A0A060WM51_ONCMY Loading...

Pancreas transcription factor 1 subunit alpha

AlphaFold DB , UniProt , Accession A0A060WM51, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529128, Length 266 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
1M42.9Very low44.5Very low225 Ų225140.4 Ų140.4100%1.10879%0.788SS**  060.80-59-114.3-175.800106.4
2D39.8Very low44.5Very low147 Ų147140.9 Ų140.979%0.78679%0.788SS**  56.5112.267.8-57.6-56000112.2
3T45.3Very low44.7Very low130 Ų130138.4 Ų138.480%0.79879%0.786SS**  trans165.197.3130.436.40000108.1
4V45.8Very low44Very low125 Ų125143.9 Ų143.976%0.75880%0.797SS**  69.9117.199.4-64.90000114.4
5L48.9Very low43.8Very low148 Ų148142.1 Ų142.178%0.77580%0.798SS**  61.8123.8108.8-125.277.3000111.5
6D46.2Very low44.1Very low120 Ų120140.3 Ų140.364%0.64280%0.798SS**  -166.3154.566.5-135.9-14.7000115.2
7T48Very low44.6Very low121 Ų121138.6 Ų138.674%0.74279%0.794SS**  trans-88.6128.2167.2-27.40000105.7
8F38.3Very low44.2Very low184 Ų184142.6 Ų142.681%0.80780%0.795SS**  trans-133.7106167.4-119-90.5000112.3
9T47.6Very low44.1Very low121 Ų121142.9 Ų142.974%0.74279%0.788SS**  trans-60.9137.2153.348.60000110.9
10G42.1Very low44.4Very low68 Ų68144.1 Ų144.170%0.70179%0.793SS**  trans-16595162.500000108.4
11L45.1Very low44.6Very low155 Ų155142.8 Ų142.881%0.81278%0.781SS**  69.1105.586.9-79.2169.5000114
12D43.5Very low44.5Very low147 Ų147138.5 Ų138.579%0.78676%0.763SS**  trans28.6114.8132.4-73.7-32.8000119.5
13S47Very low44.8Very low108 Ų108140.1 Ų140.176%0.75577%0.771SS**  trans-160.7105.7138.5-92.70000108.9
14F36Very low44.7Very low215 Ų215141.3 Ų141.394%0.94377%0.766SS**  -156115.5116-89-68.7000108.7
15S40.5Very low44.5Very low117 Ų117142.7 Ų142.782%0.81876%0.762SS**  trans-62.2126.9179.3-1660000111.1
16S48.1Very low44.4Very low114 Ų114142.6 Ų142.680%0.79777%0.767SS**  trans-110.5112.2165.7-171.60000108
17P52.8Low44.4Very low111 Ų111142.6 Ų142.672%0.72177%0.768SS**  trans-93.8111.4162.932.5-22.4000107.9
18Y37.7Very low44.1Very low211 Ų211145.7 Ų145.783%0.82777%0.773SS**  86.896.495.7-144.2-96.7000112.1
19F42.8Very low44.1Very low149 Ų149141.3 Ų141.365%0.65477%0.766SS**  trans-7.5125.8138.5-123.4-127.1000115E21F19-E21 HydrophobicContact CD1-CG 3.31Å; F19-E21 HydrophobicContact CE1-CG 3.05Å; F19-E21 WeakPolarHBondContact CE1-OE1 3.4Å; F19-E21 HydrophobicContact CG-CG 4.35Å; F19-E21 HydrophobicContact CZ-CG 3.91Å; F19-E21 WeakPolarHBondContact CZ-OE1 3.41Å
20D50.1Low44Very low165 Ų165140.1 Ų140.188%0.88276%0.762SS**  trans-125.7114.3143.4-121.7-49.7000106
21E48.2Very low44.4Very low118 Ų118148.8 Ų148.855%0.55177%0.774SS**  trans-84.2166.1169.3-67.8-103.4111.100108.7F19F19-E21 HydrophobicContact CD1-CG 3.31Å; F19-E21 HydrophobicContact CE1-CG 3.05Å; F19-E21 WeakPolarHBondContact CE1-OE1 3.4Å; F19-E21 HydrophobicContact CG-CG 4.35Å; F19-E21 HydrophobicContact CZ-CG 3.91Å; F19-E21 WeakPolarHBondContact CZ-OE1 3.41Å
22D39.8Very low44.1Very low135 Ų135148 Ų14872%0.72277%0.771SS**  trans81.584.3161.6-52.4-43.9000116.6
23D46.5Very low44.4Very low180 Ų180148.5 Ų148.596%0.96377%0.768SS**  -126.8115.3121.2-114-31.9000110.9
24F44Very low44.2Very low155 Ų155150.2 Ų150.268%0.6877%0.768SS**  trans-96.2123.5-161.4169.6-85.2000109.6
25F40.6Very low44.4Very low155 Ų155144.5 Ų144.568%0.6875%0.747SS**  trans62.2114153.3-74.1-110.1000119.8
26T48.5Very low44.8Very low145 Ų145143.7 Ų143.789%0.8974%0.737SS**  -137.4120.3118.2-7.40000110.5
27D46.2Very low44.6Very low121 Ų121145 Ų14565%0.64774%0.736SS**  trans-52.2132.6170.7-173.114.8000111.8S29D27-S29 PolarHBondContact OD1-N 2.9Å
28Q41.3Very low44.6Very low185 Ų185146.6 Ų146.686%0.86473%0.733SS**  trans-152.887.4149.4-112157.586.400108.6
29S38.6Very low44.8Very low92 Ų92144.2 Ų144.264%0.64373%0.728SS**  trans-31.2129.715163.90000113.8D27D27-S29 PolarHBondContact OD1-N 2.9Å
30S44.1Very low45.3Very low96 Ų96141.4 Ų141.467%0.67172%0.719SS**  trans16392.2141.3-72.40000105.1
31R52Low45.5Very low251 Ų251137.4 Ų137.495%0.94770%0.697SS**  47.152.766.8-145.9178.2-178171.70.4112.7
32D37.8Very low45.8Very low139 Ų139137.7 Ų137.774%0.74370%0.703SS**  trans-105.2110.6159.6-75.6-35.4000110.6L34D32-L34 PolarHBondContact O-N 3.27Å
33H49.7Very low46.6Very low156 Ų156135.5 Ų135.572%0.72269%0.691SS**  trans-63.9100.3163.5-176.456.1000107.6D35H33-D35 IonicContact CD2-OD1 3.23Å; H33-D35 IonicContact CD2-OD2 2.9Å; H33-D35 PolarHBondContact CD2-OD2 3.16Å; H33-D35 VanDerWaalsContact CD2-OD2 3.23Å; H33-D35 IonicContact NE2-OD1 3.65Å; H33-D35 IonicContact NE2-OD2 3.88Å; H33-D35 PolarHBondContact O-N 3.32Å; H33-D35 VanDerWaalsContact O-N 3.1Å
34L42.3Very low47.2Very low144 Ų144128 Ų12875%0.75465%0.652SS**  trans-80.391.4171.6-69179000108.8D32 T36D32-L34 PolarHBondContact O-N 3.27Å; L34-T36 HydrophobicContact CB-CG2 4.47Å; L34-T36 PolarHBondContact O-N 3.44Å; L34-T36 PolarHBondContact O-OG1 2.95Å
35D41.9Very low48Very low95 Ų95124.8 Ų124.851%0.50864%0.642SS.*  trans-57.980.1153.7-78.4-55.5000109.2H33 D37H33-D35 IonicContact CD2-OD1 3.23Å; H33-D35 IonicContact CD2-OD2 2.9Å; H33-D35 PolarHBondContact CD2-OD2 3.16Å; H33-D35 VanDerWaalsContact CD2-OD2 3.23Å; H33-D35 IonicContact NE2-OD1 3.65Å; H33-D35 IonicContact NE2-OD2 3.88Å; H33-D35 PolarHBondContact O-N 3.32Å; H33-D35 VanDerWaalsContact O-N 3.1Å; D35-D37 PolarHBondContact O-N 3.16Å
36T47.8Very low49.1Very low101 Ų101124.1 Ų124.162%0.6264%0.639SS**THydrogen-bonded Turntrans-75.40.2174.528.20000113.9L34L34-T36 HydrophobicContact CB-CG2 4.47Å; L34-T36 PolarHBondContact O-N 3.44Å; L34-T36 PolarHBondContact O-OG1 2.95Å
37D44.7Very low49.9Very low142 Ų142120 Ų12076%0.75961%0.611SS**THydrogen-bonded Turntrans-99.1-11.9-178.4-71.6-34.4000113.5D35D35-D37 PolarHBondContact O-N 3.16Å
38E51.2Low50.9Low144 Ų144117.3 Ų117.367%0.67360%0.599SS**SBendtrans-93.1-20.8-178.7-154.1169-158.700113.3L40E38-L40 PolarHBondContact O-N 3.09Å
39F42.3Very low52Low161 Ų161111.4 Ų111.471%0.70658%0.578SS**Hα-helixtrans-81.3-12.7-173-133.6-92.5000115
40L53.6Low53.4Low89 Ų89112 Ų11247%0.46657%0.571SS.*Hα-helixtrans-92.8-13.3-174.5-68.5179000114E38 V44E38-L40 PolarHBondContact O-N 3.09Å; L40-V44 WeakPolarHBondContact O-CB 2.89Å; L40-V44 WeakPolarHBondContact O-CG2 3.28Å
41D53.8Low54.3Low81 Ų81108.9 Ų108.943%0.43355%0.545SS..Hα-helixtrans-85.3-36.9-178.7-81.1-45.6000112.8V44 D45 R128D41-V44 PolarHBondContact O-N 3.01Å; D41-D45 PolarHBondContact O-N 3.41Å; D41-D45 VanDerWaalsContact O-N 3.1Å; D41-R128 PolarHBondContact O-NH2 2.73Å; D41-R128 VanDerWaalsContact O-NH2 3.16Å; D41-R128 IonicContact OD1-CZ 3.7Å; D41-R128 VanDerWaalsContact OD1-CZ 3.25Å; D41-R128 IonicContact OD1-NE 3.85Å; D41-R128 PolarHBondContact OD1-NE 3.4Å; D41-R128 IonicContact OD1-NH2 3.98Å; D41-R128 PolarHBondContact OD1-NH2 2.85Å
42D54.4Low54.9Low124 Ų124103.5 Ų103.566%0.66353%0.53SS*.Hα-helixtrans-66.8-42.1175.9-85.7-66.1000112.8V44 D45 F46D42-V44 VanDerWaalsContact C-N 3.26Å; D42-V44 PolarHBondContact O-N 3.03Å; D42-D45 PolarHBondContact O-N 2.9Å; D42-F46 WeakPolarHBondContact O-CB 3.4Å; D42-F46 PolarHBondContact O-N 3.36Å
43D57.5Low55.7Low89 Ų89100.3 Ų100.348%0.47651%0.514SS..Hα-helixtrans-66.6-31178.6-79.7-26.5000112.3L47D43-L47 WeakPolarHBondContact O-CB 3.25Å; D43-L47 PolarHBondContact O-N 3.34Å
44V58.9Low55.8Low24 Ų2498.3 Ų98.315%0.14550%0.5CS..Hα-helixtrans-74-42178.6162.40000111.2L40 D41 D42 L47 T48 V124 R128L40-V44 WeakPolarHBondContact O-CB 2.89Å; L40-V44 WeakPolarHBondContact O-CG2 3.28Å; D41-V44 PolarHBondContact O-N 3.01Å; D42-V44 VanDerWaalsContact C-N 3.26Å; D42-V44 PolarHBondContact O-N 3.03Å; V44-L47 PolarHBondContact O-N 3.07Å; V44-T48 WeakPolarHBondContact O-CB 3.49Å; V44-T48 PolarHBondContact O-N 3.45Å; V44-T48 PolarHBondContact O-OG1 2.96Å; V44-V124 HydrophobicContact CB-CG1 3.92Å; V44-V124 HydrophobicContact CG1-CB 4.44Å; V44-V124 HydrophobicContact CG1-CG1 3.27Å; V44-V124 HydrophobicContact CG2-CB 4.3Å; V44-V124 HydrophobicContact CG2-CG1 3.38Å; V44-V124 HydrophobicContact CG2-CG2 3.95Å; V44-R128 VanDerWaalsContact CG1-CZ 3.42Å; V44-R128 VanDerWaalsContact CG1-NH2 3.3Å
45D60.4Low56.3Low86 Ų8696.4 Ų96.446%0.4648%0.484SS..Hα-helixtrans-72.9-34.5178.1-70.8-6.1000110.3D41 D42 T48 S49 R128D41-D45 PolarHBondContact O-N 3.41Å; D41-D45 VanDerWaalsContact O-N 3.1Å; D42-D45 PolarHBondContact O-N 2.9Å; D45-T48 PolarHBondContact O-N 3.37Å; D45-S49 VanDerWaalsContact O-CB 3.23Å; D45-S49 WeakPolarHBondContact O-CB 3.36Å; D45-S49 PolarHBondContact O-N 2.88Å; D45-R128 IonicContact OD1-CZ 4Å; D45-R128 IonicContact OD1-NH1 2.74Å; D45-R128 PolarHBondContact OD1-NH1 2.89Å; D45-R128 IonicContact OD1-NH2 3.64Å; D45-R128 PolarHBondContact OD1-NH2 2.99Å; D45-R128 VanDerWaalsContact OD1-NH2 3.12Å
46F63.9Low56.7Low142 Ų14298.7 Ų98.762%0.62349%0.489SS*.Hα-helixtrans-60.8-48.3169178.7-101.5000111.9D42 T48 S49 H50D42-F46 WeakPolarHBondContact O-CB 3.4Å; D42-F46 PolarHBondContact O-N 3.36Å; F46-T48 PolarHBondContact O-N 2.89Å; F46-S49 PolarHBondContact O-N 3.22Å; F46-H50 WeakPolarHBondContact O-CB 3.38Å; F46-H50 PolarHBondContact O-N 3.46Å
47L65.2Low56.3Low57 Ų5799.3 Ų99.330%0.29849%0.489SS..Hα-helixtrans-68-37.5179.5-163.272.8000111.3D43 V44 H50 F51D43-L47 WeakPolarHBondContact O-CB 3.25Å; D43-L47 PolarHBondContact O-N 3.34Å; V44-L47 PolarHBondContact O-N 3.07Å; L47-H50 PolarHBondContact O-N 2.93Å; L47-F51 HydrophobicContact CB-CE2 4.44Å; L47-F51 HydrophobicContact CD1-CE2 4.1Å; L47-F51 HydrophobicContact CD1-CZ 3.85Å; L47-F51 HydrophobicContact CD2-CE2 3.74Å; L47-F51 HydrophobicContact CD2-CZ 4.08Å; L47-F51 HydrophobicContact CG-CD2 4.19Å; L47-F51 HydrophobicContact CG-CE2 3.39Å; L47-F51 HydrophobicContact CG-CZ 3.68Å; L47-F51 WeakPolarHBondContact O-CD2 3.45Å; L47-F51 WeakPolarHBondContact O-CE2 3.39Å; L47-F51 VanDerWaalsContact O-CG 3.29Å; L47-F51 WeakPolarHBondContact O-CG 3.35Å; L47-F51 PolarHBondContact O-N 3.45Å
