContact CG-CE2 4.13Å; L285-L303 HydrophobicContact CD1-CD1 4.4Å
286E91Very high84.9Confident87 Ų8769.8 Ų69.841%0.40734%0.337SS..Hα-helixtrans-60.6-45.8176-179.4171-150.400111.3Q282 M283 I289 N290 F300Q282-E286 PolarHBondContact O-N 2.88Å; M283-E286 PolarHBondContact O-N 3Å; E286-I289 PolarHBondContact O-N 3.21Å; E286-N290 VanDerWaalsContact CG-ND2 3.34Å; E286-N290 WeakPolarHBondContact CG-ND2 3.47Å; E286-N290 VanDerWaalsContact O-CB 3.29Å; E286-N290 WeakPolarHBondContact O-CB 3.29Å; E286-N290 PolarHBondContact O-N 3.08Å; E286-N290 PolarHBondContact O-ND2 3.22Å; E286-F300 HydrophobicContact CB-CD2 4.07Å; E286-F300 HydrophobicContact CB-CE2 4.02Å; E286-F300 HydrophobicContact CB-CZ 4.41Å
287D88.4Confident84.3Confident73 Ų7377.9 Ų77.939%0.3936%0.358SS..Hα-helixtrans-60.7-45.2175.1-79.9-23.4000111.9M283 I289 N290 D291M283-D287 WeakPolarHBondContact O-CB 3.27Å; M283-D287 PolarHBondContact O-N 3.01Å; D287-I289 VanDerWaalsContact C-N 3.35Å; D287-I289 PolarHBondContact O-N 3.01Å; D287-N290 PolarHBondContact O-N 3.44Å; D287-D291 PolarHBondContact O-N 2.88Å; D287-D291 VanDerWaalsContact O-N 3.08Å
288Y88.6Confident83.9Confident44 Ų4479.7 Ų79.717%0.17338%0.378CS..Hα-helixtrans-59-44.1177.7177.5-95.2000112.3I121 D248 N250 E251 S284 L285 R292I121-Y288 HydrophobicContact CD1-CD1 4.29Å; I121-Y288 HydrophobicContact CD1-CD2 4.38Å; I121-Y288 HydrophobicContact CD1-CG 3.99Å; I121-Y288 HydrophobicContact CG2-CD2 4.05Å; D248-Y288 VanDerWaalsContact CG-OH 3.28Å; D248-Y288 PolarHBondContact OD1-OH 2.95Å; D248-Y288 WeakPolarHBondContact OD2-CE1 3.33Å; D248-Y288 PolarHBondContact OD2-OH 3.27Å; N250-Y288 HydrophobicContact CB-CE1 4.08Å; N250-Y288 HydrophobicContact CB-CE2 3.91Å; N250-Y288 WeakPolarHBondContact CB-OH 3.39Å; N250-Y288 PolarHBondContact ND2-OH 3.02Å; E251-Y288 HydrophobicContact CG-CD1 4.11Å; E251-Y288 HydrophobicContact CG-CE1 3.78Å; S284-Y288 VanDerWaalsContact O-CB 3.27Å; S284-Y288 WeakPolarHBondContact O-CB 3.32Å; S284-Y288 PolarHBondContact O-N 3.37Å; L285-Y288 PolarHBondContact O-N 3.31Å; Y288-R292 PolarHBondContact OH-NH2 3.33Å
289I89.2Confident83.7Confident2 Ų278 Ų781%0.0137%0.372CS..Hα-helixtrans-67.3-44.4177.6-70.2166.4000110.4L285 E286 D287 D291 R292 S296 R299 F300 L303L285-I289 HydrophobicContact CD1-CD1 3.85Å; L285-I289 HydrophobicContact CD1-CG1 4.21Å; L285-I289 HydrophobicContact CG-CD1 3.89Å; L285-I289 WeakPolarHBondContact O-CB 3.39Å; L285-I289 VanDerWaalsContact O-CG1 3.28Å; L285-I289 WeakPolarHBondContact O-CG1 3.33Å; L285-I289 PolarHBondContact O-N 3.31Å; E286-I289 PolarHBondContact O-N 3.21Å; D287-I289 VanDerWaalsContact C-N 3.35Å; D287-I289 PolarHBondContact O-N 3.01Å; I289-D291 PolarHBondContact O-N 3.27Å; I289-R292 WeakPolarHBondContact O-CB 3.2Å; I289-R292 PolarHBondContact O-N 2.96Å; I289-S296 VanDerWaalsContact O-CB 3.22Å; I289-S296 WeakPolarHBondContact O-CB 3.45Å; I289-R299 HydrophobicContact CD1-CG 4.48Å; I289-R299 HydrophobicContact CG2-CB 4.01Å; I289-R299 HydrophobicContact CG2-CG 4.36Å; I289-F300 HydrophobicContact CD1-CB 3.9Å; I289-F300 HydrophobicContact CD1-CD2 4.04Å; I289-F300 HydrophobicContact CD1-CG 4.5Å; I289-L303 HydrophobicContact CD1-CD1 3.69Å
290N85.9Confident83.7Confident65 Ų6576 Ų7635%0.34836%0.359SS..Hα-helixtrans-68.1-21.5-176.8-76.6-35000114E286 D287 R292E286-N290 VanDerWaalsContact CG-ND2 3.34Å; E286-N290 WeakPolarHBondContact CG-ND2 3.47Å; E286-N290 VanDerWaalsContact O-CB 3.29Å; E286-N290 WeakPolarHBondContact O-CB 3.29Å; E286-N290 PolarHBondContact O-N 3.08Å; E286-N290 PolarHBondContact O-ND2 3.22Å; D287-N290 PolarHBondContact O-N 3.44Å; N290-R292 PolarHBondContact O-N 3.02Å
291D81.7Confident83.7Confident100 Ų10075.7 Ų75.754%0.53537%0.366SS..THydrogen-bonded Turntrans-70.3-18.7172.3-80.1-2.3000112.8R110 D287 I289 Q293R110-D291 IonicContact CZ-OD1 3.6Å; R110-D291 IonicContact NE-OD1 3.7Å; R110-D291 IonicContact NH1-OD1 2.73Å; R110-D291 PolarHBondContact NH1-OD1 2.91Å; R110-D291 IonicContact NH2-OD1 3.03Å; R110-D291 PolarHBondContact NH2-OD1 3.39Å; D287-D291 PolarHBondContact O-N 2.88Å; D287-D291 VanDerWaalsContact O-N 3.08Å; I289-D291 PolarHBondContact O-N 3.27Å; D291-Q293 PolarHBondContact O-N 3.25Å
292R73.1Confident83.7Confident115 Ų11580.4 Ų80.443%0.43439%0.388SS..SBendtrans-9468.3173.5-60.7-179.4175.5-175.4-1111D248 Y288 I289 N290 Y294 D295 S296D248-R292 IonicContact OD2-CZ 3.58Å; D248-R292 IonicContact OD2-NH1 3.63Å; D248-R292 PolarHBondContact OD2-NH1 2.81Å; D248-R292 IonicContact OD2-NH2 2.79Å; D248-R292 PolarHBondContact OD2-NH2 2.89Å; Y288-R292 PolarHBondContact OH-NH2 3.33Å; I289-R292 WeakPolarHBondContact O-CB 3.2Å; I289-R292 PolarHBondContact O-N 2.96Å; N290-R292 PolarHBondContact O-N 3.02Å; R292-Y294 PolarHBondContact O-N 2.88Å; R292-D295 PolarHBondContact O-N 3.18Å; R292-S296 WeakPolarHBondContact O-CB 3.16Å
293Q55.9Low83.7Confident136 Ų13677.9 Ų77.964%0.63638%0.376SS*.THydrogen-bonded Turntrans-55.5-14.5-164.2-62.3-152.3-36.300118.2D291D291-Q293 PolarHBondContact O-N 3.25Å
294Y55.5Low84Confident228 Ų22874.9 Ų74.989%0.89436%0.362SS*.THydrogen-bonded Turntrans-102.6-9.9-175.2-61.7-74.8000114.5R292R292-Y294 PolarHBondContact O-N 2.88Å
295D66.8Low84.3Confident121 Ų12179.3 Ų79.365%0.64738%0.383SS*.THydrogen-bonded Turntrans-131.810.6-175.6-15518.8000113R292R292-D295 PolarHBondContact O-N 3.18Å
296S68.7Low84.6Confident22 Ų2280 Ų8015%0.15439%0.387CS..  trans-91.8-18.2-166.859.80000115.2I289 R292 G298 R299I289-S296 VanDerWaalsContact O-CB 3.22Å; I289-S296 WeakPolarHBondContact O-CB 3.45Å; R292-S296 WeakPolarHBondContact O-CB 3.16Å; S296-G298 PolarHBondContact O-N 3.32Å; S296-G298 VanDerWaalsContact O-N 3.1Å; S296-R299 PolarHBondContact O-N 3.34Å
