A0A077ZN66_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZN66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M56.3Low63.2Low234 Ų234155.7 Ų155.7100%1.15385%0.851SS**  0113.30-72.4174.5177.600106.5
2N50.4Low63.4Low171 Ų171154.6 Ų154.691%0.91485%0.852SS**  trans-81.9131.5-179.3-63-30.4000108.5
3I64.5Low62.9Low155 Ų155149.5 Ų149.580%0.79584%0.842SS**  trans-127.5102.2174.6-41.4168.1000105.7V5I3-V5 HydrophobicContact CG2-CG2 4.42Å
4S53.6Low62.9Low125 Ų125145.6 Ų145.687%0.87484%0.839SS**  trans-108.3115.4164.7-102.70000106.9
5V65.7Low63.1Low121 Ų121143.5 Ų143.573%0.73383%0.832SS**  trans-157.591.1161.5-1510000101.8I3I3-V5 HydrophobicContact CG2-CG2 4.42Å
6D60.8Low62.5Low160 Ų160140.6 Ų140.686%0.85683%0.83SS**  30.6139.193.9-103.3-43.3000113.6
7E63.6Low61.8Low176 Ų176138.3 Ų138.382%0.82282%0.823SS**  trans88.271170.8-151.4170.2-173.700117.4
8I64.3Low61.3Low169 Ų169142.3 Ų142.387%0.86783%0.828SS**  trans-134118.1140-53.8-179.8000108.9
9P72.2Confident60.9Low112 Ų112140.1 Ų140.173%0.72782%0.822SS**PPolyproline II helixtrans-75.3146.7-174.731-34.2000112.1
10M69.3Low60.5Low169 Ų169140.8 Ų140.883%0.83382%0.821SS**PPolyproline II helixtrans-67.2141.5171.3-77.3-161.954.400111.8V12M10-V12 PolarHBondContact O-N 3.47Å
11P74.3Confident60.4Low121 Ų121140 Ų14079%0.78682%0.821SS**PPolyproline II helixtrans-68.6126.5171.227.4-31.6000110.9
12V65.2Low60Low142 Ų142135.5 Ų135.586%0.86181%0.806SS**PPolyproline II helixtrans-63.4147.3171171.20000110.6M10M10-V12 PolarHBondContact O-N 3.47Å
13A57.8Low59.8Low88 Ų88130 Ų13073%0.72779%0.791SS**  trans-39.6143.8-176.700000117.3
14A62.7Low59Low96 Ų96127.7 Ų127.779%0.79379%0.788SS**  trans-125.3107.6151.600000109.1A16A14-A16 PolarHBondContact O-N 2.76Å
15P65.1Low58.7Low113 Ų113128.9 Ų128.973%0.73478%0.784SS**  trans-84.692.1155.131-26.9000107.7S17P15-S17 PolarHBondContact O-N 3.5Å
16A54.7Low58Low98 Ų98127.5 Ų127.581%0.8179%0.786SS**  trans-63.8109.316800000108.3A14A14-A16 PolarHBondContact O-N 2.76Å
17S50Low57.6Low101 Ų101125.2 Ų125.271%0.70678%0.78SS**  trans-69.3126.5173.8-57.20000108.6P15P15-S17 PolarHBondContact O-N 3.5Å
18F53.6Low56.6Low210 Ų210123 Ų12392%0.92177%0.773SS**  trans-133.499.6155.8-121-88.5000108.6
19S53.6Low55.8Low101 Ų101119.6 Ų119.671%0.70676%0.764SS**  trans-65.8141.4173.9-53.70000110.5
20L52.4Low54.4Low153 Ų153121.2 Ų121.280%0.80177%0.766SS**  trans-60.8145.2177-64.8100.4000112.5
21P57.9Low53.1Low125 Ų125116.1 Ų116.181%0.81276%0.757SS**  trans-90.592.7146.931.5-23000109.1G23P21-G23 PolarHBondContact O-N 2.76Å
22T48.4Very low51.9Low139 Ų139119.9 Ų119.985%0.85376%0.761SS**  trans-66.3102.4149.55.80000106.6
23G45.3Very low51.2Low57 Ų57117.9 Ų117.959%0.58875%0.754SS**  trans170.298179.800000115.7P21P21-G23 PolarHBondContact O-N 2.76Å
24S49Very low51Low106 Ų106120.7 Ų120.774%0.74176%0.762SS**  trans74.6123.4146.7780000119.2
25N47.6Very low50.8Low149 Ų149122.6 Ų122.680%0.79775%0.754SS**  trans74.373155.1-52.1-32.7000116.6
26A49.9Very low50.5Low92 Ų92121.5 Ų121.576%0.7674%0.742SS**  trans-54.9130143.800000107.3N28A26-N28 PolarHBondContact O-N 2.85Å
27P53.6Low50.8Low112 Ų112120.1 Ų120.173%0.72772%0.724SS**  trans-59.5111.5170.824.9-30.5000106.2C29P27-C29 PolarHBondContact O-N 3.38Å
28N41.2Very low51.4Low129 Ų129118.1 Ų118.169%0.6971%0.71SS**  trans-60.491.9167.4-168.68.6000106.4A26 D30A26-N28 PolarHBondContact O-N 2.85Å; N28-D30 PolarHBondContact O-N 3.01Å; N28-D30 VanDerWaalsContact OD1-CB 3.26Å; N28-D30 WeakPolarHBondContact OD1-CB 3.43Å; N28-D30 PolarHBondContact OD1-N 3.09Å; N28-D30 PolarHBondContact OD1-OD2 3Å; N28-D30 VanDerWaalsContact OD1-OD2 3.13Å
29C47.1Very low52.2Low98 Ų98112.7 Ų112.766%0.66269%0.69SS**  trans-86.130.6172.152.50000110.8P27 G31P27-C29 PolarHBondContact O-N 3.38Å; C29-G31 PolarHBondContact O-N 3.5Å
30D43.7Very low53.3Low147 Ų147110.5 Ų110.579%0.78668%0.675SS**  trans-75.976.5159.4-72.4-30.3000108.6N28N28-D30 PolarHBondContact O-N 3.01Å; N28-D30 VanDerWaalsContact OD1-CB 3.26Å; N28-D30 WeakPolarHBondContact OD1-CB 3.43Å; N28-D30 PolarHBondContact OD1-N 3.09Å; N28-D30 PolarHBondContact OD1-OD2 3Å; N28-D30 VanDerWaalsContact OD1-OD2 3.13Å
31G43Very low54.9Low62 Ų62108.7 Ų108.764%0.63967%0.67SS**  trans-172.844.8-176.700000112.5C29 S33C29-G31 PolarHBondContact O-N 3.5Å; G31-S33 PolarHBondContact O-N 2.84Å
32F48.6Very low56Low199 Ų199105.1 Ų105.187%0.87365%0.651SS**  trans-67.880.1162.8-77.5-78.6000108.4T34F32-T34 PolarHBondContact O-N 2.83Å
33S50.2Low57.4Low100 Ų10099.4 Ų99.470%0.69961%0.614SS**  trans-55121.7160.9-156.40000106.1G31 H35G31-S33 PolarHBondContact O-N 2.84Å; S33-H35 PolarHBondContact O-N 2.98Å
34T54.3Low59.2Low147 Ų147103.3 Ų103.390%0.90261%0.611SS**  trans-68.834.2176.551.60000111.6F32F32-T34 PolarHBondContact O-N 2.83Å
35H57.2Low61.1Low136 Ų136104 Ų10463%0.6360%0.601SS**  trans-68.6137.7176.4-161.4-77.9000108.3S33 V37S33-H35 PolarHBondContact O-N 2.98Å; H35-V37 PolarHBondContact O-N 3.23Å
36D58.8Low62.7Low91 Ų9197.6 Ų97.649%0.48757%0.568SS.*  trans-46.3106.6-173.7-158.6-20.1000111.3S38 D39D36-S38 PolarHBondContact O-N 2.67Å; D36-S38 VanDerWaalsContact O-N 3.1Å; D36-S38 WeakPolarHBondContact OD1-CB 3.07Å; D36-S38 PolarHBondContact OD1-N 2.97Å; D36-S38 PolarHBondContact OD1-OG 2.93Å; D36-D39 PolarHBondContact O-N 3Å; D36-D39 VanDerWaalsContact O-N 3.12Å
37V61.5Low64.2Low69 Ų6996.6 Ų96.642%0.41855%0.548SS..G310 helixtrans-60.4-22.4-178.5179.60000110.5H35 D39 S40 I129H35-V37 PolarHBondContact O-N 3.23Å; V37-D39 PolarHBondContact O-N 3.21Å; V37-S40 PolarHBondContact O-N 2.85Å; V37-I129 HydrophobicContact CG1-CD1 3.28Å
38S63.4Low65.6Low59 Ų5997.4 Ų97.441%0.41354%0.542SS..G310 helixtrans-64.3-22.7178.5-41.50000113.5D36D36-S38 PolarHBondContact O-N 2.67Å; D36-S38 VanDerWaalsContact O-N 3.1Å; D36-S38 WeakPolarHBondContact OD1-CB 3.07Å; D36-S38 PolarHBondContact OD1-N 2.97Å; D36-S38 PolarHBondContact OD1-OG 2.93Å
39D70Confident67.3Low95 Ų9592.2 Ų92.251%0.50852%0.517SS..G310 helixtrans-102.2-5.8-176.3-81.3-11.8000114.6D36 V37 V41 R44D36-D39 PolarHBondContact O-N 3Å; D36-D39 VanDerWaalsContact O-N 3.12Å; V37-D39 PolarHBondContact O-N 3.21Å; D39-V41 PolarHBondContact O-N 3.14Å; D39-R44 PolarHBondContact O-NH2 3.47Å; D39-R44 VanDerWaalsContact O-NH2 3.13Å
40S77.3Confident68.6Low55 Ų5589.5 Ų89.539%0.38550%0.495SS..  trans-59.7137.3-178.6178.30000111.9V37 A42 W43 R44V37-S40 PolarHBondContact O-N 2.85Å; S40-A42 PolarHBondContact O-N 2.91Å; S40-A42 PolarHBondContact OG-N 3.12Å; S40-W43 WeakPolarHBondContact O-CB 3.46Å; S40-W43 PolarHBondContact O-N 2.78Å; S40-R44 PolarHBondContact O-N 2.84Å; S40-R44 VanDerWaalsContact O-N 3.09Å
41V85Confident70.2Confident115 Ų11586.4 Ų86.470%0.69748%0.478SS*.Hα-helixtrans-57.3-35.7174177.10000110.9D39 W43 R44 K45D39-V41 PolarHBondContact O-N 3.14Å; V41-W43 VanDerWaalsContact C-N 3.34Å; V41-W43 PolarHBondContact O-N 2.87Å; V41-R44 PolarHBondContact O-N 3.04Å; V41-K45 WeakPolarHBondContact O-CB 3.28Å; V41-K45 PolarHBondContact O-N 3.2Å
42A80.4Confident71.7Confident51 Ų5189.4 Ų89.442%0.42148%0.476SS..Hα-helixtrans-64.1-38.6175.900000112.1S40 K45 A46S40-A42 PolarHBondContact O-N 2.91Å; S40-A42 PolarHBondContact OG-N 3.12Å; A42-K45 PolarHBondContact O-N 3.25Å; A42-A46 WeakPolarHBondContact O-CB 3.21Å; A42-A46 PolarHBondContact O-N 3.45Å
43W77.5Confident72.4Confident19 Ų1981.9 Ų81.97%0.07245%0.446CS..Hα-helixtrans-67.9-43.4177.6-179.6-110.8000111.7S40 V41 K45 A46 Q47 N117 I129S40-W43 WeakPolarHBondContact O-CB 3.46Å; S40-W43 PolarHBondContact O-N 2.78Å; V41-W43 VanDerWaalsContact C-N 3.34Å; V41-W43 PolarHBondContact O-N 2.87Å; W43-K45 PolarHBondContact O-N 2.91Å; W43-A46 PolarHBondContact O-N 2.83Å; W43-Q47 HydrophobicContact CD2-CG 4.5Å; W43-Q47 HydrophobicContact CZ2-CG 4.25Å; W43-Q47 WeakPolarHBondContact O-CG 3.36Å; W43-Q47 PolarHBondContact O-N 3.27Å; W43-N117 WeakPolarHBondContact CZ2-OD1 3.49Å; W43-I129 HydrophobicContact CE3-CG1 4.46Å
44R84.9Confident73Confident139 Ų13979.2 Ų79.253%0.52543%0.43SS..Hα-helixtrans-60.3-45.5174.2-83-173.2-93.6-170-10.2112.2D39 S40 V41 A46 Q47 E48D39-R44 PolarHBondContact O-NH2 3.47Å; D39-R44 VanDerWaalsContact O-NH2 3.13Å; S40-R44 PolarHBondContact O-N 2.84Å; S40-R44 VanDerWaalsContact O-N 3.09Å; V41-R44 PolarHBondContact O-N 3.04Å; R44-A46 VanDerWaalsContact C-N 3.34Å; R44-A46 PolarHBondContact O-N 3.23Å; R44-Q47 PolarHBondContact O-N 3.28Å; R44-E48 PolarHBondContact O-N 3.41Å