48T66.7Low56.4Low66 Ų6696 Ų9641%0.40548%0.476SS..Hα-helixtrans-65.4-41.7174-59.70000111.5V44 D45 F46 F51 Q52V44-T48 WeakPolarHBondContact O-CB 3.49Å; V44-T48 PolarHBondContact O-N 3.45Å; V44-T48 PolarHBondContact O-OG1 2.96Å; D45-T48 PolarHBondContact O-N 3.37Å; F46-T48 PolarHBondContact O-N 2.89Å; T48-F51 PolarHBondContact O-N 3.33Å; T48-Q52 PolarHBondContact O-N 3.38Å
49S65.9Low56.4Low60 Ų6099.7 Ų99.742%0.4248%0.484SS..Hα-helixtrans-63.8-46.9174.2-170.10000111.3D45 F46 F51 Q52 D53D45-S49 VanDerWaalsContact O-CB 3.23Å; D45-S49 WeakPolarHBondContact O-CB 3.36Å; D45-S49 PolarHBondContact O-N 2.88Å; F46-S49 PolarHBondContact O-N 3.22Å; S49-F51 PolarHBondContact O-N 3.41Å; S49-Q52 WeakPolarHBondContact O-CA 3.47Å; S49-Q52 WeakPolarHBondContact O-CB 3.39Å; S49-Q52 PolarHBondContact O-N 2.94Å; S49-D53 PolarHBondContact O-N 3.47Å
50H68.1Low56.6Low106 Ų10699 Ų9949%0.49149%0.487SS..Hα-helixtrans-59.7-36.1177.8-170.164.7000112.1F46 L47 Y54F46-H50 WeakPolarHBondContact O-CB 3.38Å; F46-H50 PolarHBondContact O-N 3.46Å; L47-H50 PolarHBondContact O-N 2.93Å; H50-Y54 WeakPolarHBondContact O-CB 3.48Å; H50-Y54 PolarHBondContact O-N 3.26Å
51F63.1Low55.9Low30 Ų3098.8 Ų98.813%0.13250%0.499CS..Hα-helixtrans-71-40.3172.2-66.6-42.6000113.2L47 T48 S49 D53 Y54 Y55 H117L47-F51 HydrophobicContact CB-CE2 4.44Å; L47-F51 HydrophobicContact CD1-CE2 4.1Å; L47-F51 HydrophobicContact CD1-CZ 3.85Å; L47-F51 HydrophobicContact CD2-CE2 3.74Å; L47-F51 HydrophobicContact CD2-CZ 4.08Å; L47-F51 HydrophobicContact CG-CD2 4.19Å; L47-F51 HydrophobicContact CG-CE2 3.39Å; L47-F51 HydrophobicContact CG-CZ 3.68Å; L47-F51 WeakPolarHBondContact O-CD2 3.45Å; L47-F51 WeakPolarHBondContact O-CE2 3.39Å; L47-F51 VanDerWaalsContact O-CG 3.29Å; L47-F51 WeakPolarHBondContact O-CG 3.35Å; L47-F51 PolarHBondContact O-N 3.45Å; T48-F51 PolarHBondContact O-N 3.33Å; S49-F51 PolarHBondContact O-N 3.41Å; F51-D53 PolarHBondContact O-N 3.17Å; F51-Y54 PolarHBondContact O-N 3.02Å; F51-Y55 VanDerWaalsContact O-CD2 3.24Å; F51-Y55 WeakPolarHBondContact O-CD2 3.32Å; F51-Y55 PolarHBondContact O-N 3.46Å; F51-Y55 VanDerWaalsContact O-N 3.07Å; F51-H117 HydrophobicContact CD1-CB 4.42Å; F51-H117 HydrophobicContact CE1-CB 3.54Å; F51-H117 AromaticContact CE1-CE1 3.9Å; F51-H117 AromaticContact CE1-CG 3.42Å; F51-H117 VanDerWaalsContact CE1-CG 3.42Å; F51-H117 AromaticContact CE1-ND1 3.13Å; F51-H117 WeakPolarHBondContact CE1-ND1 3.37Å; F51-H117 HydrophobicContact CE2-CB 3.97Å; F51-H117 HydrophobicContact CZ-CB 3.28Å; F51-H117 AromaticContact CZ-CD2 3.93Å; F51-H117 AromaticContact CZ-CG 3.29Å; F51-H117 AromaticContact CZ-ND1 3.5Å
52Q64.3Low55.2Low137 Ų137103 Ų10364%0.6452%0.516SS*.Hα-helixtrans-57.2-42.9174.9-164.292.113.200110.2T48 S49 Y55 K56T48-Q52 PolarHBondContact O-N 3.38Å; S49-Q52 WeakPolarHBondContact O-CA 3.47Å; S49-Q52 WeakPolarHBondContact O-CB 3.39Å; S49-Q52 PolarHBondContact O-N 2.94Å; Q52-Y55 PolarHBondContact O-N 2.9Å; Q52-K56 WeakPolarHBondContact O-CB 3.42Å; Q52-K56 PolarHBondContact O-N 3.01Å
53D54.2Low54.4Low73 Ų73104 Ų10439%0.3952%0.521SS..Hα-helixtrans-69.1-43.5179.7-66.7-33.3000112.3S49 F51 Y55 K56 D57S49-D53 PolarHBondContact O-N 3.47Å; F51-D53 PolarHBondContact O-N 3.17Å; D53-Y55 VanDerWaalsContact C-N 3.31Å; D53-Y55 PolarHBondContact O-N 2.92Å; D53-K56 WeakPolarHBondContact O-CA 3.44Å; D53-K56 VanDerWaalsContact O-CB 3.3Å; D53-K56 WeakPolarHBondContact O-CB 3.24Å; D53-K56 PolarHBondContact O-N 3.46Å; D53-D57 PolarHBondContact O-N 2.67Å
54Y51.2Low53.4Low114 Ų114103.1 Ų103.145%0.44753%0.533SS..Hα-helixtrans-60.5-37.2175.4-178.7-95.4000113H50 F51 S58 E114H50-Y54 WeakPolarHBondContact O-CB 3.48Å; H50-Y54 PolarHBondContact O-N 3.26Å; F51-Y54 PolarHBondContact O-N 3.02Å; Y54-S58 PolarHBondContact O-N 3.16Å; Y54-S58 PolarHBondContact O-OG 3.33Å; Y54-S58 VanDerWaalsContact O-OG 3.09Å; Y54-E114 HydrophobicContact CE1-CG 4.31Å; Y54-E114 WeakPolarHBondContact CE1-OE1 3.31Å; Y54-E114 PolarHBondContact OH-OE1 2.8Å
55Y52.8Low52Low103 Ų103110 Ų11040%0.40457%0.569SS.*Hα-helixtrans-78.5-21.2173.9-79.5-73.6000113.5F51 Q52 D53F51-Y55 VanDerWaalsContact O-CD2 3.24Å; F51-Y55 WeakPolarHBondContact O-CD2 3.32Å; F51-Y55 PolarHBondContact O-N 3.46Å; F51-Y55 VanDerWaalsContact O-N 3.07Å; Q52-Y55 PolarHBondContact O-N 2.9Å; D53-Y55 VanDerWaalsContact C-N 3.31Å; D53-Y55 PolarHBondContact O-N 2.92Å
56K50.5Low50.9Low144 Ų144114.8 Ų114.863%0.62658%0.582SS**Hα-helixtrans-73.1-43.8173.1-141.3174.4-178.5-177.20110.7Q52 D53 S58 R59Q52-K56 WeakPolarHBondContact O-CB 3.42Å; Q52-K56 PolarHBondContact O-N 3.01Å; D53-K56 WeakPolarHBondContact O-CA 3.44Å; D53-K56 VanDerWaalsContact O-CB 3.3Å; D53-K56 WeakPolarHBondContact O-CB 3.24Å; D53-K56 PolarHBondContact O-N 3.46Å; K56-S58 PolarHBondContact O-N 3.23Å; K56-R59 PolarHBondContact O-N 3.05Å
57D40.1Very low49.6Very low114 Ų114114.4 Ų114.461%0.6160%0.595SS**Hα-helixtrans-68.3-31.4178.8-91.9-9.2000113.4D53 R59 L60D53-D57 PolarHBondContact O-N 2.67Å; D57-R59 PolarHBondContact O-N 3.17Å; D57-L60 PolarHBondContact O-N 3.04Å
58S47.2Very low48.1Very low71 Ų71119.4 Ų119.450%0.49762%0.617SS.*THydrogen-bonded Turntrans-64.7-4.5175.9-67.70000114.5Y54 K56Y54-S58 PolarHBondContact O-N 3.16Å; Y54-S58 PolarHBondContact O-OG 3.33Å; Y54-S58 VanDerWaalsContact O-OG 3.09Å; K56-S58 PolarHBondContact O-N 3.23Å
59R49.4Very low46.9Very low222 Ų222124 Ų12484%0.83864%0.637SS**THydrogen-bonded Turntrans-96.3-3.1171.3-60.3-167-168.6-174.15.2113.8K56 D57K56-R59 PolarHBondContact O-N 3.05Å; D57-R59 PolarHBondContact O-N 3.17Å
60L46.5Very low45.3Very low146 Ų146123.6 Ų123.676%0.76464%0.643SS**  trans-114.847.5-175.1-68.9177.3000113.1D57D57-L60 PolarHBondContact O-N 3.04Å
61A40.8Very low44.2Very low86 Ų86126.2 Ų126.271%0.71166%0.66SS**SBendtrans-12592.1166.500000110.9
62H38.8Very low42.8Very low170 Ų170134.1 Ų134.179%0.78770%0.695SS**SBendtrans59.1127.2158.6-89.4-92.2000119.1
63D36.3Very low41.2Very low144 Ų144132.9 Ų132.977%0.7770%0.701SS**  cis-158.8147.116.5-143.1-15000112.9
64G36.4Very low40.5Very low71 Ų71138.5 Ų138.573%0.73272%0.723SS**  trans66.697.1154.100000120.6
65D31.3Very low39.5Very low168 Ų168138 Ų13890%0.89874%0.736SS**  -175.2143.197.2-145.1-7.1000110.7
66Y37.2Very low39.1Very low187 Ų187137.8 Ų137.873%0.73375%0.749SS**  trans-84123-170.7-173.9-92.9000110.8
67C35.4Very low38.4Very low133 Ų133135.8 Ų135.890%0.89975%0.754SS**  trans-139.4138.7156.2-84.70000110.6
68E33.6Very low38.4Very low163 Ų163135.3 Ų135.376%0.76276%0.759SS**  trans-74.8161.4-153.6-164.8173.6175.100115.2G70E68-G70 PolarHBondContact O-N 3.06Å
69I41.8Very low38Very low162 Ų162137.8 Ų137.883%0.83178%0.777SS**  trans-46124.2-178.9-66.9156.3000112.8
70G33.1Very low37.2Very low52 Ų52132.9 Ų132.954%0.53677%0.771SS.*  trans-139.6107.616800000111E68 F72E68-G70 PolarHBondContact O-N 3.06Å; G70-F72 WeakPolarHBondContact O-CD2 3.32Å; G70-F72 PolarHBondContact O-N 3.18Å
71N45.2Very low36.9Very low160 Ų160135 Ų13586%0.85678%0.775SS**  trans-44122.5165.5-107.110.6000110.9
72F32.4Very low36.3Very low197 Ų197136 Ų13686%0.86478%0.776SS**  trans-135.8115.7163.7-76.3-73.3000112.7G70G70-F72 WeakPolarHBondContact O-CD2 3.32Å; G70-F72 PolarHBondContact O-N 3.18Å
73S31.9Very low36.2Very low111 Ų111137.4 Ų137.478%0.77678%0.776SS**  trans-44.3140.4166.1-57.10000112.7S75S73-S75 PolarHBondContact O-N 3.21Å; S73-S75 VanDerWaalsContact O-N 3.07Å
74F37.8Very low35.9Very low191 Ų191139 Ų13984%0.83878%0.779SS**  trans-54.8108.7169.7-177.2-100.3000110.3
75S30.3Very low35.7Very low104 Ų104141.1 Ų141.173%0.72778%0.781SS**  trans-126.2108.2163.6-75.80000108.5S73 S77S73-S75 PolarHBondContact O-N 3.21Å; S73-S75 VanDerWaalsContact O-N 3.07Å; S75-S77 PolarHBondContact O-N 3.33Å
76S45.8Very low36Very low97 Ų97139.1 Ų139.168%0.67878%0.775SS**  trans-50.8125.2163.8-68.60000110.3
77S36Very low35.8Very low103 Ų103137.1 Ų137.172%0.7278%0.777SS**  trans-152.9101.7160.1-71.60000106.5S75S75-S77 PolarHBondContact O-N 3.33Å
78S38.3Very low35.8Very low103 Ų103134.8 Ų134.872%0.7276%0.762SS**  46.499.991.9-1720000111.2T80S78-T80 PolarHBondContact O-N 2.91Å; S78-T80 PolarHBondContact O-OG1 3.1Å
79S39.7Very low36.1Very low124 Ų124133 Ų13387%0.86776%0.763SS**  trans-56.4100170.850.90000109.8
80T33Very low35.8Very low118 Ų118130.8 Ų130.872%0.72476%0.762SS**  trans-98116.3172.5-39.40000107.1S78 S82S78-T80 PolarHBondContact O-N 2.91Å; S78-T80 PolarHBondContact O-OG1 3.1Å; T80-S82 PolarHBondContact O-N 3.38Å
81F39.8Very low36Very low191 Ų191136.3 Ų136.384%0.83877%0.774SS**  trans-72.9100.2176.9-164.2-89.3000108Y83F81-Y83 PolarHBondContact O-N 2.96Å
82S29Very low35.5Very low107 Ų107135.8 Ų135.875%0.74877%0.77SS**  trans-84.1108.3172.918.50000109.6T80T80-S82 PolarHBondContact O-N 3.38Å
83Y36.5Very low35.8Very low200 Ų200132.1 Ų132.178%0.78477%0.769SS**  trans-74.9122.8155.649.2-86000106.9F81F81-Y83 PolarHBondContact O-N 2.96Å
84E28.8Very low36.7Very low177 Ų177132.1 Ų132.183%0.82777%0.766SS**  trans-106.2109.4170.1-149.9164.9150.900107.8
85C33.3Very low36.6Very low115 Ų115131.5 Ų131.578%0.77777%0.766SS**  trans-89.9117.7173.7-169.50000106.4
86T37.6Very low36.9Very low127 Ų127134.1 Ų134.178%0.77977%0.769SS**  trans-112.7114.9168.350.40000108.2
87D32.5Very low36.8Very low144 Ų144133.5 Ų133.577%0.7778%0.778SS**  trans-106.6149.8171.3-178.429000109.2
88S35.8Very low36.8Very low84 Ų84131.7 Ų131.759%0.58778%0.776SS**  trans97.695162.6-62.70000120.4
89T39.9Very low37Very low125 Ų125134.7 Ų134.777%0.76778%0.783SS**  56.5113.2125.466.40000120.8
