A0A3Q0KFW6_SCHMA Loading...

Nanos-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KFW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 320 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.9Very low24.5Very low242 Ų242180.1 Ų180.1100%1.19287%0.872SS**  0101.10-76.1179.6-84.200108.7
2M25.6Very low24.4Very low195 Ų195177.8 Ų177.896%0.96187%0.867SS**  trans177.2111.2159.5-107.1178.5166.100105.5
3L20.7Very low24.4Very low167 Ų167176.5 Ų176.587%0.87487%0.866SS**  trans-131.5118179.9-79.4166.4000106.6
4D21.3Very low24.6Very low117 Ų117181.2 Ų181.263%0.62687%0.87SS**  trans-174.9117.3136.3-107.2-33.1000111.3R6D4-R6 WeakPolarHBondContact OD1-CG 3.31Å; D4-R6 IonicContact OD1-NE 2.7Å; D4-R6 PolarHBondContact OD1-NE 2.74Å
5F24.8Very low24.5Very low207 Ų207177.5 Ų177.591%0.90887%0.87SS**  trans-141.960.3154.4-102.6-73.3000108.4R7F5-R7 VanDerWaalsContact C-N 3.35Å; F5-R7 PolarHBondContact O-N 2.69Å
6R23.1Very low24.8Very low214 Ų214173.6 Ų173.681%0.80886%0.86SS**  trans-66.987.6174.6-71.6176.5-172-134.62.8111.1D4D4-R6 WeakPolarHBondContact OD1-CG 3.31Å; D4-R6 IonicContact OD1-NE 2.7Å; D4-R6 PolarHBondContact OD1-NE 2.74Å
7R24.5Very low25Very low242 Ų242174.6 Ų174.691%0.91386%0.862SS**  trans169.568.5142-92.1161.5-176.4-163.92.4113.3F5F5-R7 VanDerWaalsContact C-N 3.35Å; F5-R7 PolarHBondContact O-N 2.69Å
8T23.7Very low25Very low130 Ų130175.8 Ų175.880%0.79886%0.861SS**  trans-142.7118.3153.330.60000108.3
9P23.7Very low24.9Very low120 Ų120171.6 Ų171.678%0.77985%0.851SS**  -141115.6122.933.5-18.8000112
10C25.3Very low25Very low133 Ų133172.3 Ų172.390%0.89985%0.852SS**  trans-139.444.1160.2-76.80000109.8
11Y24.7Very low25.1Very low214 Ų214170.4 Ų170.484%0.83985%0.85SS**  trans-90.6173143.5-98.8-106.1000107.5
12D23.3Very low24.8Very low152 Ų152164.3 Ų164.381%0.81383%0.831SS**  trans70.253177.6-52.4-25.3000116.8
13L24.9Very low24.8Very low162 Ų162162.3 Ų162.385%0.84882%0.824SS**SBendtrans-149.458.6151.2-150.780.1000115.2
14W26.2Very low25.1Very low242 Ų242162.4 Ų162.492%0.91782%0.82SS**  trans-170.179.9146.8-96.43.3000111.7
15S24.3Very low25.3Very low125 Ų125164.2 Ų164.287%0.87483%0.83SS**  trans-121.470.8164.3-79.80000109.7
16T28.1Very low25.3Very low115 Ų115160.2 Ų160.271%0.70682%0.822SS**  trans-126.294.9174.244.10000110.7
17Q28.2Very low25.3Very low192 Ų192155.5 Ų155.590%0.89782%0.822SS**  trans53122.4155.7-72.2168.6-48.200119.8
18K25.4Very low25.2Very low196 Ų196154 Ų15485%0.85282%0.817SS**  trans-62.8148.3155.3-67.4177173.4-179.90110.3
19S24.2Very low25.2Very low96 Ų96154.4 Ų154.467%0.67182%0.82SS**  trans10.7125.5148.958.40000119
20E25.8Very low25.2Very low184 Ų184151 Ų15186%0.8681%0.806SS**  -176.895.7107.8-98.9166.1-148.400111.3
21V27.4Very low25.2Very low133 Ų133150.3 Ų150.381%0.80680%0.802SS**  trans-140.3119.8156179.70000107
22S26Very low25.3Very low115 Ų115145.2 Ų145.280%0.80480%0.804SS**  trans-91.6112.4166.853.80000108.8
23D25.8Very low25.5Very low153 Ų153140.9 Ų140.982%0.81880%0.795SS**  trans-149.5150162.3-108.5-39.7000110.1
24E26.9Very low25.9Very low169 Ų169142.1 Ų142.179%0.7979%0.79SS**SBendtrans-87153.3-168.4-58.6-179161.200112.1
25N25.5Very low26.3Very low155 Ų155135.5 Ų135.583%0.82977%0.771SS**  trans75.548.3171.8-48.2-74000118.3
26V23.7Very low26.7Very low123 Ų123133.1 Ų133.175%0.74575%0.753SS**  trans-126.9100.1156.2-175.70000111.2Y28V26-Y28 HydrophobicContact CG1-CD2 4.33Å; V26-Y28 PolarHBondContact O-N 2.66Å; V26-Y28 VanDerWaalsContact O-N 3.09Å
27S23.3Very low27.1Very low114 Ų114132.1 Ų132.180%0.79775%0.75SS**  trans-79.28617357.60000110.9V29S27-V29 PolarHBondContact O-N 2.72Å; S27-V29 VanDerWaalsContact O-N 3.16Å
28Y22.1Very low27.4Very low210 Ų210127.9 Ų127.982%0.82473%0.733SS**  trans-69.4106.7178.7-141.8-82.9000110.9V26 G30V26-Y28 HydrophobicContact CG1-CD2 4.33Å; V26-Y28 PolarHBondContact O-N 2.66Å; V26-Y28 VanDerWaalsContact O-N 3.09Å; Y28-G30 PolarHBondContact O-N 2.82Å
29V24.1Very low28.1Very low140 Ų140120 Ų12085%0.84870%0.703SS**  trans-77.971.1171.8-173.10000108.9S27S27-V29 PolarHBondContact O-N 2.72Å; S27-V29 VanDerWaalsContact O-N 3.16Å
30G23.4Very low28.9Very low48 Ų48121.1 Ų121.150%0.49570%0.701SS.*  trans-74.1127.3174.800000111.1Y28 A32Y28-G30 PolarHBondContact O-N 2.82Å; G30-A32 PolarHBondContact O-N 3.18Å; G30-A32 VanDerWaalsContact O-N 3.11Å
31C26.3Very low29.7Very low119 Ų119116.8 Ų116.880%0.80469%0.689SS**  trans-58.3114.4173-64.90000110.2
32A26.6Very low30.3Very low106 Ų106112.6 Ų112.688%0.87666%0.662SS**  trans-81.8133.4-171.600000112.8G30G30-A32 PolarHBondContact O-N 3.18Å; G30-A32 VanDerWaalsContact O-N 3.11Å
33G27.9Very low31.3Very low61 Ų61109.4 Ų109.463%0.62964%0.635SS**  trans90.370.2155.600000117.4I35G33-I35 PolarHBondContact O-N 3.44Å
34Y31.8Very low32.3Very low188 Ų188106 Ų10674%0.73762%0.617SS**  trans-68112.3154-178.7-104.6000109P36Y34-P36 HydrophobicContact CD1-CG 3.97Å; Y34-P36 HydrophobicContact CE1-CB 4.28Å; Y34-P36 HydrophobicContact CE1-CG 3.78Å; Y34-P36 WeakPolarHBondContact O-CD 3.43Å
35I36.1Very low33.1Very low103 Ų103100.5 Ų100.553%0.52860%0.601SS.*  trans-109.1101.9179.9-59.7177.1000108.7G33 S37 L38G33-I35 PolarHBondContact O-N 3.44Å; I35-S37 VanDerWaalsContact C-N 3.35Å; I35-S37 PolarHBondContact O-N 2.97Å; I35-L38 HydrophobicContact CG2-CD1 4.42Å
36P31.9Very low33.9Very low75 Ų7593.6 Ų93.649%0.48756%0.564SS.*G310 helixtrans-67.2-32.8-173.9-18.930.1000113.9Y34 L38 C39Y34-P36 HydrophobicContact CD1-CG 3.97Å; Y34-P36 HydrophobicContact CE1-CB 4.28Å; Y34-P36 HydrophobicContact CE1-CG 3.78Å; Y34-P36 WeakPolarHBondContact O-CD 3.43Å; P36-L38 PolarHBondContact O-N 2.77Å; P36-C39 PolarHBondContact O-N 3.37Å
37S36.6Very low35.1Very low94 Ų9493 Ų9366%0.65756%0.556SS**G310 helixtrans-69.8-5.5-164.552.50000116.1I35I35-S37 VanDerWaalsContact C-N 3.35Å; I35-S37 PolarHBondContact O-N 2.97Å
38L34.1Very low36.4Very low104 Ų10494.7 Ų94.755%0.54555%0.549SS..G310 helixtrans-104.4-10.3178.7-73.4168.4000113.7I35 P36 L42I35-L38 HydrophobicContact CG2-CD1 4.42Å; P36-L38 PolarHBondContact O-N 2.77Å; L38-L42 VanDerWaalsContact O-CB 3.23Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å
39C40Very low37.2Very low31 Ų3188.6 Ų88.621%0.20953%0.53CS..Hα-helixtrans-70.3-46.8-173.7-72.10000113P36 L43P36-C39 PolarHBondContact O-N 3.37Å; C39-L43 WeakPolarHBondContact O-CB 3.41Å; C39-L43 PolarHBondContact O-N 3.23Å
40D42.5Very low38Very low119 Ų11987 Ų8764%0.63653%0.525SS*.Hα-helixtrans-73.5-47.9-167-54.9-49.9000115L42 L43 D44D40-L42 PolarHBondContact O-N 2.91Å; D40-L43 PolarHBondContact O-N 3.45Å; D40-D44 PolarHBondContact O-N 3.09Å
41P42.1Very low38.7Very low92 Ų9288.1 Ų88.160%0.59752%0.52SS*.Hα-helixtrans-65.4-33.4179.6-17.831.7000111.8A45P41-A45 WeakPolarHBondContact O-CB 3.26Å; P41-A45 PolarHBondContact O-N 3.13Å; P41-A45 VanDerWaalsContact O-N 3.1Å
42L39.4Very low38.9Very low46 Ų4687 Ų8724%0.24151%0.513CS..Hα-helixtrans-70.9-45.9177.5-173.895.1000111.4L38 D40 D44 A45 L46 I192 L245L38-L42 VanDerWaalsContact O-CB 3.23Å; L38-L42 WeakPolarHBondContact O-CB 3.29Å; D40-L42 PolarHBondContact O-N 2.91Å; L42-D44 VanDerWaalsContact C-N 3.31Å; L42-D44 PolarHBondContact O-N 3.16Å; L42-A45 PolarHBondContact O-N 3.47Å; L42-L46 HydrophobicContact CD2-CD1 3.69Å; L42-L46 HydrophobicContact CG-CD1 3.69Å; L42-L46 HydrophobicContact CG-CG 4.48Å; L42-L46 WeakPolarHBondContact O-CB 3.34Å; L42-L46 WeakPolarHBondContact O-CD1 3.44Å; L42-L46 VanDerWaalsContact O-CG 3.23Å; L42-L46 WeakPolarHBondContact O-CG 3.18Å; L42-L46 PolarHBondContact O-N 3.47Å; L42-I192 HydrophobicContact CD1-CD1 3.67Å; L42-I192 HydrophobicContact CD1-CG2 4.28Å; L42-I192 HydrophobicContact CD2-CD1 3.29Å; L42-I192 HydrophobicContact CD2-CG1 4.4Å; L42-I192 HydrophobicContact CG-CD1 4.03Å; L42-L245 HydrophobicContact CD2-CD2 3.96Å
43L48.2Very low39.1Very low48 Ų4885.8 Ų85.825%0.25150%0.496SS..Hα-helixtrans-59.2-42.7176.6176.151.4000111.3C39 D40 L46 N47 S244C39-L43 WeakPolarHBondContact O-CB 3.41Å; C39-L43 PolarHBondContact O-N 3.23Å; D40-L43 PolarHBondContact O-N 3.45Å; L43-L46 PolarHBondContact O-N 2.91Å; L43-N47 WeakPolarHBondContact O-CB 3.5Å; L43-N47 PolarHBondContact O-N 2.91Å; L43-N47 PolarHBondContact O-ND2 2.94Å; L43-S244 WeakPolarHBondContact CD1-OG 3.48Å
44D46.6Very low39Very low80 Ų8088.9 Ų88.943%0.42850%0.502SS..Hα-helixtrans-61.6-45.7173.617750.4000112.3D40 L42 L46 N47 K48D40-D44 PolarHBondContact O-N 3.09Å; L42-D44 VanDerWaalsContact C-N 3.31Å; L42-D44 PolarHBondContact O-N 3.16Å; D44-L46 VanDerWaalsContact C-N 3.29Å; D44-L46 PolarHBondContact O-N 3.26Å; D44-N47 PolarHBondContact O-N 2.88Å; D44-K48 VanDerWaalsContact CG-NZ 3.28Å; D44-K48 WeakPolarHBondContact O-CD 3.1Å; D44-K48 VanDerWaalsContact O-CG 3.31Å; D44-K48 WeakPolarHBondContact O-CG 3.26Å; D44-K48 PolarHBondContact O-N 2.77Å; D44-K48 VanDerWaalsContact O-N 3.17Å; D44-K48 WeakPolarHBondContact OD1-CE 3.35Å; D44-K48 IonicContact OD1-NZ 3.34Å; D44-K48 PolarHBondContact OD1-NZ 3.09Å; D44-K48 WeakPolarHBondContact OD2-CE 3.43Å; D44-K48 IonicContact OD2-NZ 3.3Å; D44-K48 PolarHBondContact OD2-NZ 3.43Å
45A43.2Very low38.7Very low54 Ų5483.7 Ų83.745%0.44649%0.494SS..Hα-helixtrans-60.8-35.3174.500000113.4P41 L42P41-A45 WeakPolarHBondContact O-CB 3.26Å; P41-A45 PolarHBondContact O-N 3.13Å; P41-A45 VanDerWaalsContact O-N 3.1Å; L42-A45 PolarHBondContact O-N 3.47Å
46L41.6Very low38.3Very low11 Ų1184.9 Ų84.96%0.05851%0.508CS..Hα-helixtrans-78.3-37.1179.5-70.6160.6000112.5L42 L43 D44 K48 L49 I192 L196 L245 I248L42-L46 HydrophobicContact CD2-CD1 3.69Å; L42-L46 HydrophobicContact CG-CD1 3.69Å; L42-L46 HydrophobicContact CG-CG 4.48Å; L42-L46 WeakPolarHBondContact O-CB 3.34Å; L42-L46 WeakPolarHBondContact O-CD1 3.44Å; L42-L46 VanDerWaalsContact O-CG 3.23Å; L42-L46 WeakPolarHBondContact O-CG 3.18Å; L42-L46 PolarHBondContact O-N 3.47Å; L43-L46 PolarHBondContact O-N 2.91Å; D44-L46 VanDerWaalsContact C-N 3.29Å; D44-L46 PolarHBondContact O-N 3.26Å; L46-K48 PolarHBondContact O-N 3.13Å; L46-L49 HydrophobicContact CD2-CD1 4.37Å; L46-L49 WeakPolarHBondContact O-CB 3.34Å; L46-L49 PolarHBondContact O-N 2.91Å; L46-L49 VanDerWaalsContact O-N 3.14Å; L46-I192 HydrophobicContact CD2-CG2 4.32Å; L46-L196 HydrophobicContact CD2-CD2 3.96Å; L46-L245 HydrophobicContact CD1-CD2 3.85Å; L46-I248 HydrophobicContact CB-CD1 3.92Å; L46-I248 HydrophobicContact CD1-CD1 3.62Å; L46-I248 HydrophobicContact CD2-CD1 3.86Å; L46-I248 HydrophobicContact CG-CD1 4Å
47N49.8Very low37.9Very low110 Ų11087.5 Ų87.559%0.58852%0.518SS*.Hα-helixtrans-61.8-34.4173.3-73.8-27.3000111.6L43 D44 L49 S50L43-N47 WeakPolarHBondContact O-CB 3.5Å; L43-N47 PolarHBondContact O-N 2.91Å; L43-N47 PolarHBondContact O-ND2 2.94Å; D44-N47 PolarHBondContact O-N 2.88Å; N47-L49 PolarHBondContact O-N 3.49Å; N47-S50 PolarHBondContact O-N 3.25Å
48K50.4Low37.4Very low149 Ų14994.6 Ų94.665%0.64853%0.53SS*.THydrogen-bonded Turntrans-64.7-14.5175.6-73.5163.3180169.10114.4D44 L46 S50D44-K48 VanDerWaalsContact CG-NZ 3.28Å; D44-K48 WeakPolarHBondContact O-CD 3.1Å; D44-K48 VanDerWaalsContact O-CG 3.31Å; D44-K48 WeakPolarHBondContact O-CG 3.26Å; D44-K48 PolarHBondContact O-N 2.77Å; D44-K48 VanDerWaalsContact O-N 3.17Å; D44-K48 WeakPolarHBondContact OD1-CE 3.35Å; D44-K48 IonicContact OD1-NZ 3.34Å; D44-K48 PolarHBondContact OD1-NZ 3.09Å; D44-K48 WeakPolarHBondContact OD2-CE 3.43Å; D44-K48 IonicContact OD2-NZ 3.3Å; D44-K48 PolarHBondContact OD2-NZ 3.43Å; L46-K48 PolarHBondContact O-N 3.13Å; K48-S50 VanDerWaalsContact C-N 3.31Å
49L39Very low37.1Very low82 Ų8297.7 Ų97.743%0.42955%0.547SS..THydrogen-bonded Turntrans-85.64.2176.1-65.6170.4000114.3L46 N47 I51 L196L46-L49 HydrophobicContact CD2-CD1 4.37Å; L46-L49 WeakPolarHBondContact O-CB 3.34Å; L46-L49 PolarHBondContact O-N 2.91Å; L46-L49 VanDerWaalsContact O-N 3.14Å; N47-L49 PolarHBondContact O-N 3.49Å; L49-I51 HydrophobicContact CB-CD1 4.39Å; L49-I51 HydrophobicContact CB-CG1 4.17Å; L49-I51 PolarHBondContact O-N 3.35Å; L49-L196 HydrophobicContact CD1-CD2 3.33Å
50S40.4Very low36.4Very low106 Ų106102.6 Ų102.674%0.74158%0.581SS**  trans49.232.7172.470.60000116.2N47 K48 S52N47-S50 PolarHBondContact O-N 3.25Å; K48-S50 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact O-N 2.93Å
51I39.1Very low35.4Very low73 Ų73100 Ų10037%0.37458%0.582SS.*  trans-72.273.6176.3-49.5179.3000109.8L49 L199L49-I51 HydrophobicContact CB-CD1 4.39Å; L49-I51 HydrophobicContact CB-CG1 4.17Å; L49-I51 PolarHBondContact O-N 3.35Å; I51-L199 HydrophobicContact CD1-CD1 3.98Å
52S30.5Very low34.7Very low96 Ų96101.1 Ų101.167%0.67158%0.583SS**  trans-66.2125.8176.2-172.10000109.9S50 V54S50-S52 PolarHBondContact O-N 2.93Å; S52-V54 PolarHBondContact O-N 3.02Å
53P29.3Very low34Very low80 Ų80102.3 Ų102.352%0.51961%0.605SS.*  trans-73.991.2179.130.2-33.8000109.8S55P53-S55 PolarHBondContact O-N 3.24Å; P53-S55 VanDerWaalsContact O-N 3.11Å
54V26.9Very low32.8Very low125 Ų125109.2 Ų109.276%0.75863%0.63SS**  trans-58.3115.3167.8-179.10000108.3S52S52-V54 PolarHBondContact O-N 3.02Å
55S24.4Very low31.8Very low79 Ų79114.3 Ų114.355%0.55265%0.651SS**  trans-53.7144.9179.6-59.70000111.5P53 D57P53-S55 PolarHBondContact O-N 3.24Å; P53-S55 VanDerWaalsContact O-N 3.11Å; S55-D57 PolarHBondContact O-N 3.03Å
56P27.6Very low30.9Very low129 Ų129118 Ų11884%0.83867%0.668SS**SBendtrans-71.523.8178.131.6-36000114.2R58P56-R58 PolarHBondContact O-N 3.33Å
57D24.9Very low30Very low130 Ų130120.7 Ų120.770%0.69570%0.698SS**  trans-94.668.6-177.1-70.4-57.2000112.1S55S55-D57 PolarHBondContact O-N 3.03Å
58R24.6Very low28.8Very low242 Ų242123 Ų12391%0.91371%0.71SS**  trans174.871.8151.1-95.7154-169.1-135.62.6112.3P56P56-R58 PolarHBondContact O-N 3.33Å
59L27.7Very low27.5Very low169 Ų169123.2 Ų123.289%0.88572%0.718SS**  trans-122.922.2160.1-91.6171.7000113.9G61L59-G61 VanDerWaalsContact C-N 3.34Å; L59-G61 PolarHBondContact O-N 3.19Å; L59-G61 VanDerWaalsContact O-N 3.11Å
60S25.4Very low26.8Very low134 Ų134127 Ų12794%0.93774%0.738SS**  trans-75.287156.8-61.20000108.7