45K87.8Confident73.5Confident121 Ų12177.6 Ų77.653%0.52641%0.41SS..Hα-helixtrans-61.5-42.3177-165.1-172.3-179.7-145.40111.9V41 A42 W43 Q47 E48 A49 E141V41-K45 WeakPolarHBondContact O-CB 3.28Å; V41-K45 PolarHBondContact O-N 3.2Å; A42-K45 PolarHBondContact O-N 3.25Å; W43-K45 PolarHBondContact O-N 2.91Å; K45-Q47 VanDerWaalsContact C-N 3.35Å; K45-Q47 PolarHBondContact O-N 3.35Å; K45-E48 PolarHBondContact O-N 3.22Å; K45-A49 PolarHBondContact O-N 2.68Å; K45-E141 IonicContact NZ-OE2 3.95Å
46A80.6Confident73.6Confident14 Ų1477.4 Ų77.412%0.11641%0.41CS..Hα-helixtrans-63.8-38.6176.100000112.4A42 W43 R44 L50A42-A46 WeakPolarHBondContact O-CB 3.21Å; A42-A46 PolarHBondContact O-N 3.45Å; W43-A46 PolarHBondContact O-N 2.83Å; R44-A46 VanDerWaalsContact C-N 3.34Å; R44-A46 PolarHBondContact O-N 3.23Å; A46-L50 VanDerWaalsContact O-CG 3.32Å; A46-L50 WeakPolarHBondContact O-CG 3.42Å; A46-L50 PolarHBondContact O-N 3.07Å; A46-L50 VanDerWaalsContact O-N 3.16Å
47Q83.1Confident73.5Confident71 Ų7176.9 Ų76.933%0.33241%0.413SS..Hα-helixtrans-64.1-42.1174.1-73.9-172.6-5300112W43 R44 K45 L50 I51W43-Q47 HydrophobicContact CD2-CG 4.5Å; W43-Q47 HydrophobicContact CZ2-CG 4.25Å; W43-Q47 WeakPolarHBondContact O-CG 3.36Å; W43-Q47 PolarHBondContact O-N 3.27Å; R44-Q47 PolarHBondContact O-N 3.28Å; K45-Q47 VanDerWaalsContact C-N 3.35Å; K45-Q47 PolarHBondContact O-N 3.35Å; Q47-L50 PolarHBondContact O-N 3.36Å; Q47-I51 WeakPolarHBondContact O-CD1 3.25Å; Q47-I51 VanDerWaalsContact O-CG1 3.29Å; Q47-I51 WeakPolarHBondContact O-CG1 3.38Å; Q47-I51 PolarHBondContact O-N 2.96Å
48E82Confident73.2Confident128 Ų12877.3 Ų77.360%0.59842%0.419SS*.Hα-helixtrans-64.1-41.7177.6-73.6-179.3172.300112.8R44 K45 I51 Q52R44-E48 PolarHBondContact O-N 3.41Å; K45-E48 PolarHBondContact O-N 3.22Å; E48-I51 PolarHBondContact O-N 3.24Å; E48-Q52 PolarHBondContact O-N 3.4Å; E48-Q52 VanDerWaalsContact O-N 3.12Å
49A77.9Confident72.6Confident20 Ų2079.4 Ų79.417%0.16543%0.434CS..Hα-helixtrans-61-45176.300000111.7K45 I51 Q52 V53K45-A49 PolarHBondContact O-N 2.68Å; A49-I51 VanDerWaalsContact C-N 3.29Å; A49-I51 PolarHBondContact O-N 3.1Å; A49-Q52 PolarHBondContact O-N 3.24Å; A49-Q52 VanDerWaalsContact O-N 3.14Å; A49-V53 PolarHBondContact O-N 2.87Å
50L74.5Confident71.7Confident41 Ų4181.1 Ų81.122%0.21545%0.448CS..Hα-helixtrans-60.1-38.2177.6-75166.6000112.5A46 Q47 A54 E145A46-L50 VanDerWaalsContact O-CG 3.32Å; A46-L50 WeakPolarHBondContact O-CG 3.42Å; A46-L50 PolarHBondContact O-N 3.07Å; A46-L50 VanDerWaalsContact O-N 3.16Å; Q47-L50 PolarHBondContact O-N 3.36Å; L50-A54 PolarHBondContact O-N 2.75Å; L50-E145 HydrophobicContact CD2-CG 3.94Å
51I77.2Confident70Confident83 Ų8383.9 Ų83.943%0.42647%0.466SS..Hα-helixtrans-68.3-37.2177.6-67.5164.5000111.4Q47 E48 A49 A54 K55Q47-I51 WeakPolarHBondContact O-CD1 3.25Å; Q47-I51 VanDerWaalsContact O-CG1 3.29Å; Q47-I51 WeakPolarHBondContact O-CG1 3.38Å; Q47-I51 PolarHBondContact O-N 2.96Å; E48-I51 PolarHBondContact O-N 3.24Å; A49-I51 VanDerWaalsContact C-N 3.29Å; A49-I51 PolarHBondContact O-N 3.1Å; I51-A54 PolarHBondContact O-N 3.38Å; I51-K55 PolarHBondContact O-N 3.44Å
52Q74Confident67.8Low125 Ų12584.4 Ų84.458%0.58448%0.476SS*.Hα-helixtrans-63.8-43.2177.7-75.7-177.8-1.100111.6E48 A49 A54 K55 E56E48-Q52 PolarHBondContact O-N 3.4Å; E48-Q52 VanDerWaalsContact O-N 3.12Å; A49-Q52 PolarHBondContact O-N 3.24Å; A49-Q52 VanDerWaalsContact O-N 3.14Å; Q52-A54 VanDerWaalsContact C-N 3.34Å; Q52-A54 PolarHBondContact O-N 2.97Å; Q52-K55 WeakPolarHBondContact O-CB 3.15Å; Q52-K55 PolarHBondContact O-N 3.2Å; Q52-K55 VanDerWaalsContact O-N 3.09Å; Q52-E56 PolarHBondContact O-N 3.44Å
53V62Low66Low40 Ų4087 Ų8724%0.24250%0.497CS..Hα-helixtrans-69.9-32.3-179.6-179.20000112.3A49 K55 E56 S57 E145 R149A49-V53 PolarHBondContact O-N 2.87Å; V53-K55 VanDerWaalsContact C-N 3.26Å; V53-K55 PolarHBondContact O-N 3.02Å; V53-E56 PolarHBondContact O-N 2.66Å; V53-S57 PolarHBondContact O-N 3.1Å; V53-S57 PolarHBondContact O-OG 3.35Å; V53-E145 WeakPolarHBondContact CG2-OE1 3.38Å; V53-R149 VanDerWaalsContact CG1-NH1 3.34Å
54A64.5Low64.2Low44 Ų4497.3 Ų97.336%0.36454%0.536SS..Hα-helixtrans-63.4-32.717200000112.2L50 I51 Q52L50-A54 PolarHBondContact O-N 2.75Å; I51-A54 PolarHBondContact O-N 3.38Å; Q52-A54 VanDerWaalsContact C-N 3.34Å; Q52-A54 PolarHBondContact O-N 2.97Å
55K64.7Low62.2Low114 Ų11497.5 Ų97.550%0.49655%0.546SS..Hα-helixtrans-69.3-39.1173.6-77.8176.3170.3174.70112.1I51 Q52 V53 S58I51-K55 PolarHBondContact O-N 3.44Å; Q52-K55 WeakPolarHBondContact O-CB 3.15Å; Q52-K55 PolarHBondContact O-N 3.2Å; Q52-K55 VanDerWaalsContact O-N 3.09Å; V53-K55 VanDerWaalsContact C-N 3.26Å; V53-K55 PolarHBondContact O-N 3.02Å; K55-S58 PolarHBondContact O-OG 3.14Å
56E58.4Low60.1Low132 Ų13297.4 Ų97.462%0.61756%0.558SS**Hα-helixtrans-77.4-34.1-175.8-68.3177.2179.200113.4Q52 V53 S58 S59Q52-E56 PolarHBondContact O-N 3.44Å; V53-E56 PolarHBondContact O-N 2.66Å; E56-S58 VanDerWaalsContact C-N 3.28Å; E56-S58 PolarHBondContact O-N 3.28Å; E56-S59 PolarHBondContact O-N 3.05Å
57S56.9Low58.1Low80 Ų80105 Ų10556%0.55959%0.591SS**Hα-helixtrans-72.3-16.8179.541.30000114.2V53 S59V53-S57 PolarHBondContact O-N 3.1Å; V53-S57 PolarHBondContact O-OG 3.35Å; S57-S59 VanDerWaalsContact C-N 3.32Å
58S54.5Low56.4Low78 Ų78108.5 Ų108.555%0.54562%0.617SS.*THydrogen-bonded Turntrans-76-13.9172.469.70000114.6K55 E56K55-S58 PolarHBondContact O-OG 3.14Å; E56-S58 VanDerWaalsContact C-N 3.28Å; E56-S58 PolarHBondContact O-N 3.28Å
59S52.1Low54.7Low102 Ų102106.7 Ų106.771%0.71362%0.624SS**THydrogen-bonded Turntrans-99.61.9-177-67.80000114.7E56 S57E56-S59 PolarHBondContact O-N 3.05Å; S57-S59 VanDerWaalsContact C-N 3.32Å
60V50.9Low53.4Low132 Ų132112 Ų11280%0.866%0.655SS**  trans-127.566179.8-164.40000110.5
61S40.1Very low52.1Low112 Ų112115.8 Ų115.878%0.78368%0.681SS**  trans-13288.4172.8-167.70000109.8
62S39.9Very low50.5Low127 Ų127117.6 Ų117.689%0.88869%0.692SS**  trans-168.376.5164.7-160.20000111.6
63A41.7Very low49.3Very low105 Ų105121.5 Ų121.587%0.86871%0.707SS**  trans-155.3110.9156.400000109.7
64R40Very low48.7Very low235 Ų235126.8 Ų126.889%0.88773%0.729SS**  trans-79.2138-174.8-78.7175.6165.7175.2-4.6113.3
65L42.5Very low47.7Very low143 Ų143132.6 Ų132.675%0.74975%0.749SS**  53.7159.8129.5-67.9177.8000120.4
66P44.2Very low46.8Very low119 Ų119133.4 Ų133.477%0.77376%0.763SS**  cis-141165.728.237.8-15.1000119.9
67E38.1Very low46Very low174 Ų174136.2 Ų136.281%0.81377%0.774SS**  trans-58.3136.4172.4-174.8177.7152.800114.3
68V47.4Very low45.5Very low144 Ų144136.9 Ų136.987%0.87378%0.784SS**  trans-131135.7164.2177.40000110.4
69A46.9Very low45.4Very low91 Ų91138.6 Ų138.675%0.75279%0.794SS**  trans-57.8154-168.200000118.4
70V50Low45.2Very low132 Ų132140.4 Ų140.480%0.880%0.8SS**  trans-82.1164.8174.7-148.70000111.8
71P47.4Very low45.5Very low119 Ų119140.3 Ų140.377%0.77380%0.8SS**  -141.3127.111232.7-16.4000113
72N44.5Very low46Very low121 Ų121145 Ų14565%0.64780%0.8SS**  60.696.395.7-165.24.2000114.4
73F49Very low47.1Very low208 Ų208144.7 Ų144.791%0.91280%0.795SS**  trans-143.4121.6147.4-98.7-79.5000111.4
74Q48.6Very low47.5Very low151 Ų151149.8 Ų149.871%0.70679%0.794SS**  trans-38126.1172.2-68.2166.221.200113.7
75Q43Very low47.9Very low165 Ų165148.8 Ų148.877%0.77179%0.792SS**  72.786.688.2-159.6-179.74.400113.4
76V46.1Very low48.4Very low132 Ų132151.5 Ų151.580%0.879%0.793SS**  trans-140.1102.6158.2-174.30000110.3
77F42.1Very low48.8Very low190 Ų190150.1 Ų150.183%0.83378%0.784SS**  trans25.3107.8147.1-61.4-86.4000119.1
78A45.7Very low49Very low95 Ų95146.8 Ų146.879%0.78578%0.779SS**  trans-106.8141.8157.600000110.4
79P52.3Low48.9Very low114 Ų114150.5 Ų150.574%0.7478%0.779SS**  trans-74.6150.1-16630.5-35.3000113.3V81P79-V81 PolarHBondContact O-N 3.19Å
80T48.9Very low49.5Very low139 Ų139156 Ų15685%0.85378%0.781SS**  trans-52.3102.9173.8-53.30000111.7R82T80-R82 PolarHBondContact O-N 3.35Å
81V57.6Low49.7Very low131 Ų131155.3 Ų155.379%0.79478%0.78SS**  trans-82.9111.8166.6-171.40000107.2P79P79-V81 PolarHBondContact O-N 3.19Å
82R49.9Very low49.4Very low209 Ų209154.7 Ų154.779%0.78979%0.785SS**  trans-67.5128.3170.8-76-174.3165.6-159.1-4.1109T80 Y84T80-R82 PolarHBondContact O-N 3.35Å; R82-Y84 PolarHBondContact O-N 2.79Å
83P63.9Low49.7Very low121 Ų121154.2 Ų154.279%0.78679%0.791SS**  trans-71.9114.1174.128.6-30.8000108.9Y85P83-Y85 PolarHBondContact O-N 2.92Å
84Y48.4Very low49.7Very low212 Ų212153.4 Ų153.483%0.83179%0.79SS**  trans-76.299.6162.1-88.3-90.9000107.6R82 Y86R82-Y84 PolarHBondContact O-N 2.79Å; Y84-Y86 PolarHBondContact O-N 2.71Å; Y84-Y86 VanDerWaalsContact O-N 3.14Å
85Y48.5Very low49.4Very low215 Ų215151.9 Ų151.984%0.84379%0.793SS**  trans-71.697.7174.4-155.4-93.9000108.4P83P83-Y85 PolarHBondContact O-N 2.92Å
86Y53.1Low50Low200 Ų200148.9 Ų148.978%0.78480%0.796SS**  trans-84.2121167.6-99.7-87000108.8Y84 C88Y84-Y86 PolarHBondContact O-N 2.71Å; Y84-Y86 VanDerWaalsContact O-N 3.14Å; Y86-C88 PolarHBondContact O-N 3.42Å