90S35.2Very low37.4Very low116 Ų116135.1 Ų135.181%0.81178%0.78SS**  163.5119.8103.942.30000113.3
91E37.1Very low38.1Very low169 Ų169134.4 Ų134.479%0.7978%0.778SS**  trans46.9118137.4-79.8-80.7134.400122.6
92L35.7Very low38.8Very low148 Ų148133.5 Ų133.578%0.77578%0.778SS**  trans12190.5141.5-61.1179.8000118.5
93S37.8Very low40.1Very low121 Ų121136 Ų13685%0.84678%0.782SS**  trans64154.7137.6-88.80000124.1
94P51.2Low40.8Very low110 Ų110134.9 Ų134.971%0.71478%0.782SS**  trans-117.3143.8-150.538.5-24.4000114.2
95Q35.6Very low42Very low179 Ų179137.9 Ų137.984%0.83679%0.785SS**  trans-174.2153.7144.3-123.3173.265.100115.2
96M36.6Very low43Very low158 Ų158143.1 Ų143.178%0.77879%0.789SS**  trans94.6100.3162.2-51.7-44.2-109.100116.7
97G44.1Very low44.1Very low85 Ų85148 Ų14888%0.87679%0.793SS**  trans-57.7133.8166.300000111.5
98G35.3Very low45.7Very low65 Ų65151.8 Ų151.867%0.6780%0.796SS**  trans-114.9109.2155.800000106.5V100G98-V100 VanDerWaalsContact C-N 3.32Å; G98-V100 PolarHBondContact O-N 3.42Å
99D42.5Very low47.1Very low165 Ų165156 Ų15688%0.88281%0.809SS**  trans-56.197.7164.3-72.7-50.4000108.2P101D99-P101 WeakPolarHBondContact O-CD 3.26Å
100V48.3Very low48.9Very low133 Ų133156.1 Ų156.181%0.80680%0.795SS**  trans-74.8109.1162.4-95.40000106.3G98 M102G98-V100 VanDerWaalsContact C-N 3.32Å; G98-V100 PolarHBondContact O-N 3.42Å; V100-M102 PolarHBondContact O-N 3.48Å
101P48.4Very low51.4Low103 Ų103153.1 Ų153.167%0.66977%0.774SS**  trans-65.7112.3174.627.8-31.1000106.3D99 L103D99-P101 WeakPolarHBondContact O-CD 3.26Å; P101-L103 PolarHBondContact O-N 2.97Å
102M54Low53.8Low172 Ų172151.1 Ų151.185%0.84777%0.769SS**  trans-56.691.4167.9-175.8-177.2147.900107V100 K104V100-M102 PolarHBondContact O-N 3.48Å; M102-K104 PolarHBondContact O-N 3.3Å
103L56.9Low56.4Low159 Ų159150 Ų15083%0.83276%0.762SS**  trans-61.493.5175-71.6173000106.2P101 R105P101-L103 PolarHBondContact O-N 2.97Å; L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.1Å
104K51.3Low58.8Low178 Ų178146.3 Ų146.377%0.77473%0.731SS**  trans-47.8105.8164.6-91.2175.5175.81710105M102 R106M102-K104 PolarHBondContact O-N 3.3Å; K104-R106 PolarHBondContact O-N 3.38Å
105R52.3Low60.7Low240 Ų240145 Ų14591%0.90672%0.716SS**  trans-59.584.8173-168.6174-176.9167.50.9105.9L103 R107L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.1Å; R105-R107 PolarHBondContact O-N 3.41Å
106R55.6Low63.3Low225 Ų225141.8 Ų141.885%0.84970%0.701SS**  trans-52.9112.1172-75176.571.1-174.31.7103K104 R108K104-R106 PolarHBondContact O-N 3.38Å; R106-R108 PolarHBondContact O-N 3.4Å
107R60.8Low65.9Low229 Ų229136.8 Ų136.886%0.86468%0.676SS**  trans-56.999.8169.9-65.8-179.8-166.8161.62.6103.7R105 M109R105-R107 PolarHBondContact O-N 3.41Å; R107-M109 PolarHBondContact O-N 3.1Å
108R65.1Low68.3Low223 Ų223137 Ų13784%0.84266%0.656SS**  trans-55.3112.8172.3-74.7-173.5-179.61690.1103.5R106 R110R106-R108 PolarHBondContact O-N 3.4Å; R108-R110 PolarHBondContact O-N 3.44Å
109M66.3Low71.1Confident173 Ų173141.4 Ų141.485%0.85265%0.653SS**  trans-60.6111.8172.4-69.2-97.574.700104R107R107-M109 PolarHBondContact O-N 3.1Å
110R76.7Confident73.7Confident127 Ų127137.9 Ų137.948%0.47963%0.631SS.*  trans-55.8141.1176.3-74.4178.7173.6163-4.6107.9R108 E114R108-R110 PolarHBondContact O-N 3.44Å; R110-E114 WeakPolarHBondContact CA-OE2 3.33Å; R110-E114 HydrophobicContact CB-CB 4.19Å
111S88.4Confident75.8Confident53 Ų53133.2 Ų133.237%0.37161%0.606SS.*  trans-61.2155.1175.972.50000109.8M113 E114 M115S111-M113 PolarHBondContact O-N 3.03Å; S111-E114 PolarHBondContact N-OE2 3.27Å; S111-E114 VanDerWaalsContact N-OE2 3.15Å; S111-E114 PolarHBondContact O-N 2.97Å; S111-E114 VanDerWaalsContact O-N 3.11Å; S111-E114 VanDerWaalsContact OG-CG 3.28Å; S111-E114 WeakPolarHBondContact OG-CG 3.35Å; S111-E114 PolarHBondContact OG-N 2.95Å; S111-E114 VanDerWaalsContact OG-N 3.14Å; S111-M115 PolarHBondContact O-N 3.01Å
112D87.4Confident78.1Confident127 Ų127131 Ų13168%0.67960%0.596SS**Hα-helixtrans-58.5-34.7178.2-72.4-30000111.5M115 Q116D112-M115 PolarHBondContact O-N 2.89Å; D112-Q116 WeakPolarHBondContact O-CG 3.36Å; D112-Q116 PolarHBondContact O-N 3.1Å
113M88.8Confident80.1Confident126 Ų126128.3 Ų128.362%0.62159%0.585SS**Hα-helixtrans-63.3-48174.1-173.7-171.8-85.700111.7S111 M115 Q116 H117S111-M113 PolarHBondContact O-N 3.03Å; M113-M115 PolarHBondContact O-N 3.32Å; M113-Q116 PolarHBondContact O-N 3.48Å; M113-H117 WeakPolarHBondContact O-CB 3.38Å; M113-H117 VanDerWaalsContact O-CG 3.24Å; M113-H117 PolarHBondContact O-N 2.74Å
114E88.4Confident82Confident43 Ų43122.5 Ų122.520%0.20156%0.557CS.*Hα-helixtrans-60.5-34.9175.5-75.1170.2177.300112.2Y54 R110 S111 L118Y54-E114 HydrophobicContact CE1-CG 4.31Å; Y54-E114 WeakPolarHBondContact CE1-OE1 3.31Å; Y54-E114 PolarHBondContact OH-OE1 2.8Å; R110-E114 WeakPolarHBondContact CA-OE2 3.33Å; R110-E114 HydrophobicContact CB-CB 4.19Å; S111-E114 PolarHBondContact N-OE2 3.27Å; S111-E114 VanDerWaalsContact N-OE2 3.15Å; S111-E114 PolarHBondContact O-N 2.97Å; S111-E114 VanDerWaalsContact O-N 3.11Å; S111-E114 VanDerWaalsContact OG-CG 3.28Å; S111-E114 WeakPolarHBondContact OG-CG 3.35Å; S111-E114 PolarHBondContact OG-N 2.95Å; S111-E114 VanDerWaalsContact OG-N 3.14Å; E114-L118 PolarHBondContact O-N 3.47Å; E114-L118 VanDerWaalsContact O-N 3.08Å
115M91.1Very high84.3Confident81 Ų81123.5 Ų123.540%0.39956%0.556SS.*Hα-helixtrans-70-41.5176.2-170.3177.7-59.400112S111 D112 M113 H117 L118 R119S111-M115 PolarHBondContact O-N 3.01Å; D112-M115 PolarHBondContact O-N 2.89Å; M113-M115 PolarHBondContact O-N 3.32Å; M115-H117 VanDerWaalsContact C-N 3.34Å; M115-L118 PolarHBondContact O-N 3.32Å; M115-R119 VanDerWaalsContact O-CG 3.3Å; M115-R119 WeakPolarHBondContact O-CG 3.46Å; M115-R119 PolarHBondContact O-N 2.99Å
116Q92Very high86.4Confident113 Ų113116 Ų11653%0.52853%0.53SS..Hα-helixtrans-61.5-45175.8-73.5174.312.100111.2D112 M113 L118 R119 Q120D112-Q116 WeakPolarHBondContact O-CG 3.36Å; D112-Q116 PolarHBondContact O-N 3.1Å; M113-Q116 PolarHBondContact O-N 3.48Å; Q116-L118 PolarHBondContact O-N 3.07Å; Q116-R119 WeakPolarHBondContact O-CB 3.48Å; Q116-R119 PolarHBondContact O-N 2.83Å; Q116-Q120 WeakPolarHBondContact O-CG 3.29Å; Q116-Q120 PolarHBondContact O-N 3.35Å
117H90.5Very high88.5Confident53 Ų53113.1 Ų113.125%0.24552%0.52CS..Hα-helixtrans-59.6-45.1176.3-72.7175000112.8F51 M113 M115 R119 Q120 A121F51-H117 HydrophobicContact CD1-CB 4.42Å; F51-H117 HydrophobicContact CE1-CB 3.54Å; F51-H117 AromaticContact CE1-CE1 3.9Å; F51-H117 AromaticContact CE1-CG 3.42Å; F51-H117 VanDerWaalsContact CE1-CG 3.42Å; F51-H117 AromaticContact CE1-ND1 3.13Å; F51-H117 WeakPolarHBondContact CE1-ND1 3.37Å; F51-H117 HydrophobicContact CE2-CB 3.97Å; F51-H117 HydrophobicContact CZ-CB 3.28Å; F51-H117 AromaticContact CZ-CD2 3.93Å; F51-H117 AromaticContact CZ-CG 3.29Å; F51-H117 AromaticContact CZ-ND1 3.5Å; M113-H117 WeakPolarHBondContact O-CB 3.38Å; M113-H117 VanDerWaalsContact O-CG 3.24Å; M113-H117 PolarHBondContact O-N 2.74Å; M115-H117 VanDerWaalsContact C-N 3.34Å; H117-R119 VanDerWaalsContact C-N 3.3Å; H117-R119 PolarHBondContact O-N 3.36Å; H117-Q120 PolarHBondContact O-N 3.25Å; H117-A121 PolarHBondContact O-N 2.79Å
118L93.4Very high90.3Very high88 Ų88106.6 Ų106.646%0.46150%0.495SS..Hα-helixtrans-63.1-37.9175.8-175.664.9000112.4E114 M115 Q116 A122E114-L118 PolarHBondContact O-N 3.47Å; E114-L118 VanDerWaalsContact O-N 3.08Å; M115-L118 PolarHBondContact O-N 3.32Å; Q116-L118 PolarHBondContact O-N 3.07Å; L118-A122 WeakPolarHBondContact O-CB 3.21Å; L118-A122 PolarHBondContact O-N 3.38Å
119R95.4Very high91.9Very high159 Ų159102.7 Ų102.760%0.648%0.48SS*.Hα-helixtrans-64.3-42.8175.2-71.2170.2-176.9-117.45.4111.1M115 Q116 H117 A122 N123M115-R119 VanDerWaalsContact O-CG 3.3Å; M115-R119 WeakPolarHBondContact O-CG 3.46Å; M115-R119 PolarHBondContact O-N 2.99Å; Q116-R119 WeakPolarHBondContact O-CB 3.48Å; Q116-R119 PolarHBondContact O-N 2.83Å; H117-R119 VanDerWaalsContact C-N 3.3Å; H117-R119 PolarHBondContact O-N 3.36Å; R119-A122 PolarHBondContact O-N 3.42Å; R119-N123 WeakPolarHBondContact O-CB 3.29Å; R119-N123 PolarHBondContact O-N 3.12Å; R119-N123 PolarHBondContact O-ND2 2.91Å
120Q95.8Very high93.4Very high91 Ų9197.5 Ų97.543%0.42546%0.455SS..Hα-helixtrans-61.5-49.8176.1-71.7171.8-3.100111.2Q116 H117 A122 N123 V124Q116-Q120 WeakPolarHBondContact O-CG 3.29Å; Q116-Q120 PolarHBondContact O-N 3.35Å; H117-Q120 PolarHBondContact O-N 3.25Å; Q120-A122 VanDerWaalsContact C-N 3.28Å; Q120-A122 PolarHBondContact O-N 3.43Å; Q120-N123 WeakPolarHBondContact O-CB 3.49Å; Q120-N123 PolarHBondContact O-N 3.16Å; Q120-N123 VanDerWaalsContact O-N 3.12Å; Q120-V124 WeakPolarHBondContact O-CG2 3.49Å; Q120-V124 PolarHBondContact O-N 3.12Å
121A93.9Very high94.4Very high34 Ų3496.3 Ų96.328%0.28146%0.455SS..Hα-helixtrans-57.9-41176.600000112.2H117 V124 R125H117-A121 PolarHBondContact O-N 2.79Å; A121-V124 PolarHBondContact O-N 3.1Å; A121-R125 WeakPolarHBondContact O-CB 3.34Å; A121-R125 PolarHBondContact O-N 3.02Å
122A94.9Very high94.9Very high56 Ų5697.6 Ų97.646%0.46346%0.464SS..Hα-helixtrans-64.3-43.9175.200000112.5L118 R119 Q120 V124 R125 E126L118-A122 WeakPolarHBondContact O-CB 3.21Å; L118-A122 PolarHBondContact O-N 3.38Å; R119-A122 PolarHBondContact O-N 3.42Å; Q120-A122 VanDerWaalsContact C-N 3.28Å; Q120-A122 PolarHBondContact O-N 3.43Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 3.08Å; A122-R125 PolarHBondContact O-N 3.17Å; A122-E126 PolarHBondContact O-N 3.48Å