61G23.4Very low26.1Very low64 Ų64128.1 Ų128.166%0.6674%0.74SS**  trans-167.130.3-165.900000117.3L59L59-G61 VanDerWaalsContact C-N 3.34Å; L59-G61 PolarHBondContact O-N 3.19Å; L59-G61 VanDerWaalsContact O-N 3.11Å
62I27.1Very low25.4Very low117 Ų117130.1 Ų130.160%0.676%0.758SS**  trans-132.390.8164.1-52.1-180000107.9Y64I62-Y64 HydrophobicContact CG2-CD2 4.01Å; I62-Y64 HydrophobicContact CG2-CE2 3.94Å
63G23.3Very low24.9Very low70 Ų70131.7 Ų131.772%0.72276%0.763SS**  trans-91.5113.7176.900000111.4
64Y23.5Very low24.7Very low193 Ų193134.3 Ų134.376%0.75778%0.777SS**  trans-140.2107.8155.2-63.3-73.1000107.3I62I62-Y64 HydrophobicContact CG2-CD2 4.01Å; I62-Y64 HydrophobicContact CG2-CE2 3.94Å
65H25.8Very low24.5Very low188 Ų188139 Ų13987%0.8778%0.781SS**  trans-176131.9132.1-92.6-63.5000109.3
66T24.2Very low24.6Very low132 Ų132141.1 Ų141.181%0.8179%0.786SS**  trans-50.9139.5176.243.70000116
67G21.9Very low24.5Very low66 Ų66140.2 Ų140.268%0.6878%0.78SS**  trans70129.1163.200000114.5
68D24.9Very low24.5Very low159 Ų159140 Ų14085%0.8578%0.779SS**  cis-158.9-175.234.8-88-32.9000112.4
69N23.6Very low24.7Very low154 Ų154133.2 Ų133.282%0.82477%0.769SS**  trans-71.6122.5-172.5-56.7-78.4000114.6
70I25.4Very low24.6Very low162 Ų162133.6 Ų133.683%0.83177%0.766SS**  trans-138.9127.2141-76.1100.8000108.9
71T24.8Very low24.7Very low128 Ų128132.7 Ų132.779%0.78576%0.755SS**  trans-95.9136.3168.3420000111
72P24Very low24.9Very low116 Ų116140.7 Ų140.775%0.75377%0.765SS**  trans-104.1108.1165.432-23.5000111.2
73V21.1Very low24.6Very low128 Ų128145 Ų14578%0.77678%0.775SS**  trans-70.8126165.5170.80000109.3
74V25Very low24.8Very low135 Ų135147.6 Ų147.682%0.81878%0.78SS**  trans-133134161.2-176.80000108.9
75R22.7Very low24.8Very low224 Ų224147.2 Ų147.285%0.84578%0.782SS**  trans-89.8144179.7-59.9173.3178.2170.4-2.4110.2
76N25Very low25Very low123 Ų123147.9 Ų147.966%0.65879%0.785SS**  trans-79.3153.6151.4-159.138.2000108.2D78N76-D78 PolarHBondContact ND2-N 2.9Å; N76-D78 PolarHBondContact ND2-OD1 3.07Å
77P27.1Very low25Very low111 Ų111146.9 Ų146.972%0.72178%0.783SS**  -145.9134.195.335.7-18.8000116
78D23.7Very low25.2Very low125 Ų125153.8 Ų153.867%0.66880%0.795SS**  trans26.7128.3132.4-47.6-38.9000121.4N76N76-D78 PolarHBondContact ND2-N 2.9Å; N76-D78 PolarHBondContact ND2-OD1 3.07Å
79S28.6Very low25.1Very low100 Ų100151.8 Ų151.870%0.69979%0.794SS**  -167.8114118.721.30000114
80H26.7Very low25.4Very low176 Ų176150.7 Ų150.782%0.81579%0.792SS**  trans62.3145.4144.9-54.2-49.4000120.2
81T27.3Very low25.3Very low115 Ų115151.4 Ų151.471%0.70679%0.792SS**  cis-154.3147.78.9-13.40000114.4
82R26.4Very low25.3Very low232 Ų232151.4 Ų151.488%0.87579%0.786SS**  trans71111.6140.9-152.9165-72-176-0.5121.3
83Y20.8Very low25.4Very low207 Ų207152.5 Ų152.581%0.81279%0.786SS**  trans-65.3175.9161.6-78.1-70.4000113.5
84P29.1Very low25.4Very low126 Ų126155.6 Ų155.682%0.81879%0.789SS**  cis-144-172.73043.8-22.4000119.2
85K23.6Very low25.4Very low184 Ų184157 Ų15780%0.879%0.792SS**  trans-83.4150178.6-47.7165.7-177.6173.80111.3
86E28.4Very low25.4Very low203 Ų203150.1 Ų150.195%0.94978%0.784SS**  trans-137169.4145.3-78.2-152157.200110.4
87S24.1Very low25.4Very low110 Ų110151.5 Ų151.577%0.76980%0.796SS**  trans-114155.4-165.956.60000113.7
88K27.2Very low25.1Very low211 Ų211156.5 Ų156.592%0.91780%0.8SS**  trans-164.2128.6140.8-105.7148.3-170.5171.40110.5
89S22.6Very low25.1Very low118 Ų118157.6 Ų157.683%0.82581%0.805SS**  trans-129.9143.2162.654.20000107.5
90T29.7Very low25Very low130 Ų130159.9 Ų159.980%0.79881%0.81SS**  trans-138.5125.4176.144.40000110.1
91H23.6Very low25Very low177 Ų177155.7 Ų155.782%0.81980%0.798SS**  trans-63.6160.1155.6-90.2-136.8000110.1
92L25.1Very low24.8Very low128 Ų128159.9 Ų159.967%0.6781%0.807SS**  cis-112.5-157.51.1-118.8166.3000107.9
93D25.4Very low24.6Very low139 Ų139152.4 Ų152.474%0.74380%0.803SS**  cis-136.5167.416.6-99.9-61.1000113.5
94F22Very low24.8Very low193 Ų193149.5 Ų149.585%0.84681%0.806SS**  trans-133.5126.2164.5-117.9-93.5000106.6
95D25.5Very low24.6Very low164 Ų164148.3 Ų148.388%0.87780%0.801SS**  trans-137.6141.2165.2-143.3-21.9000111.2
96A22Very low24.7Very low81 Ų81145 Ų14567%0.66980%0.798SS**  trans-132.388.3-159.500000112.3
97V24.8Very low24.4Very low151 Ų151141.4 Ų141.492%0.91579%0.785SS**  trans-83.1125.2167.7-1770000109.6
98R21.4Very low24.5Very low216 Ų216146.1 Ų146.182%0.81579%0.788SS**  trans-119.4147.7-170.6-151.3-175-160.6-1368.9109.4
99L23.8Very low24.4Very low148 Ų148144.2 Ų144.278%0.77578%0.784SS**  trans71.5138.6178.5-44.3170000111.9
100N25.1Very low24.4Very low148 Ų148146.4 Ų146.479%0.79178%0.781SS**  cis-148.6141.345-162.831000112.2
101P26.7Very low24.3Very low88 Ų88146.2 Ų146.257%0.57178%0.78SS**  trans-82.8159.3169.534.7-35.3000112.4
102F22.9Very low24.4Very low203 Ų203145.3 Ų145.389%0.8977%0.774SS**  trans58.593.2179.8-64-81.8000115.6
103G23.4Very low24.4Very low76 Ų76147.3 Ų147.378%0.78478%0.78SS**  trans-147.86517200000111.3S105G103-S105 PolarHBondContact O-N 3.22Å
104V24.3Very low24.5Very low146 Ų146148.7 Ų148.789%0.88579%0.788SS**  trans-81.5101.4175.2-178.70000108.5
105S24Very low24.6Very low101 Ų101146.7 Ų146.771%0.70679%0.785SS**  trans-106128.3167.6-169.50000109.3G103 N107G103-S105 PolarHBondContact O-N 3.22Å; S105-N107 PolarHBondContact O-N 2.71Å
106P26Very low24.7Very low115 Ų115143.9 Ų143.975%0.74778%0.777SS**  trans-84.295.2-174.532.8-33.1000111
107N23.6Very low24.8Very low126 Ų126144.3 Ų144.367%0.67479%0.789SS**  trans-152.667.9170.1-99-16.5000111.9S105S105-N107 PolarHBondContact O-N 2.71Å
108Y24.6Very low24.9Very low210 Ų210142.6 Ų142.682%0.82478%0.782SS**SBendtrans-13847.4172-159.9-100.7000111.8
109M25.7Very low25.2Very low171 Ų171136 Ų13684%0.84278%0.782SS**SBendtrans-138.4-12.6171.8-80.2-64.8151.300114.3T111M109-T111 PolarHBondContact O-N 3.31Å
110E23.5Very low25.3Very low163 Ų163137.9 Ų137.976%0.76279%0.786SS**THydrogen-bonded Turntrans-91.735.7-172-83-173.4159.400115
111T26.4Very low25.5Very low127 Ų127138.8 Ų138.878%0.77979%0.791SS**THydrogen-bonded Turntrans-142.812.6-177.9-16.50000116M109M109-T111 PolarHBondContact O-N 3.31Å
112F25.7Very low25.3Very low157 Ų157140.2 Ų140.269%0.68980%0.798SS**SBendtrans-119.9-9.6-179.7-99.3-80.7000116N114F112-N114 VanDerWaalsContact C-N 3.33Å; F112-N114 PolarHBondContact O-N 3.4Å
113E25.3Very low25.3Very low171 Ų171139.3 Ų139.380%0.79980%0.797SS**G310 helixtrans-74.1-19.1-174.6-61.8-168.1130.400114.4L115E113-L115 PolarHBondContact O-N 3.38Å
114N27.2Very low25.5Very low168 Ų168140.9 Ų140.990%0.89880%0.796SS**G310 helixtrans-90.616.3-174.8-72.8-45.9000115.4F112F112-N114 VanDerWaalsContact C-N 3.33Å; F112-N114 PolarHBondContact O-N 3.4Å
115L24.9Very low25.4Very low150 Ų150143.4 Ų143.479%0.78580%0.798SS**G310 helixtrans-127.84.6-178.6-86.4166.6000115.6E113E113-L115 PolarHBondContact O-N 3.38Å
116C26.7Very low25.5Very low106 Ų106146.6 Ų146.672%0.71681%0.805SS**  trans-125.887.5173.6-71.70000111.3C118C116-C118 PolarHBondContact O-N 3.46Å
117G24Very low25.3Very low89 Ų89152.4 Ų152.492%0.91881%0.812SS**  trans-72.466.6175.300000113.7
118C28.8Very low25.2Very low115 Ų115154.5 Ų154.578%0.77782%0.823SS**  trans-119.499.8171.2-67.70000109C116C116-C118 PolarHBondContact O-N 3.46Å
119G27.1Very low25.2Very low78 Ų78150.1 Ų150.180%0.80482%0.82SS**  trans-68.8144.4-172.800000113.8N121G119-N121 PolarHBondContact O-N 3.19Å
120H25.1Very low25Very low187 Ų187153.2 Ų153.287%0.86682%0.822SS**  trans-66.3129.7164.9-71.8-116.6000109.7
121N28.9Very low25.1Very low168 Ų168151 Ų15190%0.89883%0.825SS**  trans-141138.6156.9-103.1-27.8000108.8G119G119-N121 PolarHBondContact O-N 3.19Å
122T23.8Very low24.9Very low118 Ų118151.7 Ų151.772%0.72482%0.824SS**  trans-108.7167.7-176.850.20000111
123Q22.5Very low24.8Very low183 Ų183151.3 Ų151.386%0.85583%0.829SS**  trans76.299168.4-52.9-178.3-6.800118.7
124S27.7Very low24.7Very low110 Ų110150.4 Ų150.477%0.76983%0.828SS**  trans179.5109.2132.925.90000107.3
125E21.7Very low24.5Very low198 Ų198150.8 Ų150.893%0.92582%0.822SS**  54.976.680.3-70.8-144.6121.700114.9
126I26.7Very low24.3Very low168 Ų168149.3 Ų149.386%0.86282%0.824SS**  trans-130.6138.4154.9-60.6-176.4000108.6
127R22Very low24.2Very low237 Ų237151.7 Ų151.789%0.89482%0.824SS**PPolyproline II helixtrans-80.7142.3-172.1-66.1176175.8169.9-2.3113
128L20.7Very low24.1Very low171 Ų171152.4 Ų152.490%0.89582%0.815SS**PPolyproline II helixtrans-75.7129.1158.1-70.7167.2000110.4
129P24.8Very low23.8Very low117 Ų117153.1 Ų153.176%0.7682%0.819SS**PPolyproline II helixtrans-84.1149.2156.233.8-30.3000110.6
130R21.7Very low23.6Very low237 Ų237156 Ų15689%0.89482%0.82SS**PPolyproline II helixtrans-86.7148.6161.8-72.2-179.2169.296.5-5.1109.2
131S25.8Very low23.4Very low117 Ų117153.4 Ų153.482%0.81882%0.818SS**  trans-148.9112162.457.30000109.8
132D22.2Very low23.2Very low140 Ų140150.1 Ų150.175%0.74981%0.807SS**  trans-76.3152.2172.9-57.5-80.4000111.1
133N24Very low23.2Very low150 Ų150147 Ų14780%0.80280%0.798SS**  trans40.999.4158-62-29.7000119.2
134I22.5Very low23.2Very low152 Ų152146.3 Ų146.378%0.77980%0.8SS**  -166.7119.2126.1-94.2144.6000107.8
135F22.7Very low23.2Very low176 Ų176147 Ų14777%0.77280%0.8SS**  trans170.2107.8134.3-100.2-64.3000110.5H137F135-H137 AromaticContact CD1-CD2 3.64Å; F135-H137 AromaticContact CD1-NE2 3.24Å; F135-H137 WeakPolarHBondContact CD1-NE2 3.1Å; F135-H137 AromaticContact CE1-NE2 3.59Å
136S21.1Very low23.5Very low118 Ų118145 Ų14583%0.82580%0.795SS**  trans-93.8112.1169.953.40000109.8
137H24.5Very low23.6Very low157 Ų157142.9 Ų142.973%0.72778%0.78SS**  trans-125.3130.8171.7-79.7-72.6000112F135F135-H137 AromaticContact CD1-CD2 3.64Å; F135-H137 AromaticContact CD1-NE2 3.24Å; F135-H137 WeakPolarHBondContact CD1-NE2 3.1Å; F135-H137 AromaticContact CE1-NE2 3.59Å
138S21.2Very low23.8Very low104 Ų104134 Ų13473%0.72776%0.757SS**PPolyproline II helixtrans-66.8156.1177.6-550000112.1V140S138-V140 PolarHBondContact O-N 3.44Å
139P22.7Very low24.1Very low130 Ų130133.6 Ų133.684%0.84475%0.751SS**PPolyproline II helixtrans-62.7118.3177.325.8-34.7000111.3
140V23.1Very low24.2Very low138 Ų138132.6 Ų132.684%0.83674%0.735SS**PPolyproline II helixtrans-72.7129.1177.5178.40000110S138 C142S138-V140 PolarHBondContact O-N 3.44Å; V140-C142 PolarHBondContact O-N 2.87Å
141T22.1Very low24.3Very low133 Ų133127.7 Ų127.782%0.81673%0.731SS**  trans-69.8111.8177.449.80000110.9G143T141-G143 PolarHBondContact O-N 3.41Å
142C24.2Very low24.5Very low99 Ų99124.3 Ų124.367%0.66970%0.704SS**  trans-71.194.9177.7-177.60000111.4V140V140-C142 PolarHBondContact O-N 2.87Å
143G23.4Very low25Very low53 Ų53125.3 Ų125.355%0.54670%0.704SS.*  trans-93.1135.1172.300000112.5T141 V145T141-G143 PolarHBondContact O-N 3.41Å; G143-V145 PolarHBondContact O-N 3.07Å
144D23.6Very low25.5Very low168 Ų168119.3 Ų119.390%0.89867%0.673SS**  trans3747.3152-60.2-33000119.1N146D144-N146 PolarHBondContact O-N 3.44Å
145V27.1Very low26.1Very low125 Ų125119.4 Ų119.476%0.75868%0.675SS**  trans-65.7120.8162.6-1740000108.9G143 K147G143-V145 PolarHBondContact O-N 3.07Å; V145-K147 PolarHBondContact O-N 2.96Å
146N27.6Very low27.1Very low154 Ų154113.4 Ų113.482%0.82465%0.649SS**  trans-42.5105.6-169.4-68.7-64.6000115D144 A148D144-N146 PolarHBondContact O-N 3.44Å; N146-A148 PolarHBondContact O-N 2.76Å; N146-A148 VanDerWaalsContact O-N 3.11Å
147K28.6Very low27.8Very low125 Ų125113.9 Ų113.954%0.54364%0.642SS.*  trans-61.9112.8156.8-80.2-166.7-175.5-177.80107.9V145 Q149 S159 I160V145-K147 PolarHBondContact O-N 2.96Å; K147-Q149 PolarHBondContact O-N 3.3Å; K147-Q149 VanDerWaalsContact O-N 3.1Å; K147-S159 PolarHBondContact NZ-OG 3.09Å; K147-S159 VanDerWaalsContact NZ-OG 3.1Å; K147-I160 PolarHBondContact NZ-O 3.44Å
148A26.4Very low28.4Very low51 Ų51108.7 Ų108.742%0.42162%0.621SS.*  trans-53.8118.2172.600000110.1N146 F150 L239N146-A148 PolarHBondContact O-N 2.76Å; N146-A148 VanDerWaalsContact O-N 3.11Å; A148-F150 HydrophobicContact CB-CD2 3.78Å; A148-F150 HydrophobicContact CB-CE2 3.61Å; A148-F150 PolarHBondContact O-N 3.03Å; A148-L239 HydrophobicContact CB-CD1 3.97Å
149Q26.1Very low28.9Very low161 Ų161106.8 Ų106.875%0.75261%0.608SS**  trans-74.770.1-179.8-71.6-175.3-18.800111K147 T151K147-Q149 PolarHBondContact O-N 3.3Å; K147-Q149 VanDerWaalsContact O-N 3.1Å; Q149-T151 PolarHBondContact O-N 2.99Å
150F26.8Very low29.3Very low97 Ų97102.2 Ų102.243%0.42558%0.576SS.*  trans-67.2102.2167.5-76.5-76.1000109.3A148 N152 L239A148-F150 HydrophobicContact CB-CD2 3.78Å; A148-F150 HydrophobicContact CB-CE2 3.61Å; A148-F150 PolarHBondContact O-N 3.03Å; F150-N152 PolarHBondContact O-N 3.24Å; F150-L239 HydrophobicContact CE1-CD2 4.05Å; F150-L239 HydrophobicContact CZ-CD1 4.43Å; F150-L239 HydrophobicContact CZ-CD2 3.7Å; F150-L239 HydrophobicContact CZ-CG 4.08Å
151T25.3Very low29.7Very low133 Ų133105 Ų10582%0.81657%0.571SS**  trans-71.372.2174.540.80000110.5Q149Q149-T151 PolarHBondContact O-N 2.99Å
152N29.1Very low30.1Very low47 Ų47103.6 Ų103.625%0.25155%0.554SS.*  trans-59.6152.5-179.4-73.6-16.4000112.4F150 T154 N268 N269F150-N152 PolarHBondContact O-N 3.24Å; N152-T154 PolarHBondContact O-N 3.28Å; N152-N268 PolarHBondContact ND2-O 2.66Å; N152-N269 WeakPolarHBondContact ND2-CA 3.28Å; N152-N269 PolarHBondContact ND2-OD1 3.11Å
153Q33.5Very low30.4Very low160 Ų160105.6 Ų105.675%0.74856%0.558SS**SBendtrans-73.235.9-175.4-58.5178.9-4.500114.3R312Q153-R312 PolarHBondContact O-NH1 3Å
154T33.5Very low31Very low24 Ų24108.9 Ų108.915%0.14756%0.563CS.*SBendtrans-138.7109.5174.146.70000106.1N152 Q156N152-T154 PolarHBondContact O-N 3.28Å; T154-Q156 PolarHBondContact O-N 2.83Å
155N36.1Very low31.5Very low154 Ų154103.2 Ų103.282%0.82454%0.536SS*.SBendtrans-71.546.5-167.8-65.88.6000114.9
156Q43Very low31.9Very low50 Ų50101.5 Ų101.523%0.23453%0.527CS..  trans-140.4110.7172.6-65.3-175.8-88.800108.5T154 V158 I311T154-Q156 PolarHBondContact O-N 2.83Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 HydrophobicContact CB-CG2 4.16Å; Q156-V158 PolarHBondContact O-N 3.14Å; Q156-I311 HydrophobicContact CG-CG2 4.2Å; Q156-I311 VanDerWaalsContact OE1-N 3.15Å
