A0A5K4EBR1_SCHMA Loading...

Troponin I (TnI), putative AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EBR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 766 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
1M44.1Very low46.2Very low226 Ų226143.3 Ų143.3100%1.11379%0.794SS**  097.30-67.7155.3178.500105
2E38.8Very low46.7Very low176 Ų176145.3 Ų145.382%0.82280%0.802SS**  83.5138.795.3-73.9-174.1177.500111.9
3L43.1Very low46.4Very low131 Ų131145.5 Ų145.569%0.68679%0.794SS**  cis-160.3138.4-15.2-116.4168.7000109.3
4N45.4Very low46.4Very low135 Ų135148.9 Ų148.972%0.72280%0.801SS**  trans18.5125.5153.4-58.5-11.5000121.8V6N4-V6 HydrophobicContact CB-CG2 4.26Å
5G57.7Low46.5Very low87 Ų87147.1 Ų147.190%0.89780%0.797SS**  trans-104.8120.1147.900000110.5
6V46.7Very low46.8Very low102 Ų102145.2 Ų145.262%0.61880%0.795SS**  trans-109.1135.5-176.6179.50000110.5N4N4-V6 HydrophobicContact CB-CG2 4.26Å
7H53.6Low47Very low194 Ų194146.9 Ų146.990%0.89880%0.803SS**  trans-146.1126.5148.3-117.163.3000111.7
8S43.7Very low46.7Very low88 Ų88142.8 Ų142.862%0.61580%0.8SS**  trans-115.9140.2-175.2-47.80000109.6
9Q51.8Low46.4Very low195 Ų195141.1 Ų141.191%0.91180%0.798SS**  trans-142.7103.8147.3-73.4-159-700111.1
10S41.9Very low46.3Very low103 Ų103142.1 Ų142.172%0.7280%0.801SS**  trans-69.7173.7149.852.70000109.8
11L41.5Very low46.1Very low139 Ų139139.7 Ų139.773%0.72879%0.793SS**  cis-166.7153.7-0.5-123.1161.8000104.6
12D51.9Low46.2Very low167 Ų167134.7 Ų134.789%0.89378%0.776SS**  -178.3155.4123.8-102.7-18.3000113.6
13E42.8Very low46.3Very low149 Ų149130.5 Ų130.570%0.69678%0.779SS**  trans-129.9131.8-159.7177.1-175.3-178.900110.6
14Q46.6Very low46.6Very low192 Ų192129.9 Ų129.990%0.89779%0.786SS**  trans-162.197.9155.6-117.1158.198.100114.9
15V47.4Very low46.5Very low122 Ų122126.8 Ų126.874%0.73979%0.786SS**  trans25.4134.7134-171.40000119.7
16P51.8Low45.7Very low117 Ų117129 Ų12976%0.7679%0.787SS**  trans-95.6159.2-167.738.6-36.9000115.6
17N50.3Low45.7Very low175 Ų175128.5 Ų128.594%0.93679%0.794SS**  trans-122.8140.9156.2-86.4-54.8000108.9
18G41.3Very low45.2Very low73 Ų73125.9 Ų125.975%0.75379%0.792SS**  trans-124.7-163.5-169.100000115.5
19S42.2Very low45.3Very low109 Ų109130.3 Ų130.376%0.76280%0.803SS**  trans87.2140.7169.4-1480000117.5
20L44.3Very low44.8Very low161 Ų161128 Ų12884%0.84380%0.797SS**  trans69.4142.5172-49.6176.1000116.2
21S41.8Very low45.3Very low93 Ų93129.3 Ų129.365%0.6580%0.803SS**  cis-165.4168.7-24.8-163.40000108.6
22T45.2Very low45.4Very low121 Ų121130.7 Ų130.774%0.74281%0.806SS**  trans53.5101.9163.652.50000118.1S24T22-S24 PolarHBondContact O-N 2.76Å
23G41.9Very low45.2Very low87 Ų87129.4 Ų129.490%0.89780%0.798SS**  trans-69.4119.3146.800000109.6G25G23-G25 PolarHBondContact O-N 3.04Å
24S48.6Very low45.5Very low118 Ų118129 Ų12983%0.82581%0.806SS**  trans-85.3108.1178350000110.8T22T22-S24 PolarHBondContact O-N 2.76Å
25G43.8Very low45.6Very low70 Ų70130.1 Ų130.172%0.72280%0.802SS**  trans-68.5150.9167.700000111.5G23 A27G23-G25 PolarHBondContact O-N 3.04Å; G25-A27 PolarHBondContact O-N 3.41Å
26S41.7Very low46.1Very low133 Ų133130.4 Ų130.493%0.9381%0.806SS**  trans-63.4125.5176.741.90000112.1
27A46.5Very low45.7Very low92 Ų92131.2 Ų131.276%0.7681%0.805SS**  trans-133.1121.9165.500000108.8G25 Q29G25-A27 PolarHBondContact O-N 3.41Å; A27-Q29 PolarHBondContact O-N 3.17Å
28T41.5Very low45.6Very low140 Ų140128 Ų12886%0.85980%0.796SS**  trans-65.1121.6176.3-36.20000110
29Q47Very low45.9Very low180 Ų180129 Ų12984%0.84180%0.797SS**  trans-140.6143160.8-75-164.2-22.100110.3A27A27-Q29 PolarHBondContact O-N 3.17Å
30D41.7Very low46Very low148 Ų148131.8 Ų131.879%0.79180%0.803SS**  trans-76.2147.2-166.5-50.6-86.5000113.7
31P51.3Low46.2Very low130 Ų130129.8 Ų129.884%0.84480%0.803SS**  trans-95.886.5169.435.4-29.9000111.3
32E43.6Very low46.6Very low167 Ų167130.4 Ų130.478%0.7881%0.807SS**  trans-96.1114.2163.5-88.5-153.2139.900112.5
33L47.5Very low46.8Very low141 Ų141133.8 Ų133.874%0.73881%0.814SS**  trans55.6100.3135.5-59169.7000118.7
34T49.7Very low47Very low140 Ų140138.3 Ų138.386%0.85981%0.812SS**  trans-135.6114.8141.6-64.90000109.7
35R47.5Very low47Very low216 Ų216142 Ų14282%0.81582%0.816SS**  trans-74.6144.9172.8-75.1173.8162179.8-6.5110.6
36P58.2Low47.3Very low127 Ų127147.5 Ų147.583%0.82582%0.823SS**  trans-101.2141.8141.734-26.9000109.9
37N44.4Very low47.7Very low135 Ų135145.4 Ų145.472%0.72281%0.814SS**  trans-139.4138174.5-146.220.3000109.4
38S47.4Very low47.8Very low107 Ų107146.1 Ų146.175%0.74881%0.811SS**  trans53.6105.6160.955.30000120.5
39A48.8Very low48.1Very low95 Ų95144 Ų14479%0.78580%0.802SS**  trans166.295.4130.100000107.6
40D43.9Very low48.2Very low166 Ų166142 Ų14289%0.88880%0.797SS**  56.681.986.6-164.822.3000113.6
41S47.6Very low48.5Very low119 Ų119143.7 Ų143.783%0.83280%0.799SS**  trans-157.3129.3152.6-164.70000110.4
42S49.9Very low48.5Very low106 Ų106141.9 Ų141.974%0.74179%0.79SS**  trans-85.5122.3-169550000113.9
43Q49.8Very low48.9Very low192 Ų192137.8 Ų137.890%0.89778%0.78SS**  trans-142.8135.9143.5-78.7-155.3-12.300111.1Q45Q43-Q45 PolarHBondContact O-N 2.76Å
44H45.4Very low49.2Very low182 Ų182134.7 Ų134.784%0.84377%0.77SS**  trans-70.1123-179.3-74.8-5000112.2
45Q49.3Very low49.7Very low196 Ų196131.7 Ų131.792%0.91676%0.76SS**  trans-131.1131.5143.2-68.5-162.929.800109.1Q43 A47Q43-Q45 PolarHBondContact O-N 2.76Å; Q45-A47 PolarHBondContact O-N 3.46Å
46Q49.5Very low50.4Low185 Ų185126.4 Ų126.486%0.86476%0.755SS**  trans-81.1117.2-166.1-65.2171.7-6.700110.8
47A50.1Low51Low89 Ų89121.7 Ų121.774%0.73672%0.723SS**  trans-75.1126.7162.900000109Q45 S49Q45-A47 PolarHBondContact O-N 3.46Å; A47-S49 PolarHBondContact O-N 3.14Å
48P49.2Very low52.8Low108 Ų108119 Ų11970%0.70172%0.715SS**  trans-72.297.5176.428.8-33000109.5N50P48-N50 VanDerWaalsContact C-N 3.34Å; P48-N50 PolarHBondContact O-N 2.94Å
49S48Very low54.7Low96 Ų96119.9 Ų119.967%0.67171%0.71SS**  trans-66.690.4173.856.90000110.2A47 H51A47-S49 PolarHBondContact O-N 3.14Å; S49-H51 PolarHBondContact O-N 3.41Å
50N48.4Very low56.6Low138 Ų138119.4 Ų119.474%0.73869%0.692SS**  trans-71.352.2175-80.7-32000112.2P48P48-N50 VanDerWaalsContact C-N 3.34Å; P48-N50 PolarHBondContact O-N 2.94Å
51H48.9Very low58.9Low182 Ų182114.5 Ų114.584%0.84366%0.663SS**  trans-129.622.7-174.9-66-22.9000112.6S49S49-H51 PolarHBondContact O-N 3.41Å
52S50.8Low60.8Low93 Ų93115 Ų11565%0.6565%0.647SS**SBendtrans-153.244.1179.4-167.10000115.9
53S52.6Low62.9Low80 Ų80113.6 Ų113.656%0.55963%0.631SS**SBendtrans-124.92.7174.2570000115L57S53-L57 WeakPolarHBondContact O-CD2 3.3Å
54S54.7Low65Low77 Ų77111.4 Ų111.454%0.53861%0.614SS.*SBendtrans-94.5-16170.458.50000113.7R62S54-R62 PolarHBondContact O-NH2 3.35Å
55A59Low67.2Low77 Ų77108.9 Ų108.964%0.63660%0.597SS**SBendtrans-79.5-30.1-174.900000113.8
56S61.4Low69.3Low104 Ų104104 Ų10473%0.72758%0.58SS**SBendtrans-89.7-2.5179.650.90000114.4
57L71.5Confident71.5Confident28 Ų28100.6 Ų100.615%0.14756%0.56CS.*SBendtrans-72.9131.5179.6-50.9179.9000110.1S53 E61 R65S53-L57 WeakPolarHBondContact O-CD2 3.3Å; L57-E61 HydrophobicContact CB-CB 4.47Å; L57-R65 VanDerWaalsContact CD1-CZ 3.41Å
58S81.9Confident73.6Confident78 Ų7898.7 Ų98.755%0.54554%0.544SS..  trans-54.2146.6169.3178.30000110.4E60 E61 R62S58-E60 PolarHBondContact O-N 2.77Å; S58-E60 VanDerWaalsContact O-N 3.16Å; S58-E61 WeakPolarHBondContact O-CA 3.24Å; S58-E61 WeakPolarHBondContact O-CB 3.17Å; S58-E61 PolarHBondContact O-N 3.17Å; S58-R62 PolarHBondContact O-N 2.77Å