123N97.8Very high95.4Very high116 Ų11694.5 Ų94.562%0.6245%0.447SS*.Hα-helixtrans-62.6-41.3178.1-73.9-17.4000112R119 Q120 E126 R127R119-N123 WeakPolarHBondContact O-CB 3.29Å; R119-N123 PolarHBondContact O-N 3.12Å; R119-N123 PolarHBondContact O-ND2 2.91Å; Q120-N123 WeakPolarHBondContact O-CB 3.49Å; Q120-N123 PolarHBondContact O-N 3.16Å; Q120-N123 VanDerWaalsContact O-N 3.12Å; N123-E126 PolarHBondContact O-N 3.24Å; N123-R127 PolarHBondContact O-N 2.88Å
124V96.9Very high95.9Very high38 Ų3891.3 Ų91.323%0.2343%0.432CS..Hα-helixtrans-64.5-46.3177.5169.70000111.1V44 Q120 A121 A122 E126 R127 R128V44-V124 HydrophobicContact CB-CG1 3.92Å; V44-V124 HydrophobicContact CG1-CB 4.44Å; V44-V124 HydrophobicContact CG1-CG1 3.27Å; V44-V124 HydrophobicContact CG2-CB 4.3Å; V44-V124 HydrophobicContact CG2-CG1 3.38Å; V44-V124 HydrophobicContact CG2-CG2 3.95Å; Q120-V124 WeakPolarHBondContact O-CG2 3.49Å; Q120-V124 PolarHBondContact O-N 3.12Å; A121-V124 PolarHBondContact O-N 3.1Å; A122-V124 VanDerWaalsContact C-N 3.33Å; A122-V124 PolarHBondContact O-N 3.08Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 3.15Å; V124-R127 WeakPolarHBondContact O-CB 3.23Å; V124-R127 PolarHBondContact O-N 2.97Å; V124-R127 VanDerWaalsContact O-N 3.1Å; V124-R128 PolarHBondContact O-N 3.48Å
125R98.1Very high96.4Very high199 Ų19993.6 Ų93.675%0.75145%0.445SS*.Hα-helixtrans-57.2-42.2175.8-177-178.8177.8-1750.6111.7A121 A122 R128 R129A121-R125 WeakPolarHBondContact O-CB 3.34Å; A121-R125 PolarHBondContact O-N 3.02Å; A122-R125 PolarHBondContact O-N 3.17Å; R125-R128 PolarHBondContact O-N 3.29Å; R125-R129 WeakPolarHBondContact O-CB 3.21Å; R125-R129 PolarHBondContact O-N 3.23Å
126E97.9Very high96.7Very high81 Ų8193 Ų9338%0.37945%0.453SS..Hα-helixtrans-68-37.5177.4-176.362.4-177.100111.8A122 N123 V124 R129 M130A122-E126 PolarHBondContact O-N 3.48Å; N123-E126 PolarHBondContact O-N 3.24Å; V124-E126 VanDerWaalsContact C-N 3.26Å; V124-E126 PolarHBondContact O-N 3.15Å; E126-R129 VanDerWaalsContact CD-NH1 3.26Å; E126-R129 PolarHBondContact O-N 3.26Å; E126-R129 IonicContact OE1-CZ 3.99Å; E126-R129 IonicContact OE1-NH1 3.12Å; E126-R129 PolarHBondContact OE1-NH1 3.25Å; E126-R129 WeakPolarHBondContact OE2-CD 3.42Å; E126-R129 IonicContact OE2-CZ 3.76Å; E126-R129 IonicContact OE2-NH1 3.14Å; E126-R129 PolarHBondContact OE2-NH1 3.11Å; E126-M130 WeakPolarHBondContact O-CG 3.46Å; E126-M130 PolarHBondContact O-N 3.13Å; E126-M130 WeakPolarHBondContact OE1-CE 3.33Å
127R98.5Very high97Very high165 Ų16589.2 Ų89.262%0.62344%0.435SS*.Hα-helixtrans-59.6-49.1172.8-172.8-175.6-65.1-175.9-0.4111.3N123 V124 R129 M130 Q131N123-R127 PolarHBondContact O-N 2.88Å; V124-R127 WeakPolarHBondContact O-CB 3.23Å; V124-R127 PolarHBondContact O-N 2.97Å; V124-R127 VanDerWaalsContact O-N 3.1Å; R127-R129 VanDerWaalsContact C-N 3.32Å; R127-R129 PolarHBondContact O-N 3.38Å; R127-M130 PolarHBondContact O-N 3.46Å; R127-M130 VanDerWaalsContact O-N 3.13Å; R127-Q131 PolarHBondContact O-N 3.32Å
128R98.2Very high97.4Very high93 Ų9390.5 Ų90.535%0.35144%0.441SS..Hα-helixtrans-58.1-43.5175.8-73.8-174.9170.3170.31.8111.6D41 V44 D45 V124 R125 M130 Q131 S132D41-R128 PolarHBondContact O-NH2 2.73Å; D41-R128 VanDerWaalsContact O-NH2 3.16Å; D41-R128 IonicContact OD1-CZ 3.7Å; D41-R128 VanDerWaalsContact OD1-CZ 3.25Å; D41-R128 IonicContact OD1-NE 3.85Å; D41-R128 PolarHBondContact OD1-NE 3.4Å; D41-R128 IonicContact OD1-NH2 3.98Å; D41-R128 PolarHBondContact OD1-NH2 2.85Å; V44-R128 VanDerWaalsContact CG1-CZ 3.42Å; V44-R128 VanDerWaalsContact CG1-NH2 3.3Å; D45-R128 IonicContact OD1-CZ 4Å; D45-R128 IonicContact OD1-NH1 2.74Å; D45-R128 PolarHBondContact OD1-NH1 2.89Å; D45-R128 IonicContact OD1-NH2 3.64Å; D45-R128 PolarHBondContact OD1-NH2 2.99Å; D45-R128 VanDerWaalsContact OD1-NH2 3.12Å; V124-R128 PolarHBondContact O-N 3.48Å; R125-R128 PolarHBondContact O-N 3.29Å; R128-M130 PolarHBondContact O-N 2.68Å; R128-Q131 PolarHBondContact O-N 3.31Å; R128-S132 PolarHBondContact O-N 3.21Å; R128-S132 VanDerWaalsContact O-N 3.08Å
129R98.6Very high97.6Very high140 Ų14087.9 Ų87.953%0.52844%0.435SS..Hα-helixtrans-60.2-44.9174.6-178.6-174.7157-125.5-5111.8R125 E126 R127 I133R125-R129 WeakPolarHBondContact O-CB 3.21Å; R125-R129 PolarHBondContact O-N 3.23Å; E126-R129 VanDerWaalsContact CD-NH1 3.26Å; E126-R129 PolarHBondContact O-N 3.26Å; E126-R129 IonicContact OE1-CZ 3.99Å; E126-R129 IonicContact OE1-NH1 3.12Å; E126-R129 PolarHBondContact OE1-NH1 3.25Å; E126-R129 WeakPolarHBondContact OE2-CD 3.42Å; E126-R129 IonicContact OE2-CZ 3.76Å; E126-R129 IonicContact OE2-NH1 3.14Å; E126-R129 PolarHBondContact OE2-NH1 3.11Å; R127-R129 VanDerWaalsContact C-N 3.32Å; R127-R129 PolarHBondContact O-N 3.38Å; R129-I133 WeakPolarHBondContact O-CG1 3.5Å; R129-I133 PolarHBondContact O-N 2.94Å
130M98.6Very high97.7Very high65 Ų6583.2 Ų83.232%0.3242%0.422SS..Hα-helixtrans-67.3-36.2178.5-72.1-57.7101.200112.4E126 R127 R128 I133 N134E126-M130 WeakPolarHBondContact O-CG 3.46Å; E126-M130 PolarHBondContact O-N 3.13Å; E126-M130 WeakPolarHBondContact OE1-CE 3.33Å; R127-M130 PolarHBondContact O-N 3.46Å; R127-M130 VanDerWaalsContact O-N 3.13Å; R128-M130 PolarHBondContact O-N 2.68Å; M130-I133 HydrophobicContact CE-CD1 3.46Å; M130-I133 VanDerWaalsContact CE-CD1 3.46Å; M130-I133 PolarHBondContact O-N 3.23Å; M130-I133 HydrophobicContact SD-CD1 4.35Å; M130-N134 VanDerWaalsContact O-CG 3.28Å; M130-N134 PolarHBondContact O-N 2.88Å; M130-N134 PolarHBondContact O-ND2 2.88Å
131Q98.4Very high97.7Very high102 Ų10280.5 Ų80.548%0.47741%0.408SS..Hα-helixtrans-59.9-51.8175-171.859.531.900110.7R127 R128 I133 N134 D135R127-Q131 PolarHBondContact O-N 3.32Å; R128-Q131 PolarHBondContact O-N 3.31Å; Q131-I133 PolarHBondContact O-N 2.78Å; Q131-I133 VanDerWaalsContact O-N 3.17Å; Q131-N134 WeakPolarHBondContact O-CA 3.5Å; Q131-N134 WeakPolarHBondContact O-CB 3.03Å; Q131-N134 PolarHBondContact O-N 2.9Å; Q131-D135 PolarHBondContact NE2-OD1 2.7Å; Q131-D135 VanDerWaalsContact O-CG 3.27Å; Q131-D135 PolarHBondContact O-N 3.46Å
132S98.4Very high97.8Very high79 Ų7983.1 Ų83.155%0.55243%0.425SS*.Hα-helixtrans-54.6-38.4176.4174.70000113.1R128 A136R128-S132 PolarHBondContact O-N 3.21Å; R128-S132 VanDerWaalsContact O-N 3.08Å; S132-A136 PolarHBondContact O-N 2.84Å; S132-A136 VanDerWaalsContact O-N 3.12Å
133I98.3Very high97.9Very high63 Ų6387 Ų8732%0.32343%0.433SS..Hα-helixtrans-68.2-40.6175.3-67.1173.9000111.5R129 M130 Q131 A136 F137R129-I133 WeakPolarHBondContact O-CG1 3.5Å; R129-I133 PolarHBondContact O-N 2.94Å; M130-I133 HydrophobicContact CE-CD1 3.46Å; M130-I133 VanDerWaalsContact CE-CD1 3.46Å; M130-I133 PolarHBondContact O-N 3.23Å; M130-I133 HydrophobicContact SD-CD1 4.35Å; Q131-I133 PolarHBondContact O-N 2.78Å; Q131-I133 VanDerWaalsContact O-N 3.17Å; I133-A136 PolarHBondContact O-N 2.95Å; I133-F137 HydrophobicContact CG2-CD2 4.31Å; I133-F137 PolarHBondContact O-N 3.32Å
134N98.3Very high97.8Very high59 Ų5982 Ų8232%0.31641%0.406SS..Hα-helixtrans-68-38179.6-69.6-29.8000111.5M130 Q131 F137 E138 K155M130-N134 VanDerWaalsContact O-CG 3.28Å; M130-N134 PolarHBondContact O-N 2.88Å; M130-N134 PolarHBondContact O-ND2 2.88Å; Q131-N134 WeakPolarHBondContact O-CA 3.5Å; Q131-N134 WeakPolarHBondContact O-CB 3.03Å; Q131-N134 PolarHBondContact O-N 2.9Å; N134-F137 WeakPolarHBondContact O-CA 3.4Å; N134-F137 VanDerWaalsContact O-CB 3.29Å; N134-F137 WeakPolarHBondContact O-CB 3.32Å; N134-F137 PolarHBondContact O-N 3.3Å; N134-F137 VanDerWaalsContact O-N 3.15Å; N134-E138 PolarHBondContact O-N 2.92Å; N134-K155 PolarHBondContact OD1-NZ 3.5Å
135D98.4Very high97.7Very high90 Ų9084.3 Ų84.348%0.48142%0.422SS..Hα-helixtrans-63.5-44.7175.3-60.2-22.2000110.8Q131 F137 E138 G139Q131-D135 PolarHBondContact NE2-OD1 2.7Å; Q131-D135 VanDerWaalsContact O-CG 3.27Å; Q131-D135 PolarHBondContact O-N 3.46Å; D135-F137 VanDerWaalsContact C-N 3.26Å; D135-F137 PolarHBondContact O-N 2.91Å; D135-E138 PolarHBondContact O-N 3.44Å; D135-E138 VanDerWaalsContact O-N 3.1Å; D135-G139 PolarHBondContact O-N 2.85Å
136A98.4Very high97.4Very high68 Ų6878 Ų7856%0.56241%0.406SS*.Hα-helixtrans-60.4-36.2173.200000112.3S132 I133 G139 L140S132-A136 PolarHBondContact O-N 2.84Å; S132-A136 VanDerWaalsContact O-N 3.12Å; I133-A136 PolarHBondContact O-N 2.95Å; A136-G139 PolarHBondContact O-N 2.97Å; A136-L140 PolarHBondContact O-N 3.13Å
137F98.4Very high96.9Very high34 Ų3480.2 Ų80.215%0.14942%0.419CS..Hα-helixtrans-66.1-37.7174.3-113.7-82.5000112.4I133 N134 D135 L140 R141 K155 T158 L159I133-F137 HydrophobicContact CG2-CD2 4.31Å; I133-F137 PolarHBondContact O-N 3.32Å; N134-F137 WeakPolarHBondContact O-CA 3.4Å; N134-F137 VanDerWaalsContact O-CB 3.29Å; N134-F137 WeakPolarHBondContact O-CB 3.32Å; N134-F137 PolarHBondContact O-N 3.3Å; N134-F137 VanDerWaalsContact O-N 3.15Å; D135-F137 VanDerWaalsContact C-N 3.26Å; D135-F137 PolarHBondContact O-N 2.91Å; F137-L140 PolarHBondContact O-N 2.86Å; F137-R141 WeakPolarHBondContact O-CG 3.41Å; F137-R141 PolarHBondContact O-N 3.41Å; F137-K155 HydrophobicContact CD1-CG 4.21Å; F137-K155 HydrophobicContact CE1-CB 3.79Å; F137-K155 HydrophobicContact CE1-CG 3.92Å; F137-K155 WeakPolarHBondContact CE1-O 3.4Å; F137-K155 HydrophobicContact CE2-CD 4.46Å; F137-K155 HydrophobicContact CZ-CB 3.91Å; F137-K155 HydrophobicContact CZ-CD 4.41Å; F137-K155 HydrophobicContact CZ-CG 4.1Å; F137-T158 HydrophobicContact CD1-CG2 3.97Å; F137-T158 HydrophobicContact CE1-CG2 4.06Å; F137-L159 HydrophobicContact CE1-CD2 4.37Å; F137-L159 HydrophobicContact CE1-CG 4.22Å; F137-L159 HydrophobicContact CZ-CD1 4.15Å; F137-L159 HydrophobicContact CZ-CD2 4.01Å; F137-L159 HydrophobicContact CZ-CG 3.95Å