157L35.3Very low32.1Very low129 Ų12997 Ų9768%0.67550%0.503SS*.  trans-76.380176.1-174.576.5000109.6S159L157-S159 PolarHBondContact O-N 3.31Å
158V37.1Very low32.2Very low47 Ų4794.1 Ų94.129%0.28550%0.497SS..  trans-77.465.3-179.8-167.70000110.5Q156 I160 L296Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 HydrophobicContact CB-CG2 4.16Å; Q156-V158 PolarHBondContact O-N 3.14Å; V158-I160 HydrophobicContact CG1-CG1 4.14Å; V158-I160 PolarHBondContact O-N 3.33Å; V158-I160 VanDerWaalsContact O-N 3.07Å; V158-L296 HydrophobicContact CG2-CD1 3.98Å; V158-L296 HydrophobicContact CG2-CD2 4.45Å
159S33.3Very low32.4Very low65 Ų6595.5 Ų95.546%0.45550%0.503SS..  trans-78.290.1168.8-169.40000109.5K147 L157 R161K147-S159 PolarHBondContact NZ-OG 3.09Å; K147-S159 VanDerWaalsContact NZ-OG 3.1Å; L157-S159 PolarHBondContact O-N 3.31Å; S159-R161 PolarHBondContact O-N 3.48Å; S159-R161 VanDerWaalsContact O-N 3.1Å
160I31Very low32.7Very low33 Ų3395.2 Ų95.217%0.16951%0.507CS..  trans-60.8114.3165.3-58.3-174.3000107.4K147 V158 N164 C165 V292 V295K147-I160 PolarHBondContact NZ-O 3.44Å; V158-I160 HydrophobicContact CG1-CG1 4.14Å; V158-I160 PolarHBondContact O-N 3.33Å; V158-I160 VanDerWaalsContact O-N 3.07Å; I160-N164 HydrophobicContact CG2-CB 4.36Å; I160-C165 HydrophobicContact CG2-CB 4.29Å; I160-V292 HydrophobicContact CD1-CB 4.29Å; I160-V292 HydrophobicContact CD1-CG1 3.78Å; I160-V295 HydrophobicContact CD1-CG2 3.75Å
161R30.7Very low32.8Very low197 Ų19798.2 Ų98.274%0.74352%0.522SS*.  trans-66.3140.5161.1-68.1-176.4176.2-172.7-2.8107.2S159 N163 N164S159-R161 PolarHBondContact O-N 3.48Å; S159-R161 VanDerWaalsContact O-N 3.1Å; R161-N163 PolarHBondContact O-N 2.85Å; R161-N164 PolarHBondContact O-N 3.11Å
162K31.8Very low33Very low103 Ų10396.3 Ų96.345%0.44850%0.5SS..G310 helixtrans-44.3-41.3-176.9-80.9-177.7170.6179.30112.7N164 C165 N175K162-N164 PolarHBondContact O-N 3.3Å; K162-C165 PolarHBondContact O-N 3.47Å; K162-C165 VanDerWaalsContact O-N 3.13Å; K162-N175 WeakPolarHBondContact CE-OD1 3.4Å
163N30.1Very low32.8Very low142 Ų14298.7 Ų98.776%0.75952%0.518SS*.G310 helixtrans-53.5-22.4178.8-43.962.3000115.6R161R161-N163 PolarHBondContact O-N 2.85Å
164N35.9Very low32.5Very low122 Ų12294.6 Ų94.665%0.65251%0.512SS*.G310 helixtrans-112.611.8-176.2-69.231.3000112.8I160 R161 K162I160-N164 HydrophobicContact CG2-CB 4.36Å; R161-N164 PolarHBondContact O-N 3.11Å; K162-N164 PolarHBondContact O-N 3.3Å
165C33.5Very low32.3Very low48 Ų4898.6 Ų98.632%0.32453%0.533SS..  trans-78.2128.1172.7-162.50000109.8I160 K162 L167I160-C165 HydrophobicContact CG2-CB 4.29Å; K162-C165 PolarHBondContact O-N 3.47Å; K162-C165 VanDerWaalsContact O-N 3.13Å; C165-L167 PolarHBondContact O-N 2.96Å
166P36.1Very low32Very low89 Ų8995.8 Ų95.858%0.57852%0.517SS*.SBendtrans-73.3-2.2177.8-18.132.2000115V295P166-V295 HydrophobicContact CG-CG1 3.44Å; P166-V295 VanDerWaalsContact CG-CG1 3.44Å
167L32.1Very low31.4Very low59 Ų5998 Ų9831%0.30953%0.534SS..SBendtrans-85.2136.3176.6-59.9175.1000109.1C165 C169 Y172 P291C165-L167 PolarHBondContact O-N 2.96Å; L167-C169 PolarHBondContact O-N 2.97Å; L167-Y172 HydrophobicContact CB-CE2 4.38Å; L167-Y172 HydrophobicContact CD1-CE2 3.99Å; L167-P291 HydrophobicContact CD1-CG 4.43Å
168P29.4Very low31.2Very low66 Ų6695.9 Ų95.943%0.42952%0.522SS..  trans-59.8123.2172.925.8-33000109.4D170 E171P168-D170 PolarHBondContact O-N 3.47Å; P168-E171 HydrophobicContact CG-CB 4.45Å; P168-E171 HydrophobicContact CG-CG 4.2Å; P168-E171 PolarHBondContact O-N 2.93Å
169C31.3Very low30.7Very low80 Ų8099.8 Ų99.854%0.54154%0.541SS..THydrogen-bonded Turntrans-61.6-14.5-178.3-67.10000113.4L167L167-C169 PolarHBondContact O-N 2.97Å
170D31.7Very low30.8Very low155 Ų15599 Ų9983%0.82954%0.544SS*.THydrogen-bonded Turntrans-85.9-19.9-174.3-46.1-61.9000113.4P168P168-D170 PolarHBondContact O-N 3.47Å
171E30Very low30.6Very low159 Ų15999.4 Ų99.474%0.74356%0.555SS**SBendtrans-90-13177.8-70.8-163.2132.800113.9P168P168-E171 HydrophobicContact CG-CB 4.45Å; P168-E171 HydrophobicContact CG-CG 4.2Å; P168-E171 PolarHBondContact O-N 2.93Å
172Y28.9Very low30.7Very low93 Ų9394.6 Ų94.637%0.36556%0.558SS.*SBendtrans-112.2126176.2-72.7-94.3000109.6L167 A174L167-Y172 HydrophobicContact CB-CE2 4.38Å; L167-Y172 HydrophobicContact CD1-CE2 3.99Å; Y172-A174 PolarHBondContact O-N 2.96Å
173P24.7Very low31Very low97 Ų9796.9 Ų96.963%0.6356%0.564SS**  trans-58.8111.5177.124.6-33.2000109.3N175 I176P173-N175 PolarHBondContact O-N 3.13Å; P173-I176 HydrophobicContact CB-CG1 4.16Å; P173-I176 HydrophobicContact CG-CD1 4.13Å; P173-I176 HydrophobicContact CG-CG1 4Å
174A26.9Very low31.5Very low75 Ų7597.3 Ų97.362%0.6257%0.566SS**THydrogen-bonded Turntrans-55.6107.8-163.400000111.9Y172Y172-A174 PolarHBondContact O-N 2.96Å
175N30.5Very low32Very low107 Ų10794.7 Ų94.757%0.57257%0.568SS**THydrogen-bonded Turntrans24.687.9-168.2-72.225.5000111.9K162 P173 V177K162-N175 WeakPolarHBondContact CE-OD1 3.4Å; P173-N175 PolarHBondContact O-N 3.13Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.1Å
176I28.2Very low33Very low96 Ų9695.4 Ų95.449%0.49257%0.568SS.*  trans-43.7104178.1-59.9178.1000108.6P173 I178P173-I176 HydrophobicContact CB-CG1 4.16Å; P173-I176 HydrophobicContact CG-CD1 4.13Å; P173-I176 HydrophobicContact CG-CG1 4Å; I176-I178 HydrophobicContact CG2-CG1 3.97Å; I176-I178 PolarHBondContact O-N 3.07Å
177V30.8Very low34.3Very low97 Ų9794.2 Ų94.259%0.58856%0.561SS**  trans-71.899.9172.61750000102.2N175 D179N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.1Å; V177-D179 PolarHBondContact O-N 2.87Å
178I30.8Very low35.9Very low84 Ų8494.4 Ų94.443%0.43156%0.561SS.*  trans-72.572.9162.9-54.6179.1000105I176 G180I176-I178 HydrophobicContact CG2-CG1 3.97Å; I176-I178 PolarHBondContact O-N 3.07Å; I178-G180 PolarHBondContact O-N 3.03Å
179D27.7Very low37.7Very low129 Ų12999.6 Ų99.669%0.6957%0.573SS**  trans-35.1125.8133.4-76.5-26000105.6V177 G181V177-D179 PolarHBondContact O-N 2.87Å; D179-G181 VanDerWaalsContact C-N 3.28Å; D179-G181 WeakPolarHBondContact O-CA 3.32Å; D179-G181 PolarHBondContact O-N 2.93Å
180G35Very low39.6Very low49 Ų4998.4 Ų98.451%0.50556%0.561SS.*  trans-55.385.9-16800000112.7I178 A182I178-G180 PolarHBondContact O-N 3.03Å; G180-A182 VanDerWaalsContact C-N 3.34Å; G180-A182 PolarHBondContact O-N 3.49Å
181G26.1Very low41.5Very low40 Ų4091.1 Ų91.141%0.41252%0.522SS..  trans-86.572.2-133.800000114.2D179 W183D179-G181 VanDerWaalsContact C-N 3.28Å; D179-G181 WeakPolarHBondContact O-CA 3.32Å; D179-G181 PolarHBondContact O-N 2.93Å; G181-W183 PolarHBondContact O-N 3.35Å; G181-W183 VanDerWaalsContact O-N 3.13Å
182A34.2Very low43.5Very low96 Ų9684 Ų8479%0.79349%0.489SS*.SBendtrans57.116.8-170.400000114.5G180G180-A182 VanDerWaalsContact C-N 3.34Å; G180-A182 PolarHBondContact O-N 3.49Å
183W36.8Very low45.8Very low151 Ų15181 Ų8157%0.57249%0.487SS*.  trans-95.45.6172.2-66.4105.4000113.8G181 G185 L186G181-W183 PolarHBondContact O-N 3.35Å; G181-W183 VanDerWaalsContact O-N 3.13Å; W183-G185 PolarHBondContact O-N 3.32Å; W183-L186 HydrophobicContact CE3-CB 3.93Å; W183-L186 HydrophobicContact CE3-CD2 4.3Å; W183-L186 HydrophobicContact CZ3-CB 4.46Å; W183-L186 HydrophobicContact CZ3-CD2 4.45Å; W183-L186 PolarHBondContact O-N 3.36Å; W183-L186 VanDerWaalsContact O-N 3.11Å
184N41Very low48.4Very low151 Ų15178.2 Ų78.281%0.80747%0.472SS*.THydrogen-bonded Turntrans-59-8.7165.2-58.8-10.6000112.9
185G47Very low51Low68 Ų6874.6 Ų74.670%0.70144%0.442SS*.THydrogen-bonded Turntrans-104.73.3176.300000116W183 P187W183-G185 PolarHBondContact O-N 3.32Å; G185-P187 VanDerWaalsContact O-CD 3.31Å; G185-P187 WeakPolarHBondContact O-CD 3.27Å
186L53.7Low53.3Low62 Ų6272.1 Ų72.133%0.32543%0.429SS..SBendtrans-10097.8171.2-169.874.8000109.1W183 D190W183-L186 HydrophobicContact CE3-CB 3.93Å; W183-L186 HydrophobicContact CE3-CD2 4.3Å; W183-L186 HydrophobicContact CZ3-CB 4.46Å; W183-L186 HydrophobicContact CZ3-CD2 4.45Å; W183-L186 PolarHBondContact O-N 3.36Å; W183-L186 VanDerWaalsContact O-N 3.11Å; L186-D190 HydrophobicContact CD1-CB 3.79Å; L186-D190 HydrophobicContact CG-CB 4.23Å
187P64.4Low55.9Low65 Ų6572.3 Ų72.342%0.42243%0.434SS..  trans-65153.2-174.327.8-35.1000110.9G185 R189 D190 A191G185-P187 VanDerWaalsContact O-CD 3.31Å; G185-P187 WeakPolarHBondContact O-CD 3.27Å; P187-R189 PolarHBondContact O-N 2.97Å; P187-D190 HydrophobicContact CG-CB 4.27Å; P187-D190 PolarHBondContact O-N 3.35Å; P187-A191 PolarHBondContact O-N 3.39Å
188L63.9Low58.4Low62 Ų6268.8 Ų68.833%0.32541%0.411SS..Hα-helixtrans-49.5-37.7-178.1-179.557.5000112.6D190 A191 I192 M241L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 3.09Å; L188-A191 WeakPolarHBondContact O-CB 3.44Å; L188-A191 PolarHBondContact O-N 3.15Å; L188-I192 HydrophobicContact CD1-CD1 3.83Å; L188-I192 HydrophobicContact CD1-CG1 4.23Å; L188-I192 HydrophobicContact CG-CD1 3.68Å; L188-I192 WeakPolarHBondContact O-CD1 3.21Å; L188-I192 WeakPolarHBondContact O-CG1 3.31Å; L188-I192 PolarHBondContact O-N 2.88Å; L188-M241 HydrophobicContact CD1-CE 4.44Å
189R67.6Low60.9Low176 Ų17666.4 Ų66.466%0.66440%0.399SS*.Hα-helixtrans-44.6-52.3169.3174.1-169.9173.5-108.312.4113.4P187 I192 G193P187-R189 PolarHBondContact O-N 2.97Å; R189-I192 PolarHBondContact O-N 2.79Å; R189-G193 PolarHBondContact O-N 2.76Å
190D72Confident63.4Low55 Ų5565.3 Ų65.329%0.29440%0.398SS..Hα-helixtrans-81-36.3-168-62.25000110.2L186 P187 L188 I192 G193 A194L186-D190 HydrophobicContact CD1-CB 3.79Å; L186-D190 HydrophobicContact CG-CB 4.23Å; P187-D190 HydrophobicContact CG-CB 4.27Å; P187-D190 PolarHBondContact O-N 3.35Å; L188-D190 VanDerWaalsContact C-N 3.34Å; L188-D190 PolarHBondContact O-N 3.09Å; D190-I192 VanDerWaalsContact C-N 3.3Å; D190-I192 PolarHBondContact O-N 3.34Å; D190-G193 PolarHBondContact O-N 3.2Å; D190-A194 PolarHBondContact O-N 3.36Å
191A70.9Confident65.5Low2 Ų265.5 Ų65.52%0.01739%0.391CS..Hα-helixtrans-52.5-44.8164.100000112.8P187 L188 A195 W232P187-A191 PolarHBondContact O-N 3.39Å; L188-A191 WeakPolarHBondContact O-CB 3.44Å; L188-A191 PolarHBondContact O-N 3.15Å; A191-A195 WeakPolarHBondContact O-CB 3.45Å; A191-A195 PolarHBondContact O-N 2.94Å; A191-W232 HydrophobicContact CB-CH2 3.27Å; A191-W232 HydrophobicContact CB-CZ2 3.54Å; A191-W232 HydrophobicContact CB-CZ3 4.17Å
192I73Confident67.5Low8 Ų872.3 Ų72.34%0.04141%0.409CS..Hα-helixtrans-74.2-35176.4-63.2152.8000111.3L42 L46 L188 R189 D190 A194 A195 L196L42-I192 HydrophobicContact CD1-CD1 3.67Å; L42-I192 HydrophobicContact CD1-CG2 4.28Å; L42-I192 HydrophobicContact CD2-CD1 3.29Å; L42-I192 HydrophobicContact CD2-CG1 4.4Å; L42-I192 HydrophobicContact CG-CD1 4.03Å; L46-I192 HydrophobicContact CD2-CG2 4.32Å; L188-I192 HydrophobicContact CD1-CD1 3.83Å; L188-I192 HydrophobicContact CD1-CG1 4.23Å; L188-I192 HydrophobicContact CG-CD1 3.68Å; L188-I192 WeakPolarHBondContact O-CD1 3.21Å; L188-I192 WeakPolarHBondContact O-CG1 3.31Å; L188-I192 PolarHBondContact O-N 2.88Å; R189-I192 PolarHBondContact O-N 2.79Å; D190-I192 VanDerWaalsContact C-N 3.3Å; D190-I192 PolarHBondContact O-N 3.34Å; I192-A194 VanDerWaalsContact C-N 3.35Å; I192-A194 PolarHBondContact O-N 3.24Å; I192-A195 WeakPolarHBondContact O-CB 3.49Å; I192-A195 PolarHBondContact O-N 2.7Å; I192-L196 HydrophobicContact CG2-CD1 4.06Å; I192-L196 HydrophobicContact CG2-CG 4.24Å; I192-L196 WeakPolarHBondContact O-CB 3.34Å; I192-L196 VanDerWaalsContact O-CG 3.3Å; I192-L196 WeakPolarHBondContact O-CG 3.38Å; I192-L196 PolarHBondContact O-N 2.99Å
193G77.2Confident68.7Low32 Ų3269.7 Ų69.733%0.3339%0.385SS..Hα-helixtrans-55.6-48.8169.700000111.8R189 D190 L196 V197R189-G193 PolarHBondContact O-N 2.76Å; D190-G193 PolarHBondContact O-N 3.2Å; G193-L196 PolarHBondContact O-N 2.7Å; G193-V197 WeakPolarHBondContact O-CG2 3.46Å; G193-V197 PolarHBondContact O-N 3.36Å
194A78.9Confident69.4Low37 Ų3770.4 Ų70.431%0.30639%0.392SS..Hα-helixtrans-61.2-44.217400000112.1D190 I192 L196 V197 I198D190-A194 PolarHBondContact O-N 3.36Å; I192-A194 VanDerWaalsContact C-N 3.35Å; I192-A194 PolarHBondContact O-N 3.24Å; A194-L196 VanDerWaalsContact C-N 3.34Å; A194-L196 PolarHBondContact O-N 2.99Å; A194-V197 PolarHBondContact O-N 3.02Å; A194-I198 WeakPolarHBondContact O-CD1 3.34Å; A194-I198 VanDerWaalsContact O-CG1 3.28Å; A194-I198 WeakPolarHBondContact O-CG1 3.49Å; A194-I198 PolarHBondContact O-N 3.25Å
195A81.4Confident69.7Low0 Ų064.7 Ų64.70%037%0.367CS..Hα-helixtrans-56.5-45.8174.700000112.2A191 I192 I198 L199 F233 I248 V252A191-A195 WeakPolarHBondContact O-CB 3.45Å; A191-A195 PolarHBondContact O-N 2.94Å; I192-A195 WeakPolarHBondContact O-CB 3.49Å; I192-A195 PolarHBondContact O-N 2.7Å; A195-I198 PolarHBondContact O-N 3.09Å; A195-L199 WeakPolarHBondContact O-CB 3.46Å; A195-L199 VanDerWaalsContact O-CG 3.25Å; A195-L199 WeakPolarHBondContact O-CG 3.48Å; A195-L199 PolarHBondContact O-N 3.1Å; A195-F233 HydrophobicContact CB-CE1 4.01Å; A195-F233 HydrophobicContact CB-CZ 4.01Å; A195-I248 HydrophobicContact CB-CG2 4.33Å; A195-V252 HydrophobicContact CB-CG2 3.59Å
196L79.6Confident69.4Low55 Ų5564.9 Ų64.929%0.28836%0.357SS..Hα-helixtrans-67.7-41.4178.9-71.5173.8000112.5L46 L49 I192 G193 A194 I198 L199 T200L46-L196 HydrophobicContact CD2-CD2 3.96Å; L49-L196 HydrophobicContact CD1-CD2 3.33Å; I192-L196 HydrophobicContact CG2-CD1 4.06Å; I192-L196 HydrophobicContact CG2-CG 4.24Å; I192-L196 WeakPolarHBondContact O-CB 3.34Å; I192-L196 VanDerWaalsContact O-CG 3.3Å; I192-L196 WeakPolarHBondContact O-CG 3.38Å; I192-L196 PolarHBondContact O-N 2.99Å; G193-L196 PolarHBondContact O-N 2.7Å; A194-L196 VanDerWaalsContact C-N 3.34Å; A194-L196 PolarHBondContact O-N 2.99Å; L196-I198 VanDerWaalsContact C-N 3.34Å; L196-I198 PolarHBondContact O-N 3.11Å; L196-L199 PolarHBondContact O-N 2.62Å; L196-T200 WeakPolarHBondContact O-CB 3.34Å; L196-T200 WeakPolarHBondContact O-CG2 3.49Å; L196-T200 PolarHBondContact O-N 3.29Å; L196-T200 PolarHBondContact O-OG1 2.84Å
