A0AA82N2W1_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N2W1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M51.8Low57.7Low113 Ų11365.5 Ų65.556%0.55736%0.362SS*.  0-45.60-87.2-70.5-131.900114.8L79M1-L79 HydrophobicContact CE-CD1 4.42Å; M1-L79 HydrophobicContact CE-CD2 3.76Å
2R47.6Very low57.8Low97 Ų9772.2 Ų72.237%0.36639%0.388SS..Hα-helixtrans-62-43.1179.1-117.6-167.2-171.8-174.10.3114.1L4 L5 T6 H58 L59R2-L4 VanDerWaalsContact C-N 3.3Å; R2-L4 PolarHBondContact O-N 3.13Å; R2-L5 CarbonylContact O-C 3.59Å; R2-L5 PolarHBondContact O-N 2.72Å; R2-T6 HydrophobicContact CG-CG2 4.42Å; R2-T6 PolarHBondContact O-N 2.6Å; R2-T6 PolarHBondContact O-OG1 3.24Å; R2-T6 VanDerWaalsContact O-OG1 3.05Å; R2-H58 PolarHBondContact NE-O 3.24Å; R2-H58 PolarHBondContact NH2-O 2.81Å; R2-L59 HydrophobicContact CB-CD2 4.05Å; R2-L59 HydrophobicContact CG-CD2 3.38Å; R2-L59 HydrophobicContact CG-CG 4.23Å
3L51.9Low57.8Low22 Ų2275.3 Ų75.312%0.11540%0.403CS..Hα-helixtrans-61.4-37.7-177.1-138.178.7000112.8L5 E8 L117 C121L3-L5 PolarHBondContact O-N 3.3Å; L3-E8 WeakPolarHBondContact CD1-O 3.43Å; L3-L117 HydrophobicContact CD1-CD1 4.3Å; L3-L117 HydrophobicContact CD2-CB 3.91Å; L3-L117 HydrophobicContact CD2-CD2 4.08Å; L3-L117 HydrophobicContact CD2-CG 4.4Å; L3-L117 HydrophobicContact CG-CB 3.85Å; L3-L117 HydrophobicContact CG-CD1 3.89Å; L3-L117 HydrophobicContact CG-CD2 4.18Å; L3-L117 HydrophobicContact CG-CG 4.18Å; L3-C121 VanDerWaalsContact CB-SG 3.57Å; L3-C121 VanDerWaalsContact CD2-SG 3.51Å
4L56.6Low57.4Low76 Ų7675.8 Ų75.840%0.39841%0.405SS..Hα-helixtrans-62-23.1175.1-81.5142.4000113.3R2 L118R2-L4 VanDerWaalsContact C-N 3.3Å; R2-L4 PolarHBondContact O-N 3.13Å; L4-L118 HydrophobicContact CB-CD2 4.02Å; L4-L118 HydrophobicContact CD2-CD1 4.38Å; L4-L118 HydrophobicContact CD2-CD2 3.32Å; L4-L118 HydrophobicContact CD2-CG 4.27Å; L4-L118 HydrophobicContact CG-CD2 3.73Å
5L60.7Low57.1Low23 Ų2378.6 Ų78.612%0.1243%0.426CS..Hα-helixtrans-108.5-46.5-171.2-65.2172.4000110.1R2 L3 L59 L64 F67 I75 L79R2-L5 CarbonylContact O-C 3.59Å; R2-L5 PolarHBondContact O-N 2.72Å; L3-L5 PolarHBondContact O-N 3.3Å; L5-L59 HydrophobicContact CB-CD2 4.44Å; L5-L59 HydrophobicContact CD1-CD1 4.04Å; L5-L59 HydrophobicContact CD1-CD2 3.7Å; L5-L64 HydrophobicContact CB-CD1 4.25Å; L5-L64 HydrophobicContact CB-CD2 3.46Å; L5-L64 VanDerWaalsContact CB-CD2 3.46Å; L5-L64 WeakPolarHBondContact O-CD2 3.39Å; L5-F67 HydrophobicContact CD2-CZ 4.34Å; L5-F67 WeakPolarHBondContact O-CE2 3.32Å; L5-I75 HydrophobicContact CD1-CG2 3.71Å; L5-I75 HydrophobicContact CD2-CD1 3.5Å; L5-I75 HydrophobicContact CD2-CG1 4.08Å; L5-I75 HydrophobicContact CD2-CG2 4.44Å; L5-L79 HydrophobicContact CD1-CD1 4.4Å
6T64.9Low56.7Low16 Ų1685 Ų8510%0.09845%0.452CS..Hα-helixtrans-88.8-13.8-166.755.80000116.5R2 E8 K63 L64R2-T6 HydrophobicContact CG-CG2 4.42Å; R2-T6 PolarHBondContact O-N 2.6Å; R2-T6 PolarHBondContact O-OG1 3.24Å; R2-T6 VanDerWaalsContact O-OG1 3.05Å; T6-E8 PolarHBondContact O-N 3.13Å; T6-K63 HydrophobicContact CG2-CB 3.98Å; T6-L64 HydrophobicContact CG2-CD2 3.45Å; T6-L64 VanDerWaalsContact CG2-CD2 3.45Å; T6-L64 HydrophobicContact CG2-CG 4.42Å
7G56.6Low56.2Low56 Ų5692.5 Ų92.558%0.57747%0.473SS*.  trans6410.3-177.800000113.8
8E60.4Low55.6Low74 Ų7496.7 Ų96.735%0.34649%0.487SS..  trans-117126.8-177.8-71.1176.9-174.300110.1L3 T6 K63 L117L3-E8 WeakPolarHBondContact CD1-O 3.43Å; T6-E8 PolarHBondContact O-N 3.13Å; E8-K63 WeakPolarHBondContact OE2-CD 3.3Å; E8-K63 WeakPolarHBondContact OE2-CE 3.49Å; E8-K63 IonicContact OE2-NZ 2.73Å; E8-K63 PolarHBondContact OE2-NZ 3.3Å; E8-L117 VanDerWaalsContact N-CD1 3.29Å
9N60.7Low54.8Low54 Ų5499.5 Ų99.529%0.28950%0.504SS..  trans-81126.4169.6-173.8-20.2000109N11 E12 L117N9-N11 PolarHBondContact O-N 3.03Å; N9-N11 VanDerWaalsContact O-N 3.08Å; N9-N11 WeakPolarHBondContact OD1-CB 3.3Å; N9-N11 PolarHBondContact OD1-N 3.13Å; N9-E12 HydrophobicContact CB-CG 4.44Å; N9-E12 PolarHBondContact O-N 3.25Å; N9-L117 HydrophobicContact CB-CD2 4.34Å
10P61.9Low54.2Low86 Ų86100 Ų10056%0.55852%0.517SS*.THydrogen-bonded Turntrans-57.2-22.7176.722.4-32.8000113.6
11N61.7Low53.5Low104 Ų104100.7 Ų100.756%0.55653%0.526SS*.THydrogen-bonded Turntrans-80.5-17.1-176.4-61.3-9.1000113.9N9 V15N9-N11 PolarHBondContact O-N 3.03Å; N9-N11 VanDerWaalsContact O-N 3.08Å; N9-N11 WeakPolarHBondContact OD1-CB 3.3Å; N9-N11 PolarHBondContact OD1-N 3.13Å; N11-V15 WeakPolarHBondContact O-CG2 3.43Å
12E58.9Low53Low145 Ų145102 Ų10268%0.67854%0.541SS*.Hα-helixtrans-81.4-15.5-179.8-77.5-178.1178.100113.5N9N9-E12 HydrophobicContact CB-CG 4.44Å; N9-E12 PolarHBondContact O-N 3.25Å
13I57.4Low52.4Low113 Ų113104.9 Ų104.958%0.57956%0.563SS**Hα-helixtrans-79.7-23.5-178.4-55.1174000111.4
14D53.1Low52.1Low82 Ų82112.3 Ų112.344%0.43960%0.597SS.*Hα-helixtrans-98.8-24.6-175.1-145.222.8000113.3Q16 R17D14-Q16 PolarHBondContact O-N 3.09Å; D14-R17 PolarHBondContact O-N 3.21Å; D14-R17 VanDerWaalsContact O-N 3.14Å
15V52.6Low51.4Low118 Ų118113.2 Ų113.272%0.71561%0.61SS**Hα-helixtrans-73.8-25.7-175.41760000113.1N11 R17N11-V15 WeakPolarHBondContact O-CG2 3.43Å; V15-R17 PolarHBondContact O-N 2.91Å
16Q50.4Low50.6Low181 Ų181119.2 Ų119.285%0.84664%0.64SS**THydrogen-bonded Turntrans-74-6.4171.8-73.3-162.526.800113.8D14D14-Q16 PolarHBondContact O-N 3.09Å
17R48.6Very low49.5Very low213 Ų213126.6 Ų126.680%0.80467%0.671SS**THydrogen-bonded Turntrans-102.6-11.8-171.8-149.3174.1-160.2143.55.4115.3D14 V15D14-R17 PolarHBondContact O-N 3.21Å; D14-R17 VanDerWaalsContact O-N 3.14Å; V15-R17 PolarHBondContact O-N 2.91Å
18K45.8Very low48.8Very low167 Ų167131.3 Ų131.373%0.72668%0.678SS**  trans-124.869.7-174-67.1-175.9-177.4170.50112.5
19N38.8Very low47.8Very low150 Ų150136.5 Ų136.580%0.80270%0.702SS**  trans-62.5148.5153.5-64-31.6000109.1
20S44.5Very low46.6Very low110 Ų110144.7 Ų144.777%0.76973%0.73SS**  trans100.298.3151.3-1480000119.4
21T38.9Very low45.6Very low115 Ų115148.9 Ų148.971%0.70674%0.743SS**  86.7110.2119.7-44.60000122.5
22T41.1Very low44.5Very low141 Ų141152.7 Ų152.787%0.86575%0.754SS**  trans72.7144.8140.643.20000127.1
23D35.9Very low43.8Very low156 Ų156150.2 Ų150.283%0.83475%0.753SS**  trans-75.9154.1-172.9-110.3-37.7000118.3
24E44.3Very low42.9Very low179 Ų179153.3 Ų153.384%0.83677%0.765SS**  160.6119124.3-96.8-171.8160.700116.9
25S42.8Very low42.2Very low94 Ų94155.2 Ų155.266%0.65778%0.78SS**  trans56.2114136.764.10000127.7
26I43.2Very low41.7Very low150 Ų150158.3 Ų158.377%0.76978%0.783SS**  80.6119.3113.9-64.9173.9000124.1
27K41.4Very low41.2Very low170 Ų170158.6 Ų158.674%0.73979%0.785SS**  trans93.5114.3138.7-78.6175.1176.7-177.40126.1
28H42.1Very low40.8Very low156 Ų156154 Ų15472%0.72279%0.786SS**  85.6128.9123.1-75.3-44.5000125.5
29Q39.6Very low40.3Very low182 Ų182153.9 Ų153.985%0.8579%0.793SS**  trans103134.9138.8-80-174.220.300121.4