297R81.5Confident84.9Confident253 Ų25377.5 Ų77.596%0.95538%0.375SS*.THydrogen-bonded Turntrans-71.2110.6-172.3-172.9-179.8179.6119.60.7110.6R299R297-R299 VanDerWaalsContact C-N 3.33Å
298G86.4Confident85.4Confident45 Ų4577.5 Ų77.546%0.46438%0.38SS..THydrogen-bonded Turntrans93.7-20.6178.400000114.1S296 F300 G301 E302S296-G298 PolarHBondContact O-N 3.32Å; S296-G298 VanDerWaalsContact O-N 3.1Å; G298-F300 VanDerWaalsContact C-N 3.35Å; G298-F300 PolarHBondContact O-N 3.17Å; G298-G301 WeakPolarHBondContact O-CA 3.29Å; G298-G301 PolarHBondContact O-N 3.41Å; G298-E302 PolarHBondContact O-N 2.75Å
299R92.1Very high85.9Confident22 Ų2277.4 Ų77.48%0.08338%0.384CS..Hα-helixtrans-55.6-41.9-176.4-173.2177.6-175.879.14.5114I245 Q246 E251 I289 S296 R297 G301 E302 L303I245-R299 VanDerWaalsContact O-CZ 3.31Å; I245-R299 PolarHBondContact O-NH1 3.09Å; I245-R299 PolarHBondContact O-NH2 3.27Å; Q246-R299 PolarHBondContact O-NH2 3.24Å; E251-R299 IonicContact OE1-CZ 2.96Å; E251-R299 IonicContact OE1-NE 3.27Å; E251-R299 PolarHBondContact OE1-NE 2.78Å; E251-R299 IonicContact OE1-NH2 3.64Å; E251-R299 PolarHBondContact OE1-NH2 3.46Å; E251-R299 IonicContact OE2-CZ 2.87Å; E251-R299 IonicContact OE2-NE 2.68Å; E251-R299 IonicContact OE2-NH2 3.75Å; E251-R299 PolarHBondContact OE2-NH2 2.97Å; I289-R299 HydrophobicContact CD1-CG 4.48Å; I289-R299 HydrophobicContact CG2-CB 4.01Å; I289-R299 HydrophobicContact CG2-CG 4.36Å; S296-R299 PolarHBondContact O-N 3.34Å; R297-R299 VanDerWaalsContact C-N 3.33Å; R299-G301 VanDerWaalsContact C-N 3.3Å; R299-G301 PolarHBondContact O-N 3.08Å; R299-E302 PolarHBondContact O-N 3.41Å; R299-L303 HydrophobicContact CG-CD1 4.35Å; R299-L303 WeakPolarHBondContact O-CG 3.31Å; R299-L303 PolarHBondContact O-N 3.44Å
300F93.5Very high86.4Confident49 Ų4977.4 Ų77.422%0.21538%0.384CS..Hα-helixtrans-59.3-42.8175.8-179.8-106.5000111.9Q282 L285 E286 I289 G298 L304Q282-F300 HydrophobicContact CB-CZ 4.34Å; Q282-F300 WeakPolarHBondContact O-CE2 3.07Å; L285-F300 HydrophobicContact CB-CE2 4.27Å; L285-F300 HydrophobicContact CD2-CD2 4.17Å; L285-F300 HydrophobicContact CD2-CE2 4.07Å; L285-F300 HydrophobicContact CG-CD2 4.06Å; L285-F300 HydrophobicContact CG-CE2 4.13Å; E286-F300 HydrophobicContact CB-CD2 4.07Å; E286-F300 HydrophobicContact CB-CE2 4.02Å; E286-F300 HydrophobicContact CB-CZ 4.41Å; I289-F300 HydrophobicContact CD1-CB 3.9Å; I289-F300 HydrophobicContact CD1-CD2 4.04Å; I289-F300 HydrophobicContact CD1-CG 4.5Å; G298-F300 VanDerWaalsContact C-N 3.35Å; G298-F300 PolarHBondContact O-N 3.17Å; F300-L304 HydrophobicContact CD1-CD1 4.11Å; F300-L304 HydrophobicContact CE1-CD1 3.49Å; F300-L304 VanDerWaalsContact CE1-CD1 3.49Å; F300-L304 HydrophobicContact CE1-CG 4.42Å; F300-L304 HydrophobicContact CE2-CD1 4.23Å; F300-L304 HydrophobicContact CZ-CD1 3.58Å; F300-L304 HydrophobicContact CZ-CG 4.33Å; F300-L304 WeakPolarHBondContact O-CG 3.46Å; F300-L304 PolarHBondContact O-N 3.19Å
301G94.5Very high86.9Confident32 Ų3278.5 Ų78.533%0.3339%0.387SS..Hα-helixtrans-66-44.8176.700000112.2G298 R299 L303 L304 L305G298-G301 WeakPolarHBondContact O-CA 3.29Å; G298-G301 PolarHBondContact O-N 3.41Å; R299-G301 VanDerWaalsContact C-N 3.3Å; R299-G301 PolarHBondContact O-N 3.08Å; G301-L303 VanDerWaalsContact C-N 3.35Å; G301-L303 PolarHBondContact O-N 2.96Å; G301-L304 PolarHBondContact O-N 3.33Å; G301-L305 WeakPolarHBondContact O-CB 3.39Å; G301-L305 VanDerWaalsContact O-CG 3.25Å; G301-L305 WeakPolarHBondContact O-CG 3.38Å; G301-L305 PolarHBondContact O-N 2.73Å
302E94.3Very high87.7Confident103 Ų10376.4 Ų76.448%0.48138%0.38SS..Hα-helixtrans-57.8-45.5177.5-70.6-179.6168.900112I245 G298 R299 L304 L305I245-E302 HydrophobicContact CD1-CB 4.22Å; G298-E302 PolarHBondContact O-N 2.75Å; R299-E302 PolarHBondContact O-N 3.41Å; E302-L304 PolarHBondContact O-N 3.22Å; E302-L305 PolarHBondContact O-N 3Å
303L96.3Very high88.9Confident0 Ų071 Ų710%036%0.359CS..Hα-helixtrans-61-43.7176.9-71.1170.9000112.3I245 I247 E251 L255 L285 I289 R299 G301 L306I245-L303 HydrophobicContact CG2-CD2 3.91Å; I245-L303 HydrophobicContact CG2-CG 4.5Å; I247-L303 HydrophobicContact CB-CD2 4.46Å; I247-L303 HydrophobicContact CD1-CD2 3.73Å; I247-L303 HydrophobicContact CG1-CD2 3.93Å; E251-L303 HydrophobicContact CB-CD1 4.21Å; E251-L303 HydrophobicContact CG-CD1 4.18Å; L255-L303 HydrophobicContact CD1-CB 4.23Å; L255-L303 HydrophobicContact CD1-CD2 4.04Å; L255-L303 HydrophobicContact CD2-CB 4.21Å; L285-L303 HydrophobicContact CD1-CD1 4.4Å; I289-L303 HydrophobicContact CD1-CD1 3.69Å; R299-L303 HydrophobicContact CG-CD1 4.35Å; R299-L303 WeakPolarHBondContact O-CG 3.31Å; R299-L303 PolarHBondContact O-N 3.44Å; G301-L303 VanDerWaalsContact C-N 3.35Å; G301-L303 PolarHBondContact O-N 2.96Å; L303-L306 HydrophobicContact CD2-CD1 4.39Å; L303-L306 WeakPolarHBondContact O-CB 3.37Å; L303-L306 WeakPolarHBondContact O-CG 3.38Å; L303-L306 PolarHBondContact O-N 3.15Å
304L97.4Very high91Very high41 Ų4164.6 Ų64.622%0.21533%0.33CS..Hα-helixtrans-71.2-29.5179.3-66.9-173.7000113.2L255 I258 F300 G301 E302 L306 L307L255-L304 HydrophobicContact CD2-CD2 4.13Å; I258-L304 HydrophobicContact CD1-CD2 4.06Å; F300-L304 HydrophobicContact CD1-CD1 4.11Å; F300-L304 HydrophobicContact CE1-CD1 3.49Å; F300-L304 VanDerWaalsContact CE1-CD1 3.49Å; F300-L304 HydrophobicContact CE1-CG 4.42Å; F300-L304 HydrophobicContact CE2-CD1 4.23Å; F300-L304 HydrophobicContact CZ-CD1 3.58Å; F300-L304 HydrophobicContact CZ-CG 4.33Å; F300-L304 WeakPolarHBondContact O-CG 3.46Å; F300-L304 PolarHBondContact O-N 3.19Å; G301-L304 PolarHBondContact O-N 3.33Å; E302-L304 PolarHBondContact O-N 3.22Å; L304-L306 PolarHBondContact O-N 2.92Å; L304-L307 HydrophobicContact CD2-CD1 4.17Å; L304-L307 WeakPolarHBondContact O-CB 3.12Å; L304-L307 WeakPolarHBondContact O-CG 3.37Å; L304-L307 PolarHBondContact O-N 2.96Å; L304-L307 VanDerWaalsContact O-N 3.11Å