87P53.4Low50.1Low89 Ų89148 Ų14858%0.57879%0.794SS**  trans-77.1106175.329-28.8000109.6Y89P87-Y89 PolarHBondContact O-N 3.41Å
88C43Very low50.3Low105 Ų105143.7 Ų143.771%0.70979%0.787SS**  trans-78.4108.5164.7-96.10000109Y86 Y90Y86-C88 PolarHBondContact O-N 3.42Å; C88-Y90 HydrophobicContact CB-CD2 4.37Å; C88-Y90 HydrophobicContact CB-CE2 4.16Å; C88-Y90 PolarHBondContact O-N 3.07Å
89Y44.7Very low50.3Low221 Ų221144 Ų14487%0.86778%0.783SS**  trans-66.2108.8165.7-77.7-95.5000109.2P87P87-Y89 PolarHBondContact O-N 3.41Å
90Y58.5Low50.2Low206 Ų206146.7 Ų146.781%0.80879%0.791SS**PPolyproline II helixtrans-97.4123.8161-81.2-87.5000108.3C88C88-Y90 HydrophobicContact CB-CD2 4.37Å; C88-Y90 HydrophobicContact CB-CE2 4.16Å; C88-Y90 PolarHBondContact O-N 3.07Å
91P55.1Low49.9Very low119 Ų119147.1 Ų147.177%0.77379%0.788SS**PPolyproline II helixtrans-69.5131.9168.727.9-30.5000109.6
92A40Very low49.7Very low106 Ų106147.7 Ų147.788%0.87679%0.791SS**PPolyproline II helixtrans-68.4124.8173.900000110.5
93S52.1Low49.4Very low110 Ų110144.1 Ų144.177%0.76979%0.788SS**  trans-139.796.9165.856.90000109.9
94E48.4Very low49Very low191 Ų191144.7 Ų144.789%0.89379%0.789SS**  trans49.7145146.4-87-176.612900124.6
95P43Very low48.5Very low120 Ų120144.1 Ų144.178%0.77979%0.791SS**PPolyproline II helixtrans-90.1132.7-177.336.4-29.7000112.1
96A55.7Low47.9Very low101 Ų101137.3 Ų137.384%0.83579%0.786SS**PPolyproline II helixtrans-98.1132.5167.400000110.5
97P46.8Very low47.4Very low115 Ų115136.1 Ų136.175%0.74778%0.78SS**PPolyproline II helixtrans-92.1142.5-172.736.1-34000113.8
98S48.2Very low46.7Very low98 Ų98139.7 Ų139.769%0.68579%0.794SS**  trans51.2106.3141.856.50000120.6
99S45.2Very low46.8Very low101 Ų101138.9 Ų138.971%0.70679%0.79SS**  38.5117.212362.70000118.8
100N50.1Low46.9Very low171 Ų171134.8 Ų134.891%0.91479%0.788SS**  trans-140.8128.5133.1-82.5-45.7000110.8
101L43.1Very low46.3Very low149 Ų149131.2 Ų131.278%0.7878%0.782SS**  trans-69.1125.6-178.7-167.783.9000110.4
102V52.9Low46.1Very low142 Ų142130.2 Ų130.286%0.86177%0.77SS**  trans-136.8106.3148.4-79.40000108.8V104V102-V104 PolarHBondContact O-N 3.24Å
103D42.7Very low46.8Very low135 Ų135131 Ų13172%0.72276%0.756SS**  trans-56.3115.9168.2-92-76.3000111.6
104V55Low46.7Very low133 Ų133127.7 Ų127.781%0.80673%0.732SS**  trans-142.691.8148-173.20000109.2V102 G106V102-V104 PolarHBondContact O-N 3.24Å; V104-G106 PolarHBondContact O-N 3.33Å
105K38.5Very low47.1Very low199 Ų199120.5 Ų120.587%0.86570%0.697SS**  trans3787.5130.5-158.382.6173.5-175.60116.7
106G35.5Very low47.7Very low72 Ų72116.8 Ų116.874%0.74267%0.674SS**  trans74.5112.4140.200000118.7V104V104-G106 PolarHBondContact O-N 3.33Å
107R43.4Very low47.7Very low176 Ų176115.1 Ų115.166%0.66465%0.651SS**  trans-174.7130.8140.8-118.2172.4165.3142.3-1.3111S109R107-S109 PolarHBondContact O-N 3.47Å
108D39.1Very low48.5Very low164 Ų164119 Ų11988%0.87766%0.656SS**  trans-54.8105.9169.4-66-51.8000110.6
109S44.8Very low49.7Very low88 Ų88120.3 Ų120.362%0.61565%0.65SS**  trans-118.329-176.454.80000113R107 L111R107-S109 PolarHBondContact O-N 3.47Å; S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.06Å
110T47.7Very low51.3Low134 Ų134115.9 Ų115.982%0.82262%0.618SS**SBendtrans-79.1-9176.690000113.7
111L45Very low52.9Low132 Ų132108.2 Ų108.269%0.69158%0.577SS**SBendtrans-102.7-17.2-172.4-130.2151.2000114S109 E113S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.06Å; L111-E113 VanDerWaalsContact C-N 3.31Å; L111-E113 PolarHBondContact O-N 3.46Å
112D51.8Low54.9Low97 Ų97106.2 Ų106.252%0.51957%0.567SS.*G310 helixtrans-73-21180-82.7-41.5000113.4S114D112-S114 VanDerWaalsContact C-N 3.32Å; D112-S114 PolarHBondContact O-N 3.35Å
113E53.3Low56.6Low124 Ų124100.5 Ų100.558%0.57954%0.537SS*.G310 helixtrans-82.2-5.9-177.1-158.3111.7162.800114L111 S116L111-E113 VanDerWaalsContact C-N 3.31Å; L111-E113 PolarHBondContact O-N 3.46Å; E113-S116 VanDerWaalsContact C-OG 3.27Å; E113-S116 VanDerWaalsContact CA-OG 3.25Å; E113-S116 WeakPolarHBondContact CA-OG 3.46Å; E113-S116 PolarHBondContact O-OG 3.01Å; E113-S116 VanDerWaalsContact O-OG 3.07Å
114S51.5Low58.6Low39 Ų3994.1 Ų94.127%0.27350%0.503SS..G310 helixtrans-77.2-31.2-173.7-178.80000112.8D112D112-S114 VanDerWaalsContact C-N 3.32Å; D112-S114 PolarHBondContact O-N 3.35Å
115W55.9Low60.2Low40 Ų4089.7 Ų89.715%0.15247%0.473CS..THydrogen-bonded Turntrans-105.6-14.7-176.6-63.190.7000112.9N117 M120 R149 L152 L153W115-N117 PolarHBondContact O-N 3.05Å; W115-M120 HydrophobicContact CE3-SD 4.34Å; W115-M120 HydrophobicContact CZ3-SD 4.4Å; W115-R149 HydrophobicContact CZ2-CG 4Å; W115-L152 HydrophobicContact CH2-CB 3.61Å; W115-L152 HydrophobicContact CH2-CD1 3.85Å; W115-L152 HydrophobicContact CH2-CG 4.35Å; W115-L152 HydrophobicContact CZ3-CB 3.95Å; W115-L152 HydrophobicContact CZ3-CD1 3.61Å; W115-L152 HydrophobicContact CZ3-CG 4.4Å; W115-L153 HydrophobicContact CZ2-CD1 4.45Å; W115-L153 HydrophobicContact CZ2-CD2 3.62Å; W115-L153 HydrophobicContact CZ2-CG 3.78Å
116S56Low62.5Low42 Ų4286.8 Ų86.829%0.29446%0.46SS..SBendtrans-6896.2-17854.60000111E113 K118E113-S116 VanDerWaalsContact C-OG 3.27Å; E113-S116 VanDerWaalsContact CA-OG 3.25Å; E113-S116 WeakPolarHBondContact CA-OG 3.46Å; E113-S116 PolarHBondContact O-OG 3.01Å; E113-S116 VanDerWaalsContact O-OG 3.07Å; S116-K118 PolarHBondContact O-N 2.92Å
117N56Low65Low67 Ų6783.4 Ų83.436%0.35843%0.425SS..SBendtrans42.2-27.7155.5-67.5-20.8000121.8W43 W115 K125W43-N117 WeakPolarHBondContact CZ2-OD1 3.49Å; W115-N117 PolarHBondContact O-N 3.05Å; N117-K125 PolarHBondContact O-NZ 2.64Å
118K61.8Low67.1Low195 Ų19575.7 Ų75.785%0.84840%0.398SS*.SBendtrans-92.2-18.7-175.3-63.4179.2-178.9176.70113.9S116S116-K118 PolarHBondContact O-N 2.92Å
119K73.6Confident69.4Low127 Ų12769.6 Ų69.655%0.55237%0.365SS*.SBendtrans-110-11.5-172.8-66.4-176.5179.5173.70115.8
120M78.9Confident71.4Confident7 Ų769.1 Ų69.13%0.03435%0.349CS..SBendtrans-105.8130.6-172.3-174.8156.568.400111.9W115 A124 K125 L156W115-M120 HydrophobicContact CE3-SD 4.34Å; W115-M120 HydrophobicContact CZ3-SD 4.4Å; M120-A124 HydrophobicContact CG-CB 3.53Å; M120-A124 HydrophobicContact SD-CB 3.82Å; M120-K125 HydrophobicContact CB-CG 4.49Å; M120-K125 HydrophobicContact CE-CB 4.22Å; M120-K125 HydrophobicContact CE-CG 3.5Å; M120-K125 HydrophobicContact CG-CG 4.17Å; M120-K125 WeakPolarHBondContact O-CE 3.42Å; M120-L156 HydrophobicContact CB-CD2 4.31Å; M120-L156 HydrophobicContact CG-CD2 4.21Å; M120-L156 HydrophobicContact SD-CD1 4.47Å
121P85.4Confident73.3Confident10 Ų1062.7 Ų62.77%0.06531%0.31CS..  trans-61.6145.7174.722.5-31.4000111.3G123 A124 K125 A161 W162P121-G123 PolarHBondContact O-N 3.41Å; P121-G123 VanDerWaalsContact O-N 3.15Å; P121-A124 HydrophobicContact CG-CB 3.87Å; P121-A124 WeakPolarHBondContact O-CB 3.17Å; P121-A124 PolarHBondContact O-N 3.1Å; P121-K125 PolarHBondContact O-N 3.48Å; P121-A161 HydrophobicContact CG-CB 4.08Å; P121-W162 HydrophobicContact CB-CD2 4.03Å; P121-W162 HydrophobicContact CB-CE3 3.72Å; P121-W162 HydrophobicContact CB-CH2 4.33Å; P121-W162 HydrophobicContact CB-CZ3 3.88Å; P121-W162 HydrophobicContact CG-CD2 4.27Å; P121-W162 HydrophobicContact CG-CE3 4.45Å
122D84.8Confident75.1Confident108 Ų10858 Ų5858%0.57829%0.285SS*.Hα-helixtrans-60.4-30.5-176.3-63.5-32.7000113.1A124 K125 K126D122-A124 VanDerWaalsContact C-N 3.35Å; D122-A124 PolarHBondContact O-N 3.31Å; D122-K125 PolarHBondContact O-N 2.91Å; D122-K125 IonicContact OD1-NZ 3.11Å; D122-K125 PolarHBondContact OD1-NZ 2.7Å; D122-K125 VanDerWaalsContact OD1-NZ 3.11Å; D122-K126 WeakPolarHBondContact O-CG 3.44Å; D122-K126 PolarHBondContact O-N 2.97Å; D122-K126 VanDerWaalsContact O-N 3.08Å
123G87Confident76.7Confident22 Ų2259.8 Ų59.823%0.22729%0.29CS..Hα-helixtrans-59.6-42.9171.600000112.8P121 K126 Y127 W166P121-G123 PolarHBondContact O-N 3.41Å; P121-G123 VanDerWaalsContact O-N 3.15Å; G123-K126 PolarHBondContact O-N 3.46Å; G123-Y127 PolarHBondContact O-N 3.07Å; G123-W166 VanDerWaalsContact C-CD1 3.48Å; G123-W166 WeakPolarHBondContact O-CB 3.31Å
124A86.2Confident78Confident0 Ų056.1 Ų56.10%028%0.278CS..Hα-helixtrans-68.6-37178.700000111.6M120 P121 D122 K126 Y127 V128 L152 W166M120-A124 HydrophobicContact CG-CB 3.53Å; M120-A124 HydrophobicContact SD-CB 3.82Å; P121-A124 HydrophobicContact CG-CB 3.87Å; P121-A124 WeakPolarHBondContact O-CB 3.17Å; P121-A124 PolarHBondContact O-N 3.1Å; D122-A124 VanDerWaalsContact C-N 3.35Å; D122-A124 PolarHBondContact O-N 3.31Å; A124-K126 PolarHBondContact O-N 3.14Å; A124-Y127 WeakPolarHBondContact O-CB 3.35Å; A124-Y127 PolarHBondContact O-N 3.15Å; A124-V128 WeakPolarHBondContact O-CG2 3.35Å; A124-V128 PolarHBondContact O-N 2.92Å; A124-L152 HydrophobicContact CB-CD2 4.14Å; A124-W166 HydrophobicContact CB-CD2 3.9Å; A124-W166 HydrophobicContact CB-CE3 4.45Å; A124-W166 HydrophobicContact CB-CG 4.29Å; A124-W166 HydrophobicContact CB-CH2 4.45Å; A124-W166 HydrophobicContact CB-CZ2 3.87Å; A124-W166 VanDerWaalsContact N-CD1 3.33Å