30Y35Very low40.1Very low226 Ų226155.5 Ų155.589%0.88679%0.793SS**  trans-95150.4-166-72-99.4000112.6
31E40.5Very low39.8Very low175 Ų175159.1 Ų159.182%0.81880%0.803SS**  170.5127.2114-98.9-166.8145.700114.9
32K39.8Very low39.7Very low183 Ų183157.4 Ų157.480%0.79680%0.795SS**  trans74.2119.5136.8-121.2172.6-179.9169.60124.5
33S44.6Very low39.6Very low94 Ų94156.1 Ų156.166%0.65779%0.792SS**  trans91.6114.913228.90000123.8
34E38.9Very low39.5Very low178 Ų178153.9 Ų153.983%0.83278%0.784SS**  96.1105.9128.1-72.8-174.3173.600123.6
35T37.9Very low39.4Very low121 Ų121151.9 Ų151.974%0.74278%0.778SS**  trans85.9129.8132.4360000124.9
36K41Very low39.1Very low183 Ų183154.1 Ų154.180%0.79678%0.782SS**  trans99.6107.6145.2-75.1171.5-177.2-178.60120.3
37Q40.6Very low38.7Very low188 Ų188152.2 Ų152.288%0.87978%0.782SS**  trans50.5114.7135.5-91.1174.9-20.400119.3
38S40.8Very low38.6Very low117 Ų117150.4 Ų150.482%0.81878%0.781SS**  177.4142.1123.8-177.60000111.9K40S38-K40 PolarHBondContact O-N 3.44Å
39N35.7Very low38.5Very low164 Ų164151.2 Ų151.288%0.87779%0.79SS**  trans-49.2119.1-178-64.4-38.4000114.8
40K34.6Very low38.6Very low184 Ų184148.1 Ų148.180%0.878%0.784SS**  trans-156.795.1153.5-154.8173.5-175.6-179.40108.9S38 S42S38-K40 PolarHBondContact O-N 3.44Å; K40-S42 PolarHBondContact O-N 3.43Å
41L38Very low39.2Very low186 Ų186142 Ų14297%0.97477%0.766SS**  trans-73.276170.3-83.7159.6000108.8
42S36.6Very low39.6Very low79 Ų79137.2 Ų137.255%0.55275%0.75SS**  trans-85.6103.4156-66.80000106.8K40 T44K40-S42 PolarHBondContact O-N 3.43Å; S42-T44 VanDerWaalsContact C-N 3.35Å; S42-T44 PolarHBondContact O-N 3.04Å; S42-T44 VanDerWaalsContact O-N 3.15Å
43S37.9Very low39.7Very low114 Ų114134.8 Ų134.880%0.79775%0.751SS**  trans-81.486.7167.9610000108.6
44T35.2Very low40Very low109 Ų109135.8 Ų135.867%0.66974%0.741SS**  trans-76.6117165.4-60.20000107.5S42 N46S42-T44 VanDerWaalsContact C-N 3.35Å; S42-T44 PolarHBondContact O-N 3.04Å; S42-T44 VanDerWaalsContact O-N 3.15Å; T44-N46 PolarHBondContact O-N 3.15Å
45I41.2Very low40.5Very low137 Ų137131.6 Ų131.670%0.70373%0.731SS**  trans-79101.7172.9-60.7164.4000106.1
46N36.5Very low41.2Very low141 Ų141133.9 Ų133.975%0.75473%0.733SS**  trans-106.7125.1157.5-76.4-8000107.2T44 D48T44-N46 PolarHBondContact O-N 3.15Å; N46-D48 PolarHBondContact O-N 2.83Å
47S34.6Very low41.7Very low110 Ų110130.4 Ų130.477%0.76972%0.723SS**  trans-70.799.5-169.950.30000111.7
48D38.8Very low42.5Very low132 Ų132128.9 Ų128.971%0.70672%0.716SS**SBendtrans-149.6110.8161-88.9-40.1000107.7N46 T50N46-D48 PolarHBondContact O-N 2.83Å; D48-T50 WeakPolarHBondContact O-CB 3.24Å; D48-T50 PolarHBondContact O-N 3.4Å; D48-T50 PolarHBondContact O-OG1 2.99Å
49N40.9Very low43.8Very low173 Ų173125.6 Ų125.693%0.92569%0.689SS**SBendtrans2921.7157-69.4-10.4000121.1I51N49-I51 PolarHBondContact O-N 3.24Å
50T41.7Very low45.5Very low116 Ų116120.5 Ų120.571%0.71266%0.662SS**  trans-95.4109.5-174.9-47.60000107.4D48D48-T50 WeakPolarHBondContact O-CB 3.24Å; D48-T50 PolarHBondContact O-N 3.4Å; D48-T50 PolarHBondContact O-OG1 2.99Å
51I48Very low47.4Very low98 Ų98113.2 Ų113.250%0.50363%0.631SS.*  trans-43.4127.3169.4-60.7170.4000107.1N49 T53 K128N49-I51 PolarHBondContact O-N 3.24Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 2.87Å; I51-K128 HydrophobicContact CD1-CD 3.96Å; I51-K128 HydrophobicContact CD1-CG 4.49Å
52P47.8Very low49.1Very low75 Ų75113 Ų11349%0.48762%0.622SS.*  trans-59.2104.51755.3-5.7000107.4Y54P52-Y54 HydrophobicContact CB-CD1 4.38Å; P52-Y54 HydrophobicContact CB-CD2 4.44Å; P52-Y54 HydrophobicContact CB-CE1 3.96Å; P52-Y54 HydrophobicContact CB-CE2 4.04Å; P52-Y54 HydrophobicContact CG-CE1 4.28Å; P52-Y54 HydrophobicContact CG-CE2 3.9Å; P52-Y54 WeakPolarHBondContact O-CD2 3.3Å; P52-Y54 WeakPolarHBondContact O-CE2 3.4Å; P52-Y54 PolarHBondContact O-N 3.18Å
53T43Very low51.1Low132 Ų132112.3 Ų112.381%0.8161%0.609SS**  trans-62.889.1168.1-51.80000105I51 S55I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 2.87Å; T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 PolarHBondContact O-N 3.06Å
54Y50Low53Low115 Ų115107 Ų10745%0.45157%0.572SS.*  trans-67.995.9179.6-68-72.3000105.9P52 Q56P52-Y54 HydrophobicContact CB-CD1 4.38Å; P52-Y54 HydrophobicContact CB-CD2 4.44Å; P52-Y54 HydrophobicContact CB-CE1 3.96Å; P52-Y54 HydrophobicContact CB-CE2 4.04Å; P52-Y54 HydrophobicContact CG-CE1 4.28Å; P52-Y54 HydrophobicContact CG-CE2 3.9Å; P52-Y54 WeakPolarHBondContact O-CD2 3.3Å; P52-Y54 WeakPolarHBondContact O-CE2 3.4Å; P52-Y54 PolarHBondContact O-N 3.18Å; Y54-Q56 PolarHBondContact O-N 3.48Å
55S49.5Very low55.3Low90 Ų90110.5 Ų110.563%0.62958%0.578SS**  trans-49.2123.3163.758.20000106T53 N57T53-S55 VanDerWaalsContact C-N 3.27Å; T53-S55 PolarHBondContact O-N 3.06Å; S55-N57 PolarHBondContact O-N 3.39Å
56Q52.5Low57.4Low169 Ų169110.8 Ų110.879%0.7957%0.57SS**SBendtrans-60.22.3-171.8-161.1154.3-3900113.2Y54Y54-Q56 PolarHBondContact O-N 3.48Å
57N52.5Low59.8Low109 Ų109106 Ų10658%0.58354%0.543SS*.SBendtrans-104.7111.6-165.3-59.8-28000108.9S55S55-N57 PolarHBondContact O-N 3.39Å
58H57.8Low62.3Low157 Ų157102.9 Ų102.973%0.72752%0.521SS*.  trans84.367.4172.3-58.3-79000117.1R2 N60R2-H58 PolarHBondContact NE-O 3.24Å; R2-H58 PolarHBondContact NH2-O 2.81Å; H58-N60 PolarHBondContact O-N 3.38Å; H58-N60 VanDerWaalsContact O-N 3.12Å
59L66.5Low64.7Low47 Ų47104.6 Ų104.625%0.24652%0.522CS..  trans-57.3115.7143.3-84.1159.3000109R2 L5 I61 L79R2-L59 HydrophobicContact CB-CD2 4.05Å; R2-L59 HydrophobicContact CG-CD2 3.38Å; R2-L59 HydrophobicContact CG-CG 4.23Å; L5-L59 HydrophobicContact CB-CD2 4.44Å; L5-L59 HydrophobicContact CD1-CD1 4.04Å; L5-L59 HydrophobicContact CD1-CD2 3.7Å; L59-I61 VanDerWaalsContact C-N 3.31Å; L59-I61 HydrophobicContact CB-CG1 4.42Å; L59-I61 PolarHBondContact O-N 3.32Å; L59-L79 HydrophobicContact CD1-CB 4.46Å; L59-L79 HydrophobicContact CD1-CD1 3.07Å; L59-L79 HydrophobicContact CD1-CG 4.31Å
60N71.8Confident67.1Low58 Ų5899.1 Ų99.131%0.3150%0.496SS..  trans-83.385.8175.7-171.9-14000108.3H58 K62 K63H58-N60 PolarHBondContact O-N 3.38Å; H58-N60 VanDerWaalsContact O-N 3.12Å; N60-K62 PolarHBondContact O-N 3Å; N60-K62 VanDerWaalsContact O-N 3.1Å; N60-K62 VanDerWaalsContact OD1-CB 3.26Å; N60-K62 WeakPolarHBondContact OD1-CB 3.32Å; N60-K62 PolarHBondContact OD1-N 3.04Å; N60-K63 HydrophobicContact CB-CD 4Å; N60-K63 HydrophobicContact CB-CG 4.07Å; N60-K63 WeakPolarHBondContact O-CB 3.43Å; N60-K63 PolarHBondContact O-N 3.18Å
61I75Confident69.4Low31 Ų3193.7 Ų93.716%0.15946%0.463CS..G310 helixtrans-59.9-22.6-178.8-63.6-175.9000111.9L59 K63 L64 R72 I75 Y76L59-I61 VanDerWaalsContact C-N 3.31Å; L59-I61 HydrophobicContact CB-CG1 4.42Å; L59-I61 PolarHBondContact O-N 3.32Å; I61-K63 PolarHBondContact O-N 2.98Å; I61-L64 HydrophobicContact CB-CD1 4.25Å; I61-L64 HydrophobicContact CG1-CD1 4.16Å; I61-L64 HydrophobicContact CG2-CD1 4.11Å; I61-L64 WeakPolarHBondContact O-CB 3.49Å; I61-L64 WeakPolarHBondContact O-CG 3.49Å; I61-L64 PolarHBondContact O-N 3.28Å; I61-L64 VanDerWaalsContact O-N 3.13Å; I61-R72 HydrophobicContact CG2-CB 3.68Å; I61-R72 HydrophobicContact CG2-CG 3.87Å; I61-I75 HydrophobicContact CD1-CG2 4.43Å; I61-Y76 HydrophobicContact CD1-CD2 3.44Å; I61-Y76 VanDerWaalsContact CD1-CD2 3.44Å; I61-Y76 HydrophobicContact CD1-CG 3.79Å