197V82.5Confident68.5Low99 Ų9965.1 Ų65.160%0.638%0.375SS*.Hα-helixtrans-60.8-43173.6169.50000110.9G193 A194 T200 S201G193-V197 WeakPolarHBondContact O-CG2 3.46Å; G193-V197 PolarHBondContact O-N 3.36Å; A194-V197 PolarHBondContact O-N 3.02Å; V197-T200 PolarHBondContact O-OG1 3.26Å; V197-S201 VanDerWaalsContact O-CB 3.31Å; V197-S201 WeakPolarHBondContact O-CB 3.33Å; V197-S201 PolarHBondContact O-N 2.95Å
198I82.1Confident66.8Low23 Ų2367.6 Ų67.612%0.11839%0.392CS..Hα-helixtrans-64.7-49.3175.3-63.1158.1000110A194 A195 L196 T200 S201 F233 V252 K255 L256A194-I198 WeakPolarHBondContact O-CD1 3.34Å; A194-I198 VanDerWaalsContact O-CG1 3.28Å; A194-I198 WeakPolarHBondContact O-CG1 3.49Å; A194-I198 PolarHBondContact O-N 3.25Å; A195-I198 PolarHBondContact O-N 3.09Å; L196-I198 VanDerWaalsContact C-N 3.34Å; L196-I198 PolarHBondContact O-N 3.11Å; I198-T200 VanDerWaalsContact C-N 3.28Å; I198-T200 PolarHBondContact O-N 2.85Å; I198-S201 PolarHBondContact O-N 3.44Å; I198-S201 PolarHBondContact O-OG 3.08Å; I198-F233 HydrophobicContact CD1-CE2 3.77Å; I198-F233 HydrophobicContact CD1-CZ 4.21Å; I198-V252 HydrophobicContact CB-CG1 4.06Å; I198-V252 HydrophobicContact CD1-CG1 3.6Å; I198-V252 HydrophobicContact CG1-CG1 4.44Å; I198-V252 HydrophobicContact CG2-CG1 3.88Å; I198-K255 HydrophobicContact CG2-CB 4.45Å; I198-K255 WeakPolarHBondContact O-CD 3.24Å; I198-K255 WeakPolarHBondContact O-CE 3.4Å; I198-K255 PolarHBondContact O-NZ 2.97Å; I198-L256 HydrophobicContact CD1-CD1 4.37Å; I198-L256 HydrophobicContact CD1-CD2 3.99Å; I198-L256 HydrophobicContact CD1-CG 4.4Å; I198-L256 HydrophobicContact CG1-CD2 4.24Å; I198-L256 HydrophobicContact CG2-CD2 3.95Å; I198-L256 HydrophobicContact CG2-CG 4.13Å
199L83.3Confident65.5Low34 Ų3470.3 Ų70.318%0.17840%0.398CS..Hα-helixtrans-63.9-27.5-178.4-74.8167.7000113.9I51 A195 L196 I248 V252 K255I51-L199 HydrophobicContact CD1-CD1 3.98Å; A195-L199 WeakPolarHBondContact O-CB 3.46Å; A195-L199 VanDerWaalsContact O-CG 3.25Å; A195-L199 WeakPolarHBondContact O-CG 3.48Å; A195-L199 PolarHBondContact O-N 3.1Å; L196-L199 PolarHBondContact O-N 2.62Å; L199-I248 HydrophobicContact CD1-CG2 3.89Å; L199-V252 HydrophobicContact CD1-CG2 3.77Å; L199-V252 HydrophobicContact CD2-CG2 4.31Å; L199-V252 HydrophobicContact CG-CG2 3.76Å; L199-K255 PolarHBondContact O-NZ 3.13Å
200T80Confident63.9Low107 Ų10774.1 Ų74.166%0.65641%0.412SS*.Hα-helixtrans-91.8-22.9175.154.30000114L196 V197 I198L196-T200 WeakPolarHBondContact O-CB 3.34Å; L196-T200 WeakPolarHBondContact O-CG2 3.49Å; L196-T200 PolarHBondContact O-N 3.29Å; L196-T200 PolarHBondContact O-OG1 2.84Å; V197-T200 PolarHBondContact O-OG1 3.26Å; I198-T200 VanDerWaalsContact C-N 3.28Å; I198-T200 PolarHBondContact O-N 2.85Å
201S79Confident62Low53 Ų5380.5 Ų80.537%0.37144%0.443SS..SBendtrans-54.4142.6179.869.20000112.9V197 I198 K255V197-S201 VanDerWaalsContact O-CB 3.31Å; V197-S201 WeakPolarHBondContact O-CB 3.33Å; V197-S201 PolarHBondContact O-N 2.95Å; I198-S201 PolarHBondContact O-N 3.44Å; I198-S201 PolarHBondContact O-OG 3.08Å; S201-K255 WeakPolarHBondContact O-CE 3.29Å; S201-K255 PolarHBondContact O-NZ 2.96Å
202K68.3Low60.2Low182 Ų18284.5 Ų84.579%0.79146%0.463SS*.PPolyproline II helixtrans-72.5131.5166.2-73.5178.4-179.4174.60108
203S59.9Low58.5Low41 Ų4187.7 Ų87.729%0.28749%0.486SS..PPolyproline II helixtrans-59146.5175.961.40000109.7A205 S206S203-A205 PolarHBondContact O-N 2.94Å; S203-S206 PolarHBondContact O-N 3.43Å
204K52.8Low56.8Low166 Ų16694.4 Ų94.472%0.72250%0.502SS*.THydrogen-bonded Turntrans-63.2-7.4-174.1-55.2173.6-178.2172.70112.6D259K204-D259 WeakPolarHBondContact CB-OD2 3.49Å
205A45.9Very low55.1Low32 Ų3296.2 Ų96.226%0.26451%0.512SS..THydrogen-bonded Turntrans-87.1-15.717300000115.5S203 G207S203-A205 PolarHBondContact O-N 2.94Å; A205-G207 PolarHBondContact O-N 2.99Å
206S40.6Very low53.4Low72 Ų7298.8 Ų98.850%0.50353%0.53SS..  trans-76.712.1-161.8102.80000116.7S203S203-S206 PolarHBondContact O-N 3.43Å
207G34.8Very low51.8Low67 Ų6798.2 Ų98.269%0.69153%0.526SS*.SBendtrans-86.7-74.818000000113.1A205A205-G207 PolarHBondContact O-N 2.99Å
208C30Very low50.3Low117 Ų11798.3 Ų98.379%0.79152%0.515SS*.SBendtrans-146.365.4-177.7-65.20000111.3
209R34.8Very low48.9Very low118 Ų118104.5 Ų104.545%0.44555%0.548SS..  trans-15048.7-172.1-142.7162.3-76.6-137.9-1.6118.9I212 S216R209-I212 HydrophobicContact CG-CB 3.81Å; R209-I212 HydrophobicContact CG-CD1 4.27Å; R209-I212 HydrophobicContact CG-CG1 4.27Å; R209-S216 PolarHBondContact NH1-OG 3.26Å; R209-S216 VanDerWaalsContact NH1-OG 3.11Å
210R35.9Very low48Very low257 Ų257106 Ų10697%0.9755%0.554SS**SBendtrans-91-11.1154.9-80.4-173.4179.6142.81.5114.2
211M32.2Very low47.6Very low189 Ų189110.2 Ų110.293%0.93156%0.563SS**SBendtrans-104.4-16.1-174.2-81.4-76.1-154.300115.1
212I33.1Very low47.7Very low85 Ų85108.3 Ų108.344%0.43655%0.547SS..SBendtrans-94.2133.5-177.6-56.9175.1000108.9R209R209-I212 HydrophobicContact CG-CB 3.81Å; R209-I212 HydrophobicContact CG-CD1 4.27Å; R209-I212 HydrophobicContact CG-CG1 4.27Å
213S37.1Very low48.4Very low76 Ų76102.9 Ų102.953%0.53153%0.527SS..  trans-48143.4-169.2-176.80000114.8S215 S216S213-S215 WeakPolarHBondContact CB-OG 3.39Å; S213-S215 PolarHBondContact O-N 3.38Å; S213-S215 PolarHBondContact OG-N 3.16Å; S213-S215 PolarHBondContact OG-OG 3.38Å; S213-S216 WeakPolarHBondContact O-CB 3.31Å; S213-S216 PolarHBondContact O-N 2.73Å
214R41Very low49.3Very low173 Ų173110.1 Ų110.165%0.65355%0.548SS*.THydrogen-bonded Turntrans-49.9-24.3173.3-80177.4163.8166.6-6.5113.3S216 H217R214-S216 PolarHBondContact O-N 2.99Å; R214-H217 PolarHBondContact O-N 2.76Å
215S43.2Very low50.5Low75 Ų75106.8 Ų106.852%0.52454%0.535SS..Hα-helixtrans-55-36.7173.355.40000113.2S213 H217 R218S213-S215 WeakPolarHBondContact CB-OG 3.39Å; S213-S215 PolarHBondContact O-N 3.38Å; S213-S215 PolarHBondContact OG-N 3.16Å; S213-S215 PolarHBondContact OG-OG 3.38Å; S215-H217 PolarHBondContact O-N 2.9Å; S215-H217 VanDerWaalsContact O-N 3.09Å; S215-R218 PolarHBondContact O-N 3.09Å
216S44.4Very low52.1Low54 Ų54106.2 Ų106.238%0.37853%0.529SS..Hα-helixtrans-65.4-14-176.1-179.30000114.5R209 S213 R214R209-S216 PolarHBondContact NH1-OG 3.26Å; R209-S216 VanDerWaalsContact NH1-OG 3.11Å; S213-S216 WeakPolarHBondContact O-CB 3.31Å; S213-S216 PolarHBondContact O-N 2.73Å; R214-S216 PolarHBondContact O-N 2.99Å
217H47.9Very low54.1Low43 Ų43104.5 Ų104.520%0.19951%0.514CS..Hα-helixtrans-104.2-22.4179.9-75.5-119.3000113.2R214 S215 N219 K220 D259R214-H217 PolarHBondContact O-N 2.76Å; S215-H217 PolarHBondContact O-N 2.9Å; S215-H217 VanDerWaalsContact O-N 3.09Å; H217-N219 PolarHBondContact O-N 2.79Å; H217-N219 VanDerWaalsContact O-N 3.14Å; H217-K220 PolarHBondContact O-N 2.91Å; H217-D259 IonicContact CE1-OD1 3.19Å; H217-D259 PolarHBondContact CE1-OD1 2.98Å; H217-D259 IonicContact ND1-OD1 3.25Å; H217-D259 PolarHBondContact ND1-OD1 3.3Å
218R49.7Very low56.2Low100 Ų100105.6 Ų105.638%0.37750%0.499SS..Hα-helixtrans-61.8-28.2-173.3-56.7-156.3-155.3-158.317.7114.2S215 V261 E280S215-R218 PolarHBondContact O-N 3.09Å; R218-V261 HydrophobicContact CB-CG2 4.19Å; R218-V261 HydrophobicContact CG-CG2 4.25Å; R218-E280 IonicContact NH1-OE1 2.82Å
219N52.1Low58.5Low153 Ų153103.4 Ų103.482%0.81848%0.479SS*.THydrogen-bonded Turntrans-97.213.3-174.7-62.94.2000113.6H217 K221H217-N219 PolarHBondContact O-N 2.79Å; H217-N219 VanDerWaalsContact O-N 3.14Å; N219-K221 PolarHBondContact O-N 2.99Å
220K65.3Low60.8Low67 Ų6797.8 Ų97.829%0.29146%0.458SS..  trans-70.194.8169.7-76.8179.4176.2176.40109.2H217 D259 Y260H217-K220 PolarHBondContact O-N 2.91Å; K220-D259 WeakPolarHBondContact CD-O 3.25Å; K220-D259 IonicContact NZ-OD1 3.18Å; K220-D259 PolarHBondContact NZ-OD1 2.99Å; K220-D259 IonicContact NZ-OD2 3.16Å; K220-D259 PolarHBondContact NZ-OD2 2.92Å; K220-Y260 HydrophobicContact CB-CD1 3.87Å; K220-Y260 HydrophobicContact CB-CE1 3.93Å; K220-Y260 VanDerWaalsContact O-CD1 3.25Å; K220-Y260 WeakPolarHBondContact O-CD1 3.43Å
221K72.3Confident62.8Low194 Ų19486.2 Ų86.284%0.84342%0.416SS*.PPolyproline II helixtrans-68.9138.1167.1-171.8172.4-178.6174.40109.1N219N219-K221 PolarHBondContact O-N 2.99Å
222W80.8Confident64.9Low13 Ų1379.7 Ų79.75%0.04938%0.382CS..PPolyproline II helixtrans-66.9132.6171.7-66.765.6000109.6T226 L227 H230 L256 E257 Y260 I277W222-T226 HydrophobicContact CE3-CG2 3.5Å; W222-T226 VanDerWaalsContact CE3-CG2 3.5Å; W222-T226 HydrophobicContact CZ3-CG2 3.61Å; W222-L227 HydrophobicContact CB-CD1 4.43Å; W222-L227 HydrophobicContact CB-CG 4.02Å; W222-H230 AromaticContact CH2-CD2 3.43Å; W222-H230 VanDerWaalsContact CH2-CD2 3.43Å; W222-H230 WeakPolarHBondContact CH2-CD2 3.37Å; W222-H230 AromaticContact CH2-CG 3.96Å; W222-H230 AromaticContact CH2-NE2 3.87Å; W222-H230 HydrophobicContact CZ3-CB 3.87Å; W222-H230 AromaticContact CZ3-CD2 3.38Å; W222-H230 WeakPolarHBondContact CZ3-CD2 3.35Å; W222-H230 AromaticContact CZ3-CG 3.67Å; W222-L256 HydrophobicContact CH2-CB 4.38Å; W222-L256 HydrophobicContact CZ3-CB 4.44Å; W222-E257 HydrophobicContact CH2-CB 4.48Å; W222-E257 HydrophobicContact CH2-CG 3.78Å; W222-E257 HydrophobicContact CZ2-CG 4.05Å; W222-Y260 HydrophobicContact CB-CE1 4.45Å; W222-Y260 AromaticContact CD1-CD1 3.49Å; W222-Y260 VanDerWaalsContact CD1-CD1 3.49Å; W222-Y260 AromaticContact CD1-CE1 3.84Å; W222-Y260 AromaticContact CD1-CG 3.97Å; W222-Y260 HydrophobicContact CD2-CD1 4.16Å; W222-Y260 HydrophobicContact CD2-CD2 4.21Å; W222-Y260 HydrophobicContact CD2-CE1 4.16Å; W222-Y260 HydrophobicContact CD2-CE2 4.17Å; W222-Y260 HydrophobicContact CD2-CG 4.19Å; W222-Y260 AromaticContact CE2-CD1 3.77Å; W222-Y260 AromaticContact CE2-CD2 3.63Å; W222-Y260 AromaticContact CE2-CG 3.45Å; W222-Y260 VanDerWaalsContact CE2-CG 3.45Å; W222-Y260 HydrophobicContact CE3-CE2 4.36Å; W222-Y260 AromaticContact CG-CD1 3.98Å; W222-Y260 HydrophobicContact CG-CD1 3.98Å; W222-Y260 AromaticContact CG-CE1 3.9Å; W222-Y260 HydrophobicContact CG-CE1 3.9Å; W222-Y260 HydrophobicContact CG-CG 4.46Å; W222-Y260 HydrophobicContact CH2-CD2 4.03Å; W222-Y260 HydrophobicContact CH2-CE2 4.32Å; W222-Y260 HydrophobicContact CZ2-CD1 4.47Å; W222-Y260 AromaticContact CZ2-CD2 3.54Å; W222-Y260 HydrophobicContact CZ2-CD2 3.54Å; W222-Y260 HydrophobicContact CZ2-CE2 4.16Å; W222-Y260 AromaticContact CZ2-CG 3.71Å; W222-Y260 HydrophobicContact CZ2-CG 3.71Å; W222-Y260 HydrophobicContact CZ3-CE2 4.43Å; W222-Y260 AromaticContact NE1-CD1 3.34Å; W222-Y260 VanDerWaalsContact NE1-CD1 3.34Å; W222-Y260 AromaticContact NE1-CG 3.32Å; W222-Y260 VanDerWaalsContact NE1-CG 3.32Å; W222-I277 HydrophobicContact CB-CD1 3.6Å; W222-I277 HydrophobicContact CD2-CD1 4.33Å; W222-I277 HydrophobicContact CD2-CG2 4.09Å; W222-I277 HydrophobicContact CG-CB 4.45Å; W222-I277 HydrophobicContact CG-CD1 3.54Å; W222-I277 HydrophobicContact CG-CG2 4.22Å; W222-I277 HydrophobicContact CZ2-CG2 4.08Å; W222-I277 VanDerWaalsContact NE1-CG2 3.32Å
223D82.2Confident66.9Low69 Ų6975.7 Ų75.737%0.36936%0.361SS..PPolyproline II helixtrans-78.6166.9170.669.481.6000111.5E225 T226 L227D223-E225 VanDerWaalsContact C-N 3.32Å; D223-E225 PolarHBondContact O-N 3.17Å; D223-E225 PolarHBondContact OD1-N 3Å; D223-T226 VanDerWaalsContact CG-OG1 3.29Å; D223-T226 PolarHBondContact OD1-N 3.11Å; D223-T226 PolarHBondContact OD1-OG1 2.96Å; D223-T226 WeakPolarHBondContact OD2-CB 3.43Å; D223-T226 PolarHBondContact OD2-OG1 2.92Å; D223-L227 WeakPolarHBondContact O-CB 3.43Å; D223-L227 PolarHBondContact O-N 2.87Å
224R78.5Confident68.6Low192 Ų19273.4 Ų73.473%0.72534%0.343SS*.Hα-helixtrans-65.6-31.8-172.8-162.6176.6-162-1370.7113.5K228R224-K228 WeakPolarHBondContact O-CD 3.38Å; R224-K228 WeakPolarHBondContact O-CG 3.43Å; R224-K228 PolarHBondContact O-N 2.98Å
225E77.8Confident69.8Low97 Ų9767.6 Ų67.645%0.45333%0.329SS..Hα-helixtrans-84.4-38.5-176.8-52.7-49.6119.300110.8D223 L227 K228 L229D223-E225 VanDerWaalsContact C-N 3.32Å; D223-E225 PolarHBondContact O-N 3.17Å; D223-E225 PolarHBondContact OD1-N 3Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 2.83Å; E225-K228 PolarHBondContact O-N 3.26Å; E225-K228 IonicContact OE1-NZ 3.81Å; E225-K228 PolarHBondContact OE1-NZ 3.1Å; E225-K228 WeakPolarHBondContact OE2-CD 3.34Å; E225-K228 IonicContact OE2-NZ 3.94Å; E225-K228 PolarHBondContact OE2-NZ 3.35Å; E225-L229 WeakPolarHBondContact O-CB 3.04Å; E225-L229 WeakPolarHBondContact O-CG 3.49Å; E225-L229 PolarHBondContact O-N 2.8Å
226T80.9Confident70.7Confident20 Ų2067.9 Ų67.912%0.12332%0.321CS..Hα-helixtrans-60.5-39.8167.7-54.30000110.8W222 D223 H230W222-T226 HydrophobicContact CE3-CG2 3.5Å; W222-T226 VanDerWaalsContact CE3-CG2 3.5Å; W222-T226 HydrophobicContact CZ3-CG2 3.61Å; D223-T226 VanDerWaalsContact CG-OG1 3.29Å; D223-T226 PolarHBondContact OD1-N 3.11Å; D223-T226 PolarHBondContact OD1-OG1 2.96Å; D223-T226 WeakPolarHBondContact OD2-CB 3.43Å; D223-T226 PolarHBondContact OD2-OG1 2.92Å; T226-H230 WeakPolarHBondContact O-CB 3.17Å; T226-H230 PolarHBondContact O-N 2.94Å
227L82.7Confident71.1Confident36 Ų3668.7 Ų68.719%0.18833%0.326CS..Hα-helixtrans-60.7-52.5172.8-96.8170.7000112.5W222 D223 E225 L229 H230 S231 P273 E274 I277W222-L227 HydrophobicContact CB-CD1 4.43Å; W222-L227 HydrophobicContact CB-CG 4.02Å; D223-L227 WeakPolarHBondContact O-CB 3.43Å; D223-L227 PolarHBondContact O-N 2.87Å; E225-L227 VanDerWaalsContact C-N 3.29Å; E225-L227 PolarHBondContact O-N 2.83Å; L227-L229 VanDerWaalsContact C-N 3.33Å; L227-L229 PolarHBondContact O-N 3.45Å; L227-H230 WeakPolarHBondContact O-CB 3.5Å; L227-H230 PolarHBondContact O-N 3.05Å; L227-S231 WeakPolarHBondContact O-CB 3.14Å; L227-S231 PolarHBondContact O-N 3.35Å; L227-P273 HydrophobicContact CD2-CB 4.06Å; L227-E274 HydrophobicContact CD2-CG 4.17Å; L227-I277 HydrophobicContact CD1-CD1 4.14Å; L227-I277 HydrophobicContact CD2-CD1 3.78Å; L227-I277 HydrophobicContact CG-CD1 4.15Å