305L97.8Very high92.9Very high127 Ų12762.4 Ų62.467%0.66532%0.32SS*.THydrogen-bonded Turntrans-71.5-6.7176.9-73.2171.4000113.3G301 E302 L307 P308G301-L305 WeakPolarHBondContact O-CB 3.39Å; G301-L305 VanDerWaalsContact O-CG 3.25Å; G301-L305 WeakPolarHBondContact O-CG 3.38Å; G301-L305 PolarHBondContact O-N 2.73Å; E302-L305 PolarHBondContact O-N 3Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-P308 WeakPolarHBondContact O-CD 3.4Å
306L98Very high94.4Very high16 Ų1658.7 Ų58.78%0.08430%0.299CS..Hα-helixtrans-73.3-25168.5-57.7168.8000111.9P241 F242 I245 L255 L303 L304 T309 L310P241-L306 HydrophobicContact CB-CD2 3.62Å; P241-L306 HydrophobicContact CG-CD2 4.45Å; F242-L306 HydrophobicContact CD1-CD1 3.97Å; F242-L306 HydrophobicContact CE1-CD1 3.72Å; I245-L306 HydrophobicContact CD1-CD1 4Å; I245-L306 HydrophobicContact CD1-CD2 4.34Å; I245-L306 HydrophobicContact CD1-CG 4.5Å; L255-L306 HydrophobicContact CD1-CD1 4.28Å; L303-L306 HydrophobicContact CD2-CD1 4.39Å; L303-L306 WeakPolarHBondContact O-CB 3.37Å; L303-L306 WeakPolarHBondContact O-CG 3.38Å; L303-L306 PolarHBondContact O-N 3.15Å; L304-L306 PolarHBondContact O-N 2.92Å; L306-T309 PolarHBondContact O-N 3.21Å; L306-L310 WeakPolarHBondContact O-CB 3.46Å; L306-L310 PolarHBondContact O-N 2.86Å
307L98.3Very high95.7Very high33 Ų3358.1 Ų58.117%0.17329%0.294CS..Hα-helixtrans-66.9-43.4-173.1-56.6-178.4000114.2L255 I258 V259 L304 L305 T309 L310 Q311L255-L307 HydrophobicContact CD2-CD2 4.39Å; I258-L307 HydrophobicContact CG2-CD1 4Å; V259-L307 HydrophobicContact CG2-CD2 3.53Å; L304-L307 HydrophobicContact CD2-CD1 4.17Å; L304-L307 WeakPolarHBondContact O-CB 3.12Å; L304-L307 WeakPolarHBondContact O-CG 3.37Å; L304-L307 PolarHBondContact O-N 2.96Å; L304-L307 VanDerWaalsContact O-N 3.11Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L307-T309 VanDerWaalsContact C-N 3.3Å; L307-T309 PolarHBondContact O-N 3.42Å; L307-L310 HydrophobicContact CD2-CD2 4.34Å; L307-L310 WeakPolarHBondContact O-CB 2.99Å; L307-L310 PolarHBondContact O-N 2.96Å; L307-Q311 WeakPolarHBondContact O-CG 3.49Å; L307-Q311 PolarHBondContact O-N 3.17Å
308P98.6Very high96.4Very high74 Ų7447.3 Ų47.348%0.48126%0.255SS..Hα-helixtrans-61.4-40.2175.9-2435.3000112.5L305 Q311 S312L305-P308 WeakPolarHBondContact O-CD 3.4Å; P308-Q311 PolarHBondContact O-N 3.35Å; P308-S312 PolarHBondContact O-N 3.07Å
309T98.4Very high96.7Very high42 Ų4250.7 Ų50.726%0.25826%0.258SS..Hα-helixtrans-66.2-44.5177.7-56.20000111.3E237 L306 L307 Q311 S312 I313E237-T309 HydrophobicContact CB-CG2 3.58Å; E237-T309 HydrophobicContact CG-CG2 4.37Å; E237-T309 WeakPolarHBondContact OE2-CG2 3.48Å; L306-T309 PolarHBondContact O-N 3.21Å; L307-T309 VanDerWaalsContact C-N 3.3Å; L307-T309 PolarHBondContact O-N 3.42Å; T309-Q311 VanDerWaalsContact C-N 3.33Å; T309-Q311 PolarHBondContact O-N 3.38Å; T309-S312 WeakPolarHBondContact O-CB 3.25Å; T309-S312 PolarHBondContact O-N 3.43Å; T309-S312 VanDerWaalsContact O-N 3.16Å; T309-I313 HydrophobicContact CG2-CD1 3.96Å; T309-I313 VanDerWaalsContact O-CG1 3.32Å; T309-I313 WeakPolarHBondContact O-CG1 3.39Å; T309-I313 PolarHBondContact O-N 3.24Å
310L98.8Very high96.7Very high2 Ų251.2 Ų51.21%0.0126%0.262CS..Hα-helixtrans-55-46.8173176.166.1000112.2E193 L196 L197 L238 V259 L306 L307 I313 T314E193-L310 HydrophobicContact CB-CD1 4.43Å; E193-L310 HydrophobicContact CB-CD2 3.87Å; E193-L310 HydrophobicContact CB-CG 3.97Å; E193-L310 HydrophobicContact CG-CD2 4.24Å; E193-L310 HydrophobicContact CG-CG 4.01Å; L196-L310 HydrophobicContact CB-CD1 3.64Å; L197-L310 HydrophobicContact CD1-CD2 3.69Å; L197-L310 HydrophobicContact CD2-CD1 4.29Å; L197-L310 HydrophobicContact CD2-CD2 3.83Å; L197-L310 HydrophobicContact CG-CD1 3.97Å; L197-L310 HydrophobicContact CG-CD2 3.54Å; L197-L310 HydrophobicContact CG-CG 4.4Å; L238-L310 HydrophobicContact CD1-CD1 3.92Å; L238-L310 HydrophobicContact CD2-CB 4.2Å; L238-L310 HydrophobicContact CD2-CD1 4.43Å; V259-L310 HydrophobicContact CG2-CD2 4.25Å; L306-L310 WeakPolarHBondContact O-CB 3.46Å; L306-L310 PolarHBondContact O-N 2.86Å; L307-L310 HydrophobicContact CD2-CD2 4.34Å; L307-L310 WeakPolarHBondContact O-CB 2.99Å; L307-L310 PolarHBondContact O-N 2.96Å; L310-I313 PolarHBondContact O-N 3.43Å; L310-T314 WeakPolarHBondContact O-CB 3.3Å; L310-T314 PolarHBondContact O-N 3.02Å; L310-T314 PolarHBondContact O-OG1 3.4Å
311Q98.1Very high96.6Very high88 Ų8849.5 Ų49.541%0.41126%0.255SS..Hα-helixtrans-61.3-47.7175.6-73.5179.9-10.900111.1E193 L307 P308 T309 I313 T314 W315E193-Q311 HydrophobicContact CG-CG 4.34Å; L307-Q311 WeakPolarHBondContact O-CG 3.49Å; L307-Q311 PolarHBondContact O-N 3.17Å; P308-Q311 PolarHBondContact O-N 3.35Å; T309-Q311 VanDerWaalsContact C-N 3.33Å; T309-Q311 PolarHBondContact O-N 3.38Å; Q311-I313 VanDerWaalsContact C-N 3.34Å; Q311-I313 PolarHBondContact O-N 3.27Å; Q311-T314 WeakPolarHBondContact O-CB 3.18Å; Q311-T314 PolarHBondContact O-N 3.4Å; Q311-T314 VanDerWaalsContact O-N 3.13Å; Q311-W315 PolarHBondContact O-N 2.93Å
312S98.6Very high96.5Very high56 Ų5652.6 Ų52.639%0.39226%0.261SS..Hα-helixtrans-55.7-44.9179.1175.80000112.9R233 P308 T309 Q316R233-S312 PolarHBondContact NH1-OG 2.99Å; R233-S312 PolarHBondContact NH2-OG 3.28Å; P308-S312 PolarHBondContact O-N 3.07Å; T309-S312 WeakPolarHBondContact O-CB 3.25Å; T309-S312 PolarHBondContact O-N 3.43Å; T309-S312 VanDerWaalsContact O-N 3.16Å; S312-Q316 PolarHBondContact O-N 2.94Å