62K73.3Confident71.4Confident181 Ų18192.7 Ų92.779%0.78745%0.453SS*.G310 helixtrans-66.8-22.7174.1-54.4-177.4176.6-179.70112.6N60 L64N60-K62 PolarHBondContact O-N 3Å; N60-K62 VanDerWaalsContact O-N 3.1Å; N60-K62 VanDerWaalsContact OD1-CB 3.26Å; N60-K62 WeakPolarHBondContact OD1-CB 3.32Å; N60-K62 PolarHBondContact OD1-N 3.04Å; K62-L64 VanDerWaalsContact C-N 3.33Å
63K77.9Confident73.5Confident64 Ų6495 Ų9528%0.27846%0.455SS..G310 helixtrans-78.8-14.4174.1-66.8-177.5158-144.80113.3T6 E8 N60 I61 K65T6-K63 HydrophobicContact CG2-CB 3.98Å; E8-K63 WeakPolarHBondContact OE2-CD 3.3Å; E8-K63 WeakPolarHBondContact OE2-CE 3.49Å; E8-K63 IonicContact OE2-NZ 2.73Å; E8-K63 PolarHBondContact OE2-NZ 3.3Å; N60-K63 HydrophobicContact CB-CD 4Å; N60-K63 HydrophobicContact CB-CG 4.07Å; N60-K63 WeakPolarHBondContact O-CB 3.43Å; N60-K63 PolarHBondContact O-N 3.18Å; I61-K63 PolarHBondContact O-N 2.98Å; K63-K65 PolarHBondContact O-N 3.08Å
64L78.2Confident75.8Confident2 Ų291.2 Ų91.21%0.0143%0.428CS..  trans-76.954.9179.4-50.9-177.3000112.3L5 T6 I61 K62 R66 F67 R72 I75L5-L64 HydrophobicContact CB-CD1 4.25Å; L5-L64 HydrophobicContact CB-CD2 3.46Å; L5-L64 VanDerWaalsContact CB-CD2 3.46Å; L5-L64 WeakPolarHBondContact O-CD2 3.39Å; T6-L64 HydrophobicContact CG2-CD2 3.45Å; T6-L64 VanDerWaalsContact CG2-CD2 3.45Å; T6-L64 HydrophobicContact CG2-CG 4.42Å; I61-L64 HydrophobicContact CB-CD1 4.25Å; I61-L64 HydrophobicContact CG1-CD1 4.16Å; I61-L64 HydrophobicContact CG2-CD1 4.11Å; I61-L64 WeakPolarHBondContact O-CB 3.49Å; I61-L64 WeakPolarHBondContact O-CG 3.49Å; I61-L64 PolarHBondContact O-N 3.28Å; I61-L64 VanDerWaalsContact O-N 3.13Å; K62-L64 VanDerWaalsContact C-N 3.33Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 3.14Å; L64-F67 HydrophobicContact CB-CB 4.26Å; L64-F67 HydrophobicContact CB-CD2 3.88Å; L64-F67 HydrophobicContact CB-CG 4.38Å; L64-F67 HydrophobicContact CD2-CD2 4.43Å; L64-F67 PolarHBondContact O-N 3.3Å; L64-R72 HydrophobicContact CB-CG 3.95Å; L64-R72 HydrophobicContact CD1-CG 4.32Å; L64-R72 WeakPolarHBondContact O-CD 3.08Å; L64-I75 HydrophobicContact CD1-CD1 4.09Å; L64-I75 HydrophobicContact CD1-CG2 4.45Å
65K83.2Confident77.7Confident184 Ų18486.5 Ų86.580%0.841%0.41SS*.THydrogen-bonded Turntrans-65.4-29.2-171.9-67.8-175.9-179.9178.10113.6K63 F67K63-K65 PolarHBondContact O-N 3.08Å; K65-F67 VanDerWaalsContact C-N 3.29Å; K65-F67 PolarHBondContact O-N 2.75Å
66R85.4Confident79.7Confident142 Ų14288.8 Ų88.854%0.53641%0.406SS..THydrogen-bonded Turntrans-77.5-12.8178.5-61.4-170.1-175.5-135.63.8113.7L64 V111 I112 I113L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 3.14Å; R66-V111 HydrophobicContact CB-CG1 4.34Å; R66-I112 PolarHBondContact NH1-O 3.46Å; R66-I112 VanDerWaalsContact NH1-O 3.13Å; R66-I113 HydrophobicContact CB-CG1 4.35Å
67F86.6Confident81.6Confident40 Ų4082.1 Ų82.118%0.17538%0.376CS..SBendtrans-89.6137.7-179.5-72.9-94.8000111.2L5 L64 K65 A71 R72 I75 I113L5-F67 HydrophobicContact CD2-CZ 4.34Å; L5-F67 WeakPolarHBondContact O-CE2 3.32Å; L64-F67 HydrophobicContact CB-CB 4.26Å; L64-F67 HydrophobicContact CB-CD2 3.88Å; L64-F67 HydrophobicContact CB-CG 4.38Å; L64-F67 HydrophobicContact CD2-CD2 4.43Å; L64-F67 PolarHBondContact O-N 3.3Å; K65-F67 VanDerWaalsContact C-N 3.29Å; K65-F67 PolarHBondContact O-N 2.75Å; F67-A71 HydrophobicContact CB-CB 4.14Å; F67-A71 HydrophobicContact CD1-CB 3.99Å; F67-R72 HydrophobicContact CB-CG 3.87Å; F67-R72 PolarHBondContact O-NE 2.73Å; F67-I75 HydrophobicContact CD1-CD1 4.28Å; F67-I75 HydrophobicContact CE1-CD1 4.46Å; F67-I113 HydrophobicContact CD1-CD1 4.28Å; F67-I113 HydrophobicContact CE1-CD1 3.91Å; F67-I113 HydrophobicContact CE2-CD1 4.18Å; F67-I113 HydrophobicContact CZ-CD1 3.86Å
68S88.4Confident83.4Confident45 Ų4579 Ų7932%0.31536%0.362SS..  trans-57.2156.2172.7730000111.1P70 A71 R72S68-P70 VanDerWaalsContact C-N 3.34Å; S68-A71 PolarHBondContact O-N 3.44Å; S68-A71 WeakPolarHBondContact OG-CB 3.08Å; S68-A71 PolarHBondContact OG-N 3.27Å; S68-R72 PolarHBondContact O-N 3.25Å
69K89.4Confident84.8Confident168 Ų16875 Ų7573%0.7335%0.345SS*.Hα-helixtrans-55.8-44176.8-67176.5-178.3172.60111.8R72 K73K69-R72 PolarHBondContact O-N 2.82Å; K69-K73 PolarHBondContact O-N 3.25Å
70P90.8Very high85.9Confident58 Ų5874.4 Ų74.438%0.37734%0.343SS..Hα-helixtrans-62.2-40.7175.7-23.735.1000113.7S68 R72 K73 F74 W97S68-P70 VanDerWaalsContact C-N 3.34Å; P70-R72 PolarHBondContact O-N 3.17Å; P70-K73 WeakPolarHBondContact O-CB 3.49Å; P70-K73 PolarHBondContact O-N 3.47Å; P70-F74 PolarHBondContact O-N 3.12Å; P70-W97 HydrophobicContact CB-CB 3.63Å; P70-W97 HydrophobicContact CB-CD2 4.46Å; P70-W97 HydrophobicContact CB-CG 3.63Å
71A89.9Confident86.6Confident3 Ų375.8 Ų75.83%0.02536%0.357CS..Hα-helixtrans-60.9-45.2176.300000112.1F67 S68 K73 F74 I75 W97F67-A71 HydrophobicContact CB-CB 4.14Å; F67-A71 HydrophobicContact CD1-CB 3.99Å; S68-A71 PolarHBondContact O-N 3.44Å; S68-A71 WeakPolarHBondContact OG-CB 3.08Å; S68-A71 PolarHBondContact OG-N 3.27Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 2.84Å; A71-F74 WeakPolarHBondContact O-CB 3.49Å; A71-F74 PolarHBondContact O-N 3.31Å; A71-I75 WeakPolarHBondContact O-CD1 3.36Å; A71-I75 WeakPolarHBondContact O-CG1 3.43Å; A71-I75 PolarHBondContact O-N 3.2Å; A71-W97 HydrophobicContact CB-CD2 4.48Å; A71-W97 HydrophobicContact CB-CH2 4.22Å; A71-W97 HydrophobicContact CB-CZ2 3.36Å
72R90.3Very high87.3Confident77 Ų7776.7 Ų76.729%0.29137%0.366SS..Hα-helixtrans-60.9-40.7175.4-77.1-173.8-81.9165.5-5.7112.4I61 L64 F67 S68 K69 P70 Y76I61-R72 HydrophobicContact CG2-CB 3.68Å; I61-R72 HydrophobicContact CG2-CG 3.87Å; L64-R72 HydrophobicContact CB-CG 3.95Å; L64-R72 HydrophobicContact CD1-CG 4.32Å; L64-R72 WeakPolarHBondContact O-CD 3.08Å; F67-R72 HydrophobicContact CB-CG 3.87Å; F67-R72 PolarHBondContact O-NE 2.73Å; S68-R72 PolarHBondContact O-N 3.25Å; K69-R72 PolarHBondContact O-N 2.82Å; P70-R72 PolarHBondContact O-N 3.17Å; R72-Y76 WeakPolarHBondContact O-CB 3.27Å; R72-Y76 PolarHBondContact O-N 3.22Å
73K91.3Very high88.2Confident123 Ų12372.4 Ų72.454%0.53536%0.356SS..Hα-helixtrans-64.6-42.6176.3-176.9176.7178.7-179.10111.5K69 P70 A71 Y76 N77 W92K69-K73 PolarHBondContact O-N 3.25Å; P70-K73 WeakPolarHBondContact O-CB 3.49Å; P70-K73 PolarHBondContact O-N 3.47Å; A71-K73 VanDerWaalsContact C-N 3.32Å; A71-K73 PolarHBondContact O-N 2.84Å; K73-Y76 PolarHBondContact O-N 3.05Å; K73-N77 WeakPolarHBondContact O-CB 3.43Å; K73-N77 PolarHBondContact O-N 3.06Å; K73-W92 HydrophobicContact CG-CH2 4.46Å