138E97.5Very high95.7Very high80 Ų8078 Ų7837%0.37443%0.426SS..Hα-helixtrans-70.2-40.8176.3-159.962.5-150.500111.3N134 D135 L140 R141 S142 R152N134-E138 PolarHBondContact O-N 2.92Å; D135-E138 PolarHBondContact O-N 3.44Å; D135-E138 VanDerWaalsContact O-N 3.1Å; E138-L140 VanDerWaalsContact C-N 3.29Å; E138-L140 PolarHBondContact O-N 3.29Å; E138-R141 WeakPolarHBondContact O-CB 3.3Å; E138-R141 PolarHBondContact O-N 3.32Å; E138-R141 VanDerWaalsContact O-N 3.1Å; E138-R141 IonicContact OE2-CZ 3.9Å; E138-R141 IonicContact OE2-NE 2.8Å; E138-R141 IonicContact OE2-NH1 3.7Å; E138-R141 PolarHBondContact OE2-NH1 3.49Å; E138-S142 PolarHBondContact O-N 2.6Å; E138-R152 IonicContact OE1-NH2 3.71Å; E138-R152 IonicContact OE2-CZ 3.83Å; E138-R152 IonicContact OE2-NE 3.09Å; E138-R152 IonicContact OE2-NH2 3.89Å; E138-R152 PolarHBondContact OE2-NH2 2.85Å
139G97.6Very high94.7Very high33 Ų3384.4 Ų84.434%0.3445%0.452SS..Hα-helixtrans-55.8-44.8170.400000111.7D135 A136 R141 S142 H143D135-G139 PolarHBondContact O-N 2.85Å; A136-G139 PolarHBondContact O-N 2.97Å; G139-R141 PolarHBondContact O-N 3.47Å; G139-S142 PolarHBondContact O-N 3.1Å; G139-S142 PolarHBondContact O-OG 3.45Å; G139-H143 PolarHBondContact O-CD2 3.01Å
140L98.3Very high93.9Very high62 Ų6282.9 Ų82.933%0.32545%0.45SS..Hα-helixtrans-60.6-44.5174.3-178.559.7000112.3A136 F137 E138 S142 H143 I144 T158 L159 A162A136-L140 PolarHBondContact O-N 3.13Å; F137-L140 PolarHBondContact O-N 2.86Å; E138-L140 VanDerWaalsContact C-N 3.29Å; E138-L140 PolarHBondContact O-N 3.29Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-S142 PolarHBondContact O-N 3.2Å; L140-H143 PolarHBondContact O-N 3.01Å; L140-H143 VanDerWaalsContact O-N 3.16Å; L140-I144 PolarHBondContact O-N 3.38Å; L140-T158 HydrophobicContact CB-CG2 4.44Å; L140-T158 HydrophobicContact CD2-CG2 3.85Å; L140-T158 HydrophobicContact CG-CG2 3.96Å; L140-L159 HydrophobicContact CD2-CD2 4.28Å; L140-A162 HydrophobicContact CD1-CB 3.92Å; L140-A162 HydrophobicContact CD2-CB 4.21Å; L140-A162 HydrophobicContact CG-CB 4.32Å
141R97.1Very high93.4Very high33 Ų3388.5 Ų88.513%0.12547%0.473CS..Hα-helixtrans-58.2-38.7177.3-72.7-179.9-167.993.913.3112.4F137 E138 G139 H143 I144 L153 T158F137-R141 WeakPolarHBondContact O-CG 3.41Å; F137-R141 PolarHBondContact O-N 3.41Å; E138-R141 WeakPolarHBondContact O-CB 3.3Å; E138-R141 PolarHBondContact O-N 3.32Å; E138-R141 VanDerWaalsContact O-N 3.1Å; E138-R141 IonicContact OE2-CZ 3.9Å; E138-R141 IonicContact OE2-NE 2.8Å; E138-R141 IonicContact OE2-NH1 3.7Å; E138-R141 PolarHBondContact OE2-NH1 3.49Å; G139-R141 PolarHBondContact O-N 3.47Å; R141-H143 PolarHBondContact O-N 2.99Å; R141-H143 VanDerWaalsContact O-N 3.17Å; R141-I144 PolarHBondContact O-N 2.9Å; R141-L153 PolarHBondContact NE-O 2.83Å; R141-L153 VanDerWaalsContact NE-O 3.13Å; R141-T158 HydrophobicContact CG-CG2 3.7Å; R141-T158 PolarHBondContact NE-OG1 2.99Å
142S95.8Very high93.1Very high90 Ų9092.3 Ų92.363%0.62948%0.483SS*.Hα-helixtrans-62-23-179.878.10000114E138 G139 L140E138-S142 PolarHBondContact O-N 2.6Å; G139-S142 PolarHBondContact O-N 3.1Å; G139-S142 PolarHBondContact O-OG 3.45Å; L140-S142 VanDerWaalsContact C-N 3.27Å; L140-S142 PolarHBondContact O-N 3.2Å
143H96.4Very high92.9Very high138 Ų13890 Ų9064%0.63947%0.465SS*.THydrogen-bonded Turntrans-94.5-7176.6-65-59.3000113.8G139 L140 R141 P145 Y165G139-H143 PolarHBondContact O-CD2 3.01Å; L140-H143 PolarHBondContact O-N 3.01Å; L140-H143 VanDerWaalsContact O-N 3.16Å; R141-H143 PolarHBondContact O-N 2.99Å; R141-H143 VanDerWaalsContact O-N 3.17Å; H143-P145 WeakPolarHBondContact O-CD 3.38Å; H143-Y165 WeakPolarHBondContact O-CE1 3.47Å
144I96.4Very high92.9Very high11 Ų1189.6 Ų89.66%0.05647%0.467CS..SBendtrans-84.1121.9175.9-62.6174.1000107.6L140 R141 T146 L153 T158 L161 A162L140-I144 PolarHBondContact O-N 3.38Å; R141-I144 PolarHBondContact O-N 2.9Å; I144-T146 HydrophobicContact CG2-CG2 3.89Å; I144-T146 PolarHBondContact O-N 3.33Å; I144-L153 HydrophobicContact CB-CD1 4.47Å; I144-L153 HydrophobicContact CD1-CD1 4.1Å; I144-L153 HydrophobicContact CG2-CD1 4.07Å; I144-T158 HydrophobicContact CD1-CG2 3.57Å; I144-T158 VanDerWaalsContact CD1-O 3.24Å; I144-T158 WeakPolarHBondContact CD1-O 3.33Å; I144-L161 HydrophobicContact CD1-CB 4.22Å; I144-L161 HydrophobicContact CG2-CB 3.8Å; I144-L161 HydrophobicContact CG2-CD1 4.15Å; I144-A162 HydrophobicContact CD1-CB 4.26Å; I144-A162 HydrophobicContact CG1-CB 4.48Å
145P94.6Very high92.9Very high86 Ų8691.7 Ų91.756%0.55847%0.474SS*.  trans-67.7109.1176.226.9-32.9000110H143 Y165H143-P145 WeakPolarHBondContact O-CD 3.38Å; P145-Y165 HydrophobicContact CG-CD1 4.4Å; P145-Y165 HydrophobicContact CG-CD2 3.75Å; P145-Y165 HydrophobicContact CG-CE1 4.32Å; P145-Y165 HydrophobicContact CG-CE2 3.68Å; P145-Y165 HydrophobicContact CG-CG 4.14Å
146T90.9Very high92.9Very high67 Ų6791.2 Ų91.241%0.41147%0.474SS..  trans-130.6168.4174.662.70000110.7I144 L153I144-T146 HydrophobicContact CG2-CG2 3.89Å; I144-T146 PolarHBondContact O-N 3.33Å; T146-L153 HydrophobicContact CG2-CD1 3.85Å; T146-L153 HydrophobicContact CG2-CG 4.41Å
147L86.9Confident92.8Very high127 Ų12791.1 Ų91.167%0.66546%0.464SS*.  trans-71.1144.8174.5-63.6172000110.5Y149 E150L147-Y149 PolarHBondContact O-N 3.38Å; L147-E150 HydrophobicContact CB-CB 4.21Å; L147-E150 PolarHBondContact N-OE2 2.92Å; L147-E150 VanDerWaalsContact O-CB 3.31Å; L147-E150 WeakPolarHBondContact O-CB 3.49Å; L147-E150 PolarHBondContact O-N 3.49Å
148P73.3Confident92.8Very high117 Ų11789.5 Ų89.576%0.7646%0.457SS*.THydrogen-bonded Turntrans-58.9-23.8-175.1-2532.7000115.4
149Y77.1Confident92.8Very high229 Ų22989.8 Ų89.890%0.89846%0.46SS*.THydrogen-bonded Turntrans-110.412.9-178.3-53.1-70.6000112.8L147L147-Y149 PolarHBondContact O-N 3.38Å
150E83Confident92.8Very high107 Ų10796.4 Ų96.450%0.548%0.475SS..PPolyproline II helixtrans-74147.3-179.7-157.7162.4-175.100111L147L147-E150 HydrophobicContact CB-CB 4.21Å; L147-E150 PolarHBondContact N-OE2 2.92Å; L147-E150 VanDerWaalsContact O-CB 3.31Å; L147-E150 WeakPolarHBondContact O-CB 3.49Å; L147-E150 PolarHBondContact O-N 3.49Å
151K88.4Confident92.8Very high184 Ų18497.3 Ų97.380%0.848%0.48SS*.PPolyproline II helixtrans-57.9143.3176.6-179.5179.2175.6177.10110L153K151-L153 PolarHBondContact O-N 3.18Å
152R91.8Very high92.9Very high182 Ų18296.2 Ų96.269%0.68748%0.478SS*.PPolyproline II helixtrans-50125.6172.2-70.5-175.974.4-164.14.6111E138E138-R152 IonicContact OE1-NH2 3.71Å; E138-R152 IonicContact OE2-CZ 3.83Å; E138-R152 IonicContact OE2-NE 3.09Å; E138-R152 IonicContact OE2-NH2 3.89Å; E138-R152 PolarHBondContact OE2-NH2 2.85Å
153L94.8Very high93Very high30 Ų3097 Ų9716%0.15747%0.474CS..PPolyproline II helixtrans-65.2140.3-179.6-64.4173.7000112R141 I144 T146 K151 T158 L161R141-L153 PolarHBondContact NE-O 2.83Å; R141-L153 VanDerWaalsContact NE-O 3.13Å; I144-L153 HydrophobicContact CB-CD1 4.47Å; I144-L153 HydrophobicContact CD1-CD1 4.1Å; I144-L153 HydrophobicContact CG2-CD1 4.07Å; T146-L153 HydrophobicContact CG2-CD1 3.85Å; T146-L153 HydrophobicContact CG2-CG 4.41Å; K151-L153 PolarHBondContact O-N 3.18Å; L153-T158 WeakPolarHBondContact CB-OG1 3.49Å; L153-L161 HydrophobicContact CD1-CD1 3.68Å; L153-L161 HydrophobicContact CD2-CD1 3.76Å; L153-L161 HydrophobicContact CG-CD1 4.37Å
154S97.3Very high93.1Very high54 Ų5492.3 Ų92.338%0.37846%0.463SS..PPolyproline II helixtrans-64.8161.1171.484.70000111V156 D157 T158S154-V156 VanDerWaalsContact C-N 3.26Å; S154-V156 PolarHBondContact O-N 3.46Å; S154-V156 PolarHBondContact OG-N 3.4Å; S154-D157 WeakPolarHBondContact CB-OD2 3.45Å; S154-D157 PolarHBondContact O-N 3.03Å; S154-D157 PolarHBondContact OG-N 3.27Å; S154-D157 VanDerWaalsContact OG-N 3.1Å; S154-D157 PolarHBondContact OG-OD2 2.96Å; S154-T158 WeakPolarHBondContact O-CB 3.29Å; S154-T158 PolarHBondContact O-N 3.01Å; S154-T158 PolarHBondContact O-OG1 2.99Å
155K97.9Very high93.2Very high104 Ų10495.7 Ų95.745%0.45248%0.475SS..Hα-helixtrans-58.2-39.5177.3-70.1-171.9176.4-172.10111.9N134 F137 L159N134-K155 PolarHBondContact OD1-NZ 3.5Å; F137-K155 HydrophobicContact CD1-CG 4.21Å; F137-K155 HydrophobicContact CE1-CB 3.79Å; F137-K155 HydrophobicContact CE1-CG 3.92Å; F137-K155 WeakPolarHBondContact CE1-O 3.4Å; F137-K155 HydrophobicContact CE2-CD 4.46Å; F137-K155 HydrophobicContact CZ-CB 3.91Å; F137-K155 HydrophobicContact CZ-CD 4.41Å; F137-K155 HydrophobicContact CZ-CG 4.1Å; K155-L159 WeakPolarHBondContact O-CG 2.93Å; K155-L159 PolarHBondContact O-N 2.92Å
156V98.3Very high93.3Very high80 Ų8096.9 Ų96.949%0.48548%0.476SS..Hα-helixtrans-69.5-45.3179.4175.40000111S154 L159 R160S154-V156 VanDerWaalsContact C-N 3.26Å; S154-V156 PolarHBondContact O-N 3.46Å; S154-V156 PolarHBondContact OG-N 3.4Å; V156-L159 PolarHBondContact O-N 3.37Å; V156-R160 HydrophobicContact CG1-CG 4.47Å; V156-R160 WeakPolarHBondContact O-CG 3.19Å; V156-R160 PolarHBondContact O-N 3.47Å
157D96.9Very high93.7Very high66 Ų6697.8 Ų97.835%0.35348%0.478SS..Hα-helixtrans-68.2-38.6-178.4-58.1-38.8000111.4S154 L159 R160 L161S154-D157 WeakPolarHBondContact CB-OD2 3.45Å; S154-D157 PolarHBondContact O-N 3.03Å; S154-D157 PolarHBondContact OG-N 3.27Å; S154-D157 VanDerWaalsContact OG-N 3.1Å; S154-D157 PolarHBondContact OG-OD2 2.96Å; D157-L159 VanDerWaalsContact C-N 3.31Å; D157-L159 PolarHBondContact O-N 3.04Å; D157-R160 PolarHBondContact O-N 3.02Å; D157-L161 WeakPolarHBondContact O-CB 3.48Å; D157-L161 WeakPolarHBondContact O-CG 3.43Å; D157-L161 PolarHBondContact O-N 3.5Å
158T98Very high94.1Very high0 Ų097.3 Ų97.30%047%0.471CS..Hα-helixtrans-54.2-48.2172.5-54.70000110.5F137 L140 R141 I144 L153 S154 A162F137-T158 HydrophobicContact CD1-CG2 3.97Å; F137-T158 HydrophobicContact CE1-CG2 4.06Å; L140-T158 HydrophobicContact CB-CG2 4.44Å; L140-T158 HydrophobicContact CD2-CG2 3.85Å; L140-T158 HydrophobicContact CG-CG2 3.96Å; R141-T158 HydrophobicContact CG-CG2 3.7Å; R141-T158 PolarHBondContact NE-OG1 2.99Å; I144-T158 HydrophobicContact CD1-CG2 3.57Å; I144-T158 VanDerWaalsContact CD1-O 3.24Å; I144-T158 WeakPolarHBondContact CD1-O 3.33Å; L153-T158 WeakPolarHBondContact CB-OG1 3.49Å; S154-T158 WeakPolarHBondContact O-CB 3.29Å; S154-T158 PolarHBondContact O-N 3.01Å; S154-T158 PolarHBondContact O-OG1 2.99Å; T158-A162 VanDerWaalsContact O-CB 3.26Å; T158-A162 WeakPolarHBondContact O-CB 3.34Å; T158-A162 PolarHBondContact O-N 3.35Å