313I98.5Very high96.3Very high0 Ų052.7 Ų52.70%026%0.26CS..Hα-helixtrans-70.7-37.6179-57.7163.7000110.4L196 V230 R233 I234 E237 L238 T309 L310 Q311 W315 Q316 M317L196-I313 HydrophobicContact CD1-CB 3.84Å; L196-I313 HydrophobicContact CD1-CG2 3.53Å; V230-I313 HydrophobicContact CG1-CG2 4.1Å; R233-I313 HydrophobicContact CB-CD1 4.28Å; R233-I313 HydrophobicContact CB-CG1 4.13Å; R233-I313 HydrophobicContact CB-CG2 4.38Å; I234-I313 HydrophobicContact CG1-CG2 3.75Å; E237-I313 HydrophobicContact CB-CD1 3.99Å; L238-I313 HydrophobicContact CD1-CD1 3.85Å; L238-I313 HydrophobicContact CD2-CD1 4.38Å; L238-I313 HydrophobicContact CG-CD1 3.77Å; T309-I313 HydrophobicContact CG2-CD1 3.96Å; T309-I313 VanDerWaalsContact O-CG1 3.32Å; T309-I313 WeakPolarHBondContact O-CG1 3.39Å; T309-I313 PolarHBondContact O-N 3.24Å; L310-I313 PolarHBondContact O-N 3.43Å; Q311-I313 VanDerWaalsContact C-N 3.34Å; Q311-I313 PolarHBondContact O-N 3.27Å; I313-W315 PolarHBondContact O-N 3.11Å; I313-Q316 PolarHBondContact O-N 3.03Å; I313-M317 WeakPolarHBondContact O-CB 3.35Å; I313-M317 PolarHBondContact O-N 3.3Å
314T98.4Very high95.8Very high2 Ų253.2 Ų53.21%0.01226%0.262CS..Hα-helixtrans-61.1-44.1177.1-59.60000111.7E193 L196 L310 Q311 Q316 M317 I318E193-T314 HydrophobicContact CG-CG2 4.25Å; L196-T314 WeakPolarHBondContact CD1-OG1 3.4Å; L310-T314 WeakPolarHBondContact O-CB 3.3Å; L310-T314 PolarHBondContact O-N 3.02Å; L310-T314 PolarHBondContact O-OG1 3.4Å; Q311-T314 WeakPolarHBondContact O-CB 3.18Å; Q311-T314 PolarHBondContact O-N 3.4Å; Q311-T314 VanDerWaalsContact O-N 3.13Å; T314-Q316 VanDerWaalsContact C-N 3.35Å; T314-Q316 PolarHBondContact O-N 3.45Å; T314-M317 HydrophobicContact CG2-CE 4.31Å; T314-M317 WeakPolarHBondContact O-CB 3.45Å; T314-M317 PolarHBondContact O-N 3.35Å; T314-I318 HydrophobicContact CG2-CD1 3.88Å; T314-I318 HydrophobicContact CG2-CG1 4.39Å; T314-I318 WeakPolarHBondContact O-CG1 3.3Å; T314-I318 PolarHBondContact O-N 3.24Å
315W96.9Very high95.4Very high182 Ų18255.8 Ų55.869%0.68927%0.272SS*.Hα-helixtrans-57.8-46.9175-80.1108.7000112.1Q311 I313 M317 I318 E319Q311-W315 PolarHBondContact O-N 2.93Å; I313-W315 PolarHBondContact O-N 3.11Å; W315-M317 VanDerWaalsContact C-N 3.34Å; W315-M317 PolarHBondContact O-N 2.99Å; W315-I318 PolarHBondContact O-N 3.04Å; W315-E319 PolarHBondContact O-N 3.45Å
316Q97.4Very high95Very high44 Ų4456.9 Ų56.921%0.20628%0.278CS..Hα-helixtrans-62.5-42.1177-171.8-178.9-0.100111.5V230 S312 I313 T314 E319 Q320V230-Q316 HydrophobicContact CG2-CG 4.14Å; S312-Q316 PolarHBondContact O-N 2.94Å; I313-Q316 PolarHBondContact O-N 3.03Å; T314-Q316 VanDerWaalsContact C-N 3.35Å; T314-Q316 PolarHBondContact O-N 3.45Å; Q316-E319 PolarHBondContact O-N 2.94Å; Q316-Q320 WeakPolarHBondContact O-CG 3.46Å; Q316-Q320 PolarHBondContact O-N 3.17Å
317M96.9Very high94.5Very high10 Ų1059.3 Ų59.35%0.04930%0.295CS..Hα-helixtrans-59.6-46.5175.8-179.1-16872.900111.6M158 L196 V230 I313 T314 W315 E319 Q320 L321M158-M317 HydrophobicContact CE-CE 4.33Å; M158-M317 HydrophobicContact CE-CG 3.98Å; M158-M317 HydrophobicContact CE-SD 3.37Å; M158-M317 WeakPolarHBondContact CE-SD 3.3Å; L196-M317 HydrophobicContact CD2-SD 3.51Å; L196-M317 VanDerWaalsContact CD2-SD 3.51Å; L196-M317 HydrophobicContact CG-SD 4.06Å; V230-M317 HydrophobicContact CG1-CB 4.02Å; V230-M317 HydrophobicContact CG1-CG 4.47Å; I313-M317 WeakPolarHBondContact O-CB 3.35Å; I313-M317 PolarHBondContact O-N 3.3Å; T314-M317 HydrophobicContact CG2-CE 4.31Å; T314-M317 WeakPolarHBondContact O-CB 3.45Å; T314-M317 PolarHBondContact O-N 3.35Å; W315-M317 VanDerWaalsContact C-N 3.34Å; W315-M317 PolarHBondContact O-N 2.99Å; M317-E319 VanDerWaalsContact C-N 3.35Å; M317-Q320 PolarHBondContact O-N 3.35Å; M317-L321 HydrophobicContact CG-CD1 4.29Å; M317-L321 WeakPolarHBondContact O-CG 3.15Å; M317-L321 PolarHBondContact O-N 2.98Å
318I95.2Very high93.8Very high25 Ų2560.6 Ų60.613%0.12832%0.317CS..Hα-helixtrans-62.7-42.8178.7-70171.4000110.6T314 W315 Q320 L321 Q322 L341T314-I318 HydrophobicContact CG2-CD1 3.88Å; T314-I318 HydrophobicContact CG2-CG1 4.39Å; T314-I318 WeakPolarHBondContact O-CG1 3.3Å; T314-I318 PolarHBondContact O-N 3.24Å; W315-I318 PolarHBondContact O-N 3.04Å; I318-Q320 PolarHBondContact O-N 2.94Å; I318-L321 PolarHBondContact O-N 3.26Å; I318-Q322 HydrophobicContact CG2-CG 4.47Å; I318-Q322 WeakPolarHBondContact O-CG 3.48Å; I318-Q322 PolarHBondContact O-N 3.34Å; I318-L341 HydrophobicContact CG2-CD2 4Å
319E93.3Very high92.9Very high117 Ų11762.6 Ų62.655%0.54732%0.323SS..Hα-helixtrans-58.9-45.7175.6-175.9-176.3-158.300111.6W315 Q316 M317 L321 Q322 F323W315-E319 PolarHBondContact O-N 3.45Å; Q316-E319 PolarHBondContact O-N 2.94Å; M317-E319 VanDerWaalsContact C-N 3.35Å; E319-L321 VanDerWaalsContact C-N 3.35Å; E319-L321 PolarHBondContact O-N 3.17Å; E319-Q322 PolarHBondContact O-N 2.76Å; E319-F323 PolarHBondContact O-N 3.3Å
320Q91.7Very high92.1Very high32 Ų3261.6 Ų61.615%0.1532%0.318CS..Hα-helixtrans-63.4-40.3176.4-62.6-43.3-68.200111.8V230 Q316 M317 I318 Q322 F323 I324V230-Q320 HydrophobicContact CG2-CG 3.94Å; Q316-Q320 WeakPolarHBondContact O-CG 3.46Å; Q316-Q320 PolarHBondContact O-N 3.17Å; M317-Q320 PolarHBondContact O-N 3.35Å; I318-Q320 PolarHBondContact O-N 2.94Å; Q320-Q322 VanDerWaalsContact C-N 3.35Å; Q320-Q322 PolarHBondContact O-N 2.74Å; Q320-F323 PolarHBondContact O-N 2.86Å; Q320-I324 WeakPolarHBondContact O-CB 3.32Å; Q320-I324 WeakPolarHBondContact O-CD1 3.29Å; Q320-I324 VanDerWaalsContact O-CG1 3.28Å; Q320-I324 WeakPolarHBondContact O-CG1 3.29Å; Q320-I324 PolarHBondContact O-N 3.44Å
321L91.5Very high91.4Very high13 Ų1371.4 Ų71.47%0.06836%0.361CS..Hα-helixtrans-63.4-39.4175.9-75171.3000112.3M158 M317 I318 E319 I324 K325 L340 L341M158-L321 HydrophobicContact CE-CD1 4.18Å; M158-L321 HydrophobicContact SD-CD1 3.89Å; M158-L321 HydrophobicContact SD-CD2 4.24Å; M317-L321 HydrophobicContact CG-CD1 4.29Å; M317-L321 WeakPolarHBondContact O-CG 3.15Å; M317-L321 PolarHBondContact O-N 2.98Å; I318-L321 PolarHBondContact O-N 3.26Å; E319-L321 VanDerWaalsContact C-N 3.35Å; E319-L321 PolarHBondContact O-N 3.17Å; L321-I324 PolarHBondContact O-N 3.08Å; L321-K325 WeakPolarHBondContact O-CB 3.41Å; L321-K325 PolarHBondContact O-N 2.93Å; L321-L340 HydrophobicContact CD1-CD1 4.12Å; L321-L341 HydrophobicContact CB-CD2 4.24Å