74F92.5Very high88.9Confident53 Ų5380.6 Ų80.623%0.23239%0.386CS..Hα-helixtrans-57.3-55.3174.6174.9-103.1000111.5P70 A71 Y76 N77 C78 W92 W97 F98P70-F74 PolarHBondContact O-N 3.12Å; A71-F74 WeakPolarHBondContact O-CB 3.49Å; A71-F74 PolarHBondContact O-N 3.31Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.34Å; F74-N77 PolarHBondContact O-N 3.23Å; F74-C78 WeakPolarHBondContact CE2-SG 3.47Å; F74-C78 VanDerWaalsContact CZ-SG 3.58Å; F74-C78 WeakPolarHBondContact O-CB 3.33Å; F74-C78 PolarHBondContact O-N 3.05Å; F74-C78 PolarHBondContact O-SG 2.82Å; F74-C78 VanDerWaalsContact O-SG 3.34Å; F74-W92 VanDerWaalsContact CA-CH2 3.48Å; F74-W92 HydrophobicContact CB-CE3 4.46Å; F74-W92 HydrophobicContact CB-CH2 4.19Å; F74-W92 HydrophobicContact CB-CZ3 4Å; F74-W92 AromaticContact CD2-CD2 3.56Å; F74-W92 HydrophobicContact CD2-CD2 3.56Å; F74-W92 AromaticContact CD2-CE2 3.78Å; F74-W92 AromaticContact CD2-CE3 3.65Å; F74-W92 HydrophobicContact CD2-CE3 3.65Å; F74-W92 HydrophobicContact CD2-CG 4.06Å; F74-W92 HydrophobicContact CD2-CH2 4.2Å; F74-W92 HydrophobicContact CD2-CZ2 4.12Å; F74-W92 AromaticContact CD2-CZ3 3.96Å; F74-W92 HydrophobicContact CD2-CZ3 3.96Å; F74-W92 AromaticContact CE2-CD2 3.99Å; F74-W92 HydrophobicContact CE2-CD2 3.99Å; F74-W92 HydrophobicContact CE2-CE3 4.47Å; F74-W92 AromaticContact CE2-CG 4Å; F74-W92 HydrophobicContact CE2-CG 4Å; F74-W97 HydrophobicContact CB-CE3 3.73Å; F74-W97 HydrophobicContact CB-CH2 4.15Å; F74-W97 HydrophobicContact CB-CZ3 3.45Å; F74-W97 VanDerWaalsContact CB-CZ3 3.45Å; F74-W97 HydrophobicContact CD1-CE3 4.31Å; F74-W97 AromaticContact CD1-CH2 3.59Å; F74-W97 HydrophobicContact CD1-CH2 3.59Å; F74-W97 AromaticContact CD1-CZ3 3.24Å; F74-W97 HydrophobicContact CD1-CZ3 3.24Å; F74-W97 HydrophobicContact CD2-CE3 4.24Å; F74-W97 AromaticContact CD2-CZ3 3.79Å; F74-W97 HydrophobicContact CD2-CZ3 3.79Å; F74-W97 HydrophobicContact CE1-CH2 4.19Å; F74-W97 AromaticContact CE1-CZ3 3.85Å; F74-W97 HydrophobicContact CE1-CZ3 3.85Å; F74-W97 HydrophobicContact CE2-CZ3 4.33Å; F74-W97 AromaticContact CG-CE3 3.85Å; F74-W97 HydrophobicContact CG-CE3 3.85Å; F74-W97 AromaticContact CG-CH2 3.97Å; F74-W97 HydrophobicContact CG-CH2 3.97Å; F74-W97 AromaticContact CG-CZ3 3.19Å; F74-W97 HydrophobicContact CG-CZ3 3.19Å; F74-W97 HydrophobicContact CZ-CZ3 4.35Å; F74-F98 AromaticContact CD2-CE2 3.76Å; F74-F98 HydrophobicContact CD2-CE2 3.76Å; F74-F98 AromaticContact CD2-CZ 3.83Å; F74-F98 HydrophobicContact CD2-CZ 3.83Å; F74-F98 HydrophobicContact CE1-CZ 4.45Å; F74-F98 AromaticContact CE2-CE2 3.8Å; F74-F98 HydrophobicContact CE2-CE2 3.8Å; F74-F98 AromaticContact CE2-CZ 3.48Å; F74-F98 HydrophobicContact CE2-CZ 3.48Å; F74-F98 VanDerWaalsContact CE2-CZ 3.48Å; F74-F98 HydrophobicContact CG-CE2 4.48Å; F74-F98 HydrophobicContact CG-CZ 4.45Å; F74-F98 AromaticContact CZ-CZ 3.82Å; F74-F98 HydrophobicContact CZ-CZ 3.82Å
75I90.1Very high89.6Confident15 Ų1587 Ų878%0.07741%0.414CS..Hα-helixtrans-57.6-45.4179.2-66.4156.8000111.3L5 I61 L64 F67 A71 N77 L79L5-I75 HydrophobicContact CD1-CG2 3.71Å; L5-I75 HydrophobicContact CD2-CD1 3.5Å; L5-I75 HydrophobicContact CD2-CG1 4.08Å; L5-I75 HydrophobicContact CD2-CG2 4.44Å; I61-I75 HydrophobicContact CD1-CG2 4.43Å; L64-I75 HydrophobicContact CD1-CD1 4.09Å; L64-I75 HydrophobicContact CD1-CG2 4.45Å; F67-I75 HydrophobicContact CD1-CD1 4.28Å; F67-I75 HydrophobicContact CE1-CD1 4.46Å; A71-I75 WeakPolarHBondContact O-CD1 3.36Å; A71-I75 WeakPolarHBondContact O-CG1 3.43Å; A71-I75 PolarHBondContact O-N 3.2Å; I75-N77 VanDerWaalsContact C-N 3.35Å; I75-N77 PolarHBondContact O-N 2.91Å; I75-L79 HydrophobicContact CG2-CD1 3.74Å; I75-L79 WeakPolarHBondContact O-CB 3.35Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 3.47Å; I75-L79 VanDerWaalsContact O-N 3.14Å
76Y89.9Confident90Very high139 Ų13983.1 Ų83.155%0.54539%0.394SS..Hα-helixtrans-58.5-46.7179.4-177.2-112.4000112.6I61 R72 K73 F74 N80I61-Y76 HydrophobicContact CD1-CD2 3.44Å; I61-Y76 VanDerWaalsContact CD1-CD2 3.44Å; I61-Y76 HydrophobicContact CD1-CG 3.79Å; R72-Y76 WeakPolarHBondContact O-CB 3.27Å; R72-Y76 PolarHBondContact O-N 3.22Å; K73-Y76 PolarHBondContact O-N 3.05Å; F74-Y76 VanDerWaalsContact C-N 3.33Å; F74-Y76 PolarHBondContact O-N 3.34Å; Y76-N80 PolarHBondContact O-N 2.98Å
77N92Very high90.4Very high29 Ų2978.1 Ų78.116%0.15539%0.386CS..Hα-helixtrans-71.7-49.2-177.2-75.7-0.1000110.4K73 F74 I75 L79 N80 R86 W92K73-N77 WeakPolarHBondContact O-CB 3.43Å; K73-N77 PolarHBondContact O-N 3.06Å; F74-N77 PolarHBondContact O-N 3.23Å; I75-N77 VanDerWaalsContact C-N 3.35Å; I75-N77 PolarHBondContact O-N 2.91Å; N77-L79 PolarHBondContact O-N 2.99Å; N77-L79 VanDerWaalsContact O-N 3.17Å; N77-N80 WeakPolarHBondContact O-CB 3.04Å; N77-N80 PolarHBondContact O-N 2.73Å; N77-R86 VanDerWaalsContact O-CA 3.25Å; N77-R86 WeakPolarHBondContact O-CA 3.47Å; N77-R86 WeakPolarHBondContact O-CG 3.32Å; N77-W92 HydrophobicContact CB-CH2 3.93Å; N77-W92 HydrophobicContact CB-CZ2 3.48Å; N77-W92 VanDerWaalsContact CB-CZ2 3.48Å; N77-W92 WeakPolarHBondContact ND2-CH2 3.37Å
78C91.2Very high90.8Very high43 Ų4380.3 Ų80.329%0.29140%0.403SS..Hα-helixtrans-58.5-33.4-178.7-69.60000113.1F74 N80F74-C78 WeakPolarHBondContact CE2-SG 3.47Å; F74-C78 VanDerWaalsContact CZ-SG 3.58Å; F74-C78 WeakPolarHBondContact O-CB 3.33Å; F74-C78 PolarHBondContact O-N 3.05Å; F74-C78 PolarHBondContact O-SG 2.82Å; F74-C78 VanDerWaalsContact O-SG 3.34Å; C78-N80 VanDerWaalsContact C-N 3.32Å
79L88Confident91Very high72 Ų7283.2 Ų83.238%0.37742%0.419SS..THydrogen-bonded Turntrans-94.29.6-179.2-56.8175.7000113M1 L5 L59 I75 N77 S81M1-L79 HydrophobicContact CE-CD1 4.42Å; M1-L79 HydrophobicContact CE-CD2 3.76Å; L5-L79 HydrophobicContact CD1-CD1 4.4Å; L59-L79 HydrophobicContact CD1-CB 4.46Å; L59-L79 HydrophobicContact CD1-CD1 3.07Å; L59-L79 HydrophobicContact CD1-CG 4.31Å; I75-L79 HydrophobicContact CG2-CD1 3.74Å; I75-L79 WeakPolarHBondContact O-CB 3.35Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.46Å; I75-L79 PolarHBondContact O-N 3.47Å; I75-L79 VanDerWaalsContact O-N 3.14Å; N77-L79 PolarHBondContact O-N 2.99Å; N77-L79 VanDerWaalsContact O-N 3.17Å; L79-S81 PolarHBondContact O-N 2.73Å
80N88.2Confident91.3Very high36 Ų3680.4 Ų80.419%0.19341%0.412CS..  trans-67.2130.9175.5-160.6-60.2000110.4Y76 N77 C78 S82 K85 R86Y76-N80 PolarHBondContact O-N 2.98Å; N77-N80 WeakPolarHBondContact O-CB 3.04Å; N77-N80 PolarHBondContact O-N 2.73Å; C78-N80 VanDerWaalsContact C-N 3.32Å; N80-S82 PolarHBondContact O-N 2.67Å; N80-S82 WeakPolarHBondContact OD1-CB 3.49Å; N80-S82 PolarHBondContact OD1-N 2.84Å; N80-K85 HydrophobicContact CB-CB 4.05Å; N80-R86 HydrophobicContact CB-CG 4.4Å; N80-R86 PolarHBondContact O-NE 3.17Å; N80-R86 PolarHBondContact O-NH2 3.13Å