59I87.6Confident75.7Confident127 Ų12796.4 Ų96.465%0.65153%0.534SS*.Hα-helixtrans-52.1-40.7179.3-65.8171.1000110.5E61 R62 L63I59-E61 PolarHBondContact O-N 3.29Å; I59-R62 WeakPolarHBondContact O-CB 3.38Å; I59-R62 PolarHBondContact O-N 3.28Å; I59-L63 HydrophobicContact CG2-CD1 3.98Å; I59-L63 VanDerWaalsContact O-CD1 3.27Å; I59-L63 WeakPolarHBondContact O-CD1 3.39Å; I59-L63 PolarHBondContact O-N 3.14Å
60E90Very high78Confident85 Ų8597.1 Ų97.140%0.39753%0.527SS..Hα-helixtrans-64.8-36.5177.7-17850.2-142.700112.9S58 L63 R64 R67S58-E60 PolarHBondContact O-N 2.77Å; S58-E60 VanDerWaalsContact O-N 3.16Å; E60-L63 PolarHBondContact O-N 3.46Å; E60-R64 WeakPolarHBondContact O-CB 3.46Å; E60-R64 PolarHBondContact O-N 3.38Å; E60-R67 IonicContact OE1-CZ 2.96Å; E60-R67 IonicContact OE1-NH2 3.49Å; E60-R67 PolarHBondContact OE1-NH2 2.89Å
61E90.5Very high80.2Confident62 Ų6296.3 Ų96.329%0.2952%0.519SS..Hα-helixtrans-69.8-37.1176.2-160.5-164.8151.200111.3L57 S58 I59 R64 R65L57-E61 HydrophobicContact CB-CB 4.47Å; S58-E61 WeakPolarHBondContact O-CA 3.24Å; S58-E61 WeakPolarHBondContact O-CB 3.17Å; S58-E61 PolarHBondContact O-N 3.17Å; I59-E61 PolarHBondContact O-N 3.29Å; E61-R64 PolarHBondContact O-N 3.46Å; E61-R65 WeakPolarHBondContact O-CG 3.37Å; E61-R65 PolarHBondContact O-N 3.02Å; E61-R65 IonicContact OE1-CZ 3.23Å; E61-R65 VanDerWaalsContact OE1-CZ 3.25Å; E61-R65 IonicContact OE1-NE 3.41Å; E61-R65 PolarHBondContact OE1-NE 3.49Å; E61-R65 IonicContact OE1-NH2 2.69Å; E61-R65 PolarHBondContact OE1-NH2 3.35Å
62R89Confident82.5Confident129 Ų12992 Ų9249%0.48750%0.502SS..Hα-helixtrans-61-45.2172.7-168.6-179.6-62.4171.42.5111S54 S58 I59 R65 V66S54-R62 PolarHBondContact O-NH2 3.35Å; S58-R62 PolarHBondContact O-N 2.77Å; I59-R62 WeakPolarHBondContact O-CB 3.38Å; I59-R62 PolarHBondContact O-N 3.28Å; R62-R65 PolarHBondContact O-N 3.05Å; R62-V66 WeakPolarHBondContact O-CG2 3.3Å; R62-V66 PolarHBondContact O-N 2.83Å
63L92.8Very high84.6Confident78 Ų7893.2 Ų93.241%0.40850%0.495SS..Hα-helixtrans-62.4-41.9174.3-93.172.1000111.9I59 E60 R65 V66 R67I59-L63 HydrophobicContact CG2-CD1 3.98Å; I59-L63 VanDerWaalsContact O-CD1 3.27Å; I59-L63 WeakPolarHBondContact O-CD1 3.39Å; I59-L63 PolarHBondContact O-N 3.14Å; E60-L63 PolarHBondContact O-N 3.46Å; L63-R65 PolarHBondContact O-N 2.64Å; L63-V66 PolarHBondContact O-N 2.96Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 2.86Å
64R93.7Very high86.6Confident145 Ų14594.7 Ų94.755%0.54749%0.493SS..Hα-helixtrans-60.6-44.2175.7-168.6-177.6-60140.24.2112E60 E61 R67 A68E60-R64 WeakPolarHBondContact O-CB 3.46Å; E60-R64 PolarHBondContact O-N 3.38Å; E61-R64 PolarHBondContact O-N 3.46Å; R64-R67 PolarHBondContact O-N 3.4Å; R64-A68 WeakPolarHBondContact O-CB 3.31Å; R64-A68 PolarHBondContact O-N 2.86Å
65R92.5Very high88.6Confident130 Ų13097.3 Ų97.349%0.49150%0.497SS..Hα-helixtrans-65.4-37.6175.8-69.5-177.5-170.5-158.76.5112.3L57 E61 R62 L63 A69L57-R65 VanDerWaalsContact CD1-CZ 3.41Å; E61-R65 WeakPolarHBondContact O-CG 3.37Å; E61-R65 PolarHBondContact O-N 3.02Å; E61-R65 IonicContact OE1-CZ 3.23Å; E61-R65 VanDerWaalsContact OE1-CZ 3.25Å; E61-R65 IonicContact OE1-NE 3.41Å; E61-R65 PolarHBondContact OE1-NE 3.49Å; E61-R65 IonicContact OE1-NH2 2.69Å; E61-R65 PolarHBondContact OE1-NH2 3.35Å; R62-R65 PolarHBondContact O-N 3.05Å; L63-R65 PolarHBondContact O-N 2.64Å; R65-A69 VanDerWaalsContact O-CB 3.26Å; R65-A69 WeakPolarHBondContact O-CB 3.26Å; R65-A69 PolarHBondContact O-N 2.81Å
66V93.7Very high90.3Very high92 Ų9299.5 Ų99.556%0.55849%0.494SS*.Hα-helixtrans-64.2-48.1173.8170.60000111.1R62 L63 A68 A69 E70R62-V66 WeakPolarHBondContact O-CG2 3.3Å; R62-V66 PolarHBondContact O-N 2.83Å; L63-V66 PolarHBondContact O-N 2.96Å; V66-A68 PolarHBondContact O-N 3.39Å; V66-A69 PolarHBondContact O-N 2.84Å; V66-E70 WeakPolarHBondContact O-CB 3.48Å; V66-E70 PolarHBondContact O-N 3.05Å
67R94.6Very high91.9Very high114 Ų114102.8 Ų102.843%0.4349%0.491SS..Hα-helixtrans-60.6-42.4176.2-69.9-175.1-64.4-115.51112.1E60 L63 R64 E70 Q71E60-R67 IonicContact OE1-CZ 2.96Å; E60-R67 IonicContact OE1-NH2 3.49Å; E60-R67 PolarHBondContact OE1-NH2 2.89Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 2.86Å; R64-R67 PolarHBondContact O-N 3.4Å; R67-E70 PolarHBondContact O-N 3.26Å; R67-Q71 WeakPolarHBondContact O-CG 3.2Å; R67-Q71 PolarHBondContact O-N 2.82Å
68A94.4Very high93.1Very high50 Ų50109.3 Ų109.341%0.41351%0.514SS..Hα-helixtrans-66.5-40.7176.800000112.8R64 V66 E70 Q71 L72R64-A68 WeakPolarHBondContact O-CB 3.31Å; R64-A68 PolarHBondContact O-N 2.86Å; V66-A68 PolarHBondContact O-N 3.39Å; A68-E70 VanDerWaalsContact C-N 3.33Å; A68-Q71 PolarHBondContact O-N 3.09Å; A68-L72 WeakPolarHBondContact O-CB 3.31Å; A68-L72 PolarHBondContact O-N 3.08Å
69A94.8Very high93.7Very high60 Ų60108.3 Ų108.350%0.49651%0.511SS..Hα-helixtrans-66.7-34.5174.800000112.2R65 V66 K73R65-A69 VanDerWaalsContact O-CB 3.26Å; R65-A69 WeakPolarHBondContact O-CB 3.26Å; R65-A69 PolarHBondContact O-N 2.81Å; V66-A69 PolarHBondContact O-N 2.84Å; A69-K73 VanDerWaalsContact O-CB 3.31Å; A69-K73 WeakPolarHBondContact O-CB 3.33Å; A69-K73 PolarHBondContact O-N 3.23Å
70E94.3Very high94.1Very high111 Ų111104.9 Ų104.952%0.51950%0.501SS..Hα-helixtrans-67.6-45.1172.7-175.4169.5-164.300111.9V66 R67 A68 L72 K73 Q74V66-E70 WeakPolarHBondContact O-CB 3.48Å; V66-E70 PolarHBondContact O-N 3.05Å; R67-E70 PolarHBondContact O-N 3.26Å; A68-E70 VanDerWaalsContact C-N 3.33Å; E70-L72 PolarHBondContact O-N 3.46Å; E70-K73 CarbonylContact O-C 3.59Å; E70-K73 WeakPolarHBondContact O-CB 3.26Å; E70-K73 PolarHBondContact O-N 2.86Å; E70-K73 VanDerWaalsContact O-N 3.17Å; E70-Q74 WeakPolarHBondContact O-CG 3.5Å; E70-Q74 PolarHBondContact O-N 2.97Å
71Q95.9Very high94.4Very high120 Ų120107.5 Ų107.556%0.56151%0.508SS*.Hα-helixtrans-58.8-45.4173.5-75.6176-22.300112R67 A68 K73 Q74 Q75R67-Q71 WeakPolarHBondContact O-CG 3.2Å; R67-Q71 PolarHBondContact O-N 2.82Å; A68-Q71 PolarHBondContact O-N 3.09Å; Q71-K73 VanDerWaalsContact C-N 3.31Å; Q71-K73 PolarHBondContact O-N 3.43Å; Q71-Q74 WeakPolarHBondContact O-CB 3.39Å; Q71-Q74 PolarHBondContact O-N 2.82Å; Q71-Q75 WeakPolarHBondContact O-CG 3.37Å; Q71-Q75 PolarHBondContact O-N 3.4Å
72L96.3Very high94.6Very high92 Ų92107 Ų10748%0.48251%0.51SS..Hα-helixtrans-60.7-40.2174.9-178.663.1000111.8A68 E70 Q75 Q76A68-L72 WeakPolarHBondContact O-CB 3.31Å; A68-L72 PolarHBondContact O-N 3.08Å; E70-L72 PolarHBondContact O-N 3.46Å; L72-Q75 PolarHBondContact O-N 3.39Å; L72-Q76 WeakPolarHBondContact O-CG 3.35Å; L72-Q76 PolarHBondContact O-N 2.85Å
73K95Very high94.7Very high119 Ų119106 Ų10652%0.51751%0.51SS..Hα-helixtrans-68.4-32.9176.1-172.1175.6-176.5175.60112.7A69 E70 Q71 R77A69-K73 VanDerWaalsContact O-CB 3.31Å; A69-K73 WeakPolarHBondContact O-CB 3.33Å; A69-K73 PolarHBondContact O-N 3.23Å; E70-K73 CarbonylContact O-C 3.59Å; E70-K73 WeakPolarHBondContact O-CB 3.26Å; E70-K73 PolarHBondContact O-N 2.86Å; E70-K73 VanDerWaalsContact O-N 3.17Å; Q71-K73 VanDerWaalsContact C-N 3.31Å; Q71-K73 PolarHBondContact O-N 3.43Å; K73-R77 WeakPolarHBondContact O-CB 3.41Å; K73-R77 WeakPolarHBondContact O-CG 3.41Å; K73-R77 PolarHBondContact O-N 3.4Å