322Q91.3Very high90.9Very high97 Ų9768.6 Ų68.645%0.45335%0.349SS..Hα-helixtrans-63.3-42.9174.8-72.1177.6-12.400111.6I318 E319 Q320 K325 L326 L341I318-Q322 HydrophobicContact CG2-CG 4.47Å; I318-Q322 WeakPolarHBondContact O-CG 3.48Å; I318-Q322 PolarHBondContact O-N 3.34Å; E319-Q322 PolarHBondContact O-N 2.76Å; Q320-Q322 VanDerWaalsContact C-N 3.35Å; Q320-Q322 PolarHBondContact O-N 2.74Å; Q322-K325 PolarHBondContact O-N 3.42Å; Q322-L326 WeakPolarHBondContact O-CB 3.37Å; Q322-L326 PolarHBondContact O-N 3.02Å; Q322-L341 HydrophobicContact CG-CD2 3.71Å
323F90.3Very high90.4Very high106 Ų10669.3 Ų69.347%0.46535%0.348SS..Hα-helixtrans-62.4-48.4176.2179.5-99.1000112E319 Q320 K325 L326 C327E319-F323 PolarHBondContact O-N 3.3Å; Q320-F323 PolarHBondContact O-N 2.86Å; F323-K325 VanDerWaalsContact C-N 3.27Å; F323-K325 PolarHBondContact O-N 2.79Å; F323-L326 PolarHBondContact O-N 3.45Å; F323-L326 VanDerWaalsContact O-N 3.1Å; F323-C327 VanDerWaalsContact CZ-SG 3.54Å; F323-C327 PolarHBondContact O-N 3.2Å
324I87.3Confident90.1Very high11 Ų1175.2 Ų75.26%0.05638%0.38CS..Hα-helixtrans-55.9-43.5176.5-73.9163.9000111.1V151 Q320 L321 G328 L329 A330V151-I324 HydrophobicContact CG1-CD1 3.92Å; V151-I324 HydrophobicContact CG1-CG1 4.48Å; V151-I324 HydrophobicContact CG1-CG2 3.71Å; Q320-I324 WeakPolarHBondContact O-CB 3.32Å; Q320-I324 WeakPolarHBondContact O-CD1 3.29Å; Q320-I324 VanDerWaalsContact O-CG1 3.28Å; Q320-I324 WeakPolarHBondContact O-CG1 3.29Å; Q320-I324 PolarHBondContact O-N 3.44Å; L321-I324 PolarHBondContact O-N 3.08Å; I324-G328 PolarHBondContact O-N 3.2Å; I324-L329 HydrophobicContact CG2-CB 4.11Å; I324-L329 PolarHBondContact O-N 2.92Å; I324-A330 HydrophobicContact CG2-CB 3.84Å
325K87.8Confident89.8Confident94 Ų9477.1 Ų77.141%0.40939%0.389SS..Hα-helixtrans-62.5-47.2175.9-174.1-173.7172.7-168.20111.6L321 Q322 F323 C327 G328 I332 L341L321-K325 WeakPolarHBondContact O-CB 3.41Å; L321-K325 PolarHBondContact O-N 2.93Å; Q322-K325 PolarHBondContact O-N 3.42Å; F323-K325 VanDerWaalsContact C-N 3.27Å; F323-K325 PolarHBondContact O-N 2.79Å; K325-C327 VanDerWaalsContact C-N 3.33Å; K325-C327 PolarHBondContact O-N 3.33Å; K325-G328 PolarHBondContact O-N 3.5Å; K325-G328 VanDerWaalsContact O-N 3.15Å; K325-I332 HydrophobicContact CB-CG1 3.81Å; K325-I332 HydrophobicContact CD-CG1 4.26Å; K325-I332 HydrophobicContact CG-CG1 3.89Å; K325-L341 HydrophobicContact CD-CD1 3.93Å
326L88.9Confident89.6Confident151 Ų15168.7 Ų68.779%0.79136%0.358SS*.Hα-helixtrans-63.9-38.5-177.4-175.564.3000112Q322 F323 G328Q322-L326 WeakPolarHBondContact O-CB 3.37Å; Q322-L326 PolarHBondContact O-N 3.02Å; F323-L326 PolarHBondContact O-N 3.45Å; F323-L326 VanDerWaalsContact O-N 3.1Å; L326-G328 VanDerWaalsContact C-N 3.27Å; L326-G328 PolarHBondContact O-N 3.16Å
327C87.9Confident89.3Confident66 Ų6668 Ų6845%0.44635%0.354SS..THydrogen-bonded Turntrans-79.7-5.5177.1-660000113.8F323 K325 L329F323-C327 VanDerWaalsContact CZ-SG 3.54Å; F323-C327 PolarHBondContact O-N 3.2Å; K325-C327 VanDerWaalsContact C-N 3.33Å; K325-C327 PolarHBondContact O-N 3.33Å; C327-L329 VanDerWaalsContact C-N 3.25Å; C327-L329 HydrophobicContact CB-CD1 4.02Å; C327-L329 HydrophobicContact CB-CG 3.81Å; C327-L329 PolarHBondContact O-N 3.41Å
328G83.6Confident89.1Confident61 Ų6171.8 Ų71.863%0.62937%0.372SS*.THydrogen-bonded Turntrans67.622.9-178.800000114.1I324 K325 L326 A330I324-G328 PolarHBondContact O-N 3.2Å; K325-G328 PolarHBondContact O-N 3.5Å; K325-G328 VanDerWaalsContact O-N 3.15Å; L326-G328 VanDerWaalsContact C-N 3.27Å; L326-G328 PolarHBondContact O-N 3.16Å; G328-A330 VanDerWaalsContact C-N 3.31Å; G328-A330 PolarHBondContact O-N 2.95Å
329L81Confident89Confident116 Ų11671.3 Ų71.361%0.60737%0.37SS*.SBendtrans-73.1-24.1-176.8-66.4174000112.6I324 C327I324-L329 HydrophobicContact CG2-CB 4.11Å; I324-L329 PolarHBondContact O-N 2.92Å; C327-L329 VanDerWaalsContact C-N 3.25Å; C327-L329 HydrophobicContact CB-CD1 4.02Å; C327-L329 HydrophobicContact CB-CG 3.81Å; C327-L329 PolarHBondContact O-N 3.41Å
330A81.6Confident88.9Confident20 Ų2066.6 Ų66.617%0.16535%0.348CS..SBendtrans-149.5154.1173.800000111.5V151 I324 G328 I332V151-A330 HydrophobicContact CB-CB 4.43Å; V151-A330 HydrophobicContact CG1-CB 3.7Å; I324-A330 HydrophobicContact CG2-CB 3.84Å; G328-A330 VanDerWaalsContact C-N 3.31Å; G328-A330 PolarHBondContact O-N 2.95Å; A330-I332 PolarHBondContact O-N 3.25Å
331K83.6Confident88.7Confident208 Ų20866.4 Ų66.490%0.90435%0.348SS*.PPolyproline II helixtrans-80118.7171.6-69.4-175.8179.8179.50109.2
332I86.5Confident88.1Confident30 Ų3067.7 Ų67.715%0.15436%0.364CS..PPolyproline II helixtrans-87.8121.4172.9-55.2-55.4000108.7K325 A330 L336 L341K325-I332 HydrophobicContact CB-CG1 3.81Å; K325-I332 HydrophobicContact CD-CG1 4.26Å; K325-I332 HydrophobicContact CG-CG1 3.89Å; A330-I332 PolarHBondContact O-N 3.25Å; I332-L336 HydrophobicContact CG2-CB 3.68Å; I332-L336 HydrophobicContact CG2-CD1 4.36Å; I332-L341 HydrophobicContact CG2-CD1 4.07Å
333D89.4Confident86.6Confident71 Ų7164.9 Ų64.938%0.3836%0.361SS..PPolyproline II helixtrans-65153176.4-175.4-102.1000111.9R159 L335 L336 Q337R159-D333 VanDerWaalsContact CD-CG 3.45Å; R159-D333 WeakPolarHBondContact CD-OD1 3.38Å; R159-D333 HydrophobicContact CG-CB 4.41Å; D333-L335 PolarHBondContact O-N 3.04Å; D333-L335 VanDerWaalsContact OD1-CB 3.23Å; D333-L335 WeakPolarHBondContact OD1-CB 3.45Å; D333-L335 PolarHBondContact OD1-N 2.95Å; D333-L336 HydrophobicContact CB-CD1 4.23Å; D333-L336 HydrophobicContact CB-CG 4.48Å; D333-L336 WeakPolarHBondContact O-CB 3.44Å; D333-L336 PolarHBondContact O-N 3.09Å; D333-L336 VanDerWaalsContact O-N 3.13Å; D333-Q337 PolarHBondContact O-N 3.3Å