81S88.2Confident91.5Very high87 Ų8782.4 Ų82.461%0.60841%0.414SS*.SBendtrans-58.2-34177.1-50.60000111.9L79 P83L79-S81 PolarHBondContact O-N 2.73Å; S81-P83 WeakPolarHBondContact O-CD 2.87Å
82S89.5Confident91.7Very high50 Ų5083.2 Ų83.235%0.3542%0.417SS..SBendtrans-81.9116.3175.5-174.30000111.2N80 R84 K85N80-S82 PolarHBondContact O-N 2.67Å; N80-S82 WeakPolarHBondContact OD1-CB 3.49Å; N80-S82 PolarHBondContact OD1-N 2.84Å; S82-R84 PolarHBondContact O-N 3.04Å; S82-K85 PolarHBondContact O-N 3.12Å
83P91.8Very high91.9Very high90 Ų9084.8 Ų84.858%0.58443%0.43SS*.G310 helixtrans-57.2-35.3179.6-26.135.7000113.2S81 K85 R86S81-P83 WeakPolarHBondContact O-CD 2.87Å; P83-K85 PolarHBondContact O-N 2.9Å; P83-K85 VanDerWaalsContact O-N 3.11Å; P83-R86 WeakPolarHBondContact O-CB 3.34Å; P83-R86 PolarHBondContact O-N 3.33Å
84R92.1Very high91.9Very high237 Ų23785.7 Ų85.789%0.89444%0.441SS*.G310 helixtrans-61.9-20.2179.1-63.9-176.9-176.7-91.31.6113.4S82S82-R84 PolarHBondContact O-N 3.04Å
85K92Very high91.9Very high137 Ų13784.9 Ų84.960%0.59644%0.442SS*.G310 helixtrans-96.4-3.4179.6-61.4-62.5-173.8-177.10113.4N80 S82 P83N80-K85 HydrophobicContact CB-CB 4.05Å; S82-K85 PolarHBondContact O-N 3.12Å; P83-K85 PolarHBondContact O-N 2.9Å; P83-K85 VanDerWaalsContact O-N 3.11Å
86R93.6Very high91.8Very high102 Ų10289 Ų8939%0.38546%0.464SS..SBendtrans-75.8-22.9-175.8-60.1-176.8-172.9170.25114.4N77 N80 P83 W92N77-R86 VanDerWaalsContact O-CA 3.25Å; N77-R86 WeakPolarHBondContact O-CA 3.47Å; N77-R86 WeakPolarHBondContact O-CG 3.32Å; N80-R86 HydrophobicContact CB-CG 4.4Å; N80-R86 PolarHBondContact O-NE 3.17Å; N80-R86 PolarHBondContact O-NH2 3.13Å; P83-R86 WeakPolarHBondContact O-CB 3.34Å; P83-R86 PolarHBondContact O-N 3.33Å; R86-W92 PolarHBondContact O-NE1 2.9Å
87G92.1Very high91.8Very high36 Ų3685.2 Ų85.237%0.37145%0.449SS..  trans79.4148.5-169.100000111.2
88T95Very high91.8Very high87 Ų8787.3 Ų87.353%0.53446%0.457SS..  trans-80.7167.4173.159.90000110.4D90 F91 W92T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.1Å; T88-F91 WeakPolarHBondContact O-CB 3.26Å; T88-F91 PolarHBondContact O-N 3.46Å; T88-F91 WeakPolarHBondContact OG1-CB 3.35Å; T88-F91 PolarHBondContact OG1-N 3.5Å; T88-W92 PolarHBondContact O-N 3.47Å
89V94.3Very high91.8Very high106 Ų10687.6 Ų87.664%0.64246%0.456SS*.Hα-helixtrans-58.3-47.7173.7176.60000110.2F91 W92 L93V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 3.31Å; V89-W92 PolarHBondContact O-N 3.13Å; V89-L93 HydrophobicContact CG1-CD1 3.74Å; V89-L93 HydrophobicContact CG1-CG 4.12Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 3.34Å
90D95.4Very high91.9Very high109 Ų10991.4 Ų91.458%0.58348%0.475SS*.Hα-helixtrans-59.4-39.3179.3-51-61.6000112.5T88 W92 L93 N94T88-D90 VanDerWaalsContact C-N 3.33Å; T88-D90 PolarHBondContact O-N 3.1Å; D90-W92 VanDerWaalsContact C-N 3.3Å; D90-W92 PolarHBondContact O-N 3.34Å; D90-L93 PolarHBondContact O-N 2.98Å; D90-N94 WeakPolarHBondContact O-CB 3.45Å; D90-N94 VanDerWaalsContact O-CG 3.24Å; D90-N94 PolarHBondContact O-N 3.44Å; D90-N94 VanDerWaalsContact O-N 3.08Å; D90-N94 PolarHBondContact O-ND2 3.18Å
91F93.8Very high92.1Very high99 Ų9994.4 Ų94.443%0.43449%0.492SS..Hα-helixtrans-59.5-42.1176.6171-93.1000111.8T88 V89T88-F91 WeakPolarHBondContact O-CB 3.26Å; T88-F91 PolarHBondContact O-N 3.46Å; T88-F91 WeakPolarHBondContact OG1-CB 3.35Å; T88-F91 PolarHBondContact OG1-N 3.5Å; V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 3.31Å
92W94.6Very high92.3Very high21 Ų2193.5 Ų93.58%0.0849%0.49CS..Hα-helixtrans-75.8-41.9-179.4-70.8119.5000112.7K73 F74 N77 R86 T88 V89 D90 N94 S95 F98K73-W92 HydrophobicContact CG-CH2 4.46Å; F74-W92 VanDerWaalsContact CA-CH2 3.48Å; F74-W92 HydrophobicContact CB-CE3 4.46Å; F74-W92 HydrophobicContact CB-CH2 4.19Å; F74-W92 HydrophobicContact CB-CZ3 4Å; F74-W92 AromaticContact CD2-CD2 3.56Å; F74-W92 HydrophobicContact CD2-CD2 3.56Å; F74-W92 AromaticContact CD2-CE2 3.78Å; F74-W92 AromaticContact CD2-CE3 3.65Å; F74-W92 HydrophobicContact CD2-CE3 3.65Å; F74-W92 HydrophobicContact CD2-CG 4.06Å; F74-W92 HydrophobicContact CD2-CH2 4.2Å; F74-W92 HydrophobicContact CD2-CZ2 4.12Å; F74-W92 AromaticContact CD2-CZ3 3.96Å; F74-W92 HydrophobicContact CD2-CZ3 3.96Å; F74-W92 AromaticContact CE2-CD2 3.99Å; F74-W92 HydrophobicContact CE2-CD2 3.99Å; F74-W92 HydrophobicContact CE2-CE3 4.47Å; F74-W92 AromaticContact CE2-CG 4Å; F74-W92 HydrophobicContact CE2-CG 4Å; N77-W92 HydrophobicContact CB-CH2 3.93Å; N77-W92 HydrophobicContact CB-CZ2 3.48Å; N77-W92 VanDerWaalsContact CB-CZ2 3.48Å; N77-W92 WeakPolarHBondContact ND2-CH2 3.37Å; R86-W92 PolarHBondContact O-NE1 2.9Å; T88-W92 PolarHBondContact O-N 3.47Å; V89-W92 PolarHBondContact O-N 3.13Å; D90-W92 VanDerWaalsContact C-N 3.3Å; D90-W92 PolarHBondContact O-N 3.34Å; W92-N94 PolarHBondContact O-N 3.14Å; W92-S95 WeakPolarHBondContact O-CB 3.33Å; W92-S95 PolarHBondContact O-N 3.22Å; W92-F98 HydrophobicContact CB-CD2 4.18Å; W92-F98 HydrophobicContact CB-CE2 3.8Å; W92-F98 HydrophobicContact CE3-CE2 4.25Å; W92-F98 HydrophobicContact CG-CE2 4.38Å; W92-F98 WeakPolarHBondContact O-CD2 3.38Å
93L93.3Very high92.4Very high109 Ų10997.1 Ų97.157%0.57151%0.505SS*.Hα-helixtrans-62.5-29.7177.5-67.1-179.5000112.3V89 D90 S95V89-L93 HydrophobicContact CG1-CD1 3.74Å; V89-L93 HydrophobicContact CG1-CG 4.12Å; V89-L93 WeakPolarHBondContact O-CG 3.33Å; V89-L93 PolarHBondContact O-N 3.34Å; D90-L93 PolarHBondContact O-N 2.98Å; L93-S95 PolarHBondContact O-N 3.45Å
94N92.6Very high92.4Very high142 Ų14293.8 Ų93.876%0.75948%0.482SS*.THydrogen-bonded Turntrans-77.4-2.6172.6-70.6-34.4000114.1D90 W92D90-N94 WeakPolarHBondContact O-CB 3.45Å; D90-N94 VanDerWaalsContact O-CG 3.24Å; D90-N94 PolarHBondContact O-N 3.44Å; D90-N94 VanDerWaalsContact O-N 3.08Å; D90-N94 PolarHBondContact O-ND2 3.18Å; W92-N94 PolarHBondContact O-N 3.14Å
95S91.2Very high92.4Very high37 Ų3785.2 Ų85.226%0.25946%0.456SS..SBendtrans-81.1139.9177.4-171.60000111.4W92 L93 W97 F98W92-S95 WeakPolarHBondContact O-CB 3.33Å; W92-S95 PolarHBondContact O-N 3.22Å; L93-S95 PolarHBondContact O-N 3.45Å; S95-W97 PolarHBondContact O-N 2.88Å; S95-W97 PolarHBondContact OG-N 3.24Å; S95-F98 PolarHBondContact O-N 3.4Å
96N88.2Confident92.3Very high101 Ų10183.5 Ų83.554%0.5445%0.453SS..G310 helixtrans-57.8-19.5171.8-166.865.7000113.2F98 N99 N104N96-F98 PolarHBondContact O-N 2.98Å; N96-N99 WeakPolarHBondContact O-CB 3.46Å; N96-N99 PolarHBondContact O-N 3.33Å; N96-N99 PolarHBondContact OD1-ND2 3.02Å; N96-N104 PolarHBondContact ND2-OD1 3.38Å; N96-N104 VanDerWaalsContact ND2-OD1 3.1Å; N96-N104 PolarHBondContact O-ND2 2.87Å; N96-N104 PolarHBondContact O-OD1 3.46Å