74Q95.8Very high94.7Very high110 Ų110104.7 Ų104.751%0.51451%0.511SS..Hα-helixtrans-67.2-44.7171.4-71.31744.700110.8E70 Q71 R77 Y78E70-Q74 WeakPolarHBondContact O-CG 3.5Å; E70-Q74 PolarHBondContact O-N 2.97Å; Q71-Q74 WeakPolarHBondContact O-CB 3.39Å; Q71-Q74 PolarHBondContact O-N 2.82Å; Q74-R77 PolarHBondContact O-N 3.12Å; Q74-Y78 PolarHBondContact O-N 3.47Å
75Q95.5Very high94.7Very high133 Ų133101.4 Ų101.462%0.62150%0.502SS*.Hα-helixtrans-60-45173.8-71.6176.9-400112.1Q71 L72 R77 Y78 A79Q71-Q75 WeakPolarHBondContact O-CG 3.37Å; Q71-Q75 PolarHBondContact O-N 3.4Å; L72-Q75 PolarHBondContact O-N 3.39Å; Q75-R77 PolarHBondContact O-N 3.29Å; Q75-Y78 PolarHBondContact O-N 2.99Å; Q75-A79 WeakPolarHBondContact O-CB 3.35Å; Q75-A79 PolarHBondContact O-N 3.34Å
76Q96.2Very high94.7Very high122 Ų122100.2 Ų100.257%0.5750%0.502SS*.Hα-helixtrans-61.7-40.1175.4-75.5177.7-6.600112.7L72 A79 A80L72-Q76 WeakPolarHBondContact O-CG 3.35Å; L72-Q76 PolarHBondContact O-N 2.85Å; Q76-A79 PolarHBondContact O-N 3.13Å; Q76-A80 VanDerWaalsContact O-CB 3.3Å; Q76-A80 WeakPolarHBondContact O-CB 3.32Å; Q76-A80 PolarHBondContact O-N 2.93Å
77R93.4Very high94.6Very high174 Ų174100.8 Ų100.866%0.65750%0.498SS*.Hα-helixtrans-63.6-40.7174-79.6173.7166.8-174.1-5.7112.3K73 Q74 Q75 Y81K73-R77 WeakPolarHBondContact O-CB 3.41Å; K73-R77 WeakPolarHBondContact O-CG 3.41Å; K73-R77 PolarHBondContact O-N 3.4Å; Q74-R77 PolarHBondContact O-N 3.12Å; Q75-R77 PolarHBondContact O-N 3.29Å; R77-Y81 WeakPolarHBondContact O-CB 3.37Å; R77-Y81 PolarHBondContact O-N 2.82Å
78Y96.9Very high94.5Very high165 Ų16597.3 Ų97.365%0.64749%0.494SS*.Hα-helixtrans-66.5-46.3176.5-178.7-103.4000111.7Q74 Q75 A80 Y81 V82Q74-Y78 PolarHBondContact O-N 3.47Å; Q75-Y78 PolarHBondContact O-N 2.99Å; Y78-A80 PolarHBondContact O-N 3.13Å; Y78-Y81 WeakPolarHBondContact O-CB 2.99Å; Y78-Y81 PolarHBondContact O-N 3.09Å; Y78-V82 HydrophobicContact CD1-CG2 4.48Å; Y78-V82 HydrophobicContact CE1-CG2 4.07Å; Y78-V82 HydrophobicContact CE2-CG2 4.3Å; Y78-V82 WeakPolarHBondContact O-CG2 3.48Å; Y78-V82 PolarHBondContact O-N 3.02Å
79A94.6Very high94.4Very high57 Ų5799.8 Ų99.847%0.47150%0.497SS..Hα-helixtrans-59-48.1175.900000111.9Q75 Q76 Y81 V82 E83Q75-A79 WeakPolarHBondContact O-CB 3.35Å; Q75-A79 PolarHBondContact O-N 3.34Å; Q76-A79 PolarHBondContact O-N 3.13Å; A79-Y81 VanDerWaalsContact C-N 3.29Å; A79-Y81 PolarHBondContact O-N 3Å; A79-V82 PolarHBondContact O-N 3.22Å; A79-E83 WeakPolarHBondContact O-CB 3.41Å; A79-E83 PolarHBondContact O-N 3.37Å
80A95.6Very high94Very high54 Ų54101.5 Ų101.545%0.44650%0.496SS..Hα-helixtrans-64.2-31.817700000113Q76 Y78 A84Q76-A80 VanDerWaalsContact O-CB 3.3Å; Q76-A80 WeakPolarHBondContact O-CB 3.32Å; Q76-A80 PolarHBondContact O-N 2.93Å; Y78-A80 PolarHBondContact O-N 3.13Å; A80-A84 WeakPolarHBondContact O-CB 3.39Å; A80-A84 PolarHBondContact O-N 3.02Å
81Y96.2Very high93.7Very high140 Ų14098.3 Ų98.355%0.54949%0.488SS..Hα-helixtrans-67.4-46173.3174-100000111.8R77 Y78 A79 A84 Q85R77-Y81 WeakPolarHBondContact O-CB 3.37Å; R77-Y81 PolarHBondContact O-N 2.82Å; Y78-Y81 WeakPolarHBondContact O-CB 2.99Å; Y78-Y81 PolarHBondContact O-N 3.09Å; A79-Y81 VanDerWaalsContact C-N 3.29Å; A79-Y81 PolarHBondContact O-N 3Å; Y81-A84 PolarHBondContact O-N 3.37Å; Y81-Q85 HydrophobicContact CE1-CG 4.22Å; Y81-Q85 HydrophobicContact CE2-CG 4.38Å; Y81-Q85 WeakPolarHBondContact O-CG 3.25Å; Y81-Q85 PolarHBondContact O-N 3.12Å; Y81-Q85 PolarHBondContact OH-NE2 3.19Å
82V94.7Very high93.4Very high53 Ų5399 Ų9932%0.32149%0.486SS..Hα-helixtrans-63.6-43.4176.8174.60000111Y78 A79 Q85 Q86Y78-V82 HydrophobicContact CD1-CG2 4.48Å; Y78-V82 HydrophobicContact CE1-CG2 4.07Å; Y78-V82 HydrophobicContact CE2-CG2 4.3Å; Y78-V82 WeakPolarHBondContact O-CG2 3.48Å; Y78-V82 PolarHBondContact O-N 3.02Å; A79-V82 PolarHBondContact O-N 3.22Å; V82-Q85 PolarHBondContact O-N 3.36Å; V82-Q86 WeakPolarHBondContact O-CG 3.4Å; V82-Q86 PolarHBondContact O-N 3.3Å
83E91.2Very high92.8Very high106 Ų106100.5 Ų100.550%0.49549%0.492SS..Hα-helixtrans-62.1-44175.5-165.6-167.1153.300111.7A79 Q85 Q86 Q87A79-E83 WeakPolarHBondContact O-CB 3.41Å; A79-E83 PolarHBondContact O-N 3.37Å; E83-Q85 VanDerWaalsContact C-N 3.3Å; E83-Q85 PolarHBondContact O-N 2.95Å; E83-Q86 PolarHBondContact O-N 2.65Å; E83-Q87 WeakPolarHBondContact O-CG 3.48Å; E83-Q87 PolarHBondContact O-N 2.9Å; E83-Q87 PolarHBondContact OE1-NE2 3.35Å
84A93.5Very high92.3Very high52 Ų52103 Ų10343%0.4350%0.498SS..Hα-helixtrans-62.7-35177.300000112.8A80 Y81 A88A80-A84 WeakPolarHBondContact O-CB 3.39Å; A80-A84 PolarHBondContact O-N 3.02Å; Y81-A84 PolarHBondContact O-N 3.37Å; A84-A88 WeakPolarHBondContact O-CB 3.5Å; A84-A88 PolarHBondContact O-N 2.93Å
85Q93Very high92.2Very high75 Ų75102.8 Ų102.835%0.3550%0.497SS..Hα-helixtrans-65.2-46.9172.4-69-66.8-9.600111.3Y81 V82 E83 Q87 A88 E89Y81-Q85 HydrophobicContact CE1-CG 4.22Å; Y81-Q85 HydrophobicContact CE2-CG 4.38Å; Y81-Q85 WeakPolarHBondContact O-CG 3.25Å; Y81-Q85 PolarHBondContact O-N 3.12Å; Y81-Q85 PolarHBondContact OH-NE2 3.19Å; V82-Q85 PolarHBondContact O-N 3.36Å; E83-Q85 VanDerWaalsContact C-N 3.3Å; E83-Q85 PolarHBondContact O-N 2.95Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 2.68Å; Q85-A88 PolarHBondContact O-N 2.84Å; Q85-A88 VanDerWaalsContact O-N 3.13Å; Q85-E89 WeakPolarHBondContact O-CG 3.31Å; Q85-E89 PolarHBondContact O-N 2.88Å
86Q93.8Very high91.9Very high106 Ų106101.2 Ų101.250%0.49549%0.49SS..Hα-helixtrans-60.1-41.5175.2-68.8176.1-1.700112V82 E83 E89 M90V82-Q86 WeakPolarHBondContact O-CG 3.4Å; V82-Q86 PolarHBondContact O-N 3.3Å; E83-Q86 PolarHBondContact O-N 2.65Å; Q86-E89 PolarHBondContact O-N 3.46Å; Q86-M90 WeakPolarHBondContact O-CG 3.46Å; Q86-M90 PolarHBondContact O-N 3.4Å
87Q91.6Very high91.6Very high103 Ų103101.7 Ų101.748%0.48149%0.492SS..Hα-helixtrans-63.4-39.8174.4-70.1-175.717.600112E83 Q85 M90 A91E83-Q87 WeakPolarHBondContact O-CG 3.48Å; E83-Q87 PolarHBondContact O-N 2.9Å; E83-Q87 PolarHBondContact OE1-NE2 3.35Å; Q85-Q87 VanDerWaalsContact C-N 3.33Å; Q85-Q87 PolarHBondContact O-N 2.68Å; Q87-M90 HydrophobicContact CG-CE 4.23Å; Q87-M90 PolarHBondContact O-N 2.86Å; Q87-A91 VanDerWaalsContact O-CB 3.31Å; Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 2.86Å
88A92.8Very high91.3Very high41 Ų4198 Ų9834%0.33948%0.482SS..Hα-helixtrans-68.2-33.4175.600000112.8A84 Q85 R92A84-A88 WeakPolarHBondContact O-CB 3.5Å; A84-A88 PolarHBondContact O-N 2.93Å; Q85-A88 PolarHBondContact O-N 2.84Å; Q85-A88 VanDerWaalsContact O-N 3.13Å; A88-R92 WeakPolarHBondContact O-CB 3.29Å; A88-R92 WeakPolarHBondContact O-CG 3.47Å; A88-R92 PolarHBondContact O-N 3.26Å; A88-R92 PolarHBondContact O-NE 2.83Å
89E91.2Very high90.8Very high103 Ų10397.2 Ų97.248%0.48148%0.478SS..Hα-helixtrans-68.1-48.8171.5-73.7173.217700111.8Q85 Q86 A91 R92 M93Q85-E89 WeakPolarHBondContact O-CG 3.31Å; Q85-E89 PolarHBondContact O-N 2.88Å; Q86-E89 PolarHBondContact O-N 3.46Å; E89-A91 VanDerWaalsContact C-N 3.27Å; E89-A91 PolarHBondContact O-N 3.43Å; E89-R92 PolarHBondContact O-N 2.89Å; E89-R92 VanDerWaalsContact O-N 3.14Å; E89-R92 IonicContact OE1-NH2 2.69Å; E89-M93 WeakPolarHBondContact O-CG 3.25Å; E89-M93 PolarHBondContact O-N 2.87Å
90M85.9Confident90.6Very high96 Ų96101.7 Ų101.747%0.47349%0.487SS..Hα-helixtrans-58.2-38.3173.1-73.6-170.4-7400112.3Q86 Q87 M93 R94Q86-M90 WeakPolarHBondContact O-CG 3.46Å; Q86-M90 PolarHBondContact O-N 3.4Å; Q87-M90 HydrophobicContact CG-CE 4.23Å; Q87-M90 PolarHBondContact O-N 2.86Å; M90-M93 PolarHBondContact O-N 3.43Å; M90-R94 WeakPolarHBondContact O-CB 3.09Å; M90-R94 WeakPolarHBondContact O-CG 3.4Å; M90-R94 PolarHBondContact O-N 2.79Å