334N91.1Very high84.2Confident124 Ų12467.2 Ų67.266%0.66338%0.378SS*.Hα-helixtrans-58.7-35.2180-68.1-23.2000112.3Q337 E338N334-Q337 WeakPolarHBondContact O-CB 3.31Å; N334-Q337 PolarHBondContact O-N 2.92Å; N334-E338 WeakPolarHBondContact O-CG 3.39Å; N334-E338 PolarHBondContact O-N 2.97Å
335L92.4Very high81.8Confident42 Ų4272 Ų7222%0.2241%0.407CS..Hα-helixtrans-64.4-44.1177.5-174.865.3000111.5R159 L162 L163 D333 Q337 E338 M339R159-L335 HydrophobicContact CG-CD2 4.19Å; L162-L335 HydrophobicContact CB-CD2 3.92Å; L162-L335 HydrophobicContact CB-CG 4.41Å; L162-L335 HydrophobicContact CD1-CD2 4.48Å; L162-L335 HydrophobicContact CD1-CG 4.23Å; L163-L335 HydrophobicContact CD2-CD2 3.76Å; L163-L335 HydrophobicContact CG-CD2 3.94Å; D333-L335 PolarHBondContact O-N 3.04Å; D333-L335 VanDerWaalsContact OD1-CB 3.23Å; D333-L335 WeakPolarHBondContact OD1-CB 3.45Å; D333-L335 PolarHBondContact OD1-N 2.95Å; L335-Q337 VanDerWaalsContact C-N 3.3Å; L335-Q337 PolarHBondContact O-N 3.21Å; L335-E338 PolarHBondContact O-N 2.94Å; L335-M339 HydrophobicContact CD1-CG 4.05Å; L335-M339 HydrophobicContact CD1-SD 3.54Å; L335-M339 VanDerWaalsContact CD1-SD 3.54Å; L335-M339 HydrophobicContact CG-CG 4.49Å; L335-M339 HydrophobicContact CG-SD 3.94Å; L335-M339 WeakPolarHBondContact O-CB 3.5Å; L335-M339 WeakPolarHBondContact O-CG 3.19Å; L335-M339 PolarHBondContact O-N 3.36Å
336L92.4Very high79.2Confident5 Ų573.9 Ų73.93%0.02643%0.427CS..Hα-helixtrans-63.7-40176.1-68.8167.9000111C155 M158 R159 L162 I332 D333 L340 L341C155-L336 HydrophobicContact CB-CD1 4.09Å; M158-L336 HydrophobicContact CB-CD2 3.54Å; R159-L336 HydrophobicContact CB-CD1 4.41Å; R159-L336 HydrophobicContact CB-CG 4.37Å; L162-L336 HydrophobicContact CD1-CD2 3.71Å; I332-L336 HydrophobicContact CG2-CB 3.68Å; I332-L336 HydrophobicContact CG2-CD1 4.36Å; D333-L336 HydrophobicContact CB-CD1 4.23Å; D333-L336 HydrophobicContact CB-CG 4.48Å; D333-L336 WeakPolarHBondContact O-CB 3.44Å; D333-L336 PolarHBondContact O-N 3.09Å; D333-L336 VanDerWaalsContact O-N 3.13Å; L336-L340 HydrophobicContact CD2-CD1 3.66Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 PolarHBondContact O-N 2.96Å; L336-L341 PolarHBondContact O-N 2.99Å
337Q91.9Very high76.4Confident28 Ų2873.7 Ų73.713%0.13142%0.422CS..Hα-helixtrans-59-52.5175.1-178.460.342.900110.9D333 N334 L335 M339 L341 G342D333-Q337 PolarHBondContact O-N 3.3Å; N334-Q337 WeakPolarHBondContact O-CB 3.31Å; N334-Q337 PolarHBondContact O-N 2.92Å; L335-Q337 VanDerWaalsContact C-N 3.3Å; L335-Q337 PolarHBondContact O-N 3.21Å; Q337-M339 PolarHBondContact O-N 3.11Å; Q337-L341 CarbonylContact O-C 3.31Å; Q337-L341 PolarHBondContact O-N 2.73Å; Q337-L341 VanDerWaalsContact O-N 3.15Å; Q337-G342 PolarHBondContact NE2-O 2.98Å; Q337-G342 CarbonylContact O-C 3.56Å; Q337-G342 VanDerWaalsContact O-C 3.31Å; Q337-G342 PolarHBondContact O-N 3.32Å; Q337-G342 VanDerWaalsContact O-N 3.1Å
338E91.6Very high73.6Confident90 Ų9075.7 Ų75.742%0.42144%0.437SS..Hα-helixtrans-67.1-36.8-176.2-74-173.5-156.600113.8R188 N334 L335R188-E338 IonicContact NH2-OE2 3.6Å; R188-E338 PolarHBondContact NH2-OE2 3.31Å; N334-E338 WeakPolarHBondContact O-CG 3.39Å; N334-E338 PolarHBondContact O-N 2.97Å; L335-E338 PolarHBondContact O-N 2.94Å
339M93.6Very high71.1Confident16 Ų1676.2 Ų76.28%0.07943%0.431CS..Hα-helixtrans-92.3-27.4-174-65-171.476.700114.2L162 L165 L187 R188 A191 L335 Q337L162-M339 HydrophobicContact CB-SD 3.93Å; L162-M339 HydrophobicContact CD1-CB 4Å; L162-M339 HydrophobicContact CD1-CG 4.46Å; L162-M339 HydrophobicContact CD1-SD 3.9Å; L162-M339 HydrophobicContact CD2-CB 4.47Å; L162-M339 HydrophobicContact CD2-CE 3.94Å; L162-M339 HydrophobicContact CD2-SD 4.02Å; L162-M339 HydrophobicContact CG-SD 4.16Å; L165-M339 HydrophobicContact CD2-CE 4.4Å; L187-M339 HydrophobicContact CB-CE 4.23Å; L187-M339 WeakPolarHBondContact O-CE 3.24Å; R188-M339 HydrophobicContact CG-CG 4.48Å; A191-M339 HydrophobicContact CB-CB 4.04Å; A191-M339 HydrophobicContact CB-CE 4.1Å; A191-M339 WeakPolarHBondContact CB-O 3.45Å; L335-M339 HydrophobicContact CD1-CG 4.05Å; L335-M339 HydrophobicContact CD1-SD 3.54Å; L335-M339 VanDerWaalsContact CD1-SD 3.54Å; L335-M339 HydrophobicContact CG-CG 4.49Å; L335-M339 HydrophobicContact CG-SD 3.94Å; L335-M339 WeakPolarHBondContact O-CB 3.5Å; L335-M339 WeakPolarHBondContact O-CG 3.19Å; L335-M339 PolarHBondContact O-N 3.36Å; Q337-M339 PolarHBondContact O-N 3.11Å
340L92.1Very high68.8Low17 Ų1779 Ų799%0.08944%0.44CS..Hα-helixtrans-115.7-40.1-174.9-57.8176.6000113.6A191 L195 L321 L336A191-L340 HydrophobicContact CB-CD2 3.78Å; L195-L340 HydrophobicContact CD1-CD1 3.89Å; L195-L340 HydrophobicContact CD1-CD2 4.1Å; L321-L340 HydrophobicContact CD1-CD1 4.12Å; L336-L340 HydrophobicContact CD2-CD1 3.66Å; L336-L340 WeakPolarHBondContact O-CB 3.48Å; L336-L340 PolarHBondContact O-N 2.96Å
341L87.1Confident66.4Low29 Ų2984.6 Ų84.615%0.15247%0.467CS..SBendtrans-101.43.6-170.4-54.4-172.6000113.1I318 L321 Q322 K325 I332 L336 Q337I318-L341 HydrophobicContact CG2-CD2 4Å; L321-L341 HydrophobicContact CB-CD2 4.24Å; Q322-L341 HydrophobicContact CG-CD2 3.71Å; K325-L341 HydrophobicContact CD-CD1 3.93Å; I332-L341 HydrophobicContact CG2-CD1 4.07Å; L336-L341 PolarHBondContact O-N 2.99Å; Q337-L341 CarbonylContact O-C 3.31Å; Q337-L341 PolarHBondContact O-N 2.73Å; Q337-L341 VanDerWaalsContact O-N 3.15Å