228K79.4Confident71.4Confident90 Ų9067.8 Ų67.839%0.39132%0.322SS..Hα-helixtrans-53.1-48.4176-78.8159.7162.3175.70112.2R224 E225 H230 S231 W232R224-K228 WeakPolarHBondContact O-CD 3.38Å; R224-K228 WeakPolarHBondContact O-CG 3.43Å; R224-K228 PolarHBondContact O-N 2.98Å; E225-K228 PolarHBondContact O-N 3.26Å; E225-K228 IonicContact OE1-NZ 3.81Å; E225-K228 PolarHBondContact OE1-NZ 3.1Å; E225-K228 WeakPolarHBondContact OE2-CD 3.34Å; E225-K228 IonicContact OE2-NZ 3.94Å; E225-K228 PolarHBondContact OE2-NZ 3.35Å; K228-H230 VanDerWaalsContact C-N 3.33Å; K228-H230 PolarHBondContact O-N 2.66Å; K228-S231 PolarHBondContact O-N 3.06Å; K228-W232 WeakPolarHBondContact O-CB 3.18Å; K228-W232 PolarHBondContact O-N 2.72Å
229L77.6Confident71.7Confident70 Ų7068.2 Ų68.237%0.36633%0.331SS..Hα-helixtrans-58.9-46.2176.3-73.4168.4000110.6E225 L227 S231 W232 F233E225-L229 WeakPolarHBondContact O-CB 3.04Å; E225-L229 WeakPolarHBondContact O-CG 3.49Å; E225-L229 PolarHBondContact O-N 2.8Å; L227-L229 VanDerWaalsContact C-N 3.33Å; L227-L229 PolarHBondContact O-N 3.45Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-S231 PolarHBondContact O-N 2.81Å; L229-W232 PolarHBondContact O-N 3.36Å; L229-F233 WeakPolarHBondContact O-CD2 3.38Å; L229-F233 PolarHBondContact O-N 3.36Å
230H82.4Confident72.2Confident0 Ų067.7 Ų67.70%032%0.324CS..Hα-helixtrans-65.9-36.5-179.6-147.7-76.3000113.7W222 T226 L227 K228 N234 R253 L256 E257 P273 Y276W222-H230 AromaticContact CH2-CD2 3.43Å; W222-H230 VanDerWaalsContact CH2-CD2 3.43Å; W222-H230 WeakPolarHBondContact CH2-CD2 3.37Å; W222-H230 AromaticContact CH2-CG 3.96Å; W222-H230 AromaticContact CH2-NE2 3.87Å; W222-H230 HydrophobicContact CZ3-CB 3.87Å; W222-H230 AromaticContact CZ3-CD2 3.38Å; W222-H230 WeakPolarHBondContact CZ3-CD2 3.35Å; W222-H230 AromaticContact CZ3-CG 3.67Å; T226-H230 WeakPolarHBondContact O-CB 3.17Å; T226-H230 PolarHBondContact O-N 2.94Å; L227-H230 WeakPolarHBondContact O-CB 3.5Å; L227-H230 PolarHBondContact O-N 3.05Å; K228-H230 VanDerWaalsContact C-N 3.33Å; K228-H230 PolarHBondContact O-N 2.66Å; H230-N234 WeakPolarHBondContact O-CB 3.39Å; H230-N234 PolarHBondContact O-N 2.87Å; H230-R253 WeakPolarHBondContact CE1-CG 3.35Å; H230-R253 VanDerWaalsContact NE2-CG 3.32Å; H230-R253 WeakPolarHBondContact NE2-CG 3.34Å; H230-R253 PolarHBondContact NE2-O 3.32Å; H230-L256 VanDerWaalsContact CD2-CB 3.49Å; H230-L256 WeakPolarHBondContact CD2-CB 3.42Å; H230-E257 IonicContact CE1-OE1 2.76Å; H230-E257 PolarHBondContact CE1-OE1 3.47Å; H230-E257 VanDerWaalsContact CE1-OE1 3.25Å; H230-E257 VanDerWaalsContact NE2-CG 3.29Å; H230-E257 WeakPolarHBondContact NE2-CG 3.32Å; H230-E257 IonicContact NE2-OE1 3.81Å; H230-P273 HydrophobicContact CB-CB 4.33Å; H230-P273 HydrophobicContact CB-CG 4.14Å; H230-P273 VanDerWaalsContact ND1-CG 3.32Å; H230-P273 WeakPolarHBondContact ND1-CG 3.31Å; H230-Y276 PolarHBondContact CE1-OH 3.29Å; H230-Y276 PolarHBondContact ND1-OH 3.41Å
231S79Confident72.3Confident14 Ų1465.4 Ų65.410%0.09832%0.315CS..Hα-helixtrans-66-44.7173.6-1520000109.9L227 K228 L229 N234 S235 E274L227-S231 WeakPolarHBondContact O-CB 3.14Å; L227-S231 PolarHBondContact O-N 3.35Å; K228-S231 PolarHBondContact O-N 3.06Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-S231 PolarHBondContact O-N 2.81Å; S231-N234 PolarHBondContact O-N 2.93Å; S231-N234 VanDerWaalsContact O-N 3.13Å; S231-S235 WeakPolarHBondContact O-CB 3.42Å; S231-S235 PolarHBondContact O-N 3.47Å; S231-E274 WeakPolarHBondContact CB-OE1 3.35Å; S231-E274 PolarHBondContact OG-OE1 2.73Å
232W75.8Confident72.4Confident52 Ų5258.5 Ų58.520%0.19729%0.29CS..Hα-helixtrans-60.4-46.8174.7-175.589.3000112.8A191 K228 L229 N234 S235 F236 F249A191-W232 HydrophobicContact CB-CH2 3.27Å; A191-W232 HydrophobicContact CB-CZ2 3.54Å; A191-W232 HydrophobicContact CB-CZ3 4.17Å; K228-W232 WeakPolarHBondContact O-CB 3.18Å; K228-W232 PolarHBondContact O-N 2.72Å; L229-W232 PolarHBondContact O-N 3.36Å; W232-N234 PolarHBondContact O-N 3.04Å; W232-S235 PolarHBondContact O-N 2.64Å; W232-F236 HydrophobicContact CZ2-CD2 4.08Å; W232-F236 PolarHBondContact O-N 3.21Å; W232-F249 AromaticContact CH2-CE1 3.53Å; W232-F249 HydrophobicContact CH2-CE1 3.53Å; W232-F249 AromaticContact CH2-CZ 3.69Å; W232-F249 HydrophobicContact CH2-CZ 3.69Å; W232-F249 HydrophobicContact CZ3-CD1 4.45Å; W232-F249 AromaticContact CZ3-CE1 3.58Å; W232-F249 HydrophobicContact CZ3-CE1 3.58Å; W232-F249 HydrophobicContact CZ3-CZ 4.03Å
233F75.9Confident72.2Confident2 Ų261.7 Ų61.71%0.00932%0.318CS..Hα-helixtrans-66.5-13.7175.8-82.6-74000114.4A195 I198 L229 F249 V252 L256A195-F233 HydrophobicContact CB-CE1 4.01Å; A195-F233 HydrophobicContact CB-CZ 4.01Å; I198-F233 HydrophobicContact CD1-CE2 3.77Å; I198-F233 HydrophobicContact CD1-CZ 4.21Å; L229-F233 WeakPolarHBondContact O-CD2 3.38Å; L229-F233 PolarHBondContact O-N 3.36Å; F233-F249 HydrophobicContact CD1-CB 4.36Å; F233-F249 AromaticContact CD1-CD1 3.54Å; F233-F249 HydrophobicContact CD1-CD1 3.54Å; F233-F249 AromaticContact CD1-CE1 3.96Å; F233-F249 HydrophobicContact CD1-CE1 3.96Å; F233-F249 AromaticContact CD1-CG 3.97Å; F233-F249 HydrophobicContact CD1-CG 3.97Å; F233-F249 HydrophobicContact CE1-CD1 4.06Å; F233-F249 HydrophobicContact CE1-CE1 4.16Å; F233-F249 HydrophobicContact CE1-CG 4.31Å; F233-V252 HydrophobicContact CD1-CB 4.07Å; F233-V252 HydrophobicContact CD1-CG1 3.87Å; F233-V252 HydrophobicContact CD2-CG1 3.85Å; F233-V252 HydrophobicContact CE1-CB 3.92Å; F233-V252 HydrophobicContact CE1-CG1 3.63Å; F233-V252 HydrophobicContact CE1-CG2 3.95Å; F233-V252 HydrophobicContact CE2-CG1 3.64Å; F233-V252 HydrophobicContact CG-CG1 4.02Å; F233-V252 HydrophobicContact CZ-CB 4.31Å; F233-V252 HydrophobicContact CZ-CG1 3.56Å; F233-V252 HydrophobicContact CZ-CG2 4.33Å; F233-L256 HydrophobicContact CD2-CD1 4.06Å
234N72.7Confident71.9Confident27 Ų2760.1 Ų60.114%0.14431%0.313CS..Hα-helixtrans-101.6-38.6174.3-92.2-27000113.5H230 S231 W232 F236 R253 P273 Y276H230-N234 WeakPolarHBondContact O-CB 3.39Å; H230-N234 PolarHBondContact O-N 2.87Å; S231-N234 PolarHBondContact O-N 2.93Å; S231-N234 VanDerWaalsContact O-N 3.13Å; W232-N234 PolarHBondContact O-N 3.04Å; N234-F236 VanDerWaalsContact C-N 3.29Å; N234-R253 WeakPolarHBondContact OD1-CD 3.47Å; N234-R253 PolarHBondContact OD1-NH1 3.25Å; N234-P273 WeakPolarHBondContact ND2-CD 3.36Å; N234-P273 VanDerWaalsContact ND2-CG 3.29Å; N234-P273 WeakPolarHBondContact ND2-CG 3.35Å; N234-Y276 PolarHBondContact ND2-OH 2.84Å
235S65.4Low71.7Confident52 Ų5251.5 Ų51.536%0.36428%0.281SS..Hα-helixtrans-76.2-18.1-176-172.20000112.5S231 W232 C237S231-S235 WeakPolarHBondContact O-CB 3.42Å; S231-S235 PolarHBondContact O-N 3.47Å; W232-S235 PolarHBondContact O-N 2.64Å; S235-C237 VanDerWaalsContact C-N 3.29Å; S235-C237 PolarHBondContact O-N 3.25Å
236F61.6Low71.7Confident80 Ų8049.8 Ų49.835%0.35127%0.272SS..SBendtrans-68.594.5159.9-138.6-55.4000108.1W232 N234 L238 M241 F249W232-F236 HydrophobicContact CZ2-CD2 4.08Å; W232-F236 PolarHBondContact O-N 3.21Å; N234-F236 VanDerWaalsContact C-N 3.29Å; F236-L238 PolarHBondContact O-N 3.37Å; F236-M241 HydrophobicContact CD1-CE 3.56Å; F236-M241 HydrophobicContact CD1-CG 3.94Å; F236-M241 HydrophobicContact CD2-CE 4.11Å; F236-M241 HydrophobicContact CE1-CE 3.46Å; F236-M241 VanDerWaalsContact CE1-CE 3.46Å; F236-M241 HydrophobicContact CE1-CG 4.34Å; F236-M241 HydrophobicContact CE2-CE 4Å; F236-M241 HydrophobicContact CG-CE 3.91Å; F236-M241 HydrophobicContact CZ-CE 3.69Å; F236-F249 HydrophobicContact CB-CE1 4.3Å
237C52.8Low71.7Confident71 Ų7153.1 Ų53.148%0.4829%0.286SS..  trans-48.6110.2-175.3-82.40000110.9S235 L239 E240S235-C237 VanDerWaalsContact C-N 3.29Å; S235-C237 PolarHBondContact O-N 3.25Å; C237-L239 PolarHBondContact O-N 2.75Å; C237-E240 PolarHBondContact O-N 3.31Å; C237-E240 VanDerWaalsContact O-N 3.08Å
238L55.7Low71.6Confident24 Ų2452.1 Ų52.113%0.12628%0.281CS..THydrogen-bonded Turntrans-67.419.6-178.7-59.2174000113.3F236 K246 F249 L250F236-L238 PolarHBondContact O-N 3.37Å; L238-K246 HydrophobicContact CB-CD 4.41Å; L238-K246 HydrophobicContact CB-CG 4.33Å; L238-K246 HydrophobicContact CD2-CG 4.42Å; L238-K246 WeakPolarHBondContact O-CD 3.44Å; L238-K246 WeakPolarHBondContact O-CE 3.24Å; L238-K246 PolarHBondContact O-NZ 3.18Å; L238-F249 HydrophobicContact CD2-CB 4.09Å; L238-L250 HydrophobicContact CD1-CD2 3.87Å; L238-L250 HydrophobicContact CD1-CG 4.29Å
239L54.9Low71.6Confident109 Ų10948 Ų4857%0.57126%0.263SS*.THydrogen-bonded Turntrans-103.3-33.9175.1-60.8174.4000111.2A148 F150 C237A148-L239 HydrophobicContact CB-CD1 3.97Å; F150-L239 HydrophobicContact CE1-CD2 4.05Å; F150-L239 HydrophobicContact CZ-CD1 4.43Å; F150-L239 HydrophobicContact CZ-CD2 3.7Å; F150-L239 HydrophobicContact CZ-CG 4.08Å; C237-L239 PolarHBondContact O-N 2.75Å
240E63Low71.8Confident143 Ų14346.6 Ų46.667%0.66826%0.256SS*.THydrogen-bonded Turntrans-90.2-20.3178.5-62.3178.6173.500112.4C237C237-E240 PolarHBondContact O-N 3.31Å; C237-E240 VanDerWaalsContact O-N 3.08Å
241M67.9Low71.9Confident19 Ų1947 Ų479%0.09426%0.259CS..SBendtrans-71.4132.2178.6-90.1-76.1166.900112.7L188 F236 L245 F249L188-M241 HydrophobicContact CD1-CE 4.44Å; F236-M241 HydrophobicContact CD1-CE 3.56Å; F236-M241 HydrophobicContact CD1-CG 3.94Å; F236-M241 HydrophobicContact CD2-CE 4.11Å; F236-M241 HydrophobicContact CE1-CE 3.46Å; F236-M241 VanDerWaalsContact CE1-CE 3.46Å; F236-M241 HydrophobicContact CE1-CG 4.34Å; F236-M241 HydrophobicContact CE2-CE 4Å; F236-M241 HydrophobicContact CG-CE 3.91Å; F236-M241 HydrophobicContact CZ-CE 3.69Å; M241-L245 HydrophobicContact SD-CB 3.65Å; M241-L245 HydrophobicContact SD-CD1 3.71Å; M241-L245 HydrophobicContact SD-CG 4.34Å; M241-F249 HydrophobicContact CE-CE1 4.41Å; M241-F249 HydrophobicContact CE-CE2 4.47Å; M241-F249 HydrophobicContact CE-CZ 4Å
242P73.7Confident72.2Confident49 Ų4946.3 Ų46.332%0.31825%0.254SS..  trans-48.5141.3168-29.135.2000112.4S244 L245 K246P242-S244 PolarHBondContact O-N 2.88Å; P242-L245 HydrophobicContact CG-CD1 4.37Å; P242-L245 PolarHBondContact O-N 2.83Å; P242-K246 PolarHBondContact O-N 3.37Å
243A77Confident72.6Confident79 Ų7945.6 Ų45.665%0.65325%0.251SS*.Hα-helixtrans-57.3-27.5-171.400000114.2Q247A243-Q247 PolarHBondContact O-N 2.67Å
244S74.5Confident73Confident36 Ų3651 Ų5125%0.25227%0.271SS..Hα-helixtrans-69.8-53.4173.147.10000112.8L43 P242 K246 Q247 I248L43-S244 WeakPolarHBondContact CD1-OG 3.48Å; P242-S244 PolarHBondContact O-N 2.88Å; S244-K246 PolarHBondContact O-N 2.87Å; S244-Q247 PolarHBondContact O-N 2.89Å; S244-Q247 VanDerWaalsContact O-N 3.1Å; S244-I248 PolarHBondContact O-N 2.78Å
245L75.6Confident73.6Confident11 Ų1151.6 Ų51.66%0.05827%0.273CS..Hα-helixtrans-59.3-37.8175.2-65.4-176.8000111.3L42 L46 M241 P242 Q247 I248 F249L42-L245 HydrophobicContact CD2-CD2 3.96Å; L46-L245 HydrophobicContact CD1-CD2 3.85Å; M241-L245 HydrophobicContact SD-CB 3.65Å; M241-L245 HydrophobicContact SD-CD1 3.71Å; M241-L245 HydrophobicContact SD-CG 4.34Å; P242-L245 HydrophobicContact CG-CD1 4.37Å; P242-L245 PolarHBondContact O-N 2.83Å; L245-Q247 VanDerWaalsContact C-N 3.3Å; L245-Q247 PolarHBondContact O-N 3.05Å; L245-I248 HydrophobicContact CD2-CD1 4.2Å; L245-I248 WeakPolarHBondContact O-CB 3.14Å; L245-I248 PolarHBondContact O-N 3.19Å; L245-F249 VanDerWaalsContact O-CD2 3.26Å; L245-F249 WeakPolarHBondContact O-CD2 3.2Å; L245-F249 PolarHBondContact O-N 3.45Å
246K77.6Confident74.4Confident61 Ų6150.2 Ų50.227%0.26526%0.261SS..Hα-helixtrans-54.6-40.4173.9-175.3170.4-177.9163.30113L238 P242 S244 L250L238-K246 HydrophobicContact CB-CD 4.41Å; L238-K246 HydrophobicContact CB-CG 4.33Å; L238-K246 HydrophobicContact CD2-CG 4.42Å; L238-K246 WeakPolarHBondContact O-CD 3.44Å; L238-K246 WeakPolarHBondContact O-CE 3.24Å; L238-K246 PolarHBondContact O-NZ 3.18Å; P242-K246 PolarHBondContact O-N 3.37Å; S244-K246 PolarHBondContact O-N 2.87Å; K246-L250 HydrophobicContact CG-CD1 4.1Å; K246-L250 VanDerWaalsContact O-CB 3.29Å; K246-L250 WeakPolarHBondContact O-CB 3.41Å; K246-L250 WeakPolarHBondContact O-CD1 3.49Å; K246-L250 WeakPolarHBondContact O-CG 3.38Å; K246-L250 PolarHBondContact O-N 3.38Å
247Q79.7Confident75.6Confident90 Ų9047 Ų4742%0.42125%0.247SC..Hα-helixtrans-70.1-34176.9-65.7-59.1-20.200113A243 S244 L245 S251A243-Q247 PolarHBondContact O-N 2.67Å; S244-Q247 PolarHBondContact O-N 2.89Å; S244-Q247 VanDerWaalsContact O-N 3.1Å; L245-Q247 VanDerWaalsContact C-N 3.3Å; L245-Q247 PolarHBondContact O-N 3.05Å; Q247-S251 VanDerWaalsContact O-CB 3.31Å; Q247-S251 WeakPolarHBondContact O-CB 3.42Å; Q247-S251 PolarHBondContact O-N 3.11Å; Q247-S251 PolarHBondContact O-OG 2.92Å
248I80.6Confident76.9Confident16 Ų1648.9 Ų48.98%0.08225%0.249CC..Hα-helixtrans-68.2-51176.6-68.4152.5000109.7L46 A195 L199 S244 L245 L250 S251 V252L46-I248 HydrophobicContact CB-CD1 3.92Å; L46-I248 HydrophobicContact CD1-CD1 3.62Å; L46-I248 HydrophobicContact CD2-CD1 3.86Å; L46-I248 HydrophobicContact CG-CD1 4Å; A195-I248 HydrophobicContact CB-CG2 4.33Å; L199-I248 HydrophobicContact CD1-CG2 3.89Å; S244-I248 PolarHBondContact O-N 2.78Å; L245-I248 HydrophobicContact CD2-CD1 4.2Å; L245-I248 WeakPolarHBondContact O-CB 3.14Å; L245-I248 PolarHBondContact O-N 3.19Å; I248-L250 VanDerWaalsContact C-N 3.35Å; I248-L250 PolarHBondContact O-N 3.13Å; I248-S251 CarbonylContact O-C 3.59Å; I248-S251 WeakPolarHBondContact O-CA 3.32Å; I248-S251 PolarHBondContact O-N 2.84Å; I248-V252 HydrophobicContact CG2-CG2 4.49Å; I248-V252 WeakPolarHBondContact O-CG2 3.48Å; I248-V252 PolarHBondContact O-N 3.27Å