97W90.6Very high92.1Very high59 Ų5984 Ų8422%0.22346%0.464CS..G310 helixtrans-66.7-27175.2-167.149.4000113.4P70 A71 F74 S95P70-W97 HydrophobicContact CB-CB 3.63Å; P70-W97 HydrophobicContact CB-CD2 4.46Å; P70-W97 HydrophobicContact CB-CG 3.63Å; A71-W97 HydrophobicContact CB-CD2 4.48Å; A71-W97 HydrophobicContact CB-CH2 4.22Å; A71-W97 HydrophobicContact CB-CZ2 3.36Å; F74-W97 HydrophobicContact CB-CE3 3.73Å; F74-W97 HydrophobicContact CB-CH2 4.15Å; F74-W97 HydrophobicContact CB-CZ3 3.45Å; F74-W97 VanDerWaalsContact CB-CZ3 3.45Å; F74-W97 HydrophobicContact CD1-CE3 4.31Å; F74-W97 AromaticContact CD1-CH2 3.59Å; F74-W97 HydrophobicContact CD1-CH2 3.59Å; F74-W97 AromaticContact CD1-CZ3 3.24Å; F74-W97 HydrophobicContact CD1-CZ3 3.24Å; F74-W97 HydrophobicContact CD2-CE3 4.24Å; F74-W97 AromaticContact CD2-CZ3 3.79Å; F74-W97 HydrophobicContact CD2-CZ3 3.79Å; F74-W97 HydrophobicContact CE1-CH2 4.19Å; F74-W97 AromaticContact CE1-CZ3 3.85Å; F74-W97 HydrophobicContact CE1-CZ3 3.85Å; F74-W97 HydrophobicContact CE2-CZ3 4.33Å; F74-W97 AromaticContact CG-CE3 3.85Å; F74-W97 HydrophobicContact CG-CE3 3.85Å; F74-W97 AromaticContact CG-CH2 3.97Å; F74-W97 HydrophobicContact CG-CH2 3.97Å; F74-W97 AromaticContact CG-CZ3 3.19Å; F74-W97 HydrophobicContact CG-CZ3 3.19Å; F74-W97 HydrophobicContact CZ-CZ3 4.35Å; S95-W97 PolarHBondContact O-N 2.88Å; S95-W97 PolarHBondContact OG-N 3.24Å
98F92.4Very high91.9Very high73 Ų7385.5 Ų85.532%0.3246%0.463SS..G310 helixtrans-99.25.7176.5-72.9-84000113F74 W92 S95 N96 L100F74-F98 AromaticContact CD2-CE2 3.76Å; F74-F98 HydrophobicContact CD2-CE2 3.76Å; F74-F98 AromaticContact CD2-CZ 3.83Å; F74-F98 HydrophobicContact CD2-CZ 3.83Å; F74-F98 HydrophobicContact CE1-CZ 4.45Å; F74-F98 AromaticContact CE2-CE2 3.8Å; F74-F98 HydrophobicContact CE2-CE2 3.8Å; F74-F98 AromaticContact CE2-CZ 3.48Å; F74-F98 HydrophobicContact CE2-CZ 3.48Å; F74-F98 VanDerWaalsContact CE2-CZ 3.48Å; F74-F98 HydrophobicContact CG-CE2 4.48Å; F74-F98 HydrophobicContact CG-CZ 4.45Å; F74-F98 AromaticContact CZ-CZ 3.82Å; F74-F98 HydrophobicContact CZ-CZ 3.82Å; W92-F98 HydrophobicContact CB-CD2 4.18Å; W92-F98 HydrophobicContact CB-CE2 3.8Å; W92-F98 HydrophobicContact CE3-CE2 4.25Å; W92-F98 HydrophobicContact CG-CE2 4.38Å; W92-F98 WeakPolarHBondContact O-CD2 3.38Å; S95-F98 PolarHBondContact O-N 3.4Å; N96-F98 PolarHBondContact O-N 2.98Å; F98-L100 PolarHBondContact O-N 3.19Å
99N91Very high91.5Very high50 Ų5085.8 Ų85.827%0.26746%0.464SS..  trans-70.7121.9176.6-176.2-7.4000110.5N96 N101 N104N96-N99 WeakPolarHBondContact O-CB 3.46Å; N96-N99 PolarHBondContact O-N 3.33Å; N96-N99 PolarHBondContact OD1-ND2 3.02Å; N99-N101 VanDerWaalsContact C-N 3.31Å; N99-N101 PolarHBondContact ND2-ND2 3.25Å; N99-N101 PolarHBondContact O-N 3.17Å; N99-N101 WeakPolarHBondContact OD1-CB 3.38Å; N99-N101 PolarHBondContact OD1-N 3.04Å; N99-N101 PolarHBondContact OD1-ND2 2.69Å; N99-N101 PolarHBondContact OD1-OD1 3.29Å; N99-N104 PolarHBondContact O-ND2 3.2Å
100L90Very high91.2Very high151 Ų15184.9 Ų84.979%0.79146%0.463SS*.  trans-88.38.9-176.2-61.6178.3000114.2F98 A102F98-L100 PolarHBondContact O-N 3.19Å; L100-A102 PolarHBondContact O-N 2.95Å
101N92.8Very high90.9Very high100 Ų10083.3 Ų83.354%0.53546%0.457SS..  trans-57.1139.2173.5-68.4-10.8000111.2N99 D103 N104 V105N99-N101 VanDerWaalsContact C-N 3.31Å; N99-N101 PolarHBondContact ND2-ND2 3.25Å; N99-N101 PolarHBondContact O-N 3.17Å; N99-N101 WeakPolarHBondContact OD1-CB 3.38Å; N99-N101 PolarHBondContact OD1-N 3.04Å; N99-N101 PolarHBondContact OD1-ND2 2.69Å; N99-N101 PolarHBondContact OD1-OD1 3.29Å; N101-D103 VanDerWaalsContact C-N 3.29Å; N101-D103 PolarHBondContact O-N 3Å; N101-N104 WeakPolarHBondContact O-CA 3.38Å; N101-N104 WeakPolarHBondContact O-CB 3.45Å; N101-N104 PolarHBondContact O-N 3.26Å; N101-V105 PolarHBondContact O-N 3.08Å
102A91.8Very high90.5Very high68 Ų6885.3 Ų85.356%0.56247%0.471SS*.Hα-helixtrans-52.7-44.1-174.200000113.1L100 N104 V105 N106L100-A102 PolarHBondContact O-N 2.95Å; A102-N104 VanDerWaalsContact C-N 3.32Å; A102-N104 PolarHBondContact O-N 3.27Å; A102-V105 PolarHBondContact O-N 3.42Å; A102-N106 WeakPolarHBondContact O-CB 3.25Å; A102-N106 PolarHBondContact O-N 3.19Å; A102-N106 PolarHBondContact O-ND2 3.32Å
103D92.6Very high90.1Very high125 Ų12587.8 Ų87.867%0.66849%0.485SS*.Hα-helixtrans-61.7-40.3178.3-62-30.7000112.3N101 N107N101-D103 VanDerWaalsContact C-N 3.29Å; N101-D103 PolarHBondContact O-N 3Å; D103-N107 WeakPolarHBondContact O-CB 3.08Å; D103-N107 PolarHBondContact O-N 3.5Å; D103-N107 PolarHBondContact O-ND2 3.22Å
104N91.6Very high89.6Confident20 Ų2085.3 Ų85.311%0.10748%0.475CS..Hα-helixtrans-69.9-43.2178.2-169.763.2000111N96 N99 N101 A102 N107 L108N96-N104 PolarHBondContact ND2-OD1 3.38Å; N96-N104 VanDerWaalsContact ND2-OD1 3.1Å; N96-N104 PolarHBondContact O-ND2 2.87Å; N96-N104 PolarHBondContact O-OD1 3.46Å; N99-N104 PolarHBondContact O-ND2 3.2Å; N101-N104 WeakPolarHBondContact O-CA 3.38Å; N101-N104 WeakPolarHBondContact O-CB 3.45Å; N101-N104 PolarHBondContact O-N 3.26Å; A102-N104 VanDerWaalsContact C-N 3.32Å; A102-N104 PolarHBondContact O-N 3.27Å; N104-N107 PolarHBondContact O-N 2.89Å; N104-L108 VanDerWaalsContact O-CG 3.27Å; N104-L108 WeakPolarHBondContact O-CG 3.43Å; N104-L108 PolarHBondContact O-N 3.06Å
105V90.6Very high89.2Confident57 Ų5782.1 Ų82.135%0.34546%0.461SS..Hα-helixtrans-59.7-49.7176175.30000110.3N101 A102 N107 L108 T109N101-V105 PolarHBondContact O-N 3.08Å; A102-V105 PolarHBondContact O-N 3.42Å; V105-N107 VanDerWaalsContact C-N 3.31Å; V105-N107 PolarHBondContact O-N 3.05Å; V105-L108 PolarHBondContact O-N 3.03Å; V105-T109 HydrophobicContact CG1-CG2 4.27Å; V105-T109 WeakPolarHBondContact O-CG2 3.5Å; V105-T109 PolarHBondContact O-N 3.03Å; V105-T109 PolarHBondContact O-OG1 3.5Å
106N91.2Very high88.7Confident101 Ų10184.8 Ų84.854%0.5447%0.473SS..Hα-helixtrans-57.3-43.1177.6-72.2-26000112.2A102 T109 S110A102-N106 WeakPolarHBondContact O-CB 3.25Å; A102-N106 PolarHBondContact O-N 3.19Å; A102-N106 PolarHBondContact O-ND2 3.32Å; N106-T109 WeakPolarHBondContact CA-OG1 3.44Å; N106-T109 PolarHBondContact O-N 3.28Å; N106-T109 PolarHBondContact O-OG1 3.34Å; N106-S110 PolarHBondContact O-N 3.02Å; N106-S110 VanDerWaalsContact O-N 3.08Å
107N88.7Confident88Confident114 Ų11480.6 Ų80.661%0.6145%0.45SS*.Hα-helixtrans-63.1-41.4175.6-75.3-33.4000112.1D103 N104 V105 S110D103-N107 WeakPolarHBondContact O-CB 3.08Å; D103-N107 PolarHBondContact O-N 3.5Å; D103-N107 PolarHBondContact O-ND2 3.22Å; N104-N107 PolarHBondContact O-N 2.89Å; V105-N107 VanDerWaalsContact C-N 3.31Å; V105-N107 PolarHBondContact O-N 3.05Å; N107-S110 WeakPolarHBondContact O-CB 3.47Å; N107-S110 PolarHBondContact O-OG 3.32Å
108L87.6Confident87.6Confident66 Ų6680.8 Ų80.835%0.34646%0.455SS..Hα-helixtrans-70.2-34.8178.7-69.8174.2000112.7N104 V105 S110N104-L108 VanDerWaalsContact O-CG 3.27Å; N104-L108 WeakPolarHBondContact O-CG 3.43Å; N104-L108 PolarHBondContact O-N 3.06Å; V105-L108 PolarHBondContact O-N 3.03Å; L108-S110 VanDerWaalsContact C-N 3.34Å