125K87Confident79.4Confident41 Ų4155.3 Ų55.318%0.17827%0.274CS..Hα-helixtrans-57.3-49172-65.4174.4-173.2163.10111.3N117 M120 P121 D122 Y127 V128 I129N117-K125 PolarHBondContact O-NZ 2.64Å; M120-K125 HydrophobicContact CB-CG 4.49Å; M120-K125 HydrophobicContact CE-CB 4.22Å; M120-K125 HydrophobicContact CE-CG 3.5Å; M120-K125 HydrophobicContact CG-CG 4.17Å; M120-K125 WeakPolarHBondContact O-CE 3.42Å; P121-K125 PolarHBondContact O-N 3.48Å; D122-K125 PolarHBondContact O-N 2.91Å; D122-K125 IonicContact OD1-NZ 3.11Å; D122-K125 PolarHBondContact OD1-NZ 2.7Å; D122-K125 VanDerWaalsContact OD1-NZ 3.11Å; K125-Y127 VanDerWaalsContact C-N 3.29Å; K125-Y127 PolarHBondContact O-N 3.43Å; K125-V128 PolarHBondContact O-N 3.42Å; K125-I129 WeakPolarHBondContact O-CG1 3.32Å; K125-I129 PolarHBondContact O-N 3.42Å; K125-I129 VanDerWaalsContact O-N 3.1Å
126K87Confident80.5Confident137 Ų13764.9 Ų64.960%0.59631%0.309SS*.Hα-helixtrans-61.3-37.6176.3-68.4-179.7-179-172.90112.2D122 G123 A124 I129 R130D122-K126 WeakPolarHBondContact O-CG 3.44Å; D122-K126 PolarHBondContact O-N 2.97Å; D122-K126 VanDerWaalsContact O-N 3.08Å; G123-K126 PolarHBondContact O-N 3.46Å; A124-K126 PolarHBondContact O-N 3.14Å; K126-I129 PolarHBondContact O-N 3.34Å; K126-R130 VanDerWaalsContact O-CB 3.32Å; K126-R130 WeakPolarHBondContact O-CB 3.48Å; K126-R130 PolarHBondContact O-N 2.87Å
127Y88.5Confident81.6Confident1 Ų166 Ų660%0.00432%0.315CS..Hα-helixtrans-62.5-44.6176.1-177.8-96.4000112.5G123 A124 K125 R130 A131 L148 K151 W166 E169 P170 L171G123-Y127 PolarHBondContact O-N 3.07Å; A124-Y127 WeakPolarHBondContact O-CB 3.35Å; A124-Y127 PolarHBondContact O-N 3.15Å; K125-Y127 VanDerWaalsContact C-N 3.29Å; K125-Y127 PolarHBondContact O-N 3.43Å; Y127-R130 PolarHBondContact O-N 3.33Å; Y127-A131 WeakPolarHBondContact O-CB 3.38Å; Y127-A131 PolarHBondContact O-N 3.21Å; Y127-L148 HydrophobicContact CD1-CD2 3.81Å; Y127-L148 HydrophobicContact CE1-CD2 3.5Å; Y127-L148 VanDerWaalsContact CE1-CD2 3.5Å; Y127-K151 PolarHBondContact OH-NZ 3.49Å; Y127-K151 VanDerWaalsContact OH-NZ 3.1Å; Y127-W166 HydrophobicContact CD1-CE3 4.08Å; Y127-W166 HydrophobicContact CD1-CZ3 4.15Å; Y127-W166 HydrophobicContact CD2-CE3 4.13Å; Y127-W166 HydrophobicContact CE1-CZ3 4.47Å; Y127-W166 AromaticContact CG-CE3 3.77Å; Y127-W166 HydrophobicContact CG-CE3 3.77Å; Y127-W166 HydrophobicContact CG-CZ3 4.31Å; Y127-E169 HydrophobicContact CD2-CB 3.96Å; Y127-E169 HydrophobicContact CD2-CG 4.27Å; Y127-E169 HydrophobicContact CE2-CB 3.62Å; Y127-E169 HydrophobicContact CE2-CG 3.56Å; Y127-P170 WeakPolarHBondContact CE2-O 3.32Å; Y127-P170 PolarHBondContact OH-O 3.45Å; Y127-L171 HydrophobicContact CD2-CD2 4.3Å; Y127-L171 HydrophobicContact CE2-CD2 4.01Å
128V87.8Confident82.9Confident15 Ų1566.7 Ų66.79%0.09133%0.33CS..Hα-helixtrans-60.8-48.7176.4171.20000110.7A124 K125 R130 A131 M132 L148 L152A124-V128 WeakPolarHBondContact O-CG2 3.35Å; A124-V128 PolarHBondContact O-N 2.92Å; K125-V128 PolarHBondContact O-N 3.42Å; V128-R130 PolarHBondContact O-N 2.84Å; V128-A131 WeakPolarHBondContact O-CB 3.42Å; V128-A131 PolarHBondContact O-N 3.28Å; V128-M132 HydrophobicContact CG1-CG 4.34Å; V128-M132 VanDerWaalsContact O-CG 3.31Å; V128-M132 WeakPolarHBondContact O-CG 3.29Å; V128-M132 PolarHBondContact O-N 3.49Å; V128-L148 HydrophobicContact CB-CD1 4.47Å; V128-L148 HydrophobicContact CG1-CD1 4.13Å; V128-L148 HydrophobicContact CG2-CD1 4.35Å; V128-L148 HydrophobicContact CG2-CD2 4.46Å; V128-L152 HydrophobicContact CG2-CD1 3.43Å; V128-L152 VanDerWaalsContact CG2-CD1 3.43Å
129I87.3Confident83.9Confident36 Ų3663.8 Ų63.819%0.18532%0.319CS..Hα-helixtrans-57.8-51.2179.2-66.7164.5000110.4V37 W43 K125 K126 A131 M132 E133V37-I129 HydrophobicContact CG1-CD1 3.28Å; W43-I129 HydrophobicContact CE3-CG1 4.46Å; K125-I129 WeakPolarHBondContact O-CG1 3.32Å; K125-I129 PolarHBondContact O-N 3.42Å; K125-I129 VanDerWaalsContact O-N 3.1Å; K126-I129 PolarHBondContact O-N 3.34Å; I129-A131 VanDerWaalsContact C-N 3.25Å; I129-A131 PolarHBondContact O-N 2.8Å; I129-M132 PolarHBondContact O-N 2.7Å; I129-M132 VanDerWaalsContact O-N 3.16Å; I129-E133 HydrophobicContact CG2-CG 4.33Å; I129-E133 WeakPolarHBondContact O-CG 3.41Å; I129-E133 PolarHBondContact O-N 2.67Å
130R87.9Confident84.3Confident77 Ų7760.1 Ų60.129%0.29131%0.305SS..Hα-helixtrans-60.4-35.8179.5-169.4-17454.8177.40.4112.4K126 Y127 V128 C134 W166 I167 E169 L171K126-R130 VanDerWaalsContact O-CB 3.32Å; K126-R130 WeakPolarHBondContact O-CB 3.48Å; K126-R130 PolarHBondContact O-N 2.87Å; Y127-R130 PolarHBondContact O-N 3.33Å; V128-R130 PolarHBondContact O-N 2.84Å; R130-C134 PolarHBondContact O-N 3.48Å; R130-C134 PolarHBondContact O-SG 3.34Å; R130-W166 PolarHBondContact NH2-O 3.49Å; R130-I167 PolarHBondContact NH1-O 3.31Å; R130-E169 PolarHBondContact NH2-O 3.48Å; R130-L171 HydrophobicContact CB-CD2 4.1Å; R130-L171 HydrophobicContact CG-CD1 3.65Å; R130-L171 HydrophobicContact CG-CD2 3.99Å; R130-L171 HydrophobicContact CG-CG 4.33Å; R130-L171 VanDerWaalsContact NE-CD2 3.27Å
131A85.8Confident84.5Confident0 Ų062 Ų620%031%0.314CS..Hα-helixtrans-67.4-46.8175.700000111.6Y127 V128 I129 E133 C134 I144 L148 L171 P172Y127-A131 WeakPolarHBondContact O-CB 3.38Å; Y127-A131 PolarHBondContact O-N 3.21Å; V128-A131 WeakPolarHBondContact O-CB 3.42Å; V128-A131 PolarHBondContact O-N 3.28Å; I129-A131 VanDerWaalsContact C-N 3.25Å; I129-A131 PolarHBondContact O-N 2.8Å; A131-E133 VanDerWaalsContact C-N 3.34Å; A131-E133 PolarHBondContact O-N 3.35Å; A131-C134 WeakPolarHBondContact O-CB 3.28Å; A131-C134 PolarHBondContact O-N 3.2Å; A131-C134 VanDerWaalsContact O-N 3.15Å; A131-I144 HydrophobicContact CB-CG2 3.76Å; A131-L148 HydrophobicContact CB-CD1 4.01Å; A131-L148 HydrophobicContact CB-CD2 4.13Å; A131-L148 HydrophobicContact CB-CG 4.45Å; A131-L171 HydrophobicContact CB-CD2 3.82Å; A131-P172 HydrophobicContact CB-CG 4.41Å
132M84Confident84.4Confident32 Ų3267.7 Ų67.716%0.15834%0.34CS..Hα-helixtrans-65.7-35.9178.4-63.4-62-76.200112V128 I129 C134 A135 E141 I144 L148V128-M132 HydrophobicContact CG1-CG 4.34Å; V128-M132 VanDerWaalsContact O-CG 3.31Å; V128-M132 WeakPolarHBondContact O-CG 3.29Å; V128-M132 PolarHBondContact O-N 3.49Å; I129-M132 PolarHBondContact O-N 2.7Å; I129-M132 VanDerWaalsContact O-N 3.16Å; M132-C134 PolarHBondContact O-N 2.93Å; M132-A135 WeakPolarHBondContact O-CB 3.35Å; M132-A135 PolarHBondContact O-N 3.43Å; M132-E141 HydrophobicContact CE-CG 3.33Å; M132-E141 WeakPolarHBondContact CE-OE1 3.45Å; M132-E141 HydrophobicContact SD-CG 4.36Å; M132-I144 HydrophobicContact SD-CG2 4.03Å; M132-L148 HydrophobicContact SD-CD1 4.38Å
133E84.6Confident84.5Confident136 Ų13667.9 Ų67.964%0.63634%0.336SS*.Hα-helixtrans-63.8-23.5174.1-75.4175.4172.400113.3I129 A131 A135I129-E133 HydrophobicContact CG2-CG 4.33Å; I129-E133 WeakPolarHBondContact O-CG 3.41Å; I129-E133 PolarHBondContact O-N 2.67Å; A131-E133 VanDerWaalsContact C-N 3.34Å; A131-E133 PolarHBondContact O-N 3.35Å; E133-A135 VanDerWaalsContact C-N 3.31Å
134C80.5Confident84.5Confident47 Ų4767.1 Ų67.132%0.31833%0.326SS..THydrogen-bonded Turntrans-80.8-12.1174.7-67.60000113.2R130 A131 M132 R136 L171 T173R130-C134 PolarHBondContact O-N 3.48Å; R130-C134 PolarHBondContact O-SG 3.34Å; A131-C134 WeakPolarHBondContact O-CB 3.28Å; A131-C134 PolarHBondContact O-N 3.2Å; A131-C134 VanDerWaalsContact O-N 3.15Å; M132-C134 PolarHBondContact O-N 2.93Å; C134-R136 PolarHBondContact O-N 3.45Å; C134-L171 WeakPolarHBondContact SG-CD1 3.34Å; C134-T173 HydrophobicContact CB-CG2 4.5Å
135A82Confident84.4Confident22 Ų2267.8 Ų67.818%0.18233%0.329CS..  trans-72112.6175.200000109.7M132 E133 D140 E141 I144M132-A135 WeakPolarHBondContact O-CB 3.35Å; M132-A135 PolarHBondContact O-N 3.43Å; E133-A135 VanDerWaalsContact C-N 3.31Å; A135-D140 HydrophobicContact CB-CB 4.28Å; A135-E141 HydrophobicContact CB-CB 3.97Å; A135-E141 HydrophobicContact CB-CG 4.48Å; A135-I144 HydrophobicContact CB-CD1 3.72Å
136R77.4Confident84.4Confident240 Ų24072.4 Ų72.491%0.90635%0.349SS*.  trans-91.8-21.8175.8-64.9-176.3-179.2-171.30.2112.6C134C134-R136 PolarHBondContact O-N 3.45Å