249F80Confident77.8Confident2 Ų248.7 Ų48.71%0.00925%0.248CC..Hα-helixtrans-60.3-43.1177.8-80.6-123.2000111.2W232 F233 F236 L238 M241 L245 S251 V252 R253W232-F249 AromaticContact CH2-CE1 3.53Å; W232-F249 HydrophobicContact CH2-CE1 3.53Å; W232-F249 AromaticContact CH2-CZ 3.69Å; W232-F249 HydrophobicContact CH2-CZ 3.69Å; W232-F249 HydrophobicContact CZ3-CD1 4.45Å; W232-F249 AromaticContact CZ3-CE1 3.58Å; W232-F249 HydrophobicContact CZ3-CE1 3.58Å; W232-F249 HydrophobicContact CZ3-CZ 4.03Å; F233-F249 HydrophobicContact CD1-CB 4.36Å; F233-F249 AromaticContact CD1-CD1 3.54Å; F233-F249 HydrophobicContact CD1-CD1 3.54Å; F233-F249 AromaticContact CD1-CE1 3.96Å; F233-F249 HydrophobicContact CD1-CE1 3.96Å; F233-F249 AromaticContact CD1-CG 3.97Å; F233-F249 HydrophobicContact CD1-CG 3.97Å; F233-F249 HydrophobicContact CE1-CD1 4.06Å; F233-F249 HydrophobicContact CE1-CE1 4.16Å; F233-F249 HydrophobicContact CE1-CG 4.31Å; F236-F249 HydrophobicContact CB-CE1 4.3Å; L238-F249 HydrophobicContact CD2-CB 4.09Å; M241-F249 HydrophobicContact CE-CE1 4.41Å; M241-F249 HydrophobicContact CE-CE2 4.47Å; M241-F249 HydrophobicContact CE-CZ 4Å; L245-F249 VanDerWaalsContact O-CD2 3.26Å; L245-F249 WeakPolarHBondContact O-CD2 3.2Å; L245-F249 PolarHBondContact O-N 3.45Å; F249-S251 VanDerWaalsContact C-N 3.25Å; F249-S251 PolarHBondContact O-N 3.31Å; F249-V252 PolarHBondContact O-N 2.82Å; F249-R253 VanDerWaalsContact O-CB 3.24Å; F249-R253 WeakPolarHBondContact O-CB 3.46Å; F249-R253 PolarHBondContact O-N 2.64Å
250L81.6Confident79.1Confident42 Ų4245.3 Ų45.322%0.2223%0.228CC..Hα-helixtrans-62.3-28.6173-75.3171.1000113.7L238 K246 I248 R254L238-L250 HydrophobicContact CD1-CD2 3.87Å; L238-L250 HydrophobicContact CD1-CG 4.29Å; K246-L250 HydrophobicContact CG-CD1 4.1Å; K246-L250 VanDerWaalsContact O-CB 3.29Å; K246-L250 WeakPolarHBondContact O-CB 3.41Å; K246-L250 WeakPolarHBondContact O-CD1 3.49Å; K246-L250 WeakPolarHBondContact O-CG 3.38Å; K246-L250 PolarHBondContact O-N 3.38Å; I248-L250 VanDerWaalsContact C-N 3.35Å; I248-L250 PolarHBondContact O-N 3.13Å; L250-R254 WeakPolarHBondContact O-CB 3.15Å; L250-R254 PolarHBondContact O-N 3.2Å
251S84.6Confident80.1Confident8 Ų840.6 Ų40.66%0.05621%0.209CC..Hα-helixtrans-83.2-37.9177.8-60.10000112.3Q247 I248 F249 R254 K255Q247-S251 VanDerWaalsContact O-CB 3.31Å; Q247-S251 WeakPolarHBondContact O-CB 3.42Å; Q247-S251 PolarHBondContact O-N 3.11Å; Q247-S251 PolarHBondContact O-OG 2.92Å; I248-S251 CarbonylContact O-C 3.59Å; I248-S251 WeakPolarHBondContact O-CA 3.32Å; I248-S251 PolarHBondContact O-N 2.84Å; F249-S251 VanDerWaalsContact C-N 3.25Å; F249-S251 PolarHBondContact O-N 3.31Å; S251-R254 PolarHBondContact OG-NH2 2.73Å; S251-K255 WeakPolarHBondContact O-CB 3.33Å; S251-K255 PolarHBondContact O-N 3.2Å; S251-K255 VanDerWaalsContact O-N 3.11Å
252V85.3Confident81.2Confident0 Ų041.3 Ų41.30%021%0.213CC..Hα-helixtrans-58.2-50.6168.6176.20000109.8A195 I198 L199 F233 I248 F249 R254 K255 L256A195-V252 HydrophobicContact CB-CG2 3.59Å; I198-V252 HydrophobicContact CB-CG1 4.06Å; I198-V252 HydrophobicContact CD1-CG1 3.6Å; I198-V252 HydrophobicContact CG1-CG1 4.44Å; I198-V252 HydrophobicContact CG2-CG1 3.88Å; L199-V252 HydrophobicContact CD1-CG2 3.77Å; L199-V252 HydrophobicContact CD2-CG2 4.31Å; L199-V252 HydrophobicContact CG-CG2 3.76Å; F233-V252 HydrophobicContact CD1-CB 4.07Å; F233-V252 HydrophobicContact CD1-CG1 3.87Å; F233-V252 HydrophobicContact CD2-CG1 3.85Å; F233-V252 HydrophobicContact CE1-CB 3.92Å; F233-V252 HydrophobicContact CE1-CG1 3.63Å; F233-V252 HydrophobicContact CE1-CG2 3.95Å; F233-V252 HydrophobicContact CE2-CG1 3.64Å; F233-V252 HydrophobicContact CG-CG1 4.02Å; F233-V252 HydrophobicContact CZ-CB 4.31Å; F233-V252 HydrophobicContact CZ-CG1 3.56Å; F233-V252 HydrophobicContact CZ-CG2 4.33Å; I248-V252 HydrophobicContact CG2-CG2 4.49Å; I248-V252 WeakPolarHBondContact O-CG2 3.48Å; I248-V252 PolarHBondContact O-N 3.27Å; F249-V252 PolarHBondContact O-N 2.82Å; V252-R254 PolarHBondContact O-N 3.46Å; V252-K255 CarbonylContact O-C 3.45Å; V252-K255 PolarHBondContact O-N 3.13Å; V252-L256 HydrophobicContact CG1-CD1 4.1Å; V252-L256 HydrophobicContact CG1-CG 4.31Å; V252-L256 PolarHBondContact O-N 3.02Å
253R85Confident82.2Confident37 Ų3739 Ų3914%0.1420%0.198CC..Hα-helixtrans-52.9-55.6178.7-164178.171.5171.13.9111.5H230 N234 F249 K255 L256 E257H230-R253 WeakPolarHBondContact CE1-CG 3.35Å; H230-R253 VanDerWaalsContact NE2-CG 3.32Å; H230-R253 WeakPolarHBondContact NE2-CG 3.34Å; H230-R253 PolarHBondContact NE2-O 3.32Å; N234-R253 WeakPolarHBondContact OD1-CD 3.47Å; N234-R253 PolarHBondContact OD1-NH1 3.25Å; F249-R253 VanDerWaalsContact O-CB 3.24Å; F249-R253 WeakPolarHBondContact O-CB 3.46Å; F249-R253 PolarHBondContact O-N 2.64Å; R253-K255 PolarHBondContact O-N 3.11Å; R253-K255 VanDerWaalsContact O-N 3.13Å; R253-L256 PolarHBondContact O-N 2.89Å; R253-E257 VanDerWaalsContact O-CG 3.28Å; R253-E257 WeakPolarHBondContact O-CG 3.18Å; R253-E257 PolarHBondContact O-N 2.94Å
254R84.2Confident82.8Confident114 Ų11437.9 Ų37.943%0.4319%0.189SC..Hα-helixtrans-51.9-38.4175.9-169.2-163-44.2139.216112.5L250 S251 V252 E257 E258L250-R254 WeakPolarHBondContact O-CB 3.15Å; L250-R254 PolarHBondContact O-N 3.2Å; S251-R254 PolarHBondContact OG-NH2 2.73Å; V252-R254 PolarHBondContact O-N 3.46Å; R254-E257 CarbonylContact O-C 3.57Å; R254-E257 PolarHBondContact O-N 3.48Å; R254-E258 PolarHBondContact O-N 3.37Å
255K84.4Confident83.8Confident41 Ų4137.5 Ų37.518%0.17818%0.183CC..Hα-helixtrans-82.7-29.8-176-167171.8-175.8-162.50114I198 L199 S201 S251 V252 R253I198-K255 HydrophobicContact CG2-CB 4.45Å; I198-K255 WeakPolarHBondContact O-CD 3.24Å; I198-K255 WeakPolarHBondContact O-CE 3.4Å; I198-K255 PolarHBondContact O-NZ 2.97Å; L199-K255 PolarHBondContact O-NZ 3.13Å; S201-K255 WeakPolarHBondContact O-CE 3.29Å; S201-K255 PolarHBondContact O-NZ 2.96Å; S251-K255 WeakPolarHBondContact O-CB 3.33Å; S251-K255 PolarHBondContact O-N 3.2Å; S251-K255 VanDerWaalsContact O-N 3.11Å; V252-K255 CarbonylContact O-C 3.45Å; V252-K255 PolarHBondContact O-N 3.13Å; R253-K255 PolarHBondContact O-N 3.11Å; R253-K255 VanDerWaalsContact O-N 3.13Å
256L83.6Confident84.4Confident23 Ų2337 Ų3712%0.1218%0.18CC..Hα-helixtrans-63.3-34.8164.7-67.7173000110.5I198 W222 H230 F233 V252 R253 Y260I198-L256 HydrophobicContact CD1-CD1 4.37Å; I198-L256 HydrophobicContact CD1-CD2 3.99Å; I198-L256 HydrophobicContact CD1-CG 4.4Å; I198-L256 HydrophobicContact CG1-CD2 4.24Å; I198-L256 HydrophobicContact CG2-CD2 3.95Å; I198-L256 HydrophobicContact CG2-CG 4.13Å; W222-L256 HydrophobicContact CH2-CB 4.38Å; W222-L256 HydrophobicContact CZ3-CB 4.44Å; H230-L256 VanDerWaalsContact CD2-CB 3.49Å; H230-L256 WeakPolarHBondContact CD2-CB 3.42Å; F233-L256 HydrophobicContact CD2-CD1 4.06Å; V252-L256 HydrophobicContact CG1-CD1 4.1Å; V252-L256 HydrophobicContact CG1-CG 4.31Å; V252-L256 PolarHBondContact O-N 3.02Å; R253-L256 PolarHBondContact O-N 2.89Å; L256-Y260 WeakPolarHBondContact O-CD2 2.93Å; L256-Y260 VanDerWaalsContact O-CE2 3.24Å; L256-Y260 WeakPolarHBondContact O-CE2 3.28Å
257E85.7Confident84.9Confident11 Ų1137.1 Ų37.15%0.05118%0.179CC..Hα-helixtrans-82.9-19.1-178.7-66.4163.7140.700114.9W222 H230 R253 R254 D259 Y260 L262 R267 Y276W222-E257 HydrophobicContact CH2-CB 4.48Å; W222-E257 HydrophobicContact CH2-CG 3.78Å; W222-E257 HydrophobicContact CZ2-CG 4.05Å; H230-E257 IonicContact CE1-OE1 2.76Å; H230-E257 PolarHBondContact CE1-OE1 3.47Å; H230-E257 VanDerWaalsContact CE1-OE1 3.25Å; H230-E257 VanDerWaalsContact NE2-CG 3.29Å; H230-E257 WeakPolarHBondContact NE2-CG 3.32Å; H230-E257 IonicContact NE2-OE1 3.81Å; R253-E257 VanDerWaalsContact O-CG 3.28Å; R253-E257 WeakPolarHBondContact O-CG 3.18Å; R253-E257 PolarHBondContact O-N 2.94Å; R254-E257 CarbonylContact O-C 3.57Å; R254-E257 PolarHBondContact O-N 3.48Å; E257-D259 PolarHBondContact O-N 2.82Å; E257-Y260 PolarHBondContact O-N 3.03Å; E257-Y260 VanDerWaalsContact O-N 3.09Å; E257-L262 HydrophobicContact CB-CD2 3.93Å; E257-L262 HydrophobicContact CG-CD2 3.89Å; E257-R267 VanDerWaalsContact OE1-CD 3.32Å; E257-R267 WeakPolarHBondContact OE1-CD 3.18Å; E257-R267 IonicContact OE1-CZ 3.96Å; E257-R267 IonicContact OE1-NE 2.6Å; E257-R267 PolarHBondContact OE1-NE 3.39Å; E257-R267 IonicContact OE1-NH2 2.78Å; E257-R267 IonicContact OE2-CZ 2.67Å; E257-R267 IonicContact OE2-NE 3.57Å; E257-R267 PolarHBondContact OE2-NE 3.02Å; E257-R267 IonicContact OE2-NH2 2.89Å; E257-R267 PolarHBondContact OE2-NH2 2.89Å; E257-Y276 WeakPolarHBondContact OE1-CE2 3.26Å; E257-Y276 PolarHBondContact OE1-OH 2.86Å
258E81Confident85.2Confident112 Ų11237.2 Ų37.252%0.52318%0.182SC..THydrogen-bonded Turntrans-49.6-28.5-171.1-101.5175.4-148.900115.2R254R254-E258 PolarHBondContact O-N 3.37Å
259D74.7Confident85.4Confident20 Ų2038.4 Ų38.411%0.10719%0.189CC..THydrogen-bonded Turntrans-109.42.2-168.2-138.5-11.8000113.2K204 H217 K220 E257K204-D259 WeakPolarHBondContact CB-OD2 3.49Å; H217-D259 IonicContact CE1-OD1 3.19Å; H217-D259 PolarHBondContact CE1-OD1 2.98Å; H217-D259 IonicContact ND1-OD1 3.25Å; H217-D259 PolarHBondContact ND1-OD1 3.3Å; K220-D259 WeakPolarHBondContact CD-O 3.25Å; K220-D259 IonicContact NZ-OD1 3.18Å; K220-D259 PolarHBondContact NZ-OD1 2.99Å; K220-D259 IonicContact NZ-OD2 3.16Å; K220-D259 PolarHBondContact NZ-OD2 2.92Å; E257-D259 PolarHBondContact O-N 2.82Å
260Y80.6Confident85.5Confident37 Ų3740.8 Ų40.815%0.14521%0.214CC..SBendtrans-119.4151.5-169.3-67.9-82.3000113.7K220 W222 L256 E257K220-Y260 HydrophobicContact CB-CD1 3.87Å; K220-Y260 HydrophobicContact CB-CE1 3.93Å; K220-Y260 VanDerWaalsContact O-CD1 3.25Å; K220-Y260 WeakPolarHBondContact O-CD1 3.43Å; W222-Y260 HydrophobicContact CB-CE1 4.45Å; W222-Y260 AromaticContact CD1-CD1 3.49Å; W222-Y260 VanDerWaalsContact CD1-CD1 3.49Å; W222-Y260 AromaticContact CD1-CE1 3.84Å; W222-Y260 AromaticContact CD1-CG 3.97Å; W222-Y260 HydrophobicContact CD2-CD1 4.16Å; W222-Y260 HydrophobicContact CD2-CD2 4.21Å; W222-Y260 HydrophobicContact CD2-CE1 4.16Å; W222-Y260 HydrophobicContact CD2-CE2 4.17Å; W222-Y260 HydrophobicContact CD2-CG 4.19Å; W222-Y260 AromaticContact CE2-CD1 3.77Å; W222-Y260 AromaticContact CE2-CD2 3.63Å; W222-Y260 AromaticContact CE2-CG 3.45Å; W222-Y260 VanDerWaalsContact CE2-CG 3.45Å; W222-Y260 HydrophobicContact CE3-CE2 4.36Å; W222-Y260 AromaticContact CG-CD1 3.98Å; W222-Y260 HydrophobicContact CG-CD1 3.98Å; W222-Y260 AromaticContact CG-CE1 3.9Å; W222-Y260 HydrophobicContact CG-CE1 3.9Å; W222-Y260 HydrophobicContact CG-CG 4.46Å; W222-Y260 HydrophobicContact CH2-CD2 4.03Å; W222-Y260 HydrophobicContact CH2-CE2 4.32Å; W222-Y260 HydrophobicContact CZ2-CD1 4.47Å; W222-Y260 AromaticContact CZ2-CD2 3.54Å; W222-Y260 HydrophobicContact CZ2-CD2 3.54Å; W222-Y260 HydrophobicContact CZ2-CE2 4.16Å; W222-Y260 AromaticContact CZ2-CG 3.71Å; W222-Y260 HydrophobicContact CZ2-CG 3.71Å; W222-Y260 HydrophobicContact CZ3-CE2 4.43Å; W222-Y260 AromaticContact NE1-CD1 3.34Å; W222-Y260 VanDerWaalsContact NE1-CD1 3.34Å; W222-Y260 AromaticContact NE1-CG 3.32Å; W222-Y260 VanDerWaalsContact NE1-CG 3.32Å; L256-Y260 WeakPolarHBondContact O-CD2 2.93Å; L256-Y260 VanDerWaalsContact O-CE2 3.24Å; L256-Y260 WeakPolarHBondContact O-CE2 3.28Å; E257-Y260 PolarHBondContact O-N 3.03Å; E257-Y260 VanDerWaalsContact O-N 3.09Å
261V84.6Confident85.6Confident44 Ų4441.4 Ų41.427%0.26722%0.216SC..  trans-86136.6168.3169.10000109.5R218 E280R218-V261 HydrophobicContact CB-CG2 4.19Å; R218-V261 HydrophobicContact CG-CG2 4.25Å; V261-E280 VanDerWaalsContact CG1-CD 3.47Å; V261-E280 HydrophobicContact CG1-CG 3.31Å
262L91Very high85.5Confident34 Ų3444.2 Ų44.218%0.17823%0.23CC..  trans-158.5162-177.16080.5000112.9E257 A264 R267 Y276 H279E257-L262 HydrophobicContact CB-CD2 3.93Å; E257-L262 HydrophobicContact CG-CD2 3.89Å; L262-A264 PolarHBondContact O-N 3Å; L262-R267 HydrophobicContact CD1-CB 4.3Å; L262-Y276 HydrophobicContact CB-CD2 4.13Å; L262-Y276 HydrophobicContact CD2-CD2 4.36Å; L262-Y276 HydrophobicContact CD2-CE2 4.12Å; L262-H279 CarbonylContact C-O 3.47Å
263C94.1Very high85.5Confident0 Ų044.2 Ų44.20%023%0.23CC..  trans-79.397.5173.8-171.70000111.3F265 C266 R267 Y276 H279C263-F265 PolarHBondContact O-N 3.41Å; C263-F265 VanDerWaalsContact O-N 3.15Å; C263-C266 HydrophobicContact CB-CB 4.1Å; C263-C266 PolarHBondContact O-N 3.23Å; C263-C266 VanDerWaalsContact SG-SG 3.65Å; C263-R267 WeakPolarHBondContact O-CB 3.32Å; C263-R267 PolarHBondContact O-N 2.82Å; C263-Y276 WeakPolarHBondContact CB-O 3.34Å; C263-Y276 PolarHBondContact N-O 2.92Å; C263-H279 WeakPolarHBondContact CA-O 3.38Å; C263-H279 WeakPolarHBondContact CB-CD2 3.25Å; C263-H279 VanDerWaalsContact CB-NE2 3.34Å; C263-H279 WeakPolarHBondContact CB-NE2 3.32Å; C263-H279 WeakPolarHBondContact CB-O 3.29Å; C263-H279 PolarHBondContact N-O 3.06Å; C263-H279 VanDerWaalsContact SG-CD2 3.53Å; C263-H279 PolarHBondContact SG-NE2 3.37Å; C263-H279 VanDerWaalsContact SG-NE2 3.39Å
264A91.4Very high85.4Confident56 Ų5645.2 Ų45.246%0.46324%0.236SC..Hα-helixtrans-57.1-28.5176.300000113.5L262 N268 V281L262-A264 PolarHBondContact O-N 3Å; A264-N268 WeakPolarHBondContact O-CB 3.21Å; A264-N268 PolarHBondContact O-N 2.71Å; A264-V281 HydrophobicContact CB-CG2 4.08Å
265F93.6Very high85.5Confident29 Ų2942.3 Ų42.313%0.12723%0.228CC..Hα-helixtrans-69.1-55.6177.2-177-107.6000111.9C263 R267 N268 N269 V281 V292 L293 T310C263-F265 PolarHBondContact O-N 3.41Å; C263-F265 VanDerWaalsContact O-N 3.15Å; F265-R267 VanDerWaalsContact C-N 3.34Å; F265-R267 PolarHBondContact O-N 3.3Å; F265-N268 PolarHBondContact O-N 2.71Å; F265-N268 VanDerWaalsContact O-N 3.16Å; F265-N269 VanDerWaalsContact CE1-ND2 3.31Å; F265-N269 WeakPolarHBondContact CE1-ND2 3.24Å; F265-N269 WeakPolarHBondContact CZ-ND2 2.9Å; F265-N269 PolarHBondContact O-N 3.32Å; F265-V281 HydrophobicContact CB-CG1 4.4Å; F265-V281 HydrophobicContact CB-CG2 4.19Å; F265-V292 HydrophobicContact CD1-CB 4.49Å; F265-V292 HydrophobicContact CE1-CB 4.24Å; F265-V292 HydrophobicContact CE1-CG1 3.94Å; F265-L293 HydrophobicContact CD1-CB 3.95Å; F265-L293 HydrophobicContact CE1-CB 3.89Å; F265-L293 HydrophobicContact CE1-CD1 4.17Å; F265-L293 HydrophobicContact CE2-CD1 4.21Å; F265-L293 HydrophobicContact CZ-CD1 3.92Å; F265-T310 HydrophobicContact CE2-CG2 3.82Å; F265-T310 HydrophobicContact CZ-CG2 4.32Å