159L98.6Very high95.2Very high86 Ų8694.9 Ų94.945%0.4545%0.451SS..Hα-helixtrans-66.4-42.4179.3-67.3175.1000112.4F137 L140 K155 V156 D157 I163F137-L159 HydrophobicContact CE1-CD2 4.37Å; F137-L159 HydrophobicContact CE1-CG 4.22Å; F137-L159 HydrophobicContact CZ-CD1 4.15Å; F137-L159 HydrophobicContact CZ-CD2 4.01Å; F137-L159 HydrophobicContact CZ-CG 3.95Å; L140-L159 HydrophobicContact CD2-CD2 4.28Å; K155-L159 WeakPolarHBondContact O-CG 2.93Å; K155-L159 PolarHBondContact O-N 2.92Å; V156-L159 PolarHBondContact O-N 3.37Å; D157-L159 VanDerWaalsContact C-N 3.31Å; D157-L159 PolarHBondContact O-N 3.04Å; L159-I163 WeakPolarHBondContact O-CD1 3.43Å; L159-I163 VanDerWaalsContact O-CG1 3.29Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 3.12Å; L159-I163 VanDerWaalsContact O-N 3.11Å
160R98Very high96.2Very high172 Ų17286 Ų8665%0.64943%0.425SS*.Hα-helixtrans-63.2-47.5178.7-73.4174.8174.5169.8-3.2111.9V156 D157 I163 G164V156-R160 HydrophobicContact CG1-CG 4.47Å; V156-R160 WeakPolarHBondContact O-CG 3.19Å; V156-R160 PolarHBondContact O-N 3.47Å; D157-R160 PolarHBondContact O-N 3.02Å; R160-I163 PolarHBondContact O-N 2.93Å; R160-G164 PolarHBondContact O-N 2.97Å
161L97.7Very high96.7Very high80 Ų8087 Ų8742%0.41943%0.43SS..Hα-helixtrans-66.4-39.8179.5-71.7172.4000111.5I144 L153 D157 I163 G164 Y165I144-L161 HydrophobicContact CD1-CB 4.22Å; I144-L161 HydrophobicContact CG2-CB 3.8Å; I144-L161 HydrophobicContact CG2-CD1 4.15Å; L153-L161 HydrophobicContact CD1-CD1 3.68Å; L153-L161 HydrophobicContact CD2-CD1 3.76Å; L153-L161 HydrophobicContact CG-CD1 4.37Å; D157-L161 WeakPolarHBondContact O-CB 3.48Å; D157-L161 WeakPolarHBondContact O-CG 3.43Å; D157-L161 PolarHBondContact O-N 3.5Å; L161-I163 PolarHBondContact O-N 3.1Å; L161-G164 PolarHBondContact O-N 2.9Å; L161-Y165 WeakPolarHBondContact O-CB 3.37Å; L161-Y165 PolarHBondContact O-N 3.32Å
162A98.5Very high97.1Very high11 Ų1181.6 Ų81.69%0.09141%0.409CS..Hα-helixtrans-59.7-45.8174.900000112.3L140 I144 T158 Y165 I166L140-A162 HydrophobicContact CD1-CB 3.92Å; L140-A162 HydrophobicContact CD2-CB 4.21Å; L140-A162 HydrophobicContact CG-CB 4.32Å; I144-A162 HydrophobicContact CD1-CB 4.26Å; I144-A162 HydrophobicContact CG1-CB 4.48Å; T158-A162 VanDerWaalsContact O-CB 3.26Å; T158-A162 WeakPolarHBondContact O-CB 3.34Å; T158-A162 PolarHBondContact O-N 3.35Å; A162-Y165 PolarHBondContact O-N 3.44Å; A162-I166 VanDerWaalsContact O-CG1 3.32Å; A162-I166 WeakPolarHBondContact O-CG1 3.41Å; A162-I166 PolarHBondContact O-N 2.8Å
163I98.4Very high97.2Very high106 Ų10677.5 Ų77.554%0.54440%0.404SS..Hα-helixtrans-60.8-47175.7-66.8164.1000110.5L159 R160 L161 Y165 I166 N167L159-I163 WeakPolarHBondContact O-CD1 3.43Å; L159-I163 VanDerWaalsContact O-CG1 3.29Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 3.12Å; L159-I163 VanDerWaalsContact O-N 3.11Å; R160-I163 PolarHBondContact O-N 2.93Å; L161-I163 PolarHBondContact O-N 3.1Å; I163-Y165 VanDerWaalsContact C-N 3.3Å; I163-Y165 PolarHBondContact O-N 2.91Å; I163-I166 PolarHBondContact O-N 3.34Å; I163-N167 PolarHBondContact O-N 3.07Å; I163-N167 VanDerWaalsContact O-N 3.1Å; I163-N167 PolarHBondContact O-ND2 2.94Å
164G97.9Very high97Very high39 Ų3982.7 Ų82.740%0.40243%0.428SS..Hα-helixtrans-59.5-41.1177.600000112.4R160 L161 N167 F168R160-G164 PolarHBondContact O-N 2.97Å; L161-G164 PolarHBondContact O-N 2.9Å; G164-N167 PolarHBondContact O-N 3.09Å; G164-F168 WeakPolarHBondContact O-CB 3.24Å; G164-F168 PolarHBondContact O-N 3.38Å
165Y98.1Very high96.6Very high82 Ų8284.1 Ų84.132%0.32244%0.438SS..Hα-helixtrans-70-40.4-179.4-172.5-132.7000112.5H143 P145 L161 A162 I163 N167 F168 L169H143-Y165 WeakPolarHBondContact O-CE1 3.47Å; P145-Y165 HydrophobicContact CG-CD1 4.4Å; P145-Y165 HydrophobicContact CG-CD2 3.75Å; P145-Y165 HydrophobicContact CG-CE1 4.32Å; P145-Y165 HydrophobicContact CG-CE2 3.68Å; P145-Y165 HydrophobicContact CG-CG 4.14Å; L161-Y165 WeakPolarHBondContact O-CB 3.37Å; L161-Y165 PolarHBondContact O-N 3.32Å; A162-Y165 PolarHBondContact O-N 3.44Å; I163-Y165 VanDerWaalsContact C-N 3.3Å; I163-Y165 PolarHBondContact O-N 2.91Å; Y165-N167 VanDerWaalsContact C-N 3.33Å; Y165-N167 PolarHBondContact O-N 3.3Å; Y165-F168 HydrophobicContact CD2-CD1 4.07Å; Y165-F168 HydrophobicContact CE2-CD1 4.11Å; Y165-F168 PolarHBondContact O-N 3.48Å; Y165-L169 HydrophobicContact CD1-CD1 4.17Å; Y165-L169 HydrophobicContact CD2-CD1 4.45Å; Y165-L169 HydrophobicContact CD2-CG 4.16Å; Y165-L169 HydrophobicContact CE1-CD1 3.74Å; Y165-L169 HydrophobicContact CE1-CG 4.42Å; Y165-L169 HydrophobicContact CE2-CD1 4.04Å; Y165-L169 HydrophobicContact CE2-CD2 3.84Å; Y165-L169 HydrophobicContact CE2-CG 3.81Å; Y165-L169 WeakPolarHBondContact O-CG 3.33Å; Y165-L169 PolarHBondContact O-N 2.92Å
166I98.2Very high95.6Very high111 Ų11184.9 Ų84.957%0.56945%0.447SS*.Hα-helixtrans-58.3-46.8172.7-68.6165.5000110.5A162 I163 L169 A170A162-I166 VanDerWaalsContact O-CG1 3.32Å; A162-I166 WeakPolarHBondContact O-CG1 3.41Å; A162-I166 PolarHBondContact O-N 2.8Å; I163-I166 PolarHBondContact O-N 3.34Å; I166-L169 PolarHBondContact O-N 3.39Å; I166-A170 WeakPolarHBondContact O-CB 3.13Å; I166-A170 PolarHBondContact O-N 3.23Å
167N97.9Very high93.9Very high86 Ų8687 Ų8746%0.4645%0.453SS..Hα-helixtrans-63.3-44.3178.9-67.5-19.1000111.7I163 G164 Y165 L169 A170 E171I163-N167 PolarHBondContact O-N 3.07Å; I163-N167 VanDerWaalsContact O-N 3.1Å; I163-N167 PolarHBondContact O-ND2 2.94Å; G164-N167 PolarHBondContact O-N 3.09Å; Y165-N167 VanDerWaalsContact C-N 3.33Å; Y165-N167 PolarHBondContact O-N 3.3Å; N167-L169 PolarHBondContact O-N 3.07Å; N167-A170 WeakPolarHBondContact O-CB 3.46Å; N167-A170 PolarHBondContact O-N 3.17Å; N167-E171 WeakPolarHBondContact O-CG 3.25Å; N167-E171 PolarHBondContact O-N 3.42Å
168F96.7Very high92Very high117 Ų11789 Ų8951%0.51347%0.469SS..Hα-helixtrans-57.9-47.7176.8170.8-102.9000112G164 Y165 A170 E171 L172G164-F168 WeakPolarHBondContact O-CB 3.24Å; G164-F168 PolarHBondContact O-N 3.38Å; Y165-F168 HydrophobicContact CD2-CD1 4.07Å; Y165-F168 HydrophobicContact CE2-CD1 4.11Å; Y165-F168 PolarHBondContact O-N 3.48Å; F168-A170 VanDerWaalsContact C-N 3.32Å; F168-A170 PolarHBondContact O-N 2.96Å; F168-E171 PolarHBondContact O-N 3.47Å; F168-L172 HydrophobicContact CE1-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.41Å; F168-L172 PolarHBondContact O-N 3.08Å
169L96.6Very high90Very high66 Ų6695.4 Ų95.435%0.34650%0.502SS..Hα-helixtrans-64.4-38.2176.6-67.9178.8000111.8Y165 I166 N167 L172 V173Y165-L169 HydrophobicContact CD1-CD1 4.17Å; Y165-L169 HydrophobicContact CD2-CD1 4.45Å; Y165-L169 HydrophobicContact CD2-CG 4.16Å; Y165-L169 HydrophobicContact CE1-CD1 3.74Å; Y165-L169 HydrophobicContact CE1-CG 4.42Å; Y165-L169 HydrophobicContact CE2-CD1 4.04Å; Y165-L169 HydrophobicContact CE2-CD2 3.84Å; Y165-L169 HydrophobicContact CE2-CG 3.81Å; Y165-L169 WeakPolarHBondContact O-CG 3.33Å; Y165-L169 PolarHBondContact O-N 2.92Å; I166-L169 PolarHBondContact O-N 3.39Å; N167-L169 PolarHBondContact O-N 3.07Å; L169-L172 PolarHBondContact O-N 3.22Å; L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 3.43Å
170A96.4Very high87.9Confident42 Ų42102.4 Ų102.435%0.34752%0.523SS..Hα-helixtrans-64.7-40.9177.500000112.2I166 N167 F168 Q174I166-A170 WeakPolarHBondContact O-CB 3.13Å; I166-A170 PolarHBondContact O-N 3.23Å; N167-A170 WeakPolarHBondContact O-CB 3.46Å; N167-A170 PolarHBondContact O-N 3.17Å; F168-A170 VanDerWaalsContact C-N 3.32Å; F168-A170 PolarHBondContact O-N 2.96Å; A170-Q174 VanDerWaalsContact O-CG 3.25Å; A170-Q174 WeakPolarHBondContact O-CG 3.35Å; A170-Q174 PolarHBondContact O-N 3Å; A170-Q174 VanDerWaalsContact O-N 3.16Å; A170-Q174 PolarHBondContact O-NE2 2.98Å
171E95.2Very high85.6Confident129 Ų129100.4 Ų100.460%0.60353%0.525SS*.Hα-helixtrans-66.6-44.9175.2-73.8174.8-160.500111.5N167 F168 V173 Q174 S175N167-E171 WeakPolarHBondContact O-CG 3.25Å; N167-E171 PolarHBondContact O-N 3.42Å; F168-E171 PolarHBondContact O-N 3.47Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.91Å; E171-Q174 WeakPolarHBondContact O-CB 3.38Å; E171-Q174 PolarHBondContact O-N 2.93Å; E171-Q174 VanDerWaalsContact O-N 3.09Å; E171-S175 PolarHBondContact O-N 3.18Å; E171-S175 PolarHBondContact O-OG 2.95Å
172L95.2Very high83.1Confident71 Ų71101.8 Ų101.837%0.37254%0.541SS..Hα-helixtrans-58.4-45177.8-177.864.3000111.8F168 L169 Q174 S175 D176F168-L172 HydrophobicContact CE1-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.41Å; F168-L172 PolarHBondContact O-N 3.08Å; L169-L172 PolarHBondContact O-N 3.22Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.15Å; L172-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-OG 3.31Å; L172-D176 WeakPolarHBondContact O-CB 3.28Å; L172-D176 PolarHBondContact O-N 2.92Å
173V94.9Very high80.8Confident95 Ų95108.3 Ų108.358%0.57658%0.575SS**Hα-helixtrans-65.4-35.1176.6171.20000111.8L169 E171 M177L169-V173 VanDerWaalsContact O-CG2 3.28Å; L169-V173 WeakPolarHBondContact O-CG2 3.47Å; L169-V173 PolarHBondContact O-N 3.43Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.91Å; V173-M177 WeakPolarHBondContact O-CG 3.3Å; V173-M177 PolarHBondContact O-N 3.3Å