342G78.1Confident64.1Low39 Ų3982.8 Ų82.840%0.40246%0.461SS..  trans80.7142.2-172.200000112.4Q337Q337-G342 PolarHBondContact NE2-O 2.98Å; Q337-G342 CarbonylContact O-C 3.56Å; Q337-G342 VanDerWaalsContact O-C 3.31Å; Q337-G342 PolarHBondContact O-N 3.32Å; Q337-G342 VanDerWaalsContact O-N 3.1Å
343G59.8Low61.4Low38 Ų3889.5 Ų89.539%0.39249%0.492SS..  trans-60.4152.417300000111.5T345G343-T345 PolarHBondContact O-N 2.93Å
344L40.9Very low58.6Low156 Ų15689.7 Ų89.782%0.81750%0.503SS*.  trans-63.382.4157.6-72.7169000107T346L344-T346 PolarHBondContact O-N 3.25Å
345T36Very low55.7Low111 Ų11188.3 Ų88.368%0.68151%0.509SS*.  trans-6799.1160.751.90000105.5G343 E347G343-T345 PolarHBondContact O-N 2.93Å; T345-E347 PolarHBondContact O-N 3.35Å
346T33.2Very low52.9Low134 Ų13493.7 Ų93.782%0.82253%0.532SS*.  trans-58.168.2141.842.40000107.8L344 S348L344-T346 PolarHBondContact O-N 3.25Å; T346-S348 PolarHBondContact O-N 3.04Å
347E31.1Very low50.2Low146 Ų14699.2 Ų99.268%0.68257%0.567SS**  trans-81.288.2148-74-153168.800105T345 S349T345-E347 PolarHBondContact O-N 3.35Å; E347-S349 PolarHBondContact O-N 3.47Å
348S29.4Very low47.6Very low108 Ų108105.3 Ų105.376%0.75560%0.595SS**  trans-63.169.6142.5-60.10000107T346 H350T346-S348 PolarHBondContact O-N 3.04Å; S348-H350 VanDerWaalsContact C-N 3.31Å; S348-H350 PolarHBondContact O-N 2.74Å
349S29.7Very low44.9Very low72 Ų72107.3 Ų107.350%0.50361%0.608SS.*  trans-66.1102.4159.8460000105.3E347 L351E347-S349 PolarHBondContact O-N 3.47Å; S349-L351 PolarHBondContact O-N 2.91Å
350H33.8Very low42.3Very low174 Ų174111.6 Ų111.681%0.80664%0.635SS**  trans-55.780.4152.4-82.5-87.1000108S348S348-H350 VanDerWaalsContact C-N 3.31Å; S348-H350 PolarHBondContact O-N 2.74Å
351L30.4Very low39.8Very low138 Ų138117.3 Ų117.372%0.72366%0.661SS**  trans-116.399.7151.7-91.992.5000105.9S349 H353S349-L351 PolarHBondContact O-N 2.91Å; L351-H353 VanDerWaalsContact C-N 3.27Å; L351-H353 PolarHBondContact O-N 3.49Å
352H35.8Very low37.3Very low171 Ų171121.3 Ų121.379%0.79268%0.683SS**  trans-58.397.2156.7-84.3-87.3000108.1
353H29.2Very low35.8Very low171 Ų171128 Ų12879%0.79270%0.703SS**  trans-129.378.1152.3-98.436.3000107.5L351 A355L351-H353 VanDerWaalsContact C-N 3.27Å; L351-H353 PolarHBondContact O-N 3.49Å; H353-A355 VanDerWaalsContact C-N 3.29Å; H353-A355 PolarHBondContact O-N 3.42Å
354A30.3Very low35.5Very low75 Ų75132.5 Ų132.562%0.6272%0.723SS**  trans-69.595.1157.700000107H356A354-H356 PolarHBondContact O-N 2.95Å
355A30.6Very low36.4Very low94 Ų94130 Ų13078%0.77772%0.715SS**  trans-68.880.2156.300000107.1H353 T357H353-A355 VanDerWaalsContact C-N 3.29Å; H353-A355 PolarHBondContact O-N 3.42Å; A355-T357 PolarHBondContact O-N 3.43Å; A355-T357 VanDerWaalsContact O-N 3.09Å
356H34.7Very low37Very low155 Ų155127.4 Ų127.472%0.71871%0.709SS**  trans-68.1103165.1-92-68.2000107.6A354 Q358A354-H356 PolarHBondContact O-N 2.95Å; H356-Q358 VanDerWaalsContact C-N 3.33Å; H356-Q358 PolarHBondContact O-N 3.09Å
357T35.3Very low37.5Very low122 Ų122128.4 Ų128.475%0.74870%0.704SS**  trans-68.595.6160-250000106.6A355 L359A355-T357 PolarHBondContact O-N 3.43Å; A355-T357 VanDerWaalsContact O-N 3.09Å; T357-L359 PolarHBondContact O-N 3.46Å
358Q36.9Very low37.9Very low156 Ų156125.2 Ų125.273%0.72970%0.695SS**  trans-81112171.9-78.8-169.7-18.600109.1H356H356-Q358 VanDerWaalsContact C-N 3.33Å; H356-Q358 PolarHBondContact O-N 3.09Å
359L35.5Very low38.6Very low131 Ų131126.9 Ų126.969%0.68670%0.695SS**  trans-85.3113.3160.7-81.8151.1000107.4T357 T368T357-L359 PolarHBondContact O-N 3.46Å; L359-T368 HydrophobicContact CD2-CG2 3.43Å; L359-T368 VanDerWaalsContact CD2-CG2 3.43Å
360T39.3Very low39.1Very low106 Ų106129.3 Ų129.365%0.6571%0.706SS**  trans-114133.4168.240.10000109.6
361Q39.2Very low39.5Very low138 Ų138128.3 Ų128.365%0.64571%0.705SS**BIsolated β-bridgetrans-95.5124.9179.3-138.2172.11.300108.2
362D34.8Very low39.5Very low113 Ų113126.5 Ų126.560%0.60470%0.704SS**  trans-83.5120.4-178-148.3-6.7000110.2V364D362-V364 PolarHBondContact O-N 2.97Å
363H46.7Very low39.6Very low178 Ų178124.5 Ų124.582%0.82470%0.704SS**THydrogen-bonded Turntrans-78.113.7-164.1-89.6-61.7000115.8
364V53Low39.8Very low133 Ų133124.2 Ų124.281%0.80671%0.705SS**THydrogen-bonded Turntrans-123.4-20.9-178.7-174.40000113.9D362D362-V364 PolarHBondContact O-N 2.97Å
365T60.2Low40Very low105 Ų105126.4 Ų126.464%0.64471%0.713SS**THydrogen-bonded Turntrans-137-2.5-175.846.10000115.9H367T365-H367 PolarHBondContact O-N 3.35Å
366G47.1Very low40.1Very low55 Ų55127 Ų12757%0.56772%0.718SS**  trans73.312.1163.600000117.6
367H44Very low40Very low156 Ų156124.4 Ų124.472%0.72272%0.723SS**  trans-104.4143.8173.7-75.9-74.1000112.6T365T365-H367 PolarHBondContact O-N 3.35Å
368T41.3Very low39.6Very low79 Ų79128.1 Ų128.149%0.48573%0.732SS.*BIsolated β-bridgetrans-99.6129.6-179.9-49.60000110.7L359L359-T368 HydrophobicContact CD2-CG2 3.43Å; L359-T368 VanDerWaalsContact CD2-CG2 3.43Å
369L43.8Very low39.2Very low143 Ų143127.2 Ų127.275%0.74974%0.737SS**  trans-122.6147.3176.6-72.8170.6000111.4
370V39.5Very low39Very low123 Ų123126.6 Ų126.675%0.74574%0.741SS**  trans-105.7125.2178-178.30000109.1
371I41.3Very low38.6Very low152 Ų152130.8 Ų130.878%0.77975%0.753SS**  trans-112.9128.6178-58.4175.4000109.2
372S31.1Very low38.2Very low101 Ų101132.5 Ų132.571%0.70677%0.765SS**  trans-112.1128.1173.9-169.70000109.7
373T37.3Very low38Very low129 Ų129131.7 Ų131.779%0.79177%0.774SS**  trans-112.7128.6174.742.10000110.4
374M34Very low37.2Very low164 Ų164128.9 Ų128.981%0.80877%0.774SS**PPolyproline II helixtrans-95.1136.7173.8-68.1-72.7140.200110.1
375P33.6Very low36.2Very low122 Ų122128.3 Ų128.379%0.79277%0.774SS**PPolyproline II helixtrans-94.3141.7175.630.5-23000113.1
376A34.3Very low35.3Very low105 Ų105132.5 Ų132.587%0.86879%0.786SS**PPolyproline II helixtrans-89.4140.7172.500000111.3