266C90.1Very high85.8Confident0 Ų040.4 Ų40.40%022%0.22CC..Hα-helixtrans-60.3-43.1176.9-65.60000111.7C263 N268 N269 G270 E271 H279 C290C263-C266 HydrophobicContact CB-CB 4.1Å; C263-C266 PolarHBondContact O-N 3.23Å; C263-C266 VanDerWaalsContact SG-SG 3.65Å; C266-N268 VanDerWaalsContact C-N 3.33Å; C266-N268 PolarHBondContact O-N 2.91Å; C266-N269 CarbonylContact O-C 3.59Å; C266-N269 WeakPolarHBondContact O-CA 3.43Å; C266-N269 PolarHBondContact O-N 2.93Å; C266-N269 VanDerWaalsContact O-N 3.08Å; C266-G270 PolarHBondContact O-N 3.28Å; C266-E271 HydrophobicContact CB-CB 4.04Å; C266-E271 HydrophobicContact CB-CG 3.88Å; C266-E271 WeakPolarHBondContact O-CB 3.24Å; C266-E271 WeakPolarHBondContact O-CG 3.18Å; C266-E271 PolarHBondContact O-N 3Å; C266-E271 VanDerWaalsContact O-N 3.11Å; C266-H279 PolarHBondContact SG-NE2 3.28Å; C266-C290 PolarHBondContact SG-SG 3.3Å
267R87.9Confident86Confident64 Ų6441 Ų4124%0.24222%0.223CC..Hα-helixtrans-59.3-39.9174.4-179.2-177.7172.8-88.57.4112.9E257 L262 C263 F265 N269 G270 Y276E257-R267 VanDerWaalsContact OE1-CD 3.32Å; E257-R267 WeakPolarHBondContact OE1-CD 3.18Å; E257-R267 IonicContact OE1-CZ 3.96Å; E257-R267 IonicContact OE1-NE 2.6Å; E257-R267 PolarHBondContact OE1-NE 3.39Å; E257-R267 IonicContact OE1-NH2 2.78Å; E257-R267 IonicContact OE2-CZ 2.67Å; E257-R267 IonicContact OE2-NE 3.57Å; E257-R267 PolarHBondContact OE2-NE 3.02Å; E257-R267 IonicContact OE2-NH2 2.89Å; E257-R267 PolarHBondContact OE2-NH2 2.89Å; L262-R267 HydrophobicContact CD1-CB 4.3Å; C263-R267 WeakPolarHBondContact O-CB 3.32Å; C263-R267 PolarHBondContact O-N 2.82Å; F265-R267 VanDerWaalsContact C-N 3.34Å; F265-R267 PolarHBondContact O-N 3.3Å; R267-N269 VanDerWaalsContact C-N 3.33Å; R267-G270 PolarHBondContact O-N 3.16Å; R267-Y276 HydrophobicContact CB-CD1 3.95Å; R267-Y276 HydrophobicContact CB-CD2 3.95Å; R267-Y276 HydrophobicContact CB-CE1 4.12Å; R267-Y276 HydrophobicContact CB-CE2 4.11Å; R267-Y276 HydrophobicContact CB-CG 3.84Å; R267-Y276 HydrophobicContact CG-CD1 4.4Å; R267-Y276 HydrophobicContact CG-CD2 4.34Å; R267-Y276 HydrophobicContact CG-CE1 4.06Å; R267-Y276 HydrophobicContact CG-CE2 3.98Å
268N86.3Confident86.2Confident92 Ų9244.1 Ų44.149%0.49224%0.243SC..Hα-helixtrans-71.4-30.1175.8-170.388.4000111.9N152 A264 F265 C266 G270N152-N268 PolarHBondContact ND2-O 2.66Å; A264-N268 WeakPolarHBondContact O-CB 3.21Å; A264-N268 PolarHBondContact O-N 2.71Å; F265-N268 PolarHBondContact O-N 2.71Å; F265-N268 VanDerWaalsContact O-N 3.16Å; C266-N268 VanDerWaalsContact C-N 3.33Å; C266-N268 PolarHBondContact O-N 2.91Å; N268-G270 PolarHBondContact O-N 3.11Å
269N84.6Confident86.7Confident41 Ų4140.1 Ų40.122%0.21922%0.224CC..THydrogen-bonded Turntrans-74.4-2174.2-68-11.7000114.3N152 F265 C266 R267 E271N152-N269 WeakPolarHBondContact ND2-CA 3.28Å; N152-N269 PolarHBondContact ND2-OD1 3.11Å; F265-N269 VanDerWaalsContact CE1-ND2 3.31Å; F265-N269 WeakPolarHBondContact CE1-ND2 3.24Å; F265-N269 WeakPolarHBondContact CZ-ND2 2.9Å; F265-N269 PolarHBondContact O-N 3.32Å; C266-N269 CarbonylContact O-C 3.59Å; C266-N269 WeakPolarHBondContact O-CA 3.43Å; C266-N269 PolarHBondContact O-N 2.93Å; C266-N269 VanDerWaalsContact O-N 3.08Å; R267-N269 VanDerWaalsContact C-N 3.33Å; N269-E271 VanDerWaalsContact C-N 3.29Å; N269-E271 HydrophobicContact CB-CG 4.38Å
270G82.4Confident87.6Confident52 Ų5242.6 Ų42.654%0.53624%0.235SC..THydrogen-bonded Turntrans75.917-179.600000113.6C266 R267 N268C266-G270 PolarHBondContact O-N 3.28Å; R267-G270 PolarHBondContact O-N 3.16Å; N268-G270 PolarHBondContact O-N 3.11Å
271E83.4Confident88.3Confident55 Ų5542.7 Ų42.726%0.25724%0.24SC..  trans-60.5157.2170.6-60.2-63.8168.600110.6C266 N269 I275 Y276C266-E271 HydrophobicContact CB-CB 4.04Å; C266-E271 HydrophobicContact CB-CG 3.88Å; C266-E271 WeakPolarHBondContact O-CB 3.24Å; C266-E271 WeakPolarHBondContact O-CG 3.18Å; C266-E271 PolarHBondContact O-N 3Å; C266-E271 VanDerWaalsContact O-N 3.11Å; N269-E271 VanDerWaalsContact C-N 3.29Å; N269-E271 HydrophobicContact CB-CG 4.38Å; E271-I275 HydrophobicContact CB-CB 4.28Å; E271-I275 HydrophobicContact CB-CD1 4.33Å; E271-I275 HydrophobicContact CB-CG2 4.26Å; E271-I275 WeakPolarHBondContact OE2-CD1 3.5Å; E271-Y276 WeakPolarHBondContact O-CD1 3.39Å; E271-Y276 WeakPolarHBondContact O-CE1 3.46Å
272L82.8Confident88.7Confident66 Ų6646.4 Ų46.435%0.34625%0.249SC..  trans-69152.9179.2-67176.1000112.2E274 I275 Y276L272-E274 PolarHBondContact O-N 3.08Å; L272-I275 HydrophobicContact CB-CD1 4.41Å; L272-I275 WeakPolarHBondContact O-CA 3.37Å; L272-I275 WeakPolarHBondContact O-CB 3.31Å; L272-I275 PolarHBondContact O-N 2.85Å; L272-Y276 WeakPolarHBondContact O-CD1 3.29Å; L272-Y276 PolarHBondContact O-N 2.94Å; L272-Y276 VanDerWaalsContact O-N 3.09Å
273P84Confident88.9Confident0 Ų046.9 Ų46.90%025%0.252CS..Hα-helixtrans-49.6-46.3175.6-28.336.2000112.7L227 H230 N234 I275 Y276 I277L227-P273 HydrophobicContact CD2-CB 4.06Å; H230-P273 HydrophobicContact CB-CB 4.33Å; H230-P273 HydrophobicContact CB-CG 4.14Å; H230-P273 VanDerWaalsContact ND1-CG 3.32Å; H230-P273 WeakPolarHBondContact ND1-CG 3.31Å; N234-P273 WeakPolarHBondContact ND2-CD 3.36Å; N234-P273 VanDerWaalsContact ND2-CG 3.29Å; N234-P273 WeakPolarHBondContact ND2-CG 3.35Å; P273-I275 CarbonylContact O-C 3.59Å; P273-I275 PolarHBondContact O-N 3.48Å; P273-Y276 HydrophobicContact CB-CE1 4.48Å; P273-Y276 HydrophobicContact CG-CE1 4.31Å; P273-Y276 PolarHBondContact O-N 3.35Å; P273-Y276 VanDerWaalsContact O-N 3.09Å; P273-I277 WeakPolarHBondContact O-CG1 3.11Å; P273-I277 WeakPolarHBondContact O-CG2 3.33Å; P273-I277 PolarHBondContact O-N 3.22Å
274E83.3Confident88.8Confident58 Ų5854.2 Ų54.227%0.27129%0.286SS..Hα-helixtrans-55.3-23.3178.9-64.474.4-166.200112.9L227 S231 L272 T278L227-E274 HydrophobicContact CD2-CG 4.17Å; S231-E274 WeakPolarHBondContact CB-OE1 3.35Å; S231-E274 PolarHBondContact OG-OE1 2.73Å; L272-E274 PolarHBondContact O-N 3.08Å; E274-T278 VanDerWaalsContact O-CG2 3.24Å; E274-T278 WeakPolarHBondContact O-CG2 3.36Å
275I86.5Confident88.9Confident53 Ų5357.1 Ų57.127%0.27229%0.294SS..Hα-helixtrans-88.9-56172.5-58.7172.3000109.9E271 L272 P273 I277 T278 H279E271-I275 HydrophobicContact CB-CB 4.28Å; E271-I275 HydrophobicContact CB-CD1 4.33Å; E271-I275 HydrophobicContact CB-CG2 4.26Å; E271-I275 WeakPolarHBondContact OE2-CD1 3.5Å; L272-I275 HydrophobicContact CB-CD1 4.41Å; L272-I275 WeakPolarHBondContact O-CA 3.37Å; L272-I275 WeakPolarHBondContact O-CB 3.31Å; L272-I275 PolarHBondContact O-N 2.85Å; P273-I275 CarbonylContact O-C 3.59Å; P273-I275 PolarHBondContact O-N 3.48Å; I275-I277 PolarHBondContact O-N 3.2Å; I275-T278 PolarHBondContact O-N 3.45Å; I275-T278 PolarHBondContact O-OG1 2.9Å; I275-H279 PolarHBondContact O-CE1 2.7Å; I275-H279 PolarHBondContact O-ND1 2.98Å
276Y89.6Confident88.9Confident1 Ų157.7 Ų57.70%0.00431%0.307CS..Hα-helixtrans-77.5-13.3-167.466.4-113.7000115.6H230 N234 E257 L262 C263 R267 E271 L272 P273 T278H230-Y276 PolarHBondContact CE1-OH 3.29Å; H230-Y276 PolarHBondContact ND1-OH 3.41Å; N234-Y276 PolarHBondContact ND2-OH 2.84Å; E257-Y276 WeakPolarHBondContact OE1-CE2 3.26Å; E257-Y276 PolarHBondContact OE1-OH 2.86Å; L262-Y276 HydrophobicContact CB-CD2 4.13Å; L262-Y276 HydrophobicContact CD2-CD2 4.36Å; L262-Y276 HydrophobicContact CD2-CE2 4.12Å; C263-Y276 WeakPolarHBondContact CB-O 3.34Å; C263-Y276 PolarHBondContact N-O 2.92Å; R267-Y276 HydrophobicContact CB-CD1 3.95Å; R267-Y276 HydrophobicContact CB-CD2 3.95Å; R267-Y276 HydrophobicContact CB-CE1 4.12Å; R267-Y276 HydrophobicContact CB-CE2 4.11Å; R267-Y276 HydrophobicContact CB-CG 3.84Å; R267-Y276 HydrophobicContact CG-CD1 4.4Å; R267-Y276 HydrophobicContact CG-CD2 4.34Å; R267-Y276 HydrophobicContact CG-CE1 4.06Å; R267-Y276 HydrophobicContact CG-CE2 3.98Å; E271-Y276 WeakPolarHBondContact O-CD1 3.39Å; E271-Y276 WeakPolarHBondContact O-CE1 3.46Å; L272-Y276 WeakPolarHBondContact O-CD1 3.29Å; L272-Y276 PolarHBondContact O-N 2.94Å; L272-Y276 VanDerWaalsContact O-N 3.09Å; P273-Y276 HydrophobicContact CB-CE1 4.48Å; P273-Y276 HydrophobicContact CG-CE1 4.31Å; P273-Y276 PolarHBondContact O-N 3.35Å; P273-Y276 VanDerWaalsContact O-N 3.09Å; Y276-T278 VanDerWaalsContact C-N 3.33Å
277I88.4Confident89.2Confident36 Ų3662.6 Ų62.619%0.18533%0.326CS..THydrogen-bonded Turntrans-83.2-7.8173.372.5162.2000113.7W222 L227 P273 I275W222-I277 HydrophobicContact CB-CD1 3.6Å; W222-I277 HydrophobicContact CD2-CD1 4.33Å; W222-I277 HydrophobicContact CD2-CG2 4.09Å; W222-I277 HydrophobicContact CG-CB 4.45Å; W222-I277 HydrophobicContact CG-CD1 3.54Å; W222-I277 HydrophobicContact CG-CG2 4.22Å; W222-I277 HydrophobicContact CZ2-CG2 4.08Å; W222-I277 VanDerWaalsContact NE1-CG2 3.32Å; L227-I277 HydrophobicContact CD1-CD1 4.14Å; L227-I277 HydrophobicContact CD2-CD1 3.78Å; L227-I277 HydrophobicContact CG-CD1 4.15Å; P273-I277 WeakPolarHBondContact O-CG1 3.11Å; P273-I277 WeakPolarHBondContact O-CG2 3.33Å; P273-I277 PolarHBondContact O-N 3.22Å; I275-I277 PolarHBondContact O-N 3.2Å
278T89Confident89.6Confident76 Ų7659.5 Ų59.547%0.46631%0.314SS..SBendtrans-81.7-15.4-172.160.50000114E274 I275 Y276E274-T278 VanDerWaalsContact O-CG2 3.24Å; E274-T278 WeakPolarHBondContact O-CG2 3.36Å; I275-T278 PolarHBondContact O-N 3.45Å; I275-T278 PolarHBondContact O-OG1 2.9Å; Y276-T278 VanDerWaalsContact C-N 3.33Å
279H92.3Very high90.1Very high29 Ų2957.6 Ų57.613%0.13431%0.306CS..  trans-152.9159.3-172.554.4-84.8000112.1L262 C263 C266 I275L262-H279 CarbonylContact C-O 3.47Å; C263-H279 WeakPolarHBondContact CA-O 3.38Å; C263-H279 WeakPolarHBondContact CB-CD2 3.25Å; C263-H279 VanDerWaalsContact CB-NE2 3.34Å; C263-H279 WeakPolarHBondContact CB-NE2 3.32Å; C263-H279 WeakPolarHBondContact CB-O 3.29Å; C263-H279 PolarHBondContact N-O 3.06Å; C263-H279 VanDerWaalsContact SG-CD2 3.53Å; C263-H279 PolarHBondContact SG-NE2 3.37Å; C263-H279 VanDerWaalsContact SG-NE2 3.39Å; C266-H279 PolarHBondContact SG-NE2 3.28Å; I275-H279 PolarHBondContact O-CE1 2.7Å; I275-H279 PolarHBondContact O-ND1 2.98Å
280E93.3Very high90.7Very high71 Ų7155.7 Ų55.733%0.33230%0.296SS..  trans-84.5172.5165.3-65.6-160.7-124.600110.8R218 V261 R282 T289R218-E280 IonicContact NH1-OE1 2.82Å; V261-E280 VanDerWaalsContact CG1-CD 3.47Å; V261-E280 HydrophobicContact CG1-CG 3.31Å; E280-R282 WeakPolarHBondContact CB-O 3.41Å; E280-T289 PolarHBondContact O-OG1 2.83Å; E280-T289 VanDerWaalsContact O-OG1 3.09Å
281V95.1Very high91.3Very high40 Ų4054.5 Ų54.524%0.24228%0.279CS..SBendtrans-71.8-39.8170.6-175.50000110.5A264 F265 V288 T289 C290 L293A264-V281 HydrophobicContact CB-CG2 4.08Å; F265-V281 HydrophobicContact CB-CG1 4.4Å; F265-V281 HydrophobicContact CB-CG2 4.19Å; V281-V288 WeakPolarHBondContact O-CA 3.31Å; V281-T289 PolarHBondContact O-N 3.11Å; V281-T289 VanDerWaalsContact O-N 3.13Å; V281-C290 PolarHBondContact O-N 2.86Å; V281-L293 HydrophobicContact CG1-CD2 4.12Å
282R94.7Very high91.8Very high122 Ų12252.5 Ų52.546%0.4627%0.27SS..BIsolated β-bridgetrans-138.6156.9178.6-74.6172.6175.5159.31.7109.8E280 G286 R287 V288 T289E280-R282 WeakPolarHBondContact CB-O 3.41Å; R282-G286 VanDerWaalsContact CD-O 3.27Å; R282-G286 WeakPolarHBondContact CD-O 3.45Å; R282-R287 CarbonylContact C-O 3.56Å; R282-R287 WeakPolarHBondContact CA-O 3.37Å; R282-R287 WeakPolarHBondContact CB-O 3.39Å; R282-V288 HydrophobicContact CG-CG2 4.05Å; R282-T289 WeakPolarHBondContact CA-OG1 3.44Å; R282-T289 PolarHBondContact N-OG1 3.02Å
283D93.8Very high92.4Very high44 Ų4449.9 Ų49.924%0.23526%0.256CS..  trans-83.8-171.8170.264.520.2000112.7D285 G286 R287 T289D283-D285 VanDerWaalsContact C-N 3.25Å; D283-D285 PolarHBondContact O-N 2.72Å; D283-D285 WeakPolarHBondContact OD1-CA 3.46Å; D283-D285 PolarHBondContact OD1-N 2.85Å; D283-G286 PolarHBondContact O-N 3.45Å; D283-G286 PolarHBondContact OD1-N 2.74Å; D283-R287 PolarHBondContact N-O 3.1Å; D283-R287 PolarHBondContact OD1-N 3.29Å; D283-R287 IonicContact OD1-NE 3.19Å; D283-R287 IonicContact OD2-CZ 2.66Å; D283-R287 IonicContact OD2-NE 2.72Å; D283-R287 PolarHBondContact OD2-NE 3.22Å; D283-R287 IonicContact OD2-NH2 3.19Å; D283-R287 PolarHBondContact OD2-NH2 2.92Å; D283-T289 HydrophobicContact CB-CG2 3.75Å
284Q92.3Very high93Very high153 Ų15354.1 Ų54.172%0.71527%0.272SS*.THydrogen-bonded Turntrans-71.2-20179.9-56.9-168.78300113.3G286Q284-G286 VanDerWaalsContact C-N 3.32Å
285D94.2Very high93.5Very high118 Ų11854.4 Ų54.463%0.63128%0.278SS*.THydrogen-bonded Turntrans-91.50.6176.9-55.4-28.9000111.3D283 R287D283-D285 VanDerWaalsContact C-N 3.25Å; D283-D285 PolarHBondContact O-N 2.72Å; D283-D285 WeakPolarHBondContact OD1-CA 3.46Å; D283-D285 PolarHBondContact OD1-N 2.85Å; D285-R287 VanDerWaalsContact C-N 3.35Å; D285-R287 IonicContact OD2-CZ 2.72Å; D285-R287 IonicContact OD2-NH1 2.66Å; D285-R287 PolarHBondContact OD2-NH1 2.76Å; D285-R287 IonicContact OD2-NH2 2.69Å; D285-R287 PolarHBondContact OD2-NH2 3.09Å
286G93.1Very high93.8Very high40 Ų4052.8 Ų52.841%0.41227%0.27SS..SBendtrans83.60179.400000115.1R282 D283 Q284R282-G286 VanDerWaalsContact CD-O 3.27Å; R282-G286 WeakPolarHBondContact CD-O 3.45Å; D283-G286 PolarHBondContact O-N 3.45Å; D283-G286 PolarHBondContact OD1-N 2.74Å; Q284-G286 VanDerWaalsContact C-N 3.32Å
287R96.2Very high94Very high103 Ų10355.3 Ų55.339%0.38929%0.287SS..  trans-71.4141.8177.5-58.5176.1-64.9-121.5-8.7110R282 D283 D285 T289 D306R282-R287 CarbonylContact C-O 3.56Å; R282-R287 WeakPolarHBondContact CA-O 3.37Å; R282-R287 WeakPolarHBondContact CB-O 3.39Å; D283-R287 PolarHBondContact N-O 3.1Å; D283-R287 PolarHBondContact OD1-N 3.29Å; D283-R287 IonicContact OD1-NE 3.19Å; D283-R287 IonicContact OD2-CZ 2.66Å; D283-R287 IonicContact OD2-NE 2.72Å; D283-R287 PolarHBondContact OD2-NE 3.22Å; D283-R287 IonicContact OD2-NH2 3.19Å; D283-R287 PolarHBondContact OD2-NH2 2.92Å; D285-R287 VanDerWaalsContact C-N 3.35Å; D285-R287 IonicContact OD2-CZ 2.72Å; D285-R287 IonicContact OD2-NH1 2.66Å; D285-R287 PolarHBondContact OD2-NH1 2.76Å; D285-R287 IonicContact OD2-NH2 2.69Å; D285-R287 PolarHBondContact OD2-NH2 3.09Å; R287-T289 PolarHBondContact O-N 3.29Å; R287-D306 HydrophobicContact CB-CB 4.21Å; R287-D306 VanDerWaalsContact CD-OD2 3.31Å; R287-D306 WeakPolarHBondContact CD-OD2 3.49Å; R287-D306 HydrophobicContact CG-CB 4.32Å