91A89.8Confident90.4Very high43 Ų43108 Ų10836%0.35550%0.499SS..Hα-helixtrans-66.5-41.9175.500000112.2Q87 E89 R94 Q95Q87-A91 VanDerWaalsContact O-CB 3.31Å; Q87-A91 WeakPolarHBondContact O-CB 3.42Å; Q87-A91 PolarHBondContact O-N 2.86Å; E89-A91 VanDerWaalsContact C-N 3.27Å; E89-A91 PolarHBondContact O-N 3.43Å; A91-R94 PolarHBondContact O-N 3.47Å; A91-Q95 WeakPolarHBondContact O-CG 3.41Å; A91-Q95 PolarHBondContact O-N 3.04Å
92R89.1Confident90.1Very high135 Ų135107.4 Ų107.451%0.50950%0.496SS..Hα-helixtrans-62-44.8173.3-76.9-179.2-74.5-176.91.4111.4A88 E89 Q95 Q96A88-R92 WeakPolarHBondContact O-CB 3.29Å; A88-R92 WeakPolarHBondContact O-CG 3.47Å; A88-R92 PolarHBondContact O-N 3.26Å; A88-R92 PolarHBondContact O-NE 2.83Å; E89-R92 PolarHBondContact O-N 2.89Å; E89-R92 VanDerWaalsContact O-N 3.14Å; E89-R92 IonicContact OE1-NH2 2.69Å; R92-Q95 PolarHBondContact O-N 2.91Å; R92-Q96 WeakPolarHBondContact O-CG 3.28Å; R92-Q96 PolarHBondContact O-N 2.94Å
93M82.2Confident89.8Confident123 Ų123110.7 Ų110.761%0.60651%0.51SS*.Hα-helixtrans-60.6-49.6176.1-74-61.2-69.500111.9E89 M90 Q95 Q96 E97E89-M93 WeakPolarHBondContact O-CG 3.25Å; E89-M93 PolarHBondContact O-N 2.87Å; M90-M93 PolarHBondContact O-N 3.43Å; M93-Q95 VanDerWaalsContact C-N 3.31Å; M93-Q95 PolarHBondContact O-N 3.31Å; M93-Q96 PolarHBondContact O-N 3.13Å; M93-Q96 VanDerWaalsContact O-N 3.09Å; M93-E97 WeakPolarHBondContact O-CB 3.3Å; M93-E97 PolarHBondContact O-N 2.92Å
94R86.2Confident89.8Confident173 Ų173109.4 Ų109.465%0.65350%0.504SS*.Hα-helixtrans-57.5-40.8175.7-76.4177.4-178.2156.73.2112.6M90 A91 E97 E98M90-R94 WeakPolarHBondContact O-CB 3.09Å; M90-R94 WeakPolarHBondContact O-CG 3.4Å; M90-R94 PolarHBondContact O-N 2.79Å; A91-R94 PolarHBondContact O-N 3.47Å; R94-E97 PolarHBondContact O-N 3.34Å; R94-E98 VanDerWaalsContact O-CB 3.26Å; R94-E98 WeakPolarHBondContact O-CB 3.39Å; R94-E98 PolarHBondContact O-N 3.48Å
95Q92.3Very high89.6Confident104 Ų104112.4 Ų112.449%0.48651%0.509SS..Hα-helixtrans-66.8-35.9176.3-74-1771400112.9A91 R92 M93 R99A91-Q95 WeakPolarHBondContact O-CG 3.41Å; A91-Q95 PolarHBondContact O-N 3.04Å; R92-Q95 PolarHBondContact O-N 2.91Å; M93-Q95 VanDerWaalsContact C-N 3.31Å; M93-Q95 PolarHBondContact O-N 3.31Å; Q95-R99 WeakPolarHBondContact O-CB 3.31Å; Q95-R99 WeakPolarHBondContact O-CD 3.44Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 3.2Å; Q95-R99 VanDerWaalsContact O-N 3.15Å
96Q90.1Very high89.3Confident101 Ų101114.1 Ų114.147%0.47252%0.519SS..Hα-helixtrans-69.6-44.1174.5-69.8-177.913.400111.5R92 M93 R99 K100R92-Q96 WeakPolarHBondContact O-CG 3.28Å; R92-Q96 PolarHBondContact O-N 2.94Å; M93-Q96 PolarHBondContact O-N 3.13Å; M93-Q96 VanDerWaalsContact O-N 3.09Å; Q96-R99 PolarHBondContact O-N 2.91Å; Q96-K100 WeakPolarHBondContact O-CG 3.46Å; Q96-K100 PolarHBondContact O-N 2.73Å
97E89.4Confident89.3Confident132 Ų132116.4 Ų116.462%0.61752%0.523SS*.Hα-helixtrans-60.6-47.1175.9-172.7-174.1-179.300111.5M93 R94 R99 K100 R101M93-E97 WeakPolarHBondContact O-CB 3.3Å; M93-E97 PolarHBondContact O-N 2.92Å; R94-E97 PolarHBondContact O-N 3.34Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 2.86Å; E97-K100 PolarHBondContact O-N 3.13Å; E97-K100 VanDerWaalsContact O-N 3.16Å; E97-R101 WeakPolarHBondContact O-CB 3.48Å; E97-R101 PolarHBondContact O-N 2.89Å
98E87.2Confident89.4Confident95 Ų95116.4 Ų116.444%0.44452%0.523SS..Hα-helixtrans-64.9-33.2178.7-159.2-161.3-16100112R94 R102R94-E98 VanDerWaalsContact O-CB 3.26Å; R94-E98 WeakPolarHBondContact O-CB 3.39Å; R94-E98 PolarHBondContact O-N 3.48Å; E98-R102 WeakPolarHBondContact O-CG 3.41Å; E98-R102 PolarHBondContact O-N 3.44Å; E98-R102 VanDerWaalsContact O-N 3.08Å; E98-R102 IonicContact OE1-CZ 2.61Å; E98-R102 IonicContact OE1-NH1 2.71Å; E98-R102 IonicContact OE1-NH2 3.41Å; E98-R102 PolarHBondContact OE1-NH2 3.37Å; E98-R102 IonicContact OE2-CZ 2.68Å; E98-R102 IonicContact OE2-NH1 3.22Å; E98-R102 PolarHBondContact OE2-NH1 2.61Å; E98-R102 IonicContact OE2-NH2 3.37Å; E98-R102 PolarHBondContact OE2-NH2 2.9Å
99R87.2Confident89.2Confident149 Ų149120.1 Ų120.156%0.56253%0.531SS*.Hα-helixtrans-66.6-47.5170.3-75.1169.8-175.5150.66.1111.7Q95 Q96 E97 R102 I103Q95-R99 WeakPolarHBondContact O-CB 3.31Å; Q95-R99 WeakPolarHBondContact O-CD 3.44Å; Q95-R99 WeakPolarHBondContact O-CG 3.48Å; Q95-R99 PolarHBondContact O-N 3.2Å; Q95-R99 VanDerWaalsContact O-N 3.15Å; Q96-R99 PolarHBondContact O-N 2.91Å; E97-R99 VanDerWaalsContact C-N 3.29Å; E97-R99 PolarHBondContact O-N 2.86Å; R99-R102 PolarHBondContact O-N 3.19Å; R99-I103 WeakPolarHBondContact O-CG1 3.3Å; R99-I103 PolarHBondContact O-N 3.08Å; R99-I103 VanDerWaalsContact O-N 3.1Å
100K90.4Very high89.2Confident151 Ų151118 Ų11866%0.65752%0.521SS*.Hα-helixtrans-58.3-47.7175.8-73.8178.9178.1-175.80111Q96 E97 R102 I103 E104Q96-K100 WeakPolarHBondContact O-CG 3.46Å; Q96-K100 PolarHBondContact O-N 2.73Å; E97-K100 PolarHBondContact O-N 3.13Å; E97-K100 VanDerWaalsContact O-N 3.16Å; K100-R102 PolarHBondContact O-N 3.29Å; K100-I103 PolarHBondContact O-N 3.31Å; K100-I103 VanDerWaalsContact O-N 3.15Å; K100-E104 PolarHBondContact O-N 3.31Å
101R89.8Confident89.4Confident186 Ų186117.6 Ų117.670%0.70252%0.518SS*.Hα-helixtrans-57.9-45.1177.6-174.4179.5176.8-170.10.1112.4E97 I103 E104 E105E97-R101 WeakPolarHBondContact O-CB 3.48Å; E97-R101 PolarHBondContact O-N 2.89Å; R101-I103 VanDerWaalsContact C-N 3.35Å; R101-I103 PolarHBondContact O-N 2.79Å; R101-E104 PolarHBondContact O-N 2.94Å; R101-E105 VanDerWaalsContact O-CB 3.31Å; R101-E105 WeakPolarHBondContact O-CB 3.27Å; R101-E105 PolarHBondContact O-N 3.19Å
102R90.3Very high89.4Confident128 Ų128121.6 Ų121.648%0.48353%0.532SS..Hα-helixtrans-63.5-37.7176-76-179.7-177.4109.62.4113E98 R99 K100 M106E98-R102 WeakPolarHBondContact O-CG 3.41Å; E98-R102 PolarHBondContact O-N 3.44Å; E98-R102 VanDerWaalsContact O-N 3.08Å; E98-R102 IonicContact OE1-CZ 2.61Å; E98-R102 IonicContact OE1-NH1 2.71Å; E98-R102 IonicContact OE1-NH2 3.41Å; E98-R102 PolarHBondContact OE1-NH2 3.37Å; E98-R102 IonicContact OE2-CZ 2.68Å; E98-R102 IonicContact OE2-NH1 3.22Å; E98-R102 PolarHBondContact OE2-NH1 2.61Å; E98-R102 IonicContact OE2-NH2 3.37Å; E98-R102 PolarHBondContact OE2-NH2 2.9Å; R99-R102 PolarHBondContact O-N 3.19Å; K100-R102 PolarHBondContact O-N 3.29Å; R102-M106 WeakPolarHBondContact O-CB 3.43Å; R102-M106 VanDerWaalsContact O-CG 3.29Å; R102-M106 WeakPolarHBondContact O-CG 3.41Å; R102-M106 PolarHBondContact O-N 3.49Å; R102-M106 VanDerWaalsContact O-N 3.13Å
103I88.4Confident89.4Confident122 Ų122121.6 Ų121.663%0.62653%0.531SS*.Hα-helixtrans-67-45.1176.9-67.7165.6000110R99 K100 R101 M106 R107R99-I103 WeakPolarHBondContact O-CG1 3.3Å; R99-I103 PolarHBondContact O-N 3.08Å; R99-I103 VanDerWaalsContact O-N 3.1Å; K100-I103 PolarHBondContact O-N 3.31Å; K100-I103 VanDerWaalsContact O-N 3.15Å; R101-I103 VanDerWaalsContact C-N 3.35Å; R101-I103 PolarHBondContact O-N 2.79Å; I103-M106 PolarHBondContact O-N 3.38Å; I103-R107 PolarHBondContact O-N 2.89Å
104E91.9Very high89.8Confident79 Ų79123.1 Ų123.137%0.36953%0.53SS..Hα-helixtrans-69.3-40.4179.8-170.752.5-14400112.3K100 R101 M106 R107 Q108K100-E104 PolarHBondContact O-N 3.31Å; R101-E104 PolarHBondContact O-N 2.94Å; E104-M106 VanDerWaalsContact C-N 3.28Å; E104-M106 PolarHBondContact O-N 3.07Å; E104-R107 CarbonylContact O-C 3.6Å; E104-R107 WeakPolarHBondContact O-CB 3.49Å; E104-R107 PolarHBondContact O-N 2.88Å; E104-R107 VanDerWaalsContact O-N 3.07Å; E104-R107 VanDerWaalsContact OE2-CD 3.25Å; E104-R107 WeakPolarHBondContact OE2-CD 3.18Å; E104-Q108 HydrophobicContact CG-CG 4.47Å; E104-Q108 WeakPolarHBondContact O-CG 3.28Å; E104-Q108 PolarHBondContact O-N 2.86Å