137T80.6Confident84.3Confident66 Ų6668 Ų6841%0.40533%0.332SS..SBendtrans-126.1155.5-177.870.70000110.1E139 D140 E141T137-E139 PolarHBondContact O-N 3.01Å; T137-D140 PolarHBondContact O-N 3.24Å; T137-D140 VanDerWaalsContact O-N 3.14Å; T137-D140 WeakPolarHBondContact OG1-CB 3.36Å; T137-D140 PolarHBondContact OG1-N 3.25Å; T137-D140 VanDerWaalsContact OG1-N 3.15Å; T137-D140 PolarHBondContact OG1-OD2 2.64Å; T137-E141 PolarHBondContact O-N 3.18Å
138A82Confident84.3Confident81 Ų8168.2 Ų68.267%0.66933%0.334SS*.Hα-helixtrans-61.6-32.4175.800000112.2D140 E141 E142A138-D140 VanDerWaalsContact C-N 3.35Å; A138-E141 WeakPolarHBondContact O-CB 3.3Å; A138-E141 PolarHBondContact O-N 3.24Å; A138-E142 PolarHBondContact O-N 3.41Å; A138-E142 VanDerWaalsContact O-N 3.16Å
139E82.6Confident84Confident134 Ų13470.3 Ų70.363%0.62634%0.34SS*.Hα-helixtrans-66.9-35.9175.2-61.6176.7-167.700112.3T137 K143T137-E139 PolarHBondContact O-N 3.01Å; E139-K143 WeakPolarHBondContact O-CD 3.21Å; E139-K143 WeakPolarHBondContact O-CG 3.45Å; E139-K143 PolarHBondContact O-N 3.09Å
140D82.4Confident83.9Confident50 Ų5073.9 Ų73.927%0.26736%0.359SS..Hα-helixtrans-71.6-37.6175.8-63.6-33.2000111A135 T137 A138 E142 K143 I144A135-D140 HydrophobicContact CB-CB 4.28Å; T137-D140 PolarHBondContact O-N 3.24Å; T137-D140 VanDerWaalsContact O-N 3.14Å; T137-D140 WeakPolarHBondContact OG1-CB 3.36Å; T137-D140 PolarHBondContact OG1-N 3.25Å; T137-D140 VanDerWaalsContact OG1-N 3.15Å; T137-D140 PolarHBondContact OG1-OD2 2.64Å; A138-D140 VanDerWaalsContact C-N 3.35Å; D140-E142 PolarHBondContact O-N 2.88Å; D140-K143 PolarHBondContact O-N 3.24Å; D140-K143 IonicContact OD1-NZ 2.7Å; D140-I144 HydrophobicContact CB-CD1 4.37Å; D140-I144 VanDerWaalsContact O-CB 3.29Å; D140-I144 WeakPolarHBondContact O-CB 3.25Å; D140-I144 VanDerWaalsContact O-CD1 3.3Å; D140-I144 WeakPolarHBondContact O-CD1 3.18Å; D140-I144 WeakPolarHBondContact O-CG1 3.39Å; D140-I144 PolarHBondContact O-N 2.9Å
141E83.8Confident83.7Confident46 Ų4671 Ų7122%0.21535%0.348CS..Hα-helixtrans-56.7-50.1176-166.1172.1175.500110.7K45 M132 A135 T137 A138 K143 I144 E145K45-E141 IonicContact NZ-OE2 3.95Å; M132-E141 HydrophobicContact CE-CG 3.33Å; M132-E141 WeakPolarHBondContact CE-OE1 3.45Å; M132-E141 HydrophobicContact SD-CG 4.36Å; A135-E141 HydrophobicContact CB-CB 3.97Å; A135-E141 HydrophobicContact CB-CG 4.48Å; T137-E141 PolarHBondContact O-N 3.18Å; A138-E141 WeakPolarHBondContact O-CB 3.3Å; A138-E141 PolarHBondContact O-N 3.24Å; E141-K143 PolarHBondContact O-N 3.39Å; E141-I144 PolarHBondContact O-N 2.81Å; E141-E145 WeakPolarHBondContact O-CB 3.42Å; E141-E145 PolarHBondContact O-N 2.74Å
142E83.8Confident83.7Confident130 Ų13071 Ų7161%0.60735%0.348SS*.Hα-helixtrans-63.4-42.7178-167.5-167.5162.700112.4A138 D140 E145 K146A138-E142 PolarHBondContact O-N 3.41Å; A138-E142 VanDerWaalsContact O-N 3.16Å; D140-E142 PolarHBondContact O-N 2.88Å; E142-E145 PolarHBondContact O-N 3.16Å; E142-K146 WeakPolarHBondContact O-CB 3.14Å; E142-K146 PolarHBondContact O-N 3.15Å
143K86.6Confident83.6Confident112 Ų11271.7 Ų71.749%0.48735%0.352SS..Hα-helixtrans-62.2-45.2177-72.1167-161.6159.30111.3E139 D140 E141 K146 L147E139-K143 WeakPolarHBondContact O-CD 3.21Å; E139-K143 WeakPolarHBondContact O-CG 3.45Å; E139-K143 PolarHBondContact O-N 3.09Å; D140-K143 PolarHBondContact O-N 3.24Å; D140-K143 IonicContact OD1-NZ 2.7Å; E141-K143 PolarHBondContact O-N 3.39Å; K143-K146 PolarHBondContact O-N 3.48Å; K143-L147 WeakPolarHBondContact O-CB 3.39Å; K143-L147 VanDerWaalsContact O-CG 3.29Å; K143-L147 WeakPolarHBondContact O-CG 3.2Å; K143-L147 PolarHBondContact O-N 3.17Å
144I86.3Confident83.6Confident6 Ų668.5 Ų68.53%0.03134%0.343CS..Hα-helixtrans-63.6-47178.8-72160.7000109.5A131 M132 A135 D140 E141 K146 L147 L148 P172 T173A131-I144 HydrophobicContact CB-CG2 3.76Å; M132-I144 HydrophobicContact SD-CG2 4.03Å; A135-I144 HydrophobicContact CB-CD1 3.72Å; D140-I144 HydrophobicContact CB-CD1 4.37Å; D140-I144 VanDerWaalsContact O-CB 3.29Å; D140-I144 WeakPolarHBondContact O-CB 3.25Å; D140-I144 VanDerWaalsContact O-CD1 3.3Å; D140-I144 WeakPolarHBondContact O-CD1 3.18Å; D140-I144 WeakPolarHBondContact O-CG1 3.39Å; D140-I144 PolarHBondContact O-N 2.9Å; E141-I144 PolarHBondContact O-N 2.81Å; I144-K146 PolarHBondContact O-N 3.4Å; I144-L147 PolarHBondContact O-N 3.46Å; I144-L148 HydrophobicContact CG2-CD1 3.77Å; I144-L148 HydrophobicContact CG2-CG 4.13Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 WeakPolarHBondContact O-CG 3.47Å; I144-L148 PolarHBondContact O-N 2.99Å; I144-P172 HydrophobicContact CG1-CB 4.38Å; I144-P172 HydrophobicContact CG2-CG 4.43Å; I144-T173 WeakPolarHBondContact CD1-OG1 3.47Å
145E85Confident83.9Confident14 Ų1467.7 Ų67.77%0.06534%0.336CS..Hα-helixtrans-58.5-46.4177.6-171.8-174.3146.200111.7L50 V53 E141 E142 L147 L148 R149L50-E145 HydrophobicContact CD2-CG 3.94Å; V53-E145 WeakPolarHBondContact CG2-OE1 3.38Å; E141-E145 WeakPolarHBondContact O-CB 3.42Å; E141-E145 PolarHBondContact O-N 2.74Å; E142-E145 PolarHBondContact O-N 3.16Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.44Å; E145-L148 PolarHBondContact O-N 3.26Å; E145-R149 WeakPolarHBondContact O-CG 3.4Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 3.84Å; E145-R149 IonicContact OE1-NH1 2.66Å; E145-R149 PolarHBondContact OE1-NH1 3.46Å; E145-R149 IonicContact OE1-NH2 2.98Å; E145-R149 PolarHBondContact OE1-NH2 2.93Å
146K85.9Confident84.1Confident138 Ų13868.1 Ų68.160%0.634%0.335SS*.Hα-helixtrans-60.8-42.8176.5-171.4174.5-176.9173.60112E142 K143 I144 R149 L150E142-K146 WeakPolarHBondContact O-CB 3.14Å; E142-K146 PolarHBondContact O-N 3.15Å; K143-K146 PolarHBondContact O-N 3.48Å; I144-K146 PolarHBondContact O-N 3.4Å; K146-R149 PolarHBondContact O-N 2.94Å; K146-L150 WeakPolarHBondContact O-CG 3.25Å; K146-L150 PolarHBondContact O-N 3.28Å; K146-L150 VanDerWaalsContact O-N 3.14Å
147L84.8Confident84.3Confident44 Ų4464.4 Ų64.423%0.2333%0.328CS..Hα-helixtrans-66.5-40.9176.4-74.2171.4000112.2K143 I144 E145 R149 L150 K151 P172 F177 L179K143-L147 WeakPolarHBondContact O-CB 3.39Å; K143-L147 VanDerWaalsContact O-CG 3.29Å; K143-L147 WeakPolarHBondContact O-CG 3.2Å; K143-L147 PolarHBondContact O-N 3.17Å; I144-L147 PolarHBondContact O-N 3.46Å; E145-L147 VanDerWaalsContact C-N 3.35Å; E145-L147 PolarHBondContact O-N 3.44Å; L147-R149 VanDerWaalsContact C-N 3.34Å; L147-L150 PolarHBondContact O-N 3.14Å; L147-K151 WeakPolarHBondContact O-CB 3.38Å; L147-K151 PolarHBondContact O-N 3.34Å; L147-P172 HydrophobicContact CB-CB 4.18Å; L147-P172 HydrophobicContact CB-CG 4.49Å; L147-P172 HydrophobicContact CD1-CB 3.79Å; L147-F177 HydrophobicContact CD1-CE1 4.21Å; L147-F177 HydrophobicContact CD2-CE1 4.17Å; L147-L179 HydrophobicContact CD2-CD1 4.06Å; L147-L179 HydrophobicContact CD2-CD2 4.3Å
148L88.4Confident84.5Confident7 Ų764.1 Ų64.14%0.03733%0.328CS..Hα-helixtrans-61.5-43175.8-73.3174.5000110.8Y127 V128 A131 M132 I144 E145 K151 L152 P172Y127-L148 HydrophobicContact CD1-CD2 3.81Å; Y127-L148 HydrophobicContact CE1-CD2 3.5Å; Y127-L148 VanDerWaalsContact CE1-CD2 3.5Å; V128-L148 HydrophobicContact CB-CD1 4.47Å; V128-L148 HydrophobicContact CG1-CD1 4.13Å; V128-L148 HydrophobicContact CG2-CD1 4.35Å; V128-L148 HydrophobicContact CG2-CD2 4.46Å; A131-L148 HydrophobicContact CB-CD1 4.01Å; A131-L148 HydrophobicContact CB-CD2 4.13Å; A131-L148 HydrophobicContact CB-CG 4.45Å; M132-L148 HydrophobicContact SD-CD1 4.38Å; I144-L148 HydrophobicContact CG2-CD1 3.77Å; I144-L148 HydrophobicContact CG2-CG 4.13Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 WeakPolarHBondContact O-CG 3.47Å; I144-L148 PolarHBondContact O-N 2.99Å; E145-L148 PolarHBondContact O-N 3.26Å; L148-K151 PolarHBondContact O-N 3.16Å; L148-L152 HydrophobicContact CB-CD1 4.13Å; L148-L152 HydrophobicContact CD2-CD1 4.03Å; L148-L152 WeakPolarHBondContact O-CB 3.21Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 2.98Å; L148-P172 HydrophobicContact CD2-CG 4.23Å; L148-P172 HydrophobicContact CG-CG 4.49Å
149R82.8Confident84.6Confident58 Ų5861.4 Ų61.422%0.21931%0.308CS..Hα-helixtrans-59.5-49.6174.8-74.4-169.4176.6109.4-1112.2V53 W115 E145 K146 L147 K151 L153V53-R149 VanDerWaalsContact CG1-NH1 3.34Å; W115-R149 HydrophobicContact CZ2-CG 4Å; E145-R149 WeakPolarHBondContact O-CG 3.4Å; E145-R149 PolarHBondContact O-N 3.39Å; E145-R149 IonicContact OE1-CZ 3.84Å; E145-R149 IonicContact OE1-NH1 2.66Å; E145-R149 PolarHBondContact OE1-NH1 3.46Å; E145-R149 IonicContact OE1-NH2 2.98Å; E145-R149 PolarHBondContact OE1-NH2 2.93Å; K146-R149 PolarHBondContact O-N 2.94Å; L147-R149 VanDerWaalsContact C-N 3.34Å; R149-K151 PolarHBondContact O-N 3.36Å; R149-L153 HydrophobicContact CB-CD1 4.35Å; R149-L153 WeakPolarHBondContact O-CB 3.43Å; R149-L153 VanDerWaalsContact O-CG 3.3Å; R149-L153 WeakPolarHBondContact O-CG 3.42Å; R149-L153 PolarHBondContact O-N 3.19Å