288V97Very high94.3Very high0 Ų053.6 Ų53.60%028%0.279CS..BIsolated β-bridgetrans-69.9116.3177.7178.60000110.9V281 R282 C290 L293 R294 D306 A308V281-V288 WeakPolarHBondContact O-CA 3.31Å; R282-V288 HydrophobicContact CG-CG2 4.05Å; V288-C290 HydrophobicContact CG1-CB 4.38Å; V288-L293 HydrophobicContact CG1-CB 3.84Å; V288-L293 HydrophobicContact CG1-CD2 3.81Å; V288-L293 HydrophobicContact CG1-CG 3.84Å; V288-L293 HydrophobicContact CG2-CD2 4.34Å; V288-R294 HydrophobicContact CB-CG 4.35Å; V288-R294 HydrophobicContact CG1-CG 3.9Å; V288-R294 VanDerWaalsContact O-CD 3.29Å; V288-R294 WeakPolarHBondContact O-CD 3.46Å; V288-R294 VanDerWaalsContact O-CG 3.26Å; V288-R294 WeakPolarHBondContact O-CG 3.23Å; V288-R294 PolarHBondContact O-NH1 3.14Å; V288-D306 PolarHBondContact N-O 2.89Å; V288-A308 VanDerWaalsContact CG2-O 3.32Å; V288-A308 WeakPolarHBondContact CG2-O 3.19Å
289T96.3Very high94.5Very high52 Ų5252.6 Ų52.632%0.31927%0.274SS..  trans-94.9-22.3176.839.50000113.2E280 V281 R282 D283 R287 P291E280-T289 PolarHBondContact O-OG1 2.83Å; E280-T289 VanDerWaalsContact O-OG1 3.09Å; V281-T289 PolarHBondContact O-N 3.11Å; V281-T289 VanDerWaalsContact O-N 3.13Å; R282-T289 WeakPolarHBondContact CA-OG1 3.44Å; R282-T289 PolarHBondContact N-OG1 3.02Å; D283-T289 HydrophobicContact CB-CG2 3.75Å; R287-T289 PolarHBondContact O-N 3.29Å; T289-P291 WeakPolarHBondContact O-CD 3.22Å
290C96.4Very high94.6Very high0 Ų052 Ų520%027%0.271CS..  trans-64.6116179.9173.60000112.7C266 V281 V288 V292 L293 R294C266-C290 PolarHBondContact SG-SG 3.3Å; V281-C290 PolarHBondContact O-N 2.86Å; V288-C290 HydrophobicContact CG1-CB 4.38Å; C290-V292 VanDerWaalsContact C-N 3.32Å; C290-V292 PolarHBondContact O-N 3.02Å; C290-L293 HydrophobicContact CB-CB 4.04Å; C290-L293 PolarHBondContact O-N 3.48Å; C290-L293 VanDerWaalsContact O-N 3.07Å; C290-R294 WeakPolarHBondContact O-CG 3.36Å; C290-R294 PolarHBondContact O-N 3.35Å
291P95.4Very high94.7Very high28 Ų2850.1 Ų50.118%0.18227%0.266CS..Hα-helixtrans-63.2-35.9-175.724.5-33.4000112.9L167 T289 L293 R294 V295L167-P291 HydrophobicContact CD1-CG 4.43Å; T289-P291 WeakPolarHBondContact O-CD 3.22Å; P291-L293 VanDerWaalsContact C-N 3.28Å; P291-L293 PolarHBondContact O-N 2.96Å; P291-R294 PolarHBondContact O-N 2.93Å; P291-V295 PolarHBondContact O-N 3.04Å
292V94.1Very high94.8Very high13 Ų1354.8 Ų54.88%0.07929%0.285CS..Hα-helixtrans-64.8-32.3176.9-1720000111.7I160 F265 C290 V295I160-V292 HydrophobicContact CD1-CB 4.29Å; I160-V292 HydrophobicContact CD1-CG1 3.78Å; F265-V292 HydrophobicContact CD1-CB 4.49Å; F265-V292 HydrophobicContact CE1-CB 4.24Å; F265-V292 HydrophobicContact CE1-CG1 3.94Å; C290-V292 VanDerWaalsContact C-N 3.32Å; C290-V292 PolarHBondContact O-N 3.02Å; V292-V295 WeakPolarHBondContact O-CG2 3.42Å
293L94.6Very high94.9Very high10 Ų1050.3 Ų50.35%0.05227%0.273CS..Hα-helixtrans-85.4-36.2175.9-172.657.7000112F265 V281 V288 C290 P291 V295 L296 A308 T310F265-L293 HydrophobicContact CD1-CB 3.95Å; F265-L293 HydrophobicContact CE1-CB 3.89Å; F265-L293 HydrophobicContact CE1-CD1 4.17Å; F265-L293 HydrophobicContact CE2-CD1 4.21Å; F265-L293 HydrophobicContact CZ-CD1 3.92Å; V281-L293 HydrophobicContact CG1-CD2 4.12Å; V288-L293 HydrophobicContact CG1-CB 3.84Å; V288-L293 HydrophobicContact CG1-CD2 3.81Å; V288-L293 HydrophobicContact CG1-CG 3.84Å; V288-L293 HydrophobicContact CG2-CD2 4.34Å; C290-L293 HydrophobicContact CB-CB 4.04Å; C290-L293 PolarHBondContact O-N 3.48Å; C290-L293 VanDerWaalsContact O-N 3.07Å; P291-L293 VanDerWaalsContact C-N 3.28Å; P291-L293 PolarHBondContact O-N 2.96Å; L293-V295 PolarHBondContact O-N 3.23Å; L293-L296 HydrophobicContact CD1-CB 4.34Å; L293-L296 HydrophobicContact CD1-CD2 3.96Å; L293-L296 VanDerWaalsContact O-CB 3.31Å; L293-L296 WeakPolarHBondContact O-CB 3.3Å; L293-L296 PolarHBondContact O-N 3.33Å; L293-A308 HydrophobicContact CG-CB 4.24Å; L293-A308 WeakPolarHBondContact O-CB 3.23Å; L293-T310 HydrophobicContact CD1-CG2 4.33Å
294R96.7Very high95Very high89 Ų8951.4 Ų51.434%0.33628%0.282SS..Hα-helixtrans-57.8-30.2180-74.9179.471.675.13.4113.8V288 C290 P291 L296 T304 G305 D306V288-R294 HydrophobicContact CB-CG 4.35Å; V288-R294 HydrophobicContact CG1-CG 3.9Å; V288-R294 VanDerWaalsContact O-CD 3.29Å; V288-R294 WeakPolarHBondContact O-CD 3.46Å; V288-R294 VanDerWaalsContact O-CG 3.26Å; V288-R294 WeakPolarHBondContact O-CG 3.23Å; V288-R294 PolarHBondContact O-NH1 3.14Å; C290-R294 WeakPolarHBondContact O-CG 3.36Å; C290-R294 PolarHBondContact O-N 3.35Å; P291-R294 PolarHBondContact O-N 2.93Å; R294-L296 VanDerWaalsContact C-N 3.32Å; R294-T304 PolarHBondContact O-OG1 3.38Å; R294-G305 WeakPolarHBondContact O-CA 3.31Å; R294-G305 PolarHBondContact O-N 3.5Å; R294-D306 IonicContact CZ-OD1 2.79Å; R294-D306 IonicContact NH1-OD1 2.99Å; R294-D306 PolarHBondContact NH1-OD1 3.22Å; R294-D306 IonicContact NH2-OD1 2.74Å; R294-D306 PolarHBondContact NH2-OD1 3.02Å
295V94.5Very high95.2Very high65 Ų6545 Ų4539%0.39426%0.256SS..THydrogen-bonded Turntrans-81-9176.8-62.30000113.9I160 P166 P291 V292 L293 S297I160-V295 HydrophobicContact CD1-CG2 3.75Å; P166-V295 HydrophobicContact CG-CG1 3.44Å; P166-V295 VanDerWaalsContact CG-CG1 3.44Å; P291-V295 PolarHBondContact O-N 3.04Å; V292-V295 WeakPolarHBondContact O-CG2 3.42Å; L293-V295 PolarHBondContact O-N 3.23Å; V295-S297 PolarHBondContact O-N 3.27Å
296L92Very high95.4Very high19 Ų1942.2 Ų42.210%0.09924%0.242CC..  trans-83.1113.3179.5-175.265.5000110.9V158 L293 R294 T304 T310V158-L296 HydrophobicContact CG2-CD1 3.98Å; V158-L296 HydrophobicContact CG2-CD2 4.45Å; L293-L296 HydrophobicContact CD1-CB 4.34Å; L293-L296 HydrophobicContact CD1-CD2 3.96Å; L293-L296 VanDerWaalsContact O-CB 3.31Å; L293-L296 WeakPolarHBondContact O-CB 3.3Å; L293-L296 PolarHBondContact O-N 3.33Å; R294-L296 VanDerWaalsContact C-N 3.32Å; L296-T304 PolarHBondContact O-OG1 3.2Å; L296-T310 HydrophobicContact CD2-CG2 3.79Å
297S95.3Very high95.5Very high53 Ų5347 Ų4737%0.37125%0.253SS..  trans-80.9129161.8-176.70000109.9V295 H302 A303V295-S297 PolarHBondContact O-N 3.27Å; S297-H302 VanDerWaalsContact OG-C 3.3Å; S297-H302 WeakPolarHBondContact OG-CA 3.41Å; S297-H302 PolarHBondContact OG-O 3.35Å; S297-A303 WeakPolarHBondContact CA-O 3.4Å
298C94.7Very high95.6Very high0 Ų042.1 Ų42.10%024%0.235CC..  trans-71.3124177.2-178.40000110.5N300 C301 H302 A303 H309C298-N300 PolarHBondContact O-N 3.27Å; C298-C301 PolarHBondContact O-N 2.89Å; C298-H302 WeakPolarHBondContact O-CA 3.38Å; C298-H302 PolarHBondContact O-N 3.2Å; C298-A303 PolarHBondContact N-O 3.4Å; C298-H309 VanDerWaalsContact SG-CD2 3.51Å; C298-H309 PolarHBondContact SG-NE2 3.33Å
299P93.3Very high95.5Very high56 Ų5642.8 Ų42.836%0.36424%0.238SC..THydrogen-bonded Turntrans-67.6-11.7-17328-36.7000114.3I311P299-I311 HydrophobicContact CG-CB 4.22Å; P299-I311 HydrophobicContact CG-CD1 4.18Å; P299-I311 HydrophobicContact CG-CG1 4.48Å
300N93.8Very high95.4Very high15 Ų1540.7 Ų40.78%0.0823%0.225CC..THydrogen-bonded Turntrans-100.6-14.6-176.5-168.369.2000114.1C298 C314 Y316 P317 R318 Q319C298-N300 PolarHBondContact O-N 3.27Å; N300-C314 PolarHBondContact ND2-SG 3.3Å; N300-Y316 PolarHBondContact ND2-O 3.34Å; N300-P317 PolarHBondContact ND2-O 2.86Å; N300-R318 WeakPolarHBondContact OD1-CA 3.14Å; N300-Q319 PolarHBondContact OD1-N 3.43Å
301C96.1Very high95.2Very high32 Ų3241.8 Ų41.822%0.21623%0.231CC..THydrogen-bonded Turntrans-153.65.3-17767.40000114.4C298 A303 H309 C314 Y316C298-C301 PolarHBondContact O-N 2.89Å; C301-A303 PolarHBondContact O-N 3.3Å; C301-H309 VanDerWaalsContact SG-CE1 3.55Å; C301-H309 PolarHBondContact SG-NE2 3.32Å; C301-H309 VanDerWaalsContact SG-NE2 3.35Å; C301-C314 PolarHBondContact SG-SG 2.9Å; C301-Y316 HydrophobicContact CB-CD2 3.3Å; C301-Y316 HydrophobicContact CB-CE2 3.65Å; C301-Y316 HydrophobicContact CB-CG 4.12Å
302H95.9Very high95.1Very high139 Ų13946.5 Ų46.564%0.64425%0.245SC*.  trans59.6-3.6177.4-49.4-58.2000117.6S297 C298 T304S297-H302 VanDerWaalsContact OG-C 3.3Å; S297-H302 WeakPolarHBondContact OG-CA 3.41Å; S297-H302 PolarHBondContact OG-O 3.35Å; C298-H302 WeakPolarHBondContact O-CA 3.38Å; C298-H302 PolarHBondContact O-N 3.2Å; H302-T304 PolarHBondContact O-N 2.86Å
303A96.6Very high95Very high27 Ų2752.8 Ų52.822%0.22327%0.268CS..  trans-51.5134.5175.400000112.7S297 C298 C301S297-A303 WeakPolarHBondContact CA-O 3.4Å; C298-A303 PolarHBondContact N-O 3.4Å; C301-A303 PolarHBondContact O-N 3.3Å
304T96.5Very high95.1Very high68 Ų6853.4 Ų53.442%0.41727%0.273SS..  trans-150.1-178.7-173.1-168.30000109.8R294 L296 H302 D306 H307 A308R294-T304 PolarHBondContact O-OG1 3.38Å; L296-T304 PolarHBondContact O-OG1 3.2Å; H302-T304 PolarHBondContact O-N 2.86Å; T304-D306 PolarHBondContact O-N 3.4Å; T304-H307 PolarHBondContact O-N 3.17Å; T304-A308 PolarHBondContact O-N 3.2Å
305G97.1Very high95Very high17 Ų1754 Ų5418%0.17529%0.288CS..G310 helixtrans59.3-127.9179.200000112.6R294 H307 A308R294-G305 WeakPolarHBondContact O-CA 3.31Å; R294-G305 PolarHBondContact O-N 3.5Å; G305-H307 PolarHBondContact O-N 3.39Å; G305-H307 VanDerWaalsContact O-N 3.13Å; G305-A308 VanDerWaalsContact O-CB 3.26Å; G305-A308 WeakPolarHBondContact O-CB 3.49Å; G305-A308 PolarHBondContact O-N 3.38Å; G305-A308 VanDerWaalsContact O-N 3.09Å
306D97.5Very high95Very high60 Ų6057.6 Ų57.632%0.32130%0.296SS..G310 helixtrans-56.2-27.5179.8-68.226.9000113.5R287 V288 R294 T304R287-D306 HydrophobicContact CB-CB 4.21Å; R287-D306 VanDerWaalsContact CD-OD2 3.31Å; R287-D306 WeakPolarHBondContact CD-OD2 3.49Å; R287-D306 HydrophobicContact CG-CB 4.32Å; V288-D306 PolarHBondContact N-O 2.89Å; R294-D306 IonicContact CZ-OD1 2.79Å; R294-D306 IonicContact NH1-OD1 2.99Å; R294-D306 PolarHBondContact NH1-OD1 3.22Å; R294-D306 IonicContact NH2-OD1 2.74Å; R294-D306 PolarHBondContact NH2-OD1 3.02Å; T304-D306 PolarHBondContact O-N 3.4Å
307H96.6Very high94.8Very high142 Ų14261.5 Ų61.566%0.65732%0.322SS*.G310 helixtrans-107.610.2-177.8-55-49.8000113.4T304 G305 H309T304-H307 PolarHBondContact O-N 3.17Å; G305-H307 PolarHBondContact O-N 3.39Å; G305-H307 VanDerWaalsContact O-N 3.13Å; H307-H309 PolarHBondContact O-ND1 3.05Å
308A97.1Very high94.3Very high0 Ų066.9 Ų66.90%033%0.334CS..  trans-58.3146.2-178.100000113.1V288 L293 T304 G305V288-A308 VanDerWaalsContact CG2-O 3.32Å; V288-A308 WeakPolarHBondContact CG2-O 3.19Å; L293-A308 HydrophobicContact CG-CB 4.24Å; L293-A308 WeakPolarHBondContact O-CB 3.23Å; T304-A308 PolarHBondContact O-N 3.2Å; G305-A308 VanDerWaalsContact O-CB 3.26Å; G305-A308 WeakPolarHBondContact O-CB 3.49Å; G305-A308 PolarHBondContact O-N 3.38Å; G305-A308 VanDerWaalsContact O-N 3.09Å
309H95.4Very high93.4Very high14 Ų1474.6 Ų74.67%0.06537%0.37CS..  trans-162.4152.7176.753-90.6000110.2C298 C301 H307 C314C298-H309 VanDerWaalsContact SG-CD2 3.51Å; C298-H309 PolarHBondContact SG-NE2 3.33Å; C301-H309 VanDerWaalsContact SG-CE1 3.55Å; C301-H309 PolarHBondContact SG-NE2 3.32Å; C301-H309 VanDerWaalsContact SG-NE2 3.35Å; H307-H309 PolarHBondContact O-ND1 3.05Å; H309-C314 VanDerWaalsContact CD2-CA 3.48Å; H309-C314 WeakPolarHBondContact CD2-CA 3.42Å; H309-C314 WeakPolarHBondContact NE2-CA 3.19Å
310T93.9Very high91.8Very high7 Ų780.5 Ų80.54%0.04340%0.398CS..  trans-73.4156.4169.671.20000110.1F265 L293 L296 R312 Y313F265-T310 HydrophobicContact CE2-CG2 3.82Å; F265-T310 HydrophobicContact CZ-CG2 4.32Å; L293-T310 HydrophobicContact CD1-CG2 4.33Å; L296-T310 HydrophobicContact CD2-CG2 3.79Å; T310-R312 PolarHBondContact O-N 3.04Å; T310-Y313 PolarHBondContact O-N 3.1Å; T310-Y313 WeakPolarHBondContact OG1-CD2 3.36Å
311I93.2Very high91.7Very high24 Ų2483.8 Ų83.812%0.12341%0.414CS..G310 helixtrans-50.2-26.2177.5-172.3174.1000114.5Q156 P299 Y313 L320Q156-I311 HydrophobicContact CG-CG2 4.2Å; Q156-I311 VanDerWaalsContact OE1-N 3.15Å; P299-I311 HydrophobicContact CG-CB 4.22Å; P299-I311 HydrophobicContact CG-CD1 4.18Å; P299-I311 HydrophobicContact CG-CG1 4.48Å; I311-Y313 VanDerWaalsContact C-N 3.25Å; I311-Y313 PolarHBondContact O-N 2.6Å; I311-L320 HydrophobicContact CD1-CD1 3.65Å
312R92.6Very high91.5Very high127 Ų12786.5 Ų86.548%0.47942%0.424SS..G310 helixtrans-65.5-26.3176.6-177.2172.3177.2170.9-4.6113.2Q153 T310Q153-R312 PolarHBondContact O-NH1 3Å; T310-R312 PolarHBondContact O-N 3.04Å
313Y92.6Very high91.2Very high145 Ų14583.6 Ų83.657%0.56941%0.412SS*.G310 helixtrans-11725.7-177-54.9-75.1000112.2T310 I311T310-Y313 PolarHBondContact O-N 3.1Å; T310-Y313 WeakPolarHBondContact OG1-CD2 3.36Å; I311-Y313 VanDerWaalsContact C-N 3.25Å; I311-Y313 PolarHBondContact O-N 2.6Å
314C95.1Very high90.9Very high22 Ų2286.9 Ų86.915%0.14942%0.423CS..  trans-68129.7172.7-162.10000110.5N300 C301 H309 Y316N300-C314 PolarHBondContact ND2-SG 3.3Å; C301-C314 PolarHBondContact SG-SG 2.9Å; H309-C314 VanDerWaalsContact CD2-CA 3.48Å; H309-C314 WeakPolarHBondContact CD2-CA 3.42Å; H309-C314 WeakPolarHBondContact NE2-CA 3.19Å; C314-Y316 PolarHBondContact O-N 2.88Å
315P95.2Very high90.6Very high102 Ų10288.1 Ų88.166%0.66242%0.423SS*.SBendtrans-77.2-13.1176.731.6-34.6000112.8
316Y93.9Very high90.1Very high141 Ų14192.8 Ų92.855%0.55344%0.44SS*.SBendtrans-91.7147.6176.7-58-84.9000110.7N300 C301 C314N300-Y316 PolarHBondContact ND2-O 3.34Å; C301-Y316 HydrophobicContact CB-CD2 3.3Å; C301-Y316 HydrophobicContact CB-CE2 3.65Å; C301-Y316 HydrophobicContact CB-CG 4.12Å; C314-Y316 PolarHBondContact O-N 2.88Å
317P89.1Confident89.6Confident101 Ų10195.1 Ų95.166%0.65645%0.448SS*.PPolyproline II helixtrans-57.7148.4170.926.9-35.2000110.5N300N300-P317 PolarHBondContact ND2-O 2.86Å
318R85Confident89.1Confident166 Ų16691.5 Ų91.563%0.62643%0.432SS*.PPolyproline II helixtrans-69.9133.5179.2-66.3-174.6-174168.15.9110.7N300N300-R318 WeakPolarHBondContact OD1-CA 3.14Å
319Q74.6Confident88.4Confident162 Ų16299.2 Ų99.276%0.75747%0.468SS*.  trans-111.122.6176.3-55.5-175.31.900111.5N300N300-Q319 PolarHBondContact OD1-N 3.43Å
320L60.4Low87.8Confident179 Ų179106.9 Ų106.994%0.93751%0.505SS*.  trans-111.80175.7-62.4174.8000109.6I311I311-L320 HydrophobicContact CD1-CD1 3.65Å

Retrieved 320 of 320 residues in 211.7 ms (Link to these results)