105E90.1Very high90.2Very high115 Ų115119.9 Ų119.954%0.53753%0.526SS..Hα-helixtrans-57.8-41.6172.2-173.7-172.2161.300111.4R101 K109R101-E105 VanDerWaalsContact O-CB 3.31Å; R101-E105 WeakPolarHBondContact O-CB 3.27Å; R101-E105 PolarHBondContact O-N 3.19Å; E105-K109 WeakPolarHBondContact O-CB 3.32Å; E105-K109 PolarHBondContact O-N 2.85Å
106M86.7Confident90Very high111 Ų111118.3 Ų118.355%0.54753%0.526SS..Hα-helixtrans-67.2-36.3174.9-76.8-66.3-64.500112.7R102 I103 E104 E110R102-M106 WeakPolarHBondContact O-CB 3.43Å; R102-M106 VanDerWaalsContact O-CG 3.29Å; R102-M106 WeakPolarHBondContact O-CG 3.41Å; R102-M106 PolarHBondContact O-N 3.49Å; R102-M106 VanDerWaalsContact O-N 3.13Å; I103-M106 PolarHBondContact O-N 3.38Å; E104-M106 VanDerWaalsContact C-N 3.28Å; E104-M106 PolarHBondContact O-N 3.07Å; M106-E110 WeakPolarHBondContact O-CB 3.2Å; M106-E110 PolarHBondContact O-N 3.31Å
107R92.9Very high90.3Very high155 Ų155116.4 Ų116.459%0.58553%0.527SS*.Hα-helixtrans-65.6-48174.2-175.2-171.2173.3104.7-5.2111.3I103 E104 E110 Q111I103-R107 PolarHBondContact O-N 2.89Å; E104-R107 CarbonylContact O-C 3.6Å; E104-R107 WeakPolarHBondContact O-CB 3.49Å; E104-R107 PolarHBondContact O-N 2.88Å; E104-R107 VanDerWaalsContact O-N 3.07Å; E104-R107 VanDerWaalsContact OE2-CD 3.25Å; E104-R107 WeakPolarHBondContact OE2-CD 3.18Å; R107-E110 WeakPolarHBondContact O-CB 3.16Å; R107-E110 PolarHBondContact O-N 3.1Å; R107-Q111 WeakPolarHBondContact O-CG 3.37Å; R107-Q111 PolarHBondContact O-N 2.94Å
108Q92.9Very high90.5Very high103 Ų103115.1 Ų115.148%0.48152%0.524SS..Hα-helixtrans-62.7-43.3176.7-70.5178.34.100111.7E104 E110 Q111 M112E104-Q108 HydrophobicContact CG-CG 4.47Å; E104-Q108 WeakPolarHBondContact O-CG 3.28Å; E104-Q108 PolarHBondContact O-N 2.86Å; Q108-E110 VanDerWaalsContact C-N 3.28Å; Q108-E110 PolarHBondContact O-N 3.37Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q108-M112 WeakPolarHBondContact O-CB 3.43Å; Q108-M112 WeakPolarHBondContact O-CG 3.35Å; Q108-M112 PolarHBondContact O-N 2.71Å
109K89.4Confident90.7Very high118 Ų118117.3 Ų117.351%0.51353%0.534SS..Hα-helixtrans-61.1-37.4174.8-172.2171.7-171.8167.90112E105 R113E105-K109 WeakPolarHBondContact O-CB 3.32Å; E105-K109 PolarHBondContact O-N 2.85Å; K109-R113 WeakPolarHBondContact O-CG 3.47Å; K109-R113 PolarHBondContact O-N 2.81Å
110E90.4Very high90.9Very high58 Ų58119 Ų11927%0.27154%0.541SS..Hα-helixtrans-70.2-40.7173.4176.256.4-16400112.6M106 R107 Q108 R113 R114M106-E110 WeakPolarHBondContact O-CB 3.2Å; M106-E110 PolarHBondContact O-N 3.31Å; R107-E110 WeakPolarHBondContact O-CB 3.16Å; R107-E110 PolarHBondContact O-N 3.1Å; Q108-E110 VanDerWaalsContact C-N 3.28Å; Q108-E110 PolarHBondContact O-N 3.37Å; E110-R113 PolarHBondContact O-N 3.03Å; E110-R113 IonicContact OE2-CZ 3.54Å; E110-R113 VanDerWaalsContact OE2-CZ 3.24Å; E110-R113 IonicContact OE2-NE 3.24Å; E110-R113 PolarHBondContact OE2-NE 3.32Å; E110-R113 IonicContact OE2-NH2 3.89Å; E110-R113 PolarHBondContact OE2-NH2 3.14Å; E110-R114 WeakPolarHBondContact O-CG 3.3Å; E110-R114 PolarHBondContact O-N 3.01Å; E110-R114 IonicContact OE1-CZ 2.66Å; E110-R114 IonicContact OE1-NE 3.56Å; E110-R114 PolarHBondContact OE1-NE 3.29Å; E110-R114 IonicContact OE1-NH2 2.59Å; E110-R114 PolarHBondContact OE1-NH2 3.04Å
111Q90.8Very high90.9Very high88 Ų88120 Ų12041%0.41154%0.54SS..Hα-helixtrans-60-45.3171.7-73.7172.4-4400111.5R107 Q108 R113 R114 L115R107-Q111 WeakPolarHBondContact O-CG 3.37Å; R107-Q111 PolarHBondContact O-N 2.94Å; Q108-Q111 PolarHBondContact O-N 3.35Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 PolarHBondContact O-N 3.33Å; Q111-R114 WeakPolarHBondContact O-CB 3.32Å; Q111-R114 PolarHBondContact O-N 3.5Å; Q111-R114 VanDerWaalsContact O-N 3.12Å; Q111-L115 WeakPolarHBondContact O-CG 3.36Å; Q111-L115 PolarHBondContact O-N 3.22Å
112M89.7Confident91.1Very high128 Ų128113.9 Ų113.963%0.63153%0.53SS*.Hα-helixtrans-61.5-39175.2-73.6-60.9-66.100112.5Q108 L115 S116Q108-M112 WeakPolarHBondContact O-CB 3.43Å; Q108-M112 WeakPolarHBondContact O-CG 3.35Å; Q108-M112 PolarHBondContact O-N 2.71Å; M112-L115 HydrophobicContact SD-CD1 4.5Å; M112-S116 VanDerWaalsContact O-CB 3.31Å; M112-S116 WeakPolarHBondContact O-CB 3.39Å; M112-S116 PolarHBondContact O-N 2.69Å
113R89.4Confident91.3Very high134 Ų134110.7 Ų110.751%0.50653%0.531SS..Hα-helixtrans-62.2-42.2171.9-76.6-169.4-61.9-138.1-0.2112K109 E110 Q111 A117K109-R113 WeakPolarHBondContact O-CG 3.47Å; K109-R113 PolarHBondContact O-N 2.81Å; E110-R113 PolarHBondContact O-N 3.03Å; E110-R113 IonicContact OE2-CZ 3.54Å; E110-R113 VanDerWaalsContact OE2-CZ 3.24Å; E110-R113 IonicContact OE2-NE 3.24Å; E110-R113 PolarHBondContact OE2-NE 3.32Å; E110-R113 IonicContact OE2-NH2 3.89Å; E110-R113 PolarHBondContact OE2-NH2 3.14Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; Q111-R113 PolarHBondContact O-N 3.33Å; R113-A117 VanDerWaalsContact O-CB 3.32Å; R113-A117 WeakPolarHBondContact O-CB 3.39Å; R113-A117 PolarHBondContact O-N 3.32Å
114R91.4Very high91.5Very high155 Ų155109.7 Ų109.759%0.58553%0.526SS*.Hα-helixtrans-65.1-46.4176.9-69.8172.2-172.8-163.41.2111.9E110 Q111 A117 L118E110-R114 WeakPolarHBondContact O-CG 3.3Å; E110-R114 PolarHBondContact O-N 3.01Å; E110-R114 IonicContact OE1-CZ 2.66Å; E110-R114 IonicContact OE1-NE 3.56Å; E110-R114 PolarHBondContact OE1-NE 3.29Å; E110-R114 IonicContact OE1-NH2 2.59Å; E110-R114 PolarHBondContact OE1-NH2 3.04Å; Q111-R114 WeakPolarHBondContact O-CB 3.32Å; Q111-R114 PolarHBondContact O-N 3.5Å; Q111-R114 VanDerWaalsContact O-N 3.12Å; R114-A117 PolarHBondContact O-N 2.89Å; R114-L118 WeakPolarHBondContact O-CG 3.32Å; R114-L118 PolarHBondContact O-N 3.31Å
115L92.8Very high91.5Very high106 Ų106110.6 Ų110.656%0.55553%0.53SS*.Hα-helixtrans-61.3-47.2177.1-69.9175.9000111.3Q111 M112 A117 L118 E119Q111-L115 WeakPolarHBondContact O-CG 3.36Å; Q111-L115 PolarHBondContact O-N 3.22Å; M112-L115 HydrophobicContact SD-CD1 4.5Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 3.15Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L115-E119 WeakPolarHBondContact O-CB 3.5Å; L115-E119 PolarHBondContact O-N 2.91Å
116S89.7Confident91.7Very high70 Ų70110.7 Ų110.749%0.4953%0.534SS..Hα-helixtrans-62.9-35.1176.3-1760000112.9M112 R120M112-S116 VanDerWaalsContact O-CB 3.31Å; M112-S116 WeakPolarHBondContact O-CB 3.39Å; M112-S116 PolarHBondContact O-N 2.69Å; S116-R120 VanDerWaalsContact O-CB 3.28Å; S116-R120 WeakPolarHBondContact O-CB 3.33Å; S116-R120 PolarHBondContact O-N 3.32Å
117A95.1Very high92Very high61 Ų61109.1 Ų109.150%0.50453%0.534SS..Hα-helixtrans-68.8-38.7173.700000112.7R113 R114 L115 R121R113-A117 VanDerWaalsContact O-CB 3.32Å; R113-A117 WeakPolarHBondContact O-CB 3.39Å; R113-A117 PolarHBondContact O-N 3.32Å; R114-A117 PolarHBondContact O-N 2.89Å; L115-A117 VanDerWaalsContact C-N 3.31Å; L115-A117 PolarHBondContact O-N 3.36Å; A117-R121 WeakPolarHBondContact O-CB 3.46Å; A117-R121 PolarHBondContact O-N 2.7Å