174Q91.3Very high78.3Confident139 Ų139108.8 Ų108.865%0.6559%0.587SS**Hα-helixtrans-70.9-37.5176.8-75.7166.565.400112.4A170 E171 L172A170-Q174 VanDerWaalsContact O-CG 3.25Å; A170-Q174 WeakPolarHBondContact O-CG 3.35Å; A170-Q174 PolarHBondContact O-N 3Å; A170-Q174 VanDerWaalsContact O-N 3.16Å; A170-Q174 PolarHBondContact O-NE2 2.98Å; E171-Q174 WeakPolarHBondContact O-CB 3.38Å; E171-Q174 PolarHBondContact O-N 2.93Å; E171-Q174 VanDerWaalsContact O-N 3.09Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.15Å
175S87.3Confident76Confident85 Ų85116.4 Ų116.459%0.59461%0.612SS**Hα-helixtrans-71.6-33.417760.10000113E171 L172 M177E171-S175 PolarHBondContact O-N 3.18Å; E171-S175 PolarHBondContact O-OG 2.95Å; L172-S175 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-OG 3.31Å; S175-M177 VanDerWaalsContact C-N 3.32Å
176D76.6Confident73.6Confident120 Ų120116 Ų11664%0.64263%0.627SS**Hα-helixtrans-81.2-10.9-179.1-73.3-7.2000113.2L172 P178L172-D176 WeakPolarHBondContact O-CB 3.28Å; L172-D176 PolarHBondContact O-N 2.92Å; D176-P178 WeakPolarHBondContact O-CD 3.42Å
177M63.8Low71.2Confident124 Ų124116.5 Ų116.561%0.61164%0.637SS**SBendtrans-77.9118.1171.2-82.4-68.5-74.200109.9V173 S175 I179V173-M177 WeakPolarHBondContact O-CG 3.3Å; V173-M177 PolarHBondContact O-N 3.3Å; S175-M177 VanDerWaalsContact C-N 3.32Å; M177-I179 PolarHBondContact O-N 3.31Å
178P56Low68.8Low108 Ų108118.7 Ų118.770%0.70165%0.654SS**  trans-61.8113.7174.125-31.2000108.3D176 R180D176-P178 WeakPolarHBondContact O-CD 3.42Å; P178-R180 PolarHBondContact O-N 3.11Å
179I56.3Low66.7Low135 Ų135120.7 Ų120.769%0.69267%0.665SS**  trans-15.693.4170.4-56.2174.8000112.1M177 N181M177-I179 PolarHBondContact O-N 3.31Å; I179-N181 HydrophobicContact CG2-CB 4.2Å; I179-N181 WeakPolarHBondContact CG2-OD1 3.45Å; I179-N181 PolarHBondContact O-N 2.98Å
180R54.5Low64.3Low232 Ų232122.8 Ų122.888%0.87568%0.682SS**  trans-8288.9147.4-71.7-165.574.3-1721.8105.4P178 S182P178-R180 PolarHBondContact O-N 3.11Å; R180-S182 PolarHBondContact O-N 3.34Å; R180-S182 VanDerWaalsContact O-N 3.16Å
181N49.4Very low62.2Low131 Ų131129.9 Ų129.970%0.70171%0.705SS**  trans-41.8118.9171-77.9-43.8000110.1I179I179-N181 HydrophobicContact CG2-CB 4.2Å; I179-N181 WeakPolarHBondContact CG2-OD1 3.45Å; I179-N181 PolarHBondContact O-N 2.98Å
182S46.5Very low59.9Low108 Ų108132.8 Ų132.876%0.75572%0.715SS**  trans-14091.6147.756.20000106.4R180 S184R180-S182 PolarHBondContact O-N 3.34Å; R180-S182 VanDerWaalsContact O-N 3.16Å; S182-S184 PolarHBondContact O-N 3Å
183D49.3Very low57.8Low148 Ų148134.9 Ų134.979%0.79173%0.731SS**  trans-45.5111.8161.1-67.4-52000109
184S46.8Very low55.8Low116 Ų116137.1 Ų137.181%0.81174%0.738SS**  trans-163.175.8156.3-79.70000107.8S182 A186S182-S184 PolarHBondContact O-N 3Å; S184-A186 PolarHBondContact O-N 3.11Å
185E49Very low53.6Low199 Ų199136.2 Ų136.293%0.9374%0.737SS**  trans-49.3111.1157.4-171-180-177.300109.8
186A48.2Very low51.5Low75 Ų75137.4 Ų137.462%0.6274%0.744SS**  trans-148.2119.9159.600000108.8S184 T188S184-A186 PolarHBondContact O-N 3.11Å; A186-T188 PolarHBondContact O-N 3.31Å
187P47.5Very low49.9Very low121 Ų121139.6 Ų139.679%0.78675%0.75SS**  trans-68.7105.7174.427-30.1000108.3Q189P187-Q189 PolarHBondContact O-N 2.83Å
188T46.9Very low48.8Very low132 Ų132145.4 Ų145.481%0.8177%0.765SS**  trans-66.395.2173.343.20000109.2A186A186-T188 PolarHBondContact O-N 3.31Å
189Q52.3Low48.3Very low159 Ų159143.8 Ų143.874%0.74377%0.768SS**  trans-48.9138.5161-70.5-80.8-16.600109.1P187 K191P187-Q189 PolarHBondContact O-N 2.83Å; Q189-K191 PolarHBondContact O-N 3.14Å
190P47.3Very low48.1Very low109 Ų109144.2 Ų144.271%0.70878%0.777SS**  trans-62.3105.8174.225.6-32.1000108.4K192P190-K192 PolarHBondContact O-N 2.82Å
191K51Low48Very low192 Ų192143 Ų14384%0.83577%0.772SS**  trans-63101.3175.2-70.3176.8-178.4173.10107.8Q189 V193Q189-K191 PolarHBondContact O-N 3.14Å; K191-V193 PolarHBondContact O-N 2.89Å
192K46.9Very low48.3Very low189 Ų189141.4 Ų141.482%0.82277%0.772SS**  trans-66.798.5167.4-65.2179.7-176.3177.90107.2P190 I194P190-K192 PolarHBondContact O-N 2.82Å; K192-I194 PolarHBondContact O-N 3.23Å
193V52.3Low48.8Very low116 Ų116140.6 Ų140.670%0.70376%0.764SS**  trans-75102.9172.3-174.70000107K191 I195K191-V193 PolarHBondContact O-N 2.89Å; V193-I195 HydrophobicContact CG1-CD1 4.27Å; V193-I195 HydrophobicContact CG1-CG1 3.6Å; V193-I195 PolarHBondContact O-N 2.94Å
194I52.8Low49.3Very low142 Ų142135.2 Ų135.273%0.72874%0.738SS**  trans-84.999.9167.7-54.9-178.8000106.5K192 C196K192-I194 PolarHBondContact O-N 3.23Å; I194-C196 VanDerWaalsContact CG2-SG 3.53Å; I194-C196 PolarHBondContact O-N 2.72Å
195I45.5Very low50.1Low120 Ų120134.8 Ų134.862%0.61573%0.733SS**  trans-8295172.3-54-179.6000107.6V193 H197V193-I195 HydrophobicContact CG1-CD1 4.27Å; V193-I195 HydrophobicContact CG1-CG1 3.6Å; V193-I195 PolarHBondContact O-N 2.94Å; I195-H197 WeakPolarHBondContact CG2-NE2 3.32Å
196C41.8Very low50.8Low110 Ų110130 Ų13074%0.74372%0.721SS**  trans-90115.9166.8-64.90000108.9I194I194-C196 VanDerWaalsContact CG2-SG 3.53Å; I194-C196 PolarHBondContact O-N 2.72Å
197H44.7Very low51.7Low165 Ų165130 Ų13076%0.76471%0.71SS**  trans-99.4126168.8-72.4-55.2000110.3I195I195-H197 WeakPolarHBondContact CG2-NE2 3.32Å
198R39Very low52.8Low246 Ų246130.1 Ų130.193%0.92871%0.711SS**SBendtrans99.8127.4167.5-56.5175.279.892.7-2.3116.1
199G46.6Very low53.3Low74 Ų74129.4 Ų129.476%0.76370%0.703SS**  trans9599.4153.900000114.4R201G199-R201 PolarHBondContact O-N 2.74Å
200T51.8Low53.6Low145 Ų145128.3 Ų128.389%0.8969%0.693SS**  trans-62.592.7174.149.40000112.5
201R52.5Low54.4Low205 Ų205126.6 Ų126.677%0.77470%0.695SS**  trans-172.5134.3143-119.8174.5172.8-92.9-0.1110.3G199G199-R201 PolarHBondContact O-N 2.74Å
202S55.2Low54.8Low98 Ų98123.4 Ų123.469%0.68569%0.686SS**PPolyproline II helixtrans-61.5130.3162.145.40000108.8S204S202-S204 PolarHBondContact O-N 3.11Å
203P57.3Low55.1Low92 Ų92119.5 Ų119.560%0.59768%0.68SS**PPolyproline II helixtrans-61130.1179.925.2-32.6000109.4Y210P203-Y210 HydrophobicContact CB-CD2 3.89Å; P203-Y210 HydrophobicContact CB-CE2 3.91Å; P203-Y210 HydrophobicContact CG-CE2 4.24Å; P203-Y210 WeakPolarHBondContact O-CE2 3.16Å
204S60.5Low55.2Low35 Ų35119.9 Ų119.925%0.24569%0.685CS.*PPolyproline II helixtrans-92.1146.6178.4-174.20000108.9S202 S206 D207 Y210S202-S204 PolarHBondContact O-N 3.11Å; S204-S206 PolarHBondContact O-N 3.47Å; S204-S206 PolarHBondContact OG-OG 2.81Å; S204-D207 PolarHBondContact N-OD2 3.21Å; S204-D207 PolarHBondContact O-N 2.65Å; S204-Y210 WeakPolarHBondContact O-CD2 3.1Å
205P63.5Low55.2Low107 Ų107121.5 Ų121.570%0.69569%0.694SS**THydrogen-bonded Turntrans-59.1-4.7173.4-20.631.5000114.7
206S63.1Low55.4Low99 Ų99119.7 Ų119.769%0.69270%0.697SS**THydrogen-bonded Turntrans-93.2-11.7179.4-18.80000113.3S204S204-S206 PolarHBondContact O-N 3.47Å; S204-S206 PolarHBondContact OG-OG 2.81Å
207D67.8Low55.5Low73 Ų73117.6 Ų117.639%0.3969%0.694SS.*SBendtrans-77.4134.2-177.4-65.9-38.5000109.6S204 D209 Y210S204-D207 PolarHBondContact N-OD2 3.21Å; S204-D207 PolarHBondContact O-N 2.65Å; D207-D209 PolarHBondContact O-N 3.45Å; D207-Y210 WeakPolarHBondContact O-CB 3.33Å; D207-Y210 PolarHBondContact O-N 3.01Å
208P69.2Low55.7Low124 Ų124118.6 Ų118.681%0.80570%0.698SS**THydrogen-bonded Turntrans-62.1-14.7-177.523.4-32.1000113.7
209D57.6Low55.8Low118 Ų118111 Ų11163%0.63168%0.683SS**THydrogen-bonded Turntrans-104.611.7-179-55.1-36.4000113.1D207 G211 L212D207-D209 PolarHBondContact O-N 3.45Å; D209-G211 PolarHBondContact O-N 2.97Å; D209-L212 PolarHBondContact O-N 2.91Å
210Y60.3Low55.8Low136 Ų136115.6 Ų115.653%0.53369%0.689SS.*THydrogen-bonded Turntrans-68.7104.6-179.9-162.2-93000111.2P203 S204 D207P203-Y210 HydrophobicContact CB-CD2 3.89Å; P203-Y210 HydrophobicContact CB-CE2 3.91Å; P203-Y210 HydrophobicContact CG-CE2 4.24Å; P203-Y210 WeakPolarHBondContact O-CE2 3.16Å; S204-Y210 WeakPolarHBondContact O-CD2 3.1Å; D207-Y210 WeakPolarHBondContact O-CB 3.33Å; D207-Y210 PolarHBondContact O-N 3.01Å
211G62.2Low55.6Low73 Ų73112.6 Ų112.675%0.75367%0.674SS**THydrogen-bonded Turntrans115.5-0.9177.100000115.4D209D209-G211 PolarHBondContact O-N 2.97Å
212L60.6Low55Low125 Ų125114.3 Ų114.365%0.65468%0.681SS**  trans-82.7135.1172.4-64.2178000110.7D209D209-L212 PolarHBondContact O-N 2.91Å
213P53.4Low55Low106 Ų106114.7 Ų114.769%0.68868%0.679SS**  trans-62.7141.9174.925.6-31.8000109.5L215P213-L215 PolarHBondContact O-N 2.84Å
214P53.6Low54.6Low125 Ų125115.9 Ų115.981%0.81268%0.681SS**  trans-58115.5178.2-16.527.7000108A216P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 2.75Å
215L54.2Low54.3Low176 Ų176122.5 Ų122.592%0.92171%0.708SS**  trans-60100.4168.4-78.8158.1000106P213 G217P213-L215 PolarHBondContact O-N 2.84Å; L215-G217 VanDerWaalsContact C-N 3.35Å; L215-G217 PolarHBondContact O-N 2.91Å
216A48.3Very low53.7Low81 Ų81126.7 Ų126.767%0.66972%0.715SS**  trans-52.6102.5173.800000107.6P214 H218P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 2.75Å; A216-H218 PolarHBondContact O-N 3.38Å
217G44.6Very low53Low66 Ų66127.7 Ų127.768%0.6871%0.709SS**  trans-67.981.6173.700000109.2L215 S219L215-G217 VanDerWaalsContact C-N 3.35Å; L215-G217 PolarHBondContact O-N 2.91Å; G217-S219 PolarHBondContact O-N 2.92Å
218H48.8Very low52.3Low186 Ų186130.5 Ų130.586%0.86172%0.723SS**  trans-84.276.1156.2-72.8-14.1000107.8A216A216-H218 PolarHBondContact O-N 3.38Å
219S40.9Very low51.6Low87 Ų87133.9 Ų133.961%0.60873%0.725SS**  trans-123.185.4172.5420000109.8G217 S221G217-S219 PolarHBondContact O-N 2.92Å; S219-S221 PolarHBondContact O-N 2.96Å; S219-S221 VanDerWaalsContact O-N 3.11Å
220L46.5Very low51.4Low170 Ų170134.6 Ų134.689%0.8973%0.729SS**  trans-77.370.2153.3-68.2177.8000108.2