109T86.7Confident86.9Confident93 Ų9384 Ų8457%0.57147%0.469SS*.Hα-helixtrans-85.3-4.4179.357.50000113.7V105 N106 V111V105-T109 HydrophobicContact CG1-CG2 4.27Å; V105-T109 WeakPolarHBondContact O-CG2 3.5Å; V105-T109 PolarHBondContact O-N 3.03Å; V105-T109 PolarHBondContact O-OG1 3.5Å; N106-T109 WeakPolarHBondContact CA-OG1 3.44Å; N106-T109 PolarHBondContact O-N 3.28Å; N106-T109 PolarHBondContact O-OG1 3.34Å; T109-V111 PolarHBondContact O-N 3.11Å
110S89.1Confident86.3Confident87 Ų8785 Ų8561%0.60848%0.48SS*.THydrogen-bonded Turntrans-61.9-25.8178.566.90000113.8N106 N107 L108N106-S110 PolarHBondContact O-N 3.02Å; N106-S110 VanDerWaalsContact O-N 3.08Å; N107-S110 WeakPolarHBondContact O-CB 3.47Å; N107-S110 PolarHBondContact O-OG 3.32Å; L108-S110 VanDerWaalsContact C-N 3.34Å
111V87.6Confident85.6Confident77 Ų7778.8 Ų78.847%0.46745%0.448SS..SBendtrans-102.3114.1180-178.60000110.3R66 T109 I113R66-V111 HydrophobicContact CB-CG1 4.34Å; T109-V111 PolarHBondContact O-N 3.11Å; V111-I113 PolarHBondContact O-N 3.21Å
112I87.2Confident85Confident141 Ų14180.3 Ų80.372%0.72345%0.45SS*.PPolyproline II helixtrans-77.3122.8177.6-56.7174.8000110.5R66R66-I112 PolarHBondContact NH1-O 3.46Å; R66-I112 VanDerWaalsContact NH1-O 3.13Å
113I84.7Confident84.4Confident73 Ų7381.7 Ų81.737%0.37445%0.448SS..PPolyproline II helixtrans-102.2118.6176.1-56.5177.6000109R66 F67 V111 T115R66-I113 HydrophobicContact CB-CG1 4.35Å; F67-I113 HydrophobicContact CD1-CD1 4.28Å; F67-I113 HydrophobicContact CE1-CD1 3.91Å; F67-I113 HydrophobicContact CE2-CD1 4.18Å; F67-I113 HydrophobicContact CZ-CD1 3.86Å; V111-I113 PolarHBondContact O-N 3.21Å; I113-T115 PolarHBondContact O-N 2.85Å
114P84.4Confident83.7Confident56 Ų5678.4 Ų78.436%0.36444%0.437SS..PPolyproline II helixtrans-62.5133.8178.5-23.634.9000111.4N116P114-N116 VanDerWaalsContact CB-OD1 3.27Å; P114-N116 WeakPolarHBondContact CB-OD1 3.08Å
115T83.6Confident83.1Confident76 Ų7682.3 Ų82.347%0.46646%0.458SS..  trans-97.84.1-178.659.10000113.5I113 L117 L118 K119I113-T115 PolarHBondContact O-N 2.85Å; T115-L117 PolarHBondContact O-N 2.87Å; T115-L118 HydrophobicContact CG2-CD1 4.12Å; T115-L118 WeakPolarHBondContact O-CA 3.41Å; T115-L118 WeakPolarHBondContact O-CB 3.37Å; T115-L118 PolarHBondContact O-N 3.06Å; T115-K119 PolarHBondContact O-N 3.39Å; T115-K119 VanDerWaalsContact O-N 3.12Å
116N79.8Confident82.5Confident93 Ų9383 Ų8350%0.49746%0.46SS..Hα-helixtrans-51.9-43.8-179.759-46.1000111.9P114 L118 K119P114-N116 VanDerWaalsContact CB-OD1 3.27Å; P114-N116 WeakPolarHBondContact CB-OD1 3.08Å; N116-L118 VanDerWaalsContact C-N 3.35Å; N116-K119 PolarHBondContact O-N 3.29Å
117L75.2Confident81.7Confident12 Ų1284.3 Ų84.36%0.06346%0.462CS..Hα-helixtrans-72.4-26.7177.3-65.2-170.2000113.7L3 E8 N9 T115 K119 C121L3-L117 HydrophobicContact CD1-CD1 4.3Å; L3-L117 HydrophobicContact CD2-CB 3.91Å; L3-L117 HydrophobicContact CD2-CD2 4.08Å; L3-L117 HydrophobicContact CD2-CG 4.4Å; L3-L117 HydrophobicContact CG-CB 3.85Å; L3-L117 HydrophobicContact CG-CD1 3.89Å; L3-L117 HydrophobicContact CG-CD2 4.18Å; L3-L117 HydrophobicContact CG-CG 4.18Å; E8-L117 VanDerWaalsContact N-CD1 3.29Å; N9-L117 HydrophobicContact CB-CD2 4.34Å; T115-L117 PolarHBondContact O-N 2.87Å; L117-K119 VanDerWaalsContact C-N 3.34Å; L117-C121 PolarHBondContact O-N 2.86Å
118L80.9Confident80.8Confident63 Ų6382.5 Ų82.533%0.3345%0.449SS..Hα-helixtrans-69-38.1176.4-50.6-165000110.8L4 T115 N116 C121 K122L4-L118 HydrophobicContact CB-CD2 4.02Å; L4-L118 HydrophobicContact CD2-CD1 4.38Å; L4-L118 HydrophobicContact CD2-CD2 3.32Å; L4-L118 HydrophobicContact CD2-CG 4.27Å; L4-L118 HydrophobicContact CG-CD2 3.73Å; T115-L118 HydrophobicContact CG2-CD1 4.12Å; T115-L118 WeakPolarHBondContact O-CA 3.41Å; T115-L118 WeakPolarHBondContact O-CB 3.37Å; T115-L118 PolarHBondContact O-N 3.06Å; N116-L118 VanDerWaalsContact C-N 3.35Å; L118-C121 PolarHBondContact O-N 2.95Å; L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 PolarHBondContact O-N 2.95Å
119K78.8Confident79.8Confident142 Ų14283.2 Ų83.262%0.61746%0.456SS*.Hα-helixtrans-60.6-46.9177.6-66.6-176.3180-175.90111.7T115 N116 L117 C121 K122 I123T115-K119 PolarHBondContact O-N 3.39Å; T115-K119 VanDerWaalsContact O-N 3.12Å; N116-K119 PolarHBondContact O-N 3.29Å; L117-K119 VanDerWaalsContact C-N 3.34Å; K119-C121 PolarHBondContact O-N 3.43Å; K119-K122 WeakPolarHBondContact O-CB 3.49Å; K119-K122 PolarHBondContact O-N 2.75Å; K119-K122 VanDerWaalsContact O-N 3.17Å; K119-I123 WeakPolarHBondContact O-CG1 3.42Å; K119-I123 PolarHBondContact O-N 3.38Å
120S77Confident78.4Confident70 Ų7086.5 Ų86.549%0.4947%0.465SS..Hα-helixtrans-62.5-41.2176.9-54.40000112.2K122 A124S120-K122 VanDerWaalsContact C-N 3.34Å; S120-A124 PolarHBondContact O-N 3.45Å
121C76.8Confident76.9Confident20 Ų2085.6 Ų85.614%0.13546%0.459CS..Hα-helixtrans-64.5-37.2173.6-78.10000112.9L3 L117 L118 K119 L125L3-C121 VanDerWaalsContact CB-SG 3.57Å; L3-C121 VanDerWaalsContact CD2-SG 3.51Å; L117-C121 PolarHBondContact O-N 2.86Å; L118-C121 PolarHBondContact O-N 2.95Å; K119-C121 PolarHBondContact O-N 3.43Å; C121-L125 WeakPolarHBondContact O-CB 3.46Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 3.1Å
122K79.3Confident75.4Confident132 Ų13286.8 Ų86.857%0.57446%0.456SS*.Hα-helixtrans-64.3-49.7178-169.8-167.4173.7-156.60110.7L118 K119 S120 A124 L125 D126L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 PolarHBondContact O-N 2.95Å; K119-K122 WeakPolarHBondContact O-CB 3.49Å; K119-K122 PolarHBondContact O-N 2.75Å; K119-K122 VanDerWaalsContact O-N 3.17Å; S120-K122 VanDerWaalsContact C-N 3.34Å; K122-A124 VanDerWaalsContact C-N 3.29Å; K122-A124 PolarHBondContact O-N 2.93Å; K122-L125 CarbonylContact O-C 3.6Å; K122-L125 WeakPolarHBondContact O-CA 3.34Å; K122-L125 WeakPolarHBondContact O-CB 3.41Å; K122-L125 PolarHBondContact O-N 3.49Å; K122-D126 VanDerWaalsContact CE-OD2 3.3Å; K122-D126 WeakPolarHBondContact CE-OD2 3.36Å; K122-D126 IonicContact NZ-OD2 3.89Å; K122-D126 VanDerWaalsContact O-CG 3.29Å; K122-D126 PolarHBondContact O-N 2.95Å
123I78.9Confident73.8Confident98 Ų9886.1 Ų86.150%0.50345%0.454SS..Hα-helixtrans-56.9-44.9178.3-65.5165.1000110.9K119 L125 D126 Q127K119-I123 WeakPolarHBondContact O-CG1 3.42Å; K119-I123 PolarHBondContact O-N 3.38Å; I123-L125 VanDerWaalsContact C-N 3.28Å; I123-L125 PolarHBondContact O-N 3.27Å; I123-D126 PolarHBondContact O-N 3.39Å; I123-Q127 WeakPolarHBondContact O-CB 3.45Å; I123-Q127 VanDerWaalsContact O-CG 3.3Å; I123-Q127 WeakPolarHBondContact O-CG 3.1Å; I123-Q127 PolarHBondContact O-N 2.98Å
124A78.4Confident72.2Confident55 Ų5590.1 Ų90.146%0.45548%0.476SS..Hα-helixtrans-65.8-28.4177.400000113.6S120 K122S120-A124 PolarHBondContact O-N 3.45Å; K122-A124 VanDerWaalsContact C-N 3.29Å; K122-A124 PolarHBondContact O-N 2.93Å