118L93.1Very high92.1Very high105 Ų105106 Ų10655%0.5553%0.529SS..Hα-helixtrans-68.9-43.8175.2-72.3172000111.9R114 L115 R120 R121 A122R114-L118 WeakPolarHBondContact O-CG 3.32Å; R114-L118 PolarHBondContact O-N 3.31Å; L115-L118 PolarHBondContact O-N 3.15Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L118-R120 PolarHBondContact O-N 3.09Å; L118-R121 WeakPolarHBondContact O-CB 3.22Å; L118-R121 PolarHBondContact O-N 2.96Å; L118-R121 VanDerWaalsContact O-N 3.16Å; L118-A122 WeakPolarHBondContact O-CB 3.31Å; L118-A122 PolarHBondContact O-N 3.32Å
119E91.3Very high92.2Very high141 Ų141106 Ų10666%0.65953%0.529SS*.Hα-helixtrans-58.4-47.4173.6-177.5-174.2-164.500110.9L115 R121 A122 A123L115-E119 WeakPolarHBondContact O-CB 3.5Å; L115-E119 PolarHBondContact O-N 2.91Å; E119-R121 VanDerWaalsContact C-N 3.31Å; E119-R121 PolarHBondContact O-N 3.03Å; E119-A122 PolarHBondContact O-N 3.48Å; E119-A123 WeakPolarHBondContact O-CB 3.43Å; E119-A123 PolarHBondContact O-N 3.15Å
120R92.4Very high92.4Very high186 Ų186102.9 Ų102.970%0.70253%0.525SS*.Hα-helixtrans-61.7-37.6175.3-175.2176.5-179.8179.30.5112.4S116 L118 L124S116-R120 VanDerWaalsContact O-CB 3.28Å; S116-R120 WeakPolarHBondContact O-CB 3.33Å; S116-R120 PolarHBondContact O-N 3.32Å; L118-R120 PolarHBondContact O-N 3.09Å; R120-L124 HydrophobicContact CG-CD1 4.44Å; R120-L124 WeakPolarHBondContact O-CG 3.29Å; R120-L124 PolarHBondContact O-N 3.04Å; R120-L124 VanDerWaalsContact O-N 3.12Å
121R90.8Very high92.6Very high170 Ų170108.3 Ų108.364%0.64254%0.543SS*.Hα-helixtrans-65-47.6174.6-178.6178.7175.6169.60.2110.9A117 L118 E119 A123 L124 E125A117-R121 WeakPolarHBondContact O-CB 3.46Å; A117-R121 PolarHBondContact O-N 2.7Å; L118-R121 WeakPolarHBondContact O-CB 3.22Å; L118-R121 PolarHBondContact O-N 2.96Å; L118-R121 VanDerWaalsContact O-N 3.16Å; E119-R121 VanDerWaalsContact C-N 3.31Å; E119-R121 PolarHBondContact O-N 3.03Å; R121-A123 VanDerWaalsContact C-N 3.35Å; R121-A123 PolarHBondContact O-N 3.1Å; R121-L124 PolarHBondContact O-N 3.25Å; R121-E125 WeakPolarHBondContact O-CB 3.47Å; R121-E125 PolarHBondContact O-N 2.94Å
122A93.3Very high92.7Very high59 Ų59109.5 Ų109.549%0.48855%0.551SS.*Hα-helixtrans-61.1-40.8177.700000112.1L118 E119 E125 L126L118-A122 WeakPolarHBondContact O-CB 3.31Å; L118-A122 PolarHBondContact O-N 3.32Å; E119-A122 PolarHBondContact O-N 3.48Å; A122-E125 PolarHBondContact O-N 2.83Å; A122-L126 WeakPolarHBondContact O-CB 3.42Å; A122-L126 PolarHBondContact O-N 2.82Å
123A93.7Very high92.9Very high60 Ų60109.4 Ų109.450%0.49655%0.549SS..Hα-helixtrans-64.6-40.1175.700000112.9E119 R121 S127E119-A123 WeakPolarHBondContact O-CB 3.43Å; E119-A123 PolarHBondContact O-N 3.15Å; R121-A123 VanDerWaalsContact C-N 3.35Å; R121-A123 PolarHBondContact O-N 3.1Å; A123-S127 WeakPolarHBondContact O-CB 3.42Å; A123-S127 PolarHBondContact O-N 3.13Å
124L93.1Very high93Very high101 Ų101111.1 Ų111.153%0.52956%0.556SS.*Hα-helixtrans-67.9-38.1173.6-73171.3000111.9R120 R121 S127 N128R120-L124 HydrophobicContact CG-CD1 4.44Å; R120-L124 WeakPolarHBondContact O-CG 3.29Å; R120-L124 PolarHBondContact O-N 3.04Å; R120-L124 VanDerWaalsContact O-N 3.12Å; R121-L124 PolarHBondContact O-N 3.25Å; L124-S127 PolarHBondContact O-N 3.32Å; L124-N128 WeakPolarHBondContact O-CB 3.35Å; L124-N128 PolarHBondContact O-N 3Å; L124-N128 PolarHBondContact O-ND2 3.47Å
125E93.1Very high93Very high98 Ų98107.8 Ų107.846%0.45855%0.549SS..Hα-helixtrans-65.8-47.2176.7-170166.9164.800111.5R121 A122 S127 N128 Q129R121-E125 WeakPolarHBondContact O-CB 3.47Å; R121-E125 PolarHBondContact O-N 2.94Å; A122-E125 PolarHBondContact O-N 2.83Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 3.08Å; E125-N128 CarbonylContact O-C 3.55Å; E125-N128 PolarHBondContact O-N 3.35Å; E125-N128 VanDerWaalsContact O-N 3.14Å; E125-Q129 WeakPolarHBondContact O-CG 3.37Å; E125-Q129 PolarHBondContact O-N 3.3Å
126L94.3Very high92.9Very high118 Ų118111.8 Ų111.862%0.61856%0.557SS**Hα-helixtrans-59.4-40.8174.2-173.268.5000112A122 Q129 A130A122-L126 WeakPolarHBondContact O-CB 3.42Å; A122-L126 PolarHBondContact O-N 2.82Å; L126-Q129 PolarHBondContact O-N 2.85Å; L126-A130 WeakPolarHBondContact O-CB 3.45Å; L126-A130 PolarHBondContact O-N 2.91Å
127S91.7Very high92.9Very high78 Ų78113.9 Ų113.955%0.54556%0.559SS.*Hα-helixtrans-65.3-39.5175.3-170.70000112.5A123 L124 E125 R131A123-S127 WeakPolarHBondContact O-CB 3.42Å; A123-S127 PolarHBondContact O-N 3.13Å; L124-S127 PolarHBondContact O-N 3.32Å; E125-S127 VanDerWaalsContact C-N 3.32Å; E125-S127 PolarHBondContact O-N 3.08Å; S127-R131 WeakPolarHBondContact O-CB 3.2Å; S127-R131 PolarHBondContact O-N 3.38Å
128N94.6Very high92.7Very high88 Ų88117.2 Ų117.247%0.47156%0.559SS.*Hα-helixtrans-68.2-41.4174.4-76.7-35.5000112L124 E125 R131 I132L124-N128 WeakPolarHBondContact O-CB 3.35Å; L124-N128 PolarHBondContact O-N 3Å; L124-N128 PolarHBondContact O-ND2 3.47Å; E125-N128 CarbonylContact O-C 3.55Å; E125-N128 PolarHBondContact O-N 3.35Å; E125-N128 VanDerWaalsContact O-N 3.14Å; N128-R131 WeakPolarHBondContact O-CB 3.37Å; N128-R131 PolarHBondContact O-N 2.99Å; N128-I132 VanDerWaalsContact O-CG1 3.28Å; N128-I132 WeakPolarHBondContact O-CG1 3.49Å; N128-I132 PolarHBondContact O-N 2.86Å
129Q95.5Very high92.5Very high103 Ų103115.4 Ų115.448%0.48155%0.554SS.*Hα-helixtrans-60.2-50.1174.1-72.8176.87.200110.8E125 L126 R131 I132 E133E125-Q129 WeakPolarHBondContact O-CG 3.37Å; E125-Q129 PolarHBondContact O-N 3.3Å; L126-Q129 PolarHBondContact O-N 2.85Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.36Å; Q129-I132 CarbonylContact O-C 3.56Å; Q129-I132 PolarHBondContact O-N 2.98Å; Q129-E133 WeakPolarHBondContact O-CB 3.23Å; Q129-E133 PolarHBondContact O-N 3.16Å
130A94Very high92.2Very high53 Ų53111.2 Ų111.244%0.43854%0.544SS..Hα-helixtrans-61-33.417600000113L126 R134L126-A130 WeakPolarHBondContact O-CB 3.45Å; L126-A130 PolarHBondContact O-N 2.91Å; A130-R134 VanDerWaalsContact O-CB 3.31Å; A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 PolarHBondContact O-N 2.94Å
131R94.4Very high91.7Very high172 Ų172107.3 Ų107.365%0.64954%0.537SS*.Hα-helixtrans-66.7-42.5172179-177.6174.8-174.6-0.7111.9S127 N128 Q129 L135S127-R131 WeakPolarHBondContact O-CB 3.2Å; S127-R131 PolarHBondContact O-N 3.38Å; N128-R131 WeakPolarHBondContact O-CB 3.37Å; N128-R131 PolarHBondContact O-N 2.99Å; Q129-R131 VanDerWaalsContact C-N 3.27Å; Q129-R131 PolarHBondContact O-N 3.36Å; R131-L135 WeakPolarHBondContact O-CG 3.31Å; R131-L135 PolarHBondContact O-N 3.25Å; R131-L135 VanDerWaalsContact O-N 3.14Å
132I94Very high91.2Very high114 Ų114106.8 Ų106.859%0.58554%0.535SS*.Hα-helixtrans-67.2-43.4177.2-68.7162.3000110.3N128 Q129 L135 R136N128-I132 VanDerWaalsContact O-CG1 3.28Å; N128-I132 WeakPolarHBondContact O-CG1 3.49Å; N128-I132 PolarHBondContact O-N 2.86Å; Q129-I132 CarbonylContact O-C 3.56Å; Q129-I132 PolarHBondContact O-N 2.98Å; I132-L135 CarbonylContact O-C 3.59Å; I132-L135 WeakPolarHBondContact O-CA 3.43Å; I132-L135 WeakPolarHBondContact O-CB 3.47Å; I132-L135 PolarHBondContact O-N 2.9Å; I132-L135 VanDerWaalsContact O-N 3.12Å; I132-R136 PolarHBondContact O-N 2.91Å
133E92.6Very high90.1Very high125 Ų125107.1 Ų107.158%0.58453%0.534SS*.Hα-helixtrans-62-46.7177.3-175.6169.3-143.500111.6Q129 L135 R136 E137Q129-E133 WeakPolarHBondContact O-CB 3.23Å; Q129-E133 PolarHBondContact O-N 3.16Å; E133-L135 PolarHBondContact O-N 3.36Å; E133-R136 CarbonylContact O-C 3.6Å; E133-R136 WeakPolarHBondContact O-CA 3.27Å; E133-R136 WeakPolarHBondContact O-CB 3.45Å; E133-R136 PolarHBondContact O-N 3.41Å; E133-E137 WeakPolarHBondContact O-CB 3.39Å; E133-E137 PolarHBondContact O-N 3.45Å