221S48.2Very low51.1Low82 Ų82135.8 Ų135.857%0.57374%0.739SS**  trans-106.2100.1170.450.80000108.6S219 T223S219-S221 PolarHBondContact O-N 2.96Å; S219-S221 VanDerWaalsContact O-N 3.11Å; S221-T223 PolarHBondContact O-N 2.8Å
222W40.4Very low51Low242 Ų242139.9 Ų139.992%0.91774%0.744SS**  trans-80.6105.7165.1-64.797000108.1
223T54.9Low51Low106 Ų106138.4 Ų138.465%0.6574%0.736SS**  trans-111.6114.8164.650.80000108.3S221 E225S221-T223 PolarHBondContact O-N 2.8Å; T223-E225 PolarHBondContact O-N 3.09Å
224D48.8Very low51.8Low117 Ų117139.9 Ų139.963%0.62674%0.737SS**  trans-70.1107.4171.6-174-0.4000108.5K226 Q227D224-K226 PolarHBondContact O-N 3.37Å; D224-K226 VanDerWaalsContact O-N 3.11Å; D224-K226 PolarHBondContact OD1-N 3.06Å; D224-Q227 PolarHBondContact O-N 3.39Å
225E53Low52.4Low174 Ų174142.7 Ų142.781%0.81373%0.731SS**G310 helixtrans-61.8-17.8-172.6-158.6178.2176.600112.7T223 Q227T223-E225 PolarHBondContact O-N 3.09Å; E225-Q227 VanDerWaalsContact C-N 3.34Å; E225-Q227 PolarHBondContact O-N 3.14Å
226K50.8Low53.2Low194 Ų194140.7 Ų140.784%0.84373%0.726SS**G310 helixtrans-79.7-6.2-175.7-64.6-166-178.9-163.20115.3D224D224-K226 PolarHBondContact O-N 3.37Å; D224-K226 VanDerWaalsContact O-N 3.11Å; D224-K226 PolarHBondContact OD1-N 3.06Å
227Q49.7Very low54.3Low120 Ų120141 Ų14156%0.56173%0.729SS**G310 helixtrans-104.5-3.7179.2-82.2-157.3-6.400115.7D224 E225 K229D224-Q227 PolarHBondContact O-N 3.39Å; E225-Q227 VanDerWaalsContact C-N 3.34Å; E225-Q227 PolarHBondContact O-N 3.14Å; Q227-K229 VanDerWaalsContact C-N 3.33Å; Q227-K229 PolarHBondContact O-N 3.39Å
228L51.6Low55.2Low132 Ų132148 Ų14869%0.69174%0.741SS**THydrogen-bonded Turntrans-840.5-171.3-101.8150.1000115.4
229K55.3Low56.7Low196 Ų196145 Ų14585%0.85274%0.735SS**THydrogen-bonded Turntrans-78.3-26.1178.2-89.2-175.5174.7-171.40114.1Q227Q227-K229 VanDerWaalsContact C-N 3.33Å; Q227-K229 PolarHBondContact O-N 3.39Å
230D54Low58.1Low133 Ų133151 Ų15171%0.71174%0.744SS**SBendtrans-135.2110.3-179.6-62.9-49000110.4
231Q52.5Low59.6Low161 Ų161148 Ų14875%0.75273%0.734SS**  trans106.7125.9165.1-50.4-157.68.900116.8I233Q231-I233 HydrophobicContact CB-CD1 4.41Å; Q231-I233 HydrophobicContact CB-CG1 3.95Å; Q231-I233 PolarHBondContact O-N 3.06Å
232N60.8Low60.6Low158 Ų158148.4 Ų148.485%0.84573%0.734SS**  trans-68.671.1170.4-157.643.6000109.6I234N232-I234 PolarHBondContact O-N 3.19Å
233I61.1Low62.2Low94 Ų94145.5 Ų145.548%0.48273%0.731SS.*  trans-84.397.5-179.8-57.5172.7000108.3Q231 R235Q231-I233 HydrophobicContact CB-CD1 4.41Å; Q231-I233 HydrophobicContact CB-CG1 3.95Å; Q231-I233 PolarHBondContact O-N 3.06Å; I233-R235 HydrophobicContact CG2-CG 3.82Å; I233-R235 PolarHBondContact O-N 3Å; I233-R235 VanDerWaalsContact O-N 3.12Å
234I70.7Confident63.1Low138 Ų138143.2 Ų143.271%0.70872%0.715SS**  trans-68.5108.3168.6-57.9175000107.8N232 T236N232-I234 PolarHBondContact O-N 3.19Å; I234-T236 HydrophobicContact CG2-CG2 4.29Å
235R64.6Low63.9Low183 Ų183143.8 Ų143.869%0.69173%0.725SS**  trans-99.4107.8170.5-64.3-171.9179.1154.64.2108.8I233I233-R235 HydrophobicContact CG2-CG 3.82Å; I233-R235 PolarHBondContact O-N 3Å; I233-R235 VanDerWaalsContact O-N 3.12Å
236T72.6Confident64.7Low134 Ų134145 Ų14582%0.82272%0.722SS**  trans-87.8119.9172.636.10000110I234I234-T236 HydrophobicContact CG2-CG2 4.29Å
237A69.9Low65.3Low89 Ų89144 Ų14474%0.73672%0.718SS**  trans-92.6136.5171.300000109.7V239A237-V239 PolarHBondContact O-N 3.32Å
238K64.2Low65.5Low212 Ų212145.2 Ų145.292%0.92273%0.727SS**  trans-74.9105.4168-77.1-174.7168.5-179.40108.2W240K238-W240 PolarHBondContact O-N 3.39Å
239V80.8Confident65.7Low123 Ų123146.2 Ų146.275%0.74573%0.728SS**  trans-69.9117.1168.6-178.90000107A237 T241A237-V239 PolarHBondContact O-N 3.32Å; V239-T241 HydrophobicContact CG1-CG2 4.2Å; V239-T241 PolarHBondContact O-N 3.41Å
240W69.1Low65.6Low212 Ų212144.5 Ų144.580%0.80373%0.725SS**  trans-80112.4171.4-176.882.9000108.4K238 P242K238-W240 PolarHBondContact O-N 3.39Å; W240-P242 HydrophobicContact CE3-CG 4.13Å; W240-P242 HydrophobicContact CH2-CB 3.58Å; W240-P242 HydrophobicContact CH2-CG 3.75Å; W240-P242 HydrophobicContact CZ2-CB 4.18Å; W240-P242 HydrophobicContact CZ3-CB 3.86Å; W240-P242 HydrophobicContact CZ3-CG 3.45Å; W240-P242 VanDerWaalsContact CZ3-CG 3.45Å
241T77.8Confident65.4Low108 Ų108147.2 Ų147.266%0.66373%0.73SS**PPolyproline II helixtrans-102.5120169.550.90000108V239 E243V239-T241 HydrophobicContact CG1-CG2 4.2Å; V239-T241 PolarHBondContact O-N 3.41Å; T241-E243 PolarHBondContact O-N 3.09Å
242P70.8Confident65Low90 Ų90145.7 Ų145.758%0.58473%0.734SS**PPolyproline II helixtrans-54.9135.8175-56.8000110.4W240 D244W240-P242 HydrophobicContact CE3-CG 4.13Å; W240-P242 HydrophobicContact CH2-CB 3.58Å; W240-P242 HydrophobicContact CH2-CG 3.75Å; W240-P242 HydrophobicContact CZ2-CB 4.18Å; W240-P242 HydrophobicContact CZ3-CB 3.86Å; W240-P242 HydrophobicContact CZ3-CG 3.45Å; W240-P242 VanDerWaalsContact CZ3-CG 3.45Å; P242-D244 PolarHBondContact O-N 3.05Å
243E73.3Confident64.1Low182 Ų182143 Ų14385%0.8573%0.728SS**PPolyproline II helixtrans-70123.3178.4-166.6160-164.200109.5T241 P245T241-E243 PolarHBondContact O-N 3.09Å; E243-P245 VanDerWaalsContact O-CD 3.31Å; E243-P245 WeakPolarHBondContact O-CD 3.31Å
244D73.3Confident63.6Low58 Ų58146.4 Ų146.431%0.3175%0.746SS.*  trans-72.7116178.7-173.3-23.8000108.7P242 R246 K247P242-D244 PolarHBondContact O-N 3.05Å; D244-R246 PolarHBondContact O-N 2.91Å; D244-R246 WeakPolarHBondContact OD1-CB 3.43Å; D244-R246 IonicContact OD1-CZ 2.73Å; D244-R246 PolarHBondContact OD1-N 3.37Å; D244-R246 IonicContact OD1-NE 2.95Å; D244-R246 PolarHBondContact OD1-NE 3.12Å; D244-R246 VanDerWaalsContact OD1-NE 3.14Å; D244-R246 IonicContact OD1-NH2 3.25Å; D244-R246 IonicContact OD2-CZ 2.79Å; D244-R246 IonicContact OD2-NE 2.84Å; D244-R246 IonicContact OD2-NH2 3.46Å; D244-R246 PolarHBondContact OD2-NH2 2.84Å; D244-R246 VanDerWaalsContact OD2-NH2 3.09Å; D244-K247 HydrophobicContact CB-CG 4.37Å; D244-K247 PolarHBondContact O-N 3.22Å; D244-K247 VanDerWaalsContact O-N 3.09Å
245P66.5Low62.3Low128 Ų128147.2 Ų147.283%0.83175%0.752SS**THydrogen-bonded Turntrans-64.4-3.5-176.126.3-34.8000114E243E243-P245 VanDerWaalsContact O-CD 3.31Å; E243-P245 WeakPolarHBondContact O-CD 3.31Å
246R68.9Low61.5Low200 Ų200146 Ų14676%0.75576%0.759SS**THydrogen-bonded Turntrans-96.1-3.4177-62.2172.8-67.31693114.1D244 L248D244-R246 PolarHBondContact O-N 2.91Å; D244-R246 WeakPolarHBondContact OD1-CB 3.43Å; D244-R246 IonicContact OD1-CZ 2.73Å; D244-R246 PolarHBondContact OD1-N 3.37Å; D244-R246 IonicContact OD1-NE 2.95Å; D244-R246 PolarHBondContact OD1-NE 3.12Å; D244-R246 VanDerWaalsContact OD1-NE 3.14Å; D244-R246 IonicContact OD1-NH2 3.25Å; D244-R246 IonicContact OD2-CZ 2.79Å; D244-R246 IonicContact OD2-NE 2.84Å; D244-R246 IonicContact OD2-NH2 3.46Å; D244-R246 PolarHBondContact OD2-NH2 2.84Å; D244-R246 VanDerWaalsContact OD2-NH2 3.09Å; R246-L248 PolarHBondContact O-N 2.84Å
247K64.3Low60.5Low174 Ų174147.3 Ų147.376%0.75776%0.76SS**  trans-80.7102.4176.5-74.2-171178.5-175.90110.4D244D244-K247 HydrophobicContact CB-CG 4.37Å; D244-K247 PolarHBondContact O-N 3.22Å; D244-K247 VanDerWaalsContact O-N 3.09Å
248L54.3Low59.5Low144 Ų144151.4 Ų151.475%0.75476%0.763SS**  trans-59.1138.1169-67.2171.9000110.5R246 M250R246-L248 PolarHBondContact O-N 2.84Å; L248-M250 PolarHBondContact O-N 3.26Å
249H55.9Low58.2Low154 Ų154149.2 Ų149.271%0.71376%0.762SS**  trans-62.175-172.157.974.4000114.8K251H249-K251 PolarHBondContact O-N 3.28Å
250M52.4Low56.7Low159 Ų159152.1 Ų152.178%0.78377%0.767SS**  trans-82.5107.2165.9-65-61.5116.100108.9L248L248-M250 PolarHBondContact O-N 3.26Å
251K49Very low55.6Low190 Ų190146.4 Ų146.483%0.82676%0.757SS**  trans-48.7133.3176-65174.2178175.80110H249 S253H249-K251 PolarHBondContact O-N 3.28Å; K251-S253 PolarHBondContact O-N 3.48Å
252P45.2Very low54.8Low129 Ų129146.7 Ų146.784%0.83876%0.761SS**  trans-77.3110.1176.829.3-29.2000109.3L254P252-L254 PolarHBondContact O-N 3.19Å
253S40.6Very low53.6Low101 Ų101152 Ų15271%0.70678%0.775SS**  trans-65.7125.3158.346.20000108.4K251 N255K251-S253 PolarHBondContact O-N 3.48Å; S253-N255 PolarHBondContact O-N 2.96Å
254L51.7Low52.4Low167 Ų167148 Ų14887%0.87477%0.767SS**  trans-49.3102.2167.8-79.2163.6000110.2P252P252-L254 PolarHBondContact O-N 3.19Å
255N42.6Very low50.9Low154 Ų154152.8 Ų152.882%0.82479%0.792SS**  trans-137.281.6158.6-80.2-22.7000106.7S253S253-N255 PolarHBondContact O-N 2.96Å
256N47.5Very low49.9Very low158 Ų158156.4 Ų156.485%0.84581%0.812SS**  trans-118.970.9171.1-14911.2000106.2
257I51.9Low49Very low162 Ų162154.3 Ų154.383%0.83182%0.815SS**  trans-148.799168.7-92.3126.8000105.7
258E49.9Very low48.2Very low174 Ų174153.2 Ų153.281%0.81382%0.818SS**  trans-177.5109.1136.2-110.6178.5159.900106.8
259N37.2Very low47.8Very low167 Ų167153.7 Ų153.789%0.89382%0.822SS**  trans178.570.9144.4-84.5-36.3000108.1
260E47.9Very low47.3Very low184 Ų184153.7 Ų153.786%0.8683%0.828SS**PPolyproline II helixtrans-91130.9162.4-92.8-78.2150.600108.5
261P47.4Very low47Very low91 Ų91153.4 Ų153.459%0.59183%0.831SS**PPolyproline II helixtrans-89.1148.4164.134.4-28.5000111
262P60.6Low46.9Very low114 Ų114150.9 Ų150.974%0.7483%0.831SS**PPolyproline II helixtrans-89.3129.7-171.634.2-29.8000111.1
263F45.6Very low47Very low201 Ų201152.5 Ų152.588%0.88283%0.831SS**  trans-138.2116.9154-73.4-71.1000111.8
264S47.6Very low47.5Very low98 Ų98156.5 Ų156.569%0.68584%0.841SS**  trans-72.3168168.351.90000113.3
265L40.8Very low47.1Very low159 Ų159155.6 Ų155.683%0.83284%0.838SS**  trans90.6123.5167.6-57.4156.4000112.9
266T46.7Very low47.6Very low205 Ų205155.7 Ų155.7100%1.25884%0.839SS**  cis-154.8025.5-34.30000109.3

Retrieved 266 of 266 residues in 87.8 ms (Link to these results)