150L84.3Confident84.6Confident112 Ų11258.4 Ų58.459%0.58630%0.296SS*.Hα-helixtrans-61.3-32.7-179.3-72.2172.9000112.9K146 L147 P154K146-L150 WeakPolarHBondContact O-CG 3.25Å; K146-L150 PolarHBondContact O-N 3.28Å; K146-L150 VanDerWaalsContact O-N 3.14Å; L147-L150 PolarHBondContact O-N 3.14Å; L150-P154 WeakPolarHBondContact O-CD 3.4Å; L150-P154 WeakPolarHBondContact O-CG 3.45Å
151K83.8Confident84.7Confident16 Ų1656 Ų567%0.0728%0.283CS..Hα-helixtrans-88.3-46.8-178.2-175.6176.4179.1175.80112.9Y127 L147 L148 R149 L155 E169 F177Y127-K151 PolarHBondContact OH-NZ 3.49Å; Y127-K151 VanDerWaalsContact OH-NZ 3.1Å; L147-K151 WeakPolarHBondContact O-CB 3.38Å; L147-K151 PolarHBondContact O-N 3.34Å; L148-K151 PolarHBondContact O-N 3.16Å; R149-K151 PolarHBondContact O-N 3.36Å; K151-L155 HydrophobicContact CG-CD1 3.93Å; K151-L155 VanDerWaalsContact O-CD1 3.28Å; K151-L155 WeakPolarHBondContact O-CD1 3.29Å; K151-L155 WeakPolarHBondContact O-CG 3.15Å; K151-E169 WeakPolarHBondContact CE-OE1 3.41Å; K151-E169 VanDerWaalsContact NZ-CG 3.28Å; K151-E169 IonicContact NZ-OE1 2.67Å; K151-E169 PolarHBondContact NZ-OE1 3.02Å; K151-F177 HydrophobicContact CD-CE2 4.28Å
152L85.5Confident84.7Confident0 Ų061.6 Ų61.60%030%0.302CS..Hα-helixtrans-77.2-37.1-171.7-73164.9000112.4W115 A124 V128 L148 L155 L156 W166W115-L152 HydrophobicContact CH2-CB 3.61Å; W115-L152 HydrophobicContact CH2-CD1 3.85Å; W115-L152 HydrophobicContact CH2-CG 4.35Å; W115-L152 HydrophobicContact CZ3-CB 3.95Å; W115-L152 HydrophobicContact CZ3-CD1 3.61Å; W115-L152 HydrophobicContact CZ3-CG 4.4Å; A124-L152 HydrophobicContact CB-CD2 4.14Å; V128-L152 HydrophobicContact CG2-CD1 3.43Å; V128-L152 VanDerWaalsContact CG2-CD1 3.43Å; L148-L152 HydrophobicContact CB-CD1 4.13Å; L148-L152 HydrophobicContact CD2-CD1 4.03Å; L148-L152 WeakPolarHBondContact O-CB 3.21Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.1Å; L152-L156 HydrophobicContact CB-CD1 4.45Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 3.14Å; L152-W166 HydrophobicContact CD2-CH2 3.32Å; L152-W166 HydrophobicContact CD2-CZ2 4.02Å; L152-W166 HydrophobicContact CD2-CZ3 3.68Å
153L83.1Confident84.8Confident46 Ų4665.1 Ų65.124%0.24131%0.31CS..Hα-helixtrans-59.1-52.7-178.6-67.2172.6000111.9W115 R149 L155 L156 E157W115-L153 HydrophobicContact CZ2-CD1 4.45Å; W115-L153 HydrophobicContact CZ2-CD2 3.62Å; W115-L153 HydrophobicContact CZ2-CG 3.78Å; R149-L153 HydrophobicContact CB-CD1 4.35Å; R149-L153 WeakPolarHBondContact O-CB 3.43Å; R149-L153 VanDerWaalsContact O-CG 3.3Å; R149-L153 WeakPolarHBondContact O-CG 3.42Å; R149-L153 PolarHBondContact O-N 3.19Å; L153-L155 VanDerWaalsContact C-N 3.26Å; L153-L155 PolarHBondContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.12Å; L153-E157 WeakPolarHBondContact O-CB 3.46Å; L153-E157 WeakPolarHBondContact O-CG 3.49Å; L153-E157 PolarHBondContact O-N 3.05Å
154P84.3Confident84.5Confident69 Ų6962.6 Ų62.645%0.44830%0.3SS..Hα-helixtrans-63.2-32.1177.7-21.634.4000113.1L150 S158L150-P154 WeakPolarHBondContact O-CD 3.4Å; L150-P154 WeakPolarHBondContact O-CG 3.45Å; P154-S158 WeakPolarHBondContact O-CB 3.47Å; P154-S158 PolarHBondContact O-N 3.31Å; P154-S158 PolarHBondContact O-OG 3.42Å
155L86.2Confident84.5Confident30 Ų3066.9 Ų66.916%0.15732%0.323CS..Hα-helixtrans-73.5-34.7179.4-69.5175.7000112.6K151 L152 L153 S158 G159 I160 A161 W166K151-L155 HydrophobicContact CG-CD1 3.93Å; K151-L155 VanDerWaalsContact O-CD1 3.28Å; K151-L155 WeakPolarHBondContact O-CD1 3.29Å; K151-L155 WeakPolarHBondContact O-CG 3.15Å; L152-L155 PolarHBondContact O-N 3.1Å; L153-L155 VanDerWaalsContact C-N 3.26Å; L153-L155 PolarHBondContact O-N 3.08Å; L155-S158 WeakPolarHBondContact CA-OG 3.35Å; L155-S158 PolarHBondContact O-OG 3.21Å; L155-G159 CarbonylContact O-C 3.58Å; L155-G159 PolarHBondContact O-N 3.11Å; L155-I160 HydrophobicContact CD2-CB 3.96Å; L155-I160 HydrophobicContact CD2-CG2 3.79Å; L155-I160 PolarHBondContact O-N 3.16Å; L155-A161 HydrophobicContact CB-CB 4.12Å; L155-A161 WeakPolarHBondContact O-CB 3.3Å; L155-A161 PolarHBondContact O-N 3.31Å; L155-W166 HydrophobicContact CD1-CH2 3.69Å; L155-W166 HydrophobicContact CD1-CZ2 4.46Å
156L86.3Confident84.7Confident31 Ų3166.6 Ų66.616%0.16232%0.322CS..Hα-helixtrans-72.4-45.8175.1-71.5169.8000110.5M120 L152 L153 S158 G159 A161M120-L156 HydrophobicContact CB-CD2 4.31Å; M120-L156 HydrophobicContact CG-CD2 4.21Å; M120-L156 HydrophobicContact SD-CD1 4.47Å; L152-L156 HydrophobicContact CB-CD1 4.45Å; L152-L156 WeakPolarHBondContact O-CB 3.34Å; L152-L156 VanDerWaalsContact O-CG 3.25Å; L152-L156 WeakPolarHBondContact O-CG 3.36Å; L152-L156 PolarHBondContact O-N 3.14Å; L153-L156 PolarHBondContact O-N 3.12Å; L156-S158 PolarHBondContact O-N 3.29Å; L156-G159 PolarHBondContact O-N 3.15Å; L156-G159 VanDerWaalsContact O-N 3.1Å; L156-A161 HydrophobicContact CD2-CB 3.79Å; L156-A161 HydrophobicContact CG-CB 4.29Å
157E82.4Confident84.5Confident163 Ų16365.4 Ų65.476%0.76232%0.321SS*.Hα-helixtrans-61.2-42.2177.3-72.7174.7-177.700112.4L153 G159L153-E157 WeakPolarHBondContact O-CB 3.46Å; L153-E157 WeakPolarHBondContact O-CG 3.49Å; L153-E157 PolarHBondContact O-N 3.05Å; E157-G159 PolarHBondContact O-N 3.27Å
158S84.3Confident84.3Confident59 Ų5969.2 Ų69.241%0.41334%0.341SS..THydrogen-bonded Turntrans-75.8-8.5176.760.60000114.1P154 L155 L156 I160P154-S158 WeakPolarHBondContact O-CB 3.47Å; P154-S158 PolarHBondContact O-N 3.31Å; P154-S158 PolarHBondContact O-OG 3.42Å; L155-S158 WeakPolarHBondContact CA-OG 3.35Å; L155-S158 PolarHBondContact O-OG 3.21Å; L156-S158 PolarHBondContact O-N 3.29Å; S158-I160 PolarHBondContact O-N 3.18Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 WeakPolarHBondContact OG-CB 3.32Å; S158-I160 WeakPolarHBondContact OG-CD1 3.37Å; S158-I160 VanDerWaalsContact OG-CG1 3.28Å; S158-I160 WeakPolarHBondContact OG-CG1 3.46Å; S158-I160 PolarHBondContact OG-N 3.24Å
159G84.1Confident84Confident24 Ų2471 Ų7125%0.24735%0.35CS..THydrogen-bonded Turntrans66.14.1-171.900000114.4L155 L156 E157 A161 W162L155-G159 CarbonylContact O-C 3.58Å; L155-G159 PolarHBondContact O-N 3.11Å; L156-G159 PolarHBondContact O-N 3.15Å; L156-G159 VanDerWaalsContact O-N 3.1Å; E157-G159 PolarHBondContact O-N 3.27Å; G159-A161 PolarHBondContact O-N 2.98Å; G159-W162 PolarHBondContact O-N 3.05Å
160I83.3Confident83.9Confident72 Ų7270.2 Ų70.237%0.36935%0.352SS..G310 helixtrans-65.3-28.8177.6-63.7171.4000110.5L155 S158 W162 R163 M164L155-I160 HydrophobicContact CD2-CB 3.96Å; L155-I160 HydrophobicContact CD2-CG2 3.79Å; L155-I160 PolarHBondContact O-N 3.16Å; S158-I160 PolarHBondContact O-N 3.18Å; S158-I160 VanDerWaalsContact O-N 3.12Å; S158-I160 WeakPolarHBondContact OG-CB 3.32Å; S158-I160 WeakPolarHBondContact OG-CD1 3.37Å; S158-I160 VanDerWaalsContact OG-CG1 3.28Å; S158-I160 WeakPolarHBondContact OG-CG1 3.46Å; S158-I160 PolarHBondContact OG-N 3.24Å; I160-W162 PolarHBondContact O-N 3.27Å; I160-R163 WeakPolarHBondContact O-CA 3.45Å; I160-R163 PolarHBondContact O-N 2.88Å; I160-M164 HydrophobicContact CG2-CG 4.07Å; I160-M164 HydrophobicContact CG2-SD 4.26Å; I160-M164 PolarHBondContact O-N 3.45Å
161A83.8Confident83.7Confident0 Ų065.4 Ų65.40%033%0.327CS..G310 helixtrans-51.4-33.1178.100000113.4P121 L155 L156 G159 R163 W166P121-A161 HydrophobicContact CG-CB 4.08Å; L155-A161 HydrophobicContact CB-CB 4.12Å; L155-A161 WeakPolarHBondContact O-CB 3.3Å; L155-A161 PolarHBondContact O-N 3.31Å; L156-A161 HydrophobicContact CD2-CB 3.79Å; L156-A161 HydrophobicContact CG-CB 4.29Å; G159-A161 PolarHBondContact O-N 2.98Å; A161-R163 VanDerWaalsContact C-N 3.26Å; A161-R163 PolarHBondContact O-N 3.29Å; A161-W166 HydrophobicContact CB-CZ2 3.77Å; A161-W166 PolarHBondContact O-NE1 2.98Å
162W84.5Confident83.1Confident163 Ų16365.4 Ų65.462%0.61733%0.329SS*.G310 helixtrans-73.3-16.4178.8-63.591.3000114.1P121 G159 I160P121-W162 HydrophobicContact CB-CD2 4.03Å; P121-W162 HydrophobicContact CB-CE3 3.72Å; P121-W162 HydrophobicContact CB-CH2 4.33Å; P121-W162 HydrophobicContact CB-CZ3 3.88Å; P121-W162 HydrophobicContact CG-CD2 4.27Å; P121-W162 HydrophobicContact CG-CE3 4.45Å; G159-W162 PolarHBondContact O-N 3.05Å; I160-W162 PolarHBondContact O-N 3.27Å
163R84.5Confident82.2Confident204 Ų20468.8 Ų68.877%0.7735%0.349SS*.G310 helixtrans-105.2-6.4-179.2-67.6-174.2-88.5-133.3-2.1113.2I160 A161I160-R163 WeakPolarHBondContact O-CA 3.45Å; I160-R163 PolarHBondContact O-N 2.88Å; A161-R163 VanDerWaalsContact C-N 3.26Å; A161-R163 PolarHBondContact O-N 3.29Å