134R91.8Very high88.5Confident170 Ų170106.4 Ų106.464%0.64253%0.532SS*.Hα-helixtrans-59.5-32.1173178.9178.8-82.6162.3-7.2112.8A130 R138A130-R134 VanDerWaalsContact O-CB 3.31Å; A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 PolarHBondContact O-N 2.94Å; R134-R138 VanDerWaalsContact O-CB 3.23Å; R134-R138 WeakPolarHBondContact O-CB 3.3Å; R134-R138 PolarHBondContact O-N 3.5Å; R134-R138 VanDerWaalsContact O-N 3.12Å
135L91.7Very high87Confident86 Ų86107.9 Ų107.945%0.4554%0.541SS..Hα-helixtrans-73.8-36.8172.2-73.2171.8000111.9R131 I132 E133 S139R131-L135 WeakPolarHBondContact O-CG 3.31Å; R131-L135 PolarHBondContact O-N 3.25Å; R131-L135 VanDerWaalsContact O-N 3.14Å; I132-L135 CarbonylContact O-C 3.59Å; I132-L135 WeakPolarHBondContact O-CA 3.43Å; I132-L135 WeakPolarHBondContact O-CB 3.47Å; I132-L135 PolarHBondContact O-N 2.9Å; I132-L135 VanDerWaalsContact O-N 3.12Å; E133-L135 PolarHBondContact O-N 3.36Å; L135-S139 WeakPolarHBondContact O-CB 3.49Å; L135-S139 PolarHBondContact O-N 3.31Å; L135-S139 PolarHBondContact O-OG 3.45Å
136R90.5Very high85.3Confident189 Ų189107.9 Ų107.971%0.71354%0.544SS*.Hα-helixtrans-65.4-48.4175.8-164.2-179.888.5148.83.6111.2I132 E133 S139 A140I132-R136 PolarHBondContact O-N 2.91Å; E133-R136 CarbonylContact O-C 3.6Å; E133-R136 WeakPolarHBondContact O-CA 3.27Å; E133-R136 WeakPolarHBondContact O-CB 3.45Å; E133-R136 PolarHBondContact O-N 3.41Å; R136-S139 CarbonylContact O-C 3.54Å; R136-S139 WeakPolarHBondContact O-CA 3.35Å; R136-S139 WeakPolarHBondContact O-CB 3.45Å; R136-S139 PolarHBondContact O-N 2.72Å; R136-A140 PolarHBondContact O-N 3.18Å
137E89.9Confident83.5Confident115 Ų115105.8 Ų105.854%0.53754%0.536SS..Hα-helixtrans-59.4-49.4174.9-175.8-171.8-157.900111.3E133 S139 A140 N141E133-E137 WeakPolarHBondContact O-CB 3.39Å; E133-E137 PolarHBondContact O-N 3.45Å; E137-S139 PolarHBondContact O-N 3.03Å; E137-S139 VanDerWaalsContact O-N 3.16Å; E137-A140 PolarHBondContact O-N 3.17Å; E137-A140 VanDerWaalsContact O-N 3.14Å; E137-N141 WeakPolarHBondContact O-CB 3.22Å; E137-N141 VanDerWaalsContact O-CG 3.27Å; E137-N141 PolarHBondContact O-N 2.99Å; E137-N141 PolarHBondContact O-OD1 3.28Å
138R90.5Very high81.8Confident131 Ų131108.8 Ų108.849%0.49454%0.54SS..Hα-helixtrans-57.5-31.5173.5-175.2-176.5-65179.3-3.6112.5R134 R142R134-R138 VanDerWaalsContact O-CB 3.23Å; R134-R138 WeakPolarHBondContact O-CB 3.3Å; R134-R138 PolarHBondContact O-N 3.5Å; R134-R138 VanDerWaalsContact O-N 3.12Å; R138-R142 WeakPolarHBondContact O-CD 3.49Å; R138-R142 WeakPolarHBondContact O-CG 3.36Å; R138-R142 PolarHBondContact O-N 3.41Å
139S88.6Confident79.9Confident66 Ų66114.6 Ų114.646%0.46256%0.555SS.*Hα-helixtrans-79.2-37.6177.8-56.90000112.3L135 R136 E137 R142 S143L135-S139 WeakPolarHBondContact O-CB 3.49Å; L135-S139 PolarHBondContact O-N 3.31Å; L135-S139 PolarHBondContact O-OG 3.45Å; R136-S139 CarbonylContact O-C 3.54Å; R136-S139 WeakPolarHBondContact O-CA 3.35Å; R136-S139 WeakPolarHBondContact O-CB 3.45Å; R136-S139 PolarHBondContact O-N 2.72Å; E137-S139 PolarHBondContact O-N 3.03Å; E137-S139 VanDerWaalsContact O-N 3.16Å; S139-R142 CarbonylContact O-C 3.58Å; S139-R142 WeakPolarHBondContact O-CB 3.45Å; S139-R142 PolarHBondContact O-N 3.48Å; S139-S143 PolarHBondContact O-N 2.84Å
140A85.1Confident78.1Confident53 Ų53117.5 Ų117.544%0.43856%0.562SS.*Hα-helixtrans-63.7-43.5172.600000111.7R136 E137 R142 S143 G144R136-A140 PolarHBondContact O-N 3.18Å; E137-A140 PolarHBondContact O-N 3.17Å; E137-A140 VanDerWaalsContact O-N 3.14Å; A140-R142 PolarHBondContact O-N 2.92Å; A140-S143 WeakPolarHBondContact CA-OG 3.47Å; A140-S143 PolarHBondContact O-N 2.93Å; A140-S143 VanDerWaalsContact O-N 3.1Å; A140-S143 PolarHBondContact O-OG 3.2Å; A140-G144 PolarHBondContact O-N 3Å; A140-G144 VanDerWaalsContact O-N 3.07Å
141N82.4Confident76.4Confident105 Ų105121.4 Ų121.456%0.56157%0.571SS**Hα-helixtrans-66-25.3175.6-63.4-5.1000111.9E137E137-N141 WeakPolarHBondContact O-CB 3.22Å; E137-N141 VanDerWaalsContact O-CG 3.27Å; E137-N141 PolarHBondContact O-N 2.99Å; E137-N141 PolarHBondContact O-OD1 3.28Å
142R81.3Confident74.4Confident158 Ų158120.4 Ų120.460%0.59657%0.571SS**Hα-helixtrans-79.7-34.2170.8-75.3168.1175.8-168.1-4.6112.9R138 S139 A140 N146R138-R142 WeakPolarHBondContact O-CD 3.49Å; R138-R142 WeakPolarHBondContact O-CG 3.36Å; R138-R142 PolarHBondContact O-N 3.41Å; S139-R142 CarbonylContact O-C 3.58Å; S139-R142 WeakPolarHBondContact O-CB 3.45Å; S139-R142 PolarHBondContact O-N 3.48Å; A140-R142 PolarHBondContact O-N 2.92Å; R142-N146 PolarHBondContact O-N 3.49Å; R142-N146 PolarHBondContact O-ND2 3.22Å
143S68.5Low72.7Confident67 Ų67117.9 Ų117.947%0.46957%0.568SS.*Hα-helixtrans-72.1-37.3179.560.10000112S139 A140 N145 N146 T147S139-S143 PolarHBondContact O-N 2.84Å; A140-S143 WeakPolarHBondContact CA-OG 3.47Å; A140-S143 PolarHBondContact O-N 2.93Å; A140-S143 VanDerWaalsContact O-N 3.1Å; A140-S143 PolarHBondContact O-OG 3.2Å; S143-N145 VanDerWaalsContact C-N 3.28Å; S143-N145 PolarHBondContact O-N 3.39Å; S143-N146 PolarHBondContact O-N 2.94Å; S143-T147 PolarHBondContact O-N 2.83Å; S143-T147 PolarHBondContact O-OG1 3.37Å
144G61.9Low71Confident44 Ų44118.3 Ų118.345%0.45457%0.57SS.*Hα-helixtrans-57-35.8175.300000114.4A140 T147A140-G144 PolarHBondContact O-N 3Å; A140-G144 VanDerWaalsContact O-N 3.07Å; G144-T147 PolarHBondContact O-OG1 2.95Å; G144-T147 VanDerWaalsContact O-OG1 3.04Å
145N59.6Low69.2Low132 Ų132117.6 Ų117.671%0.70657%0.573SS**Hα-helixtrans-82.4-19.1175.2-74.9-21.8000113.7S143S143-N145 VanDerWaalsContact C-N 3.28Å; S143-N145 PolarHBondContact O-N 3.39Å
146N59Low67.4Low98 Ų98120 Ų12052%0.52459%0.587SS.*Hα-helixtrans-91.3-22.8179-81.8-71.1000113.4R142 S143 R150R142-N146 PolarHBondContact O-N 3.49Å; R142-N146 PolarHBondContact O-ND2 3.22Å; S143-N146 PolarHBondContact O-N 2.94Å; N146-R150 VanDerWaalsContact O-CB 3.22Å; N146-R150 WeakPolarHBondContact O-CB 3.36Å; N146-R150 PolarHBondContact O-N 3.45Å
147T56.4Low65.6Low75 Ų75119 Ų11946%0.4659%0.59SS.*Hα-helixtrans-64.6-46.2173.843.80000111.3S143 G144 R149 R150 Q151S143-T147 PolarHBondContact O-N 2.83Å; S143-T147 PolarHBondContact O-OG1 3.37Å; G144-T147 PolarHBondContact O-OG1 2.95Å; G144-T147 VanDerWaalsContact O-OG1 3.04Å; T147-R149 PolarHBondContact O-N 2.95Å; T147-R150 PolarHBondContact O-N 3.26Å; T147-Q151 WeakPolarHBondContact O-CB 3.47Å; T147-Q151 WeakPolarHBondContact O-CG 3.45Å; T147-Q151 PolarHBondContact O-N 2.9Å
148F55Low63.7Low141 Ų141119.4 Ų119.462%0.61861%0.605SS**Hα-helixtrans-59.9-46.8176.1-130.3-102000111.3R150 Q151 F152F148-R150 VanDerWaalsContact C-N 3.34Å; F148-R150 PolarHBondContact O-N 3.49Å; F148-Q151 PolarHBondContact O-N 3.13Å; F148-F152 HydrophobicContact CD1-CD2 4.33Å; F148-F152 AromaticContact CD1-CE2 3.76Å; F148-F152 HydrophobicContact CD1-CE2 3.76Å; F148-F152 AromaticContact CE1-CE2 3.66Å; F148-F152 HydrophobicContact CE1-CE2 3.66Å; F148-F152 HydrophobicContact CE1-CZ 4.4Å; F148-F152 HydrophobicContact CZ-CE2 4.42Å; F148-F152 VanDerWaalsContact O-CD2 3.28Å; F148-F152 WeakPolarHBondContact O-CD2 3.26Å
149R55.7Low61.8Low210 Ų210116.3 Ų116.379%0.79261%0.614SS**Hα-helixtrans-69.7-28-179.4-145.7-176.6-160.2-141.15.1113.8T147T147-R149 PolarHBondContact O-N 2.95Å