377A31.4Very low34.5Very low102 Ų102136.4 Ų136.484%0.84380%0.799SS**PPolyproline II helixtrans-103.8132.3178.500000112.5
378Q27.8Very low34Very low199 Ų199134.8 Ų134.893%0.9380%0.802SS**PPolyproline II helixtrans-90.5141.7172.5-71.2172.1-40.300110.8
379V27.7Very low34Very low137 Ų137138.7 Ų138.783%0.8382%0.818SS**PPolyproline II helixtrans-103.6136.2179.1179.90000110.3
380P31.7Very low33.5Very low119 Ų119137.6 Ų137.677%0.77382%0.82SS**PPolyproline II helixtrans-85.6141171.6216.5000112.9
381Q31.9Very low33.4Very low194 Ų194137.1 Ų137.191%0.90782%0.822SS**PPolyproline II helixtrans-77.8132.5178.6-71.2175-44.600113.4
382I29.7Very low33.4Very low173 Ų173135.6 Ų135.689%0.88782%0.822SS**  trans-141.1141.1152.7-63.2-176.7000108.7
383A30.7Very low33.7Very low97 Ų97137 Ų13780%0.80283%0.828SS**PPolyproline II helixtrans-68.9149.4-163.200000117.2
384S30.7Very low33.6Very low118 Ų118140.1 Ų140.183%0.82583%0.834SS**PPolyproline II helixtrans-93.9152.2176.5-50.80000113.4
385P31.9Very low33.7Very low122 Ų122135.7 Ų135.779%0.79283%0.831SS**PPolyproline II helixtrans-97.4145.3149.130.7-19.1000111.6
386E40.4Very low34.2Very low192 Ų192135.9 Ų135.990%0.89783%0.832SS**PPolyproline II helixtrans-70.4143.7-174.9-64175.2120.800114
387T31.4Very low33.9Very low138 Ų138137.5 Ų137.585%0.84783%0.831SS**  trans-153.9154.9151.326.40000110.9
388P32.8Very low33.8Very low122 Ų122139.1 Ų139.179%0.79283%0.831SS**PPolyproline II helixtrans-91.8158.5-145.734.6-35.1000116.3
389I41.3Very low34Very low160 Ų160137.1 Ų137.182%0.82182%0.821SS**PPolyproline II helixtrans-79.7138.9-176.3-59.2164.4000111.9
390P32.9Very low34.2Very low120 Ų120139.4 Ų139.478%0.77983%0.825SS**PPolyproline II helixtrans-93.7141.215931.9-22.9000112
391S36.8Very low34.2Very low114 Ų114142.9 Ų142.980%0.79782%0.824SS**PPolyproline II helixtrans-74160.3-174.7-52.10000114.7
392P41.7Very low34.2Very low119 Ų119142.8 Ų142.877%0.77382%0.821SS**PPolyproline II helixtrans-84.5167-171.234-34.2000114.5
393P36.9Very low34.3Very low130 Ų130143.4 Ų143.484%0.84482%0.82SS**PPolyproline II helixtrans-85.3142.7-167.533.3-32.8000113.5
394Q34.9Very low34.3Very low196 Ų196148.2 Ų148.292%0.91682%0.823SS**  trans-105129.1164.1-71-177.1-20.700109.1
395G36.2Very low34.7Very low71 Ų71148.3 Ų148.373%0.73282%0.821SS**  trans-84.1-169.9164.600000111.8
396P44.1Very low35Very low126 Ų126151 Ų15182%0.81882%0.823SS**  -114.9144.2-67.234.9-25.9000110.6
397T28.4Very low34.8Very low138 Ų138147.9 Ų147.985%0.84782%0.819SS**  trans-145.1118.5164.742.10000113.1
398T30.2Very low35.1Very low136 Ų136150.3 Ų150.383%0.83482%0.821SS**  trans45.8104.4144.1-33.50000120.2
399E31.3Very low35.3Very low158 Ų158150.4 Ų150.474%0.73882%0.822SS**  trans-68.9134.1166.1-67.4-170.213900112.9Y401E399-Y401 HydrophobicContact CB-CD2 4.41Å
400M31.6Very low35.7Very low185 Ų185148.3 Ų148.391%0.91182%0.819SS**  trans-123.592.7155.3-86.9-159.468.200108.8
401Y32.6Very low36.2Very low192 Ų192148.5 Ų148.575%0.75382%0.821SS**PPolyproline II helixtrans-86.5121169.7-92.9-83.7000111.1E399E399-Y401 HydrophobicContact CB-CD2 4.41Å
402K31.7Very low36.4Very low192 Ų192148 Ų14884%0.83582%0.823SS**PPolyproline II helixtrans-73.3129.2165.8-79.3178.2175.8175.70109.8
403H31.3Very low36.4Very low185 Ų185147.6 Ų147.686%0.85682%0.823SS**PPolyproline II helixtrans-64.6139171.3-93.140000112.7
404F31.4Very low36.6Very low198 Ų198147.6 Ų147.687%0.86882%0.823SS**  trans-129.6136.9149.8-90.6-82.5000109.1
405P37.9Very low36.7Very low121 Ų121144 Ų14479%0.78682%0.82SS**PPolyproline II helixtrans-83.5138.8-167.731.2-32.5000113.2
406Q38.6Very low36.7Very low178 Ų178145.8 Ų145.883%0.83282%0.821SS**PPolyproline II helixtrans-83.8150.6165-84.9-170.6-33.600111.4
407P36.9Very low36.5Very low126 Ų126145.4 Ų145.482%0.81882%0.821SS**PPolyproline II helixtrans-78.1135.6175.630.4-30.5000112.1
408H37.7Very low37.1Very low190 Ų190145.5 Ų145.588%0.8882%0.822SS**PPolyproline II helixtrans-69.7128.6179.5-71.9-83.2000112.8
409C37.1Very low37.5Very low123 Ų123148.1 Ų148.183%0.83183%0.825SS**PPolyproline II helixtrans-87.2139.5156.1-93.20000109.8
410P49.5Very low38.1Very low116 Ų116146.1 Ų146.175%0.75382%0.824SS**PPolyproline II helixtrans-83.5155.4175.533.2-31.3000112
411P43.6Very low38.5Very low125 Ų125144.2 Ų144.281%0.81282%0.817SS**PPolyproline II helixtrans-78.1148.8-174.931.1-33.3000113.1
412A40.1Very low39.6Very low102 Ų102144.4 Ų144.484%0.84384%0.842SS**PPolyproline II helixtrans-65.6138.817700000112.6
413S43Very low40Very low111 Ų111142 Ų14278%0.77684%0.842SS**PPolyproline II helixtrans-81.7149.6171.4-33.70000110.7
414P40.4Very low40.5Very low130 Ų130139.7 Ų139.784%0.84484%0.841SS**PPolyproline II helixtrans-75.1143.9-179.229.9-32.2000112.4
415S36.6Very low41Very low121 Ų121136.5 Ų136.585%0.84684%0.84SS**PPolyproline II helixtrans-66.5126.3178.242.50000112.5
416S36.6Very low41.2Very low109 Ų109137.4 Ų137.476%0.76284%0.843SS**PPolyproline II helixtrans-77.5121.3167.254.10000110.7
417S40.7Very low41.4Very low117 Ų117134.9 Ų134.982%0.81884%0.843SS**PPolyproline II helixtrans-59123.3163.649.60000111.8
418T40.3Very low41.6Very low141 Ų141135.5 Ų135.587%0.86585%0.845SS**PPolyproline II helixtrans-102.5117.9159.322.30000109.6
419Q38.8Very low41.9Very low191 Ų191131.6 Ų131.689%0.89384%0.843SS**PPolyproline II helixtrans-54.6137.9171.3-80.1165.7-43.600111.9
420T43.6Very low42.3Very low116 Ų116132.2 Ų132.271%0.71284%0.844SS**PPolyproline II helixtrans-77.6150.9154.4410000110.9
421D39.2Very low41.7Very low145 Ų145133.6 Ų133.678%0.77585%0.851SS**  trans94.9152.1152.1-54.7-31.5000119.7
422P57.6Low41.5Very low195 Ų195134.4 Ų134.4100%1.26686%0.855SS**  cis-116.90-1.934.7-18.8000115.9

Retrieved 422 of 422 residues in 750.5 ms (Link to these results)