164M82Confident81.3Confident58 Ų5869.9 Ų69.929%0.28636%0.355SS..SBendtrans-79.8137.9178.6-71.2-64.7-68.100111I160 W166I160-M164 HydrophobicContact CG2-CG 4.07Å; I160-M164 HydrophobicContact CG2-SD 4.26Å; I160-M164 PolarHBondContact O-N 3.45Å; M164-W166 HydrophobicContact CB-CD2 4.19Å; M164-W166 HydrophobicContact CB-CZ2 3.93Å; M164-W166 HydrophobicContact CG-CZ2 4.29Å; M164-W166 VanDerWaalsContact O-CD1 3.27Å; M164-W166 PolarHBondContact O-N 3.05Å; M164-W166 VanDerWaalsContact O-N 3.14Å
165N84.9Confident80Confident96 Ų9673.1 Ų73.151%0.51338%0.376SS..  trans-8780.1172.3-164.3-4.4000110.2I167 N168 E169N165-I167 PolarHBondContact O-N 3.5Å; N165-I167 VanDerWaalsContact O-N 3.1Å; N165-N168 PolarHBondContact ND2-ND2 3.09Å; N165-N168 PolarHBondContact O-N 3.48Å; N165-N168 VanDerWaalsContact O-N 3.07Å; N165-E169 PolarHBondContact O-N 2.94Å
166W89Confident78.8Confident8 Ų875 Ų753%0.0340%0.396CS..THydrogen-bonded Turntrans-57.4-24.9-175.9-64.3104.9000114.9G123 A124 Y127 R130 L152 L155 A161 M164 N168G123-W166 VanDerWaalsContact C-CD1 3.48Å; G123-W166 WeakPolarHBondContact O-CB 3.31Å; A124-W166 HydrophobicContact CB-CD2 3.9Å; A124-W166 HydrophobicContact CB-CE3 4.45Å; A124-W166 HydrophobicContact CB-CG 4.29Å; A124-W166 HydrophobicContact CB-CH2 4.45Å; A124-W166 HydrophobicContact CB-CZ2 3.87Å; A124-W166 VanDerWaalsContact N-CD1 3.33Å; Y127-W166 HydrophobicContact CD1-CE3 4.08Å; Y127-W166 HydrophobicContact CD1-CZ3 4.15Å; Y127-W166 HydrophobicContact CD2-CE3 4.13Å; Y127-W166 HydrophobicContact CE1-CZ3 4.47Å; Y127-W166 AromaticContact CG-CE3 3.77Å; Y127-W166 HydrophobicContact CG-CE3 3.77Å; Y127-W166 HydrophobicContact CG-CZ3 4.31Å; R130-W166 PolarHBondContact NH2-O 3.49Å; L152-W166 HydrophobicContact CD2-CH2 3.32Å; L152-W166 HydrophobicContact CD2-CZ2 4.02Å; L152-W166 HydrophobicContact CD2-CZ3 3.68Å; L155-W166 HydrophobicContact CD1-CH2 3.69Å; L155-W166 HydrophobicContact CD1-CZ2 4.46Å; A161-W166 HydrophobicContact CB-CZ2 3.77Å; A161-W166 PolarHBondContact O-NE1 2.98Å; M164-W166 HydrophobicContact CB-CD2 4.19Å; M164-W166 HydrophobicContact CB-CZ2 3.93Å; M164-W166 HydrophobicContact CG-CZ2 4.29Å; M164-W166 VanDerWaalsContact O-CD1 3.27Å; M164-W166 PolarHBondContact O-N 3.05Å; M164-W166 VanDerWaalsContact O-N 3.14Å; W166-N168 VanDerWaalsContact C-N 3.29Å; W166-N168 PolarHBondContact O-N 3.42Å
167I81.5Confident77.6Confident114 Ų11475.1 Ų75.159%0.58540%0.395SS*.THydrogen-bonded Turntrans-64.6-37.8178.5-61.7172.1000110.5R130 N165R130-I167 PolarHBondContact NH1-O 3.31Å; N165-I167 PolarHBondContact O-N 3.5Å; N165-I167 VanDerWaalsContact O-N 3.1Å
168N82Confident76.5Confident123 Ų12376 Ų7666%0.65840%0.396SS*.THydrogen-bonded Turntrans-96.4-5.3-175.1-65.6-8.7000113.6N165 W166N165-N168 PolarHBondContact ND2-ND2 3.09Å; N165-N168 PolarHBondContact O-N 3.48Å; N165-N168 VanDerWaalsContact O-N 3.07Å; W166-N168 VanDerWaalsContact C-N 3.29Å; W166-N168 PolarHBondContact O-N 3.42Å
169E81.6Confident75.2Confident46 Ų4677.2 Ų77.222%0.21540%0.398CS..SBendtrans-71.2131.8-177.2-170.865.7-170.300110.2Y127 R130 K151 N165Y127-E169 HydrophobicContact CD2-CB 3.96Å; Y127-E169 HydrophobicContact CD2-CG 4.27Å; Y127-E169 HydrophobicContact CE2-CB 3.62Å; Y127-E169 HydrophobicContact CE2-CG 3.56Å; R130-E169 PolarHBondContact NH2-O 3.48Å; K151-E169 WeakPolarHBondContact CE-OE1 3.41Å; K151-E169 VanDerWaalsContact NZ-CG 3.28Å; K151-E169 IonicContact NZ-OE1 2.67Å; K151-E169 PolarHBondContact NZ-OE1 3.02Å; N165-E169 PolarHBondContact O-N 2.94Å
170P81Confident73.8Confident41 Ų4180.5 Ų80.527%0.26642%0.415SS..PPolyproline II helixtrans-65.3145.7178.126.7-34.5000110.9Y127 D174Y127-P170 WeakPolarHBondContact CE2-O 3.32Å; Y127-P170 PolarHBondContact OH-O 3.45Å; P170-D174 HydrophobicContact CB-CB 4.41Å
171L80Confident72.3Confident11 Ų1181.5 Ų81.56%0.05843%0.429CS..PPolyproline II helixtrans-76.6153.2179.4-67.8171000110.7Y127 R130 A131 C134 T173 D174 F177Y127-L171 HydrophobicContact CD2-CD2 4.3Å; Y127-L171 HydrophobicContact CE2-CD2 4.01Å; R130-L171 HydrophobicContact CB-CD2 4.1Å; R130-L171 HydrophobicContact CG-CD1 3.65Å; R130-L171 HydrophobicContact CG-CD2 3.99Å; R130-L171 HydrophobicContact CG-CG 4.33Å; R130-L171 VanDerWaalsContact NE-CD2 3.27Å; A131-L171 HydrophobicContact CB-CD2 3.82Å; C134-L171 WeakPolarHBondContact SG-CD1 3.34Å; L171-T173 PolarHBondContact O-N 3.29Å; L171-D174 PolarHBondContact N-OD2 3.1Å; L171-D174 WeakPolarHBondContact O-CB 3.29Å; L171-D174 PolarHBondContact O-N 2.73Å; L171-F177 WeakPolarHBondContact O-CB 3.37Å
172P71Confident70.7Confident16 Ų1687.5 Ų87.510%0.10447%0.47CS..THydrogen-bonded Turntrans-55.8-23.9176.8-25.235.7000114.4A131 I144 L147 L148 F177A131-P172 HydrophobicContact CB-CG 4.41Å; I144-P172 HydrophobicContact CG1-CB 4.38Å; I144-P172 HydrophobicContact CG2-CG 4.43Å; L147-P172 HydrophobicContact CB-CB 4.18Å; L147-P172 HydrophobicContact CB-CG 4.49Å; L147-P172 HydrophobicContact CD1-CB 3.79Å; L148-P172 HydrophobicContact CD2-CG 4.23Å; L148-P172 HydrophobicContact CG-CG 4.49Å; P172-F177 HydrophobicContact CB-CD2 4.49Å; P172-F177 HydrophobicContact CB-CE1 4.43Å; P172-F177 HydrophobicContact CB-CE2 4.28Å; P172-F177 HydrophobicContact CB-CZ 4.25Å; P172-F177 HydrophobicContact CG-CE2 4.16Å; P172-F177 HydrophobicContact CG-CZ 4.38Å
173T66.8Low69.1Low71 Ų7186.5 Ų86.544%0.43648%0.477SS..THydrogen-bonded Turntrans-83.3-17.4177.6-38.80000113.3C134 I144 L171C134-T173 HydrophobicContact CB-CG2 4.5Å; I144-T173 WeakPolarHBondContact CD1-OG1 3.47Å; L171-T173 PolarHBondContact O-N 3.29Å
174D63.7Low67.6Low69 Ų6980.1 Ų80.137%0.36947%0.468SS..SBendtrans-73.2139.5-177.8-72.5-37.3000110.8P170 L171 A176 F177P170-D174 HydrophobicContact CB-CB 4.41Å; L171-D174 PolarHBondContact N-OD2 3.1Å; L171-D174 WeakPolarHBondContact O-CB 3.29Å; L171-D174 PolarHBondContact O-N 2.73Å; D174-A176 PolarHBondContact O-N 3.27Å; D174-F177 WeakPolarHBondContact O-CB 3.22Å; D174-F177 PolarHBondContact O-N 3.37Å
175P57.9Low66.1Low137 Ų13788.2 Ų88.289%0.8950%0.496SS*.THydrogen-bonded Turntrans-62.4-15.1175.426.9-35.2000113.1F177P175-F177 VanDerWaalsContact C-N 3.32Å
176A60.9Low65.2Low68 Ų6887.9 Ų87.956%0.56249%0.493SS*.THydrogen-bonded Turntrans-82.7-5.2173.700000113.6D174 K178D174-A176 PolarHBondContact O-N 3.27Å; A176-K178 PolarHBondContact O-N 3Å
177F60.8Low63.5Low34 Ų3491 Ų9115%0.14951%0.514CS..  trans-69.5102.8179.6-173.4-102.8000110.8L147 K151 L171 P172 D174 P175 L179L147-F177 HydrophobicContact CD1-CE1 4.21Å; L147-F177 HydrophobicContact CD2-CE1 4.17Å; K151-F177 HydrophobicContact CD-CE2 4.28Å; L171-F177 WeakPolarHBondContact O-CB 3.37Å; P172-F177 HydrophobicContact CB-CD2 4.49Å; P172-F177 HydrophobicContact CB-CE1 4.43Å; P172-F177 HydrophobicContact CB-CE2 4.28Å; P172-F177 HydrophobicContact CB-CZ 4.25Å; P172-F177 HydrophobicContact CG-CE2 4.16Å; P172-F177 HydrophobicContact CG-CZ 4.38Å; D174-F177 WeakPolarHBondContact O-CB 3.22Å; D174-F177 PolarHBondContact O-N 3.37Å; P175-F177 VanDerWaalsContact C-N 3.32Å; F177-L179 HydrophobicContact CE1-CD2 3.64Å; F177-L179 HydrophobicContact CE1-CG 3.65Å; F177-L179 HydrophobicContact CZ-CD2 3.58Å; F177-L179 HydrophobicContact CZ-CG 4.11Å
178K59.6Low62.6Low181 Ų18189.2 Ų89.279%0.78752%0.517SS*.  trans-107.9116.1167.6-65.2-179.4-178.2179.90107A176 P180A176-K178 PolarHBondContact O-N 3Å; K178-P180 WeakPolarHBondContact O-CD 3.48Å
179L56.9Low62Low85 Ų8586.8 Ų86.845%0.44551%0.513SS..  trans-56.3124167.3-74.5166.5000107.3L147 F177 S181L147-L179 HydrophobicContact CD2-CD1 4.06Å; L147-L179 HydrophobicContact CD2-CD2 4.3Å; F177-L179 HydrophobicContact CE1-CD2 3.64Å; F177-L179 HydrophobicContact CE1-CG 3.65Å; F177-L179 HydrophobicContact CZ-CD2 3.58Å; F177-L179 HydrophobicContact CZ-CG 4.11Å; L179-S181 PolarHBondContact O-N 2.99Å
180P54.5Low61Low93 Ų9387.3 Ų87.360%0.60452%0.518SS*.  trans-58.4115.6161.924.8-29.1000104.9K178 S182K178-P180 WeakPolarHBondContact O-CD 3.48Å; P180-S182 PolarHBondContact O-N 2.76Å
181S50.4Low60.1Low94 Ų9490.4 Ų90.466%0.65753%0.531SS*.  trans-47.7118.1174.6-54.30000105.9L179 N183 A184L179-S181 PolarHBondContact O-N 2.99Å; S181-N183 PolarHBondContact O-N 3.21Å; S181-A184 WeakPolarHBondContact O-CB 3.4Å; S181-A184 PolarHBondContact O-N 2.77Å
182S51.6Low59.3Low125 Ų12598.8 Ų98.887%0.87457%0.567SS**THydrogen-bonded Turntrans-65.319-165.452.60000114.6P180P180-S182 PolarHBondContact O-N 2.76Å
183N50.5Low58.9Low143 Ų143105.5 Ų105.577%0.76560%0.595SS**THydrogen-bonded Turntrans-143.215.3173.5-109.4-4.1000113.6S181 W185S181-N183 PolarHBondContact O-N 3.21Å; N183-W185 PolarHBondContact O-N 3.31Å