125L78.3Confident70.9Confident102 Ų10293.4 Ų93.453%0.53449%0.486SS..Hα-helixtrans-79.3-42.1174.7-78.7167.9000111.8C121 K122 I123 Q127 K128 T129C121-L125 WeakPolarHBondContact O-CB 3.46Å; C121-L125 WeakPolarHBondContact O-CG 3.45Å; C121-L125 PolarHBondContact O-N 3.1Å; K122-L125 CarbonylContact O-C 3.6Å; K122-L125 WeakPolarHBondContact O-CA 3.34Å; K122-L125 WeakPolarHBondContact O-CB 3.41Å; K122-L125 PolarHBondContact O-N 3.49Å; I123-L125 VanDerWaalsContact C-N 3.28Å; I123-L125 PolarHBondContact O-N 3.27Å; L125-Q127 VanDerWaalsContact C-N 3.35Å; L125-Q127 PolarHBondContact O-N 3.39Å; L125-K128 CarbonylContact O-C 3.58Å; L125-K128 WeakPolarHBondContact O-CA 3.5Å; L125-K128 VanDerWaalsContact O-CB 3.32Å; L125-K128 WeakPolarHBondContact O-CB 3.27Å; L125-K128 PolarHBondContact O-N 3.08Å; L125-T129 PolarHBondContact O-N 3.38Å; L125-T129 PolarHBondContact O-OG1 3.39Å
126D78Confident69.6Low72 Ų7294.8 Ų94.839%0.38550%0.495SS..Hα-helixtrans-61.8-44.6179.3-66.7-14.3000110K122 I123 K128 T129 E130K122-D126 VanDerWaalsContact CE-OD2 3.3Å; K122-D126 WeakPolarHBondContact CE-OD2 3.36Å; K122-D126 IonicContact NZ-OD2 3.89Å; K122-D126 VanDerWaalsContact O-CG 3.29Å; K122-D126 PolarHBondContact O-N 2.95Å; I123-D126 PolarHBondContact O-N 3.39Å; D126-K128 PolarHBondContact O-N 3.28Å; D126-T129 PolarHBondContact O-N 3.5Å; D126-E130 PolarHBondContact O-N 3.07Å; D126-E130 VanDerWaalsContact O-N 3.13Å
127Q75.9Confident68.4Low128 Ų12899.1 Ų99.160%0.59851%0.512SS*.Hα-helixtrans-59.2-32172.6-73174.4-12.200113.1I123 L125I123-Q127 WeakPolarHBondContact O-CB 3.45Å; I123-Q127 VanDerWaalsContact O-CG 3.3Å; I123-Q127 WeakPolarHBondContact O-CG 3.1Å; I123-Q127 PolarHBondContact O-N 2.98Å; L125-Q127 VanDerWaalsContact C-N 3.35Å; L125-Q127 PolarHBondContact O-N 3.39Å
128K69.9Low67.3Low77 Ų77107 Ų10734%0.33555%0.549SS..Hα-helixtrans-74.2-46.6176.4-172.7177.2-177.8175.90110.2I51 L125 D126 E130 S131 Y132I51-K128 HydrophobicContact CD1-CD 3.96Å; I51-K128 HydrophobicContact CD1-CG 4.49Å; L125-K128 CarbonylContact O-C 3.58Å; L125-K128 WeakPolarHBondContact O-CA 3.5Å; L125-K128 VanDerWaalsContact O-CB 3.32Å; L125-K128 WeakPolarHBondContact O-CB 3.27Å; L125-K128 PolarHBondContact O-N 3.08Å; D126-K128 PolarHBondContact O-N 3.28Å; K128-E130 VanDerWaalsContact C-N 3.27Å; K128-E130 PolarHBondContact O-N 3.3Å; K128-S131 WeakPolarHBondContact O-CA 3.36Å; K128-S131 VanDerWaalsContact O-CB 3.3Å; K128-S131 WeakPolarHBondContact O-CB 3.41Å; K128-S131 PolarHBondContact O-N 3.22Å; K128-Y132 HydrophobicContact CD-CD2 4.44Å; K128-Y132 HydrophobicContact CD-CE2 3.82Å; K128-Y132 WeakPolarHBondContact CE-OH 3.37Å; K128-Y132 HydrophobicContact CG-CD2 3.63Å; K128-Y132 HydrophobicContact CG-CE2 3.36Å; K128-Y132 PolarHBondContact NZ-OH 3.19Å; K128-Y132 VanDerWaalsContact O-CD2 3.24Å; K128-Y132 WeakPolarHBondContact O-CD2 3.43Å; K128-Y132 PolarHBondContact O-N 2.97Å
129T64.7Low66.2Low80 Ų80110.3 Ų110.349%0.49157%0.566SS.*Hα-helixtrans-62.3-33.7-177.9-59.50000112.6L125 D126 S131 Y132L125-T129 PolarHBondContact O-N 3.38Å; L125-T129 PolarHBondContact O-OG1 3.39Å; D126-T129 PolarHBondContact O-N 3.5Å; T129-S131 PolarHBondContact O-N 2.94Å; T129-Y132 PolarHBondContact O-N 2.89Å; T129-Y132 VanDerWaalsContact O-N 3.13Å
130E59.2Low64.5Low162 Ų162111 Ų11176%0.75757%0.571SS**Hα-helixtrans-59.6-28.5171.6-71.4178.9-179.200112.8D126 K128D126-E130 PolarHBondContact O-N 3.07Å; D126-E130 VanDerWaalsContact O-N 3.13Å; K128-E130 VanDerWaalsContact C-N 3.27Å; K128-E130 PolarHBondContact O-N 3.3Å
131S56.8Low63.9Low69 Ų69116 Ų11648%0.48358%0.584SS.*Hα-helixtrans-84.7-22.8175.6-175.70000114.1K128 T129K128-S131 WeakPolarHBondContact O-CA 3.36Å; K128-S131 VanDerWaalsContact O-CB 3.3Å; K128-S131 WeakPolarHBondContact O-CB 3.41Å; K128-S131 PolarHBondContact O-N 3.22Å; T129-S131 PolarHBondContact O-N 2.94Å
132Y55.5Low62.3Low101 Ų101127.4 Ų127.440%0.39663%0.632SS.*Hα-helixtrans-87.3-15.7-173.1-90.5-98.3000114.2K128 T129 D134 E135K128-Y132 HydrophobicContact CD-CD2 4.44Å; K128-Y132 HydrophobicContact CD-CE2 3.82Å; K128-Y132 WeakPolarHBondContact CE-OH 3.37Å; K128-Y132 HydrophobicContact CG-CD2 3.63Å; K128-Y132 HydrophobicContact CG-CE2 3.36Å; K128-Y132 PolarHBondContact NZ-OH 3.19Å; K128-Y132 VanDerWaalsContact O-CD2 3.24Å; K128-Y132 WeakPolarHBondContact O-CD2 3.43Å; K128-Y132 PolarHBondContact O-N 2.97Å; T129-Y132 PolarHBondContact O-N 2.89Å; T129-Y132 VanDerWaalsContact O-N 3.13Å; Y132-D134 PolarHBondContact O-N 3.23Å; Y132-D134 VanDerWaalsContact O-N 3.13Å; Y132-E135 PolarHBondContact O-N 2.97Å; Y132-E135 VanDerWaalsContact O-N 3.09Å
133N53.1Low61.4Low128 Ų128127.2 Ų127.268%0.68464%0.635SS**THydrogen-bonded Turntrans-62.6-18.4177.7-73.5-19.8000112.6
134D52.2Low60.5Low157 Ų157128.7 Ų128.784%0.8464%0.642SS**THydrogen-bonded Turntrans-86.9-22.1173.8-104.8-9.4000114.3Y132Y132-D134 PolarHBondContact O-N 3.23Å; Y132-D134 VanDerWaalsContact O-N 3.13Å
135E57.3Low59.5Low124 Ų124132.8 Ų132.858%0.57965%0.653SS**THydrogen-bonded Turntrans-102-3-166.8-64.7-169.716900114.7Y132 E137Y132-E135 PolarHBondContact O-N 2.97Å; Y132-E135 VanDerWaalsContact O-N 3.09Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-E137 PolarHBondContact O-N 3.27Å
136T56.9Low58.4Low105 Ų105134.6 Ų134.664%0.64466%0.66SS**G310 helixtrans-80.9-6-17550.20000115.1
137E53Low57.2Low185 Ų185138.6 Ų138.686%0.86468%0.677SS**G310 helixtrans-77.9-16.7179.4-69.1-157160.600114.8E135E135-E137 VanDerWaalsContact C-N 3.33Å; E135-E137 PolarHBondContact O-N 3.27Å
138E53.4Low56Low177 Ų177139.3 Ų139.383%0.82768%0.682SS**G310 helixtrans-115.727.9-169.7-80.9-157.4171.100116.6Q140E138-Q140 PolarHBondContact O-N 3.25Å
139L57.1Low55Low132 Ų132143.7 Ų143.769%0.69171%0.707SS**  trans-8462.4162.8-69.7179.6000111.3F141L139-F141 HydrophobicContact CB-CD2 4.44Å; L139-F141 HydrophobicContact CB-CE2 3.89Å; L139-F141 HydrophobicContact CB-CZ 4.43Å; L139-F141 HydrophobicContact CD1-CE2 4.36Å; L139-F141 HydrophobicContact CD1-CZ 4.4Å; L139-F141 HydrophobicContact CD2-CE2 4.45Å; L139-F141 HydrophobicContact CD2-CZ 4.14Å; L139-F141 HydrophobicContact CG-CE2 4.47Å; L139-F141 PolarHBondContact O-N 3.03Å
140Q43.7Very low54.2Low157 Ų157148.6 Ų148.673%0.73472%0.724SS**  trans-77.698.5158.4-73.5-170.8-9.100108.3E138 F142E138-Q140 PolarHBondContact O-N 3.25Å; Q140-F142 PolarHBondContact O-N 3.31Å
141F63.4Low53.8Low174 Ų174147.5 Ų147.576%0.76372%0.721SS**  trans-74.7104.7162.8-63-82.3000107.1L139L139-F141 HydrophobicContact CB-CD2 4.44Å; L139-F141 HydrophobicContact CB-CE2 3.89Å; L139-F141 HydrophobicContact CB-CZ 4.43Å; L139-F141 HydrophobicContact CD1-CE2 4.36Å; L139-F141 HydrophobicContact CD1-CZ 4.4Å; L139-F141 HydrophobicContact CD2-CE2 4.45Å; L139-F141 HydrophobicContact CD2-CZ 4.14Å; L139-F141 HydrophobicContact CG-CE2 4.47Å; L139-F141 PolarHBondContact O-N 3.03Å
142F43.4Very low53.5Low261 Ų261154.6 Ų154.6100%1.14574%0.743SS**  trans-55.70168.3-69.2-79.3000111.8Q140Q140-F142 PolarHBondContact O-N 3.31Å

Retrieved 142 of 142 residues in 46.9 ms (Link to these results)