184A53.4Low58.4Low70 Ų70107 Ų10758%0.57960%0.6SS**  trans-75.574.7175.200000110.3S181 I186S181-A184 WeakPolarHBondContact O-CB 3.4Å; S181-A184 PolarHBondContact O-N 2.77Å; A184-I186 PolarHBondContact O-N 2.97Å
185W51.1Low58.1Low228 Ų228109.3 Ų109.386%0.86462%0.619SS**  trans-53.4106.9154.5-8170.5000106.9N183 P187N183-W185 PolarHBondContact O-N 3.31Å; W185-P187 WeakPolarHBondContact O-CD 3.42Å; W185-P187 VanDerWaalsContact O-N 3.08Å
186I65.4Low58Low89 Ų89113.9 Ų113.946%0.45662%0.618SS.*  trans-64110.1167.1-59.1173.7000104.5A184 A188 D190 L191 L194A184-I186 PolarHBondContact O-N 2.97Å; I186-A188 PolarHBondContact O-N 3.27Å; I186-D190 HydrophobicContact CG2-CB 3.79Å; I186-L191 HydrophobicContact CG2-CD2 4.31Å; I186-L191 HydrophobicContact CG2-CG 4.21Å; I186-L194 HydrophobicContact CD1-CD1 4.44Å
187P53.9Low57.7Low72 Ų72116.2 Ų116.247%0.46863%0.627SS.*  trans-55142.3176.7-19.932.8000107.4W185 A189 D190W185-P187 WeakPolarHBondContact O-CD 3.42Å; W185-P187 VanDerWaalsContact O-N 3.08Å; P187-A189 PolarHBondContact O-N 3.49Å; P187-D190 PolarHBondContact O-N 3.13Å
188A62.1Low57Low78 Ų78119 Ų11965%0.64565%0.652SS**THydrogen-bonded Turntrans-54.6-21.2-178.400000113.1I186 D190 L191I186-A188 PolarHBondContact O-N 3.27Å; A188-D190 VanDerWaalsContact C-N 3.33Å; A188-D190 PolarHBondContact O-N 3.12Å; A188-L191 HydrophobicContact CB-CD1 4.34Å
189A68.2Low56.6Low71 Ų71118.8 Ų118.859%0.58766%0.658SS**THydrogen-bonded Turntrans-61.1-33.9171.100000114.1P187P187-A189 PolarHBondContact O-N 3.49Å
190D62.3Low56Low58 Ų58125.3 Ų125.331%0.3168%0.677SS.*THydrogen-bonded Turntrans-94.9-11.6-176.3-69.6-34.9000113.5I186 P187 A188 K192 K193I186-D190 HydrophobicContact CG2-CB 3.79Å; P187-D190 PolarHBondContact O-N 3.13Å; A188-D190 VanDerWaalsContact C-N 3.33Å; A188-D190 PolarHBondContact O-N 3.12Å; D190-K192 PolarHBondContact O-N 3.4Å; D190-K192 VanDerWaalsContact O-N 3.09Å; D190-K193 PolarHBondContact O-N 3.03Å; D190-K193 WeakPolarHBondContact OD1-CE 3.43Å; D190-K193 IonicContact OD1-NZ 2.76Å; D190-K193 PolarHBondContact OD1-NZ 2.8Å
191L61.2Low55.8Low105 Ų105126.6 Ų126.655%0.5568%0.683SS.*THydrogen-bonded Turntrans-57.3-24.1170-76.1169.4000112.9I186 A188 K193I186-L191 HydrophobicContact CG2-CD2 4.31Å; I186-L191 HydrophobicContact CG2-CG 4.21Å; A188-L191 HydrophobicContact CB-CD1 4.34Å; L191-K193 VanDerWaalsContact C-N 3.34Å
192K64.1Low55.8Low187 Ų187130.5 Ų130.581%0.81369%0.691SS**THydrogen-bonded Turntrans-80.8-12.7179.1-62-178.8-177.8177.10113.6D190D190-K192 PolarHBondContact O-N 3.4Å; D190-K192 VanDerWaalsContact O-N 3.09Å
193K62.2Low55.5Low157 Ų157134.4 Ų134.468%0.68369%0.692SS**SBendtrans-98.1-7.9-176.2-61.9177.2-173.3159.80113.4D190 L191D190-K193 PolarHBondContact O-N 3.03Å; D190-K193 WeakPolarHBondContact OD1-CE 3.43Å; D190-K193 IonicContact OD1-NZ 2.76Å; D190-K193 PolarHBondContact OD1-NZ 2.8Å; L191-K193 VanDerWaalsContact C-N 3.34Å
194L55.6Low55.4Low103 Ų103135.8 Ų135.854%0.53970%0.699SS.*SBendtrans-70.8128.1172.4-67.6173.5000109I186 R196I186-L194 HydrophobicContact CD1-CD1 4.44Å; L194-R196 PolarHBondContact O-N 2.91Å
195P57.4Low55Low118 Ų118135.7 Ų135.777%0.76670%0.704SS**  trans-62.1102.217324-29.7000107.7P197P195-P197 VanDerWaalsContact O-CD 3.25Å; P195-P197 WeakPolarHBondContact O-CD 3.16Å; P195-P197 VanDerWaalsContact O-N 3.15Å
196R55.3Low54.7Low232 Ų232131.6 Ų131.688%0.87571%0.709SS**  trans-55.7121.1168.6-91-171.4-173.2-1480.8106.9L194 S198L194-R196 PolarHBondContact O-N 2.91Å; R196-S198 PolarHBondContact O-N 3.38Å
197P55Low53.8Low117 Ų117131 Ų13176%0.7673%0.725SS**  trans-58112.3161.223.7-29.2000106.3P195 L199P195-P197 VanDerWaalsContact O-CD 3.25Å; P195-P197 WeakPolarHBondContact O-CD 3.16Å; P195-P197 VanDerWaalsContact O-N 3.15Å; P197-L199 PolarHBondContact O-N 3.33Å
198S45.7Very low53.8Low94 Ų94138.8 Ų138.866%0.65775%0.745SS**  trans-5996.2-179166.70000108.9R196 R200R196-S198 PolarHBondContact O-N 3.38Å; S198-R200 PolarHBondContact O-N 3.13Å; S198-R200 WeakPolarHBondContact OG-CB 3.26Å
199L52.3Low53.3Low176 Ų176143.1 Ų143.192%0.92176%0.757SS**  trans-66.476.4161.9-73.2169.2000107.9P197P197-L199 PolarHBondContact O-N 3.33Å
200R43.7Very low52.9Low222 Ų222146.3 Ų146.384%0.83876%0.763SS**  trans-103.884.7175.2-163.1-179-161.5-173.95.6107.1S198S198-R200 PolarHBondContact O-N 3.13Å; S198-R200 WeakPolarHBondContact OG-CB 3.26Å
201T50.1Low52.6Low120 Ų120153.5 Ų153.574%0.73679%0.792SS**  trans-131.5101161.839.10000109.5
202Q51.3Low52Low175 Ų175152.2 Ų152.282%0.81880%0.804SS**  trans7188.7144.2-49.6-165.117.500119.2
203K44.1Very low51.5Low208 Ų208152.9 Ų152.990%0.90481%0.812SS**  38.188.8118.7-162.4173.5-1771800116.5
204L49.9Very low50.9Low172 Ų172148.6 Ų148.690%0.90181%0.813SS**  trans-133.1119.4153.1-72.7174.5000109.1
205G44.9Very low50.8Low67 Ų67151.2 Ų151.269%0.69182%0.822SS**  trans-71.2160.5167.600000111.6
206C44.8Very low50.4Low143 Ų143155.7 Ų155.797%0.96682%0.824SS**  trans36.397153.2-56.60000117
207G45.5Very low50.3Low77 Ų77150.6 Ų150.679%0.79482%0.823SS**  trans-154.2104.7171.200000112.7
208R54.1Low50Low234 Ų234157.1 Ų157.188%0.88383%0.833SS**  trans-41.5142.6179.3-84.5167.6166.8144.3-3.4115.8I210R208-I210 HydrophobicContact CB-CG1 4.48Å
209N51Low50.5Low169 Ų169158 Ų15890%0.90484%0.839SS**  trans-64.8130.6157.6-67.8-39.1000110.6
210I61.2Low50.5Low139 Ų139156.1 Ų156.171%0.71384%0.838SS**  trans-121.5-3.2-179.3-55.7176.8000113.1R208R208-I210 HydrophobicContact CB-CG1 4.48Å
211F55.4Low51Low208 Ų208150.9 Ų150.991%0.91284%0.835SS**  trans-125.196.7-177.9-71.8-84.5000112.6
212G49.3Very low51.1Low78 Ų78150.3 Ų150.380%0.80483%0.833SS**  trans178.254.6175.700000113
213M53.6Low51.1Low201 Ų201149.5 Ų149.599%0.9983%0.834SS**  trans-65.8131.5164.8-93.6-146.5163.600110.3
214G49.8Very low51.8Low67 Ų67146.4 Ų146.469%0.69183%0.826SS**  trans113.3127141.600000116.6
215Q53Low52Low159 Ų159146.5 Ų146.574%0.74382%0.819SS**  trans88.983.1159.1-54.2-69.1-37.100117.1
216R48.2Very low52.5Low212 Ų212151.6 Ų151.680%0.883%0.831SS**  48.4104.6116.2-60.5176.1-173.7-112.7-2.5116.5
217S53.4Low53Low124 Ų124149.6 Ų149.687%0.86782%0.819SS**  -164.5114.6123.9-82.70000109.6
218R49.8Very low53.4Low255 Ų255158 Ų15896%0.96283%0.827SS**  trans-70.8124.6172.7-66.2175.8173.4-163.2-3.3107.8
219S55.3Low53.6Low113 Ų113150.5 Ų150.579%0.7982%0.822SS**  trans-118.5124.8152.341.50000107.6
220P51.8Low53.9Low136 Ų136149.3 Ų149.388%0.88382%0.815SS**  trans-74.7140.4-176.6-12.728.3000111.9
221S54.1Low53.6Low112 Ų112153.3 Ų153.378%0.78382%0.823SS**  trans-146.2155.7171.1-154.20000107.5
222P53.1Low53.8Low108 Ų108149 Ų14970%0.70182%0.816SS**  -110162.4-73.731.1-18.6000111.7I224P222-I224 PolarHBondContact O-N 3.24Å
223D50.1Low54.4Low157 Ų157155.4 Ų155.484%0.8482%0.822SS**  trans-36118.1169.2-158.42.2000114.3
224I59.4Low54.8Low143 Ų143154.6 Ų154.673%0.73382%0.815SS**  trans-161.1111.2159.7-91.9136.3000109.3P222P222-I224 PolarHBondContact O-N 3.24Å
225K54.5Low55.4Low174 Ų174160.3 Ų160.376%0.75782%0.824SS**  trans56.1101.6145.6-62178.9178.31790118.5
226D54.7Low55.9Low175 Ų175162.7 Ų162.794%0.93683%0.826SS**  trans-136.299.8134-93.3-38.7000109.8
227S55.1Low56.4Low101 Ų101160.7 Ų160.771%0.70683%0.825SS**  trans-90.3118.8164.2-56.30000107.9
228R55.7Low56.7Low254 Ų254166.1 Ų166.196%0.95883%0.827SS**  trans152.7120.7143.2-87.5170.7-128.9-163.4-0.3109.9
229G56.5Low57.3Low76 Ų76162.7 Ų162.778%0.78482%0.819SS**  trans145.469.316000000114.1
230D57.3Low57.6Low144 Ų144164.9 Ų164.977%0.7782%0.821SS**  trans-48.6137.8152.8-85.4-63.6000110.8
231Y55.2Low58.1Low223 Ų223171.9 Ų171.988%0.87584%0.838SS**  165.7124.5122.7-84.2-65.2000109.4
232P59.1Low58.3Low117 Ų117174.9 Ų174.976%0.7684%0.84SS**  trans-88.3140.7175.834.5-29.3000110.2
233K62.2Low58.6Low213 Ų213178.4 Ų178.493%0.92685%0.848SS**  trans-130.7115.2161-108.5179.2-178.4176.20110.5
234E62.1Low59.1Low183 Ų183179.6 Ų179.686%0.85585%0.848SS**  trans-53.5137.2173.3-57.2174.2136.500112
235H62.2Low59Low188 Ų188181.8 Ų181.887%0.8786%0.855SS**  trans-145.292.3144.3-154.465.9000109.1
236R63.1Low59.3Low209 Ų209182.3 Ų182.379%0.78986%0.861SS**  trans-68.4161.7166.6-98.5174.4173.3173.9-0.4110.2
237Q60.5Low59.6Low169 Ų169182.7 Ų182.779%0.7986%0.856SS**  trans8988.2167.2-51.4-63.9-1500116.5
238R58.7Low60Low239 Ų239188.6 Ų188.690%0.90287%0.867SS**  trans-137.6147.5140.4-81.4-171.1-179.7160.30.6109.1
239K61.7Low60.3Low183 Ų183183.5 Ų183.580%0.79686%0.86SS**  trans101.7100.2165-55.1-146.3174.7-1710113.4
240L62.5Low60.6Low158 Ų158192.5 Ų192.583%0.82787%0.866SS**  8085.986.5-82.7152.6000111.3
241K62.8Low60.9Low284 Ų284196.9 Ų196.9100%1.23588%0.875SS**  -171.40121.1-118.7171.3175.8175.60109.6

Retrieved 241 of 241 residues in 177.4 ms (Link to these results)