150R58Low59.8Low164 Ų164124.9 Ų124.962%0.61964%0.636SS**Hα-helixtrans-79.7-38.5175.9-172178.5-72.2-94.15.1111.9N146 T147 F148 F152 A153 E154N146-R150 VanDerWaalsContact O-CB 3.22Å; N146-R150 WeakPolarHBondContact O-CB 3.36Å; N146-R150 PolarHBondContact O-N 3.45Å; T147-R150 PolarHBondContact O-N 3.26Å; F148-R150 VanDerWaalsContact C-N 3.34Å; F148-R150 PolarHBondContact O-N 3.49Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 PolarHBondContact O-N 2.84Å; R150-A153 PolarHBondContact O-N 3.41Å; R150-E154 HydrophobicContact CG-CG 3.88Å; R150-E154 IonicContact NH1-OE1 2.91Å; R150-E154 PolarHBondContact NH1-OE1 2.86Å; R150-E154 VanDerWaalsContact O-CG 3.26Å; R150-E154 WeakPolarHBondContact O-CG 3.45Å; R150-E154 PolarHBondContact O-N 3.19Å; R150-E154 VanDerWaalsContact O-N 3.16Å
151Q57.7Low57.9Low135 Ų135129.3 Ų129.363%0.63166%0.658SS**Hα-helixtrans-61-33.9179.5-78.1176.5-9.700113.2T147 F148T147-Q151 WeakPolarHBondContact O-CB 3.47Å; T147-Q151 WeakPolarHBondContact O-CG 3.45Å; T147-Q151 PolarHBondContact O-N 2.9Å; F148-Q151 PolarHBondContact O-N 3.13Å
152F52.9Low56.3Low150 Ų150128.2 Ų128.266%0.65866%0.663SS**THydrogen-bonded Turntrans-80.7-17.7172.2-69.1-71.7000114.5F148 R150F148-F152 HydrophobicContact CD1-CD2 4.33Å; F148-F152 AromaticContact CD1-CE2 3.76Å; F148-F152 HydrophobicContact CD1-CE2 3.76Å; F148-F152 AromaticContact CE1-CE2 3.66Å; F148-F152 HydrophobicContact CE1-CE2 3.66Å; F148-F152 HydrophobicContact CE1-CZ 4.4Å; F148-F152 HydrophobicContact CZ-CE2 4.42Å; F148-F152 VanDerWaalsContact O-CD2 3.28Å; F148-F152 WeakPolarHBondContact O-CD2 3.26Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 PolarHBondContact O-N 2.84Å
153A57.9Low54.9Low62 Ų62126.1 Ų126.151%0.51267%0.673SS.*THydrogen-bonded Turntrans-87.5-21-179.500000113.7R150R150-A153 PolarHBondContact O-N 3.41Å
154E56.3Low53.9Low134 Ų134127.9 Ų127.963%0.62669%0.692SS**SBendtrans-86.1-5.5-175.4-61-88.6163.600113.2R150R150-E154 HydrophobicContact CG-CG 3.88Å; R150-E154 IonicContact NH1-OE1 2.91Å; R150-E154 PolarHBondContact NH1-OE1 2.86Å; R150-E154 VanDerWaalsContact O-CG 3.26Å; R150-E154 WeakPolarHBondContact O-CG 3.45Å; R150-E154 PolarHBondContact O-N 3.19Å; R150-E154 VanDerWaalsContact O-N 3.16Å
155H54.6Low53.1Low154 Ų154131.4 Ų131.471%0.71371%0.71SS**SBendtrans-98.6-10.4-170.1-142.4-56.9000116.1
156D54.4Low53Low137 Ų137131.3 Ų131.373%0.73372%0.716SS**SBendtrans-100.710.3-174.6-83.8-22.8000114.8
157H52.8Low52.6Low169 Ų169132.4 Ų132.478%0.78273%0.732SS**  trans-120.830.4-175.3-66.3-13.8000114.6G159H157-G159 PolarHBondContact O-N 2.9Å
158S49.3Very low52.3Low123 Ų123137.2 Ų137.286%0.8675%0.753SS**  trans-74.765.916753.80000112.1
159G49.9Very low51.8Low66 Ų66133.7 Ų133.768%0.6876%0.757SS**  trans176.836.7-176.400000119.9H157H157-G159 PolarHBondContact O-N 2.9Å
160R47.1Very low51.6Low245 Ų245130.3 Ų130.393%0.92576%0.76SS**  trans-153.9101.5161.5-119.2165.5-171.2-163.90.2115
161T45.8Very low51.1Low146 Ų146127.6 Ų127.690%0.89677%0.766SS**  trans-84.5122.8158.143.40000109.7
162A48Very low50.6Low82 Ų82132.2 Ų132.268%0.67878%0.778SS**  trans175120.2159.200000105.4
163S51Low50.6Low115 Ų115131.4 Ų131.480%0.80478%0.78SS**  55.1137.558.982.70000114.4
164A48.6Very low50.3Low103 Ų103135 Ų13585%0.85180%0.798SS**  trans81.2124.5176.800000119.3
165S46.1Very low50.2Low119 Ų119133.5 Ų133.583%0.83280%0.803SS**  trans-65.1173.5-176.2-50.50000116.3
166P56.8Low50.3Low130 Ų130131.3 Ų131.384%0.84480%0.8SS**  trans-92.1168.7-163.537.9-35.6000114.7
167S50Low50Low121 Ų121132.2 Ų132.285%0.84680%0.804SS**  trans-129.9152.9173.1-1690000112.4
168L50.1Low49.8Very low175 Ų175132.2 Ų132.292%0.91681%0.807SS**  trans-90.4160.5-171.5-70.2113000114.1
169G45.4Very low49.8Very low68 Ų68132.5 Ų132.570%0.70180%0.803SS**  trans111.1144.9158.800000114.5
170T50.9Low49.6Very low139 Ų139135.3 Ų135.385%0.85381%0.807SS**  cis-159.1159.3-0.7420000110.5
171S47.6Very low50Low107 Ų107128.7 Ų128.775%0.74880%0.799SS**  trans63.2100.8150.7172.10000119.9
172R48Very low50.3Low232 Ų232127.5 Ų127.588%0.87580%0.795SS**  -170.3137.7115.8-107.3172.5176.1-163.7-2.4113.8
173N51.8Low50.6Low132 Ų132129.5 Ų129.571%0.70680%0.799SS**  trans60106.5166-71-23000120.2
174P52.6Low50.6Low138 Ų138130.9 Ų130.990%0.89680%0.802SS**  trans-101.325.3175.440.2-35.7000115.1
175S53.2Low50.5Low102 Ų102130.2 Ų130.271%0.71380%0.797SS**  trans-1098.2-166.362.40000116.7
176T56.6Low50.4Low108 Ų108134.7 Ų134.766%0.66380%0.801SS**SBendtrans-129.5104.5-169.6-26.70000112
177L49.5Very low49.8Very low156 Ų156132.1 Ų132.182%0.81780%0.799SS**  trans57.288.4158.1-58.5160.7000114.6
178M47.5Very low50Low170 Ų170131.5 Ų131.584%0.83779%0.794SS**  50.4127.853.5-86.9-72.5166.800114.4
179T50Low49.9Very low129 Ų129128.9 Ų128.979%0.79179%0.791SS**  trans72.9124179.6710000116.5
180T45.3Very low50.1Low124 Ų124129.3 Ų129.376%0.76179%0.788SS**  cis-143120.9-13.648.20000110
181S56.1Low50.4Low107 Ų107129.3 Ų129.375%0.74879%0.79SS**  trans-96.3119.8164.651.90000110.1V183S181-V183 PolarHBondContact O-N 3.06Å
182C51.8Low50.8Low121 Ų121135 Ų13582%0.81880%0.795SS**  trans-7691.8174.8-56.40000109.4V184C182-V184 PolarHBondContact O-N 3.25Å
183V54.5Low51.3Low124 Ų124129.9 Ų129.975%0.75280%0.795SS**  trans-68.5121.9173.3177.70000109.3S181 A185S181-V183 PolarHBondContact O-N 3.06Å; V183-A185 PolarHBondContact O-N 2.99Å; V183-A185 VanDerWaalsContact O-N 3.12Å
184V49.5Very low51.2Low143 Ų143130 Ų13087%0.86779%0.794SS**  trans-75.597.9176178.70000109.1C182C182-V184 PolarHBondContact O-N 3.25Å
185A47.4Very low50.8Low90 Ų90131.2 Ų131.274%0.74479%0.792SS**  trans-95.2104.7172.300000110.4V183V183-A185 PolarHBondContact O-N 2.99Å; V183-A185 VanDerWaalsContact O-N 3.12Å
186F44.6Very low50.7Low212 Ų212133 Ų13393%0.9379%0.792SS**  trans-71.1125.7170.2-172.5-90.1000109.2
187G43.5Very low50Low77 Ų77132.7 Ų132.779%0.79479%0.794SS**SBendtrans152.1-6.417100000119.9
188S53.7Low49.7Very low107 Ų107133 Ų13375%0.74880%0.797SS**  trans-141.4129.7175.360.90000113.6
189S49.5Very low49.3Very low120 Ų120136 Ų13684%0.83980%0.799SS**SBendtrans-64.7141.6172.443.40000111.8
190A49Very low48.9Very low78 Ų78135.3 Ų135.365%0.64580%0.799SS**SBendtrans74.2102.4-177.500000116.5R192A190-R192 PolarHBondContact O-N 2.9Å
191P56Low48.6Very low139 Ų139135.3 Ų135.390%0.90380%0.804SS**  trans-70.7112.9169.229.4-32.5000110.4
192R55.9Low48Very low227 Ų227135.8 Ų135.886%0.85781%0.808SS**  trans-90.5119.7166.4-76.2178.3156.7144.5-4.9109.1A190 I194A190-R192 PolarHBondContact O-N 2.9Å; R192-I194 PolarHBondContact O-N 3.46Å
193S58.8Low47.5Very low123 Ų123135 Ų13586%0.8680%0.804SS**  trans-71.395.7167.242.70000109.5L195S193-L195 PolarHBondContact O-N 3.32Å
194I51.4Low46.9Very low134 Ų134136.6 Ų136.669%0.68781%0.808SS**  trans-74.7107.2175.2-56178.1000108.3R192 I196R192-I194 PolarHBondContact O-N 3.46Å; I194-I196 HydrophobicContact CG2-CD1 4.42Å; I194-I196 HydrophobicContact CG2-CG1 3.71Å; I194-I196 PolarHBondContact O-N 3.48Å
195L43.1Very low46.6Very low165 Ų165139 Ų13986%0.86481%0.81SS**  trans-65.893.2164.6-94.4163.3000109.3S193 S197S193-L195 PolarHBondContact O-N 3.32Å; L195-S197 PolarHBondContact O-N 2.88Å
196I51.8Low46.4Very low140 Ų140140.2 Ų140.272%0.71881%0.811SS**  trans-84.1105169.3-58.5-175.9000108.3I194 N198I194-I196 HydrophobicContact CG2-CD1 4.42Å; I194-I196 HydrophobicContact CG2-CG1 3.71Å; I194-I196 PolarHBondContact O-N 3.48Å; I196-N198 PolarHBondContact O-N 2.89Å
197S40.8Very low46.5Very low101 Ų101137.3 Ų137.371%0.70681%0.805SS**  trans-78113.6173.6-63.20000110.5L195L195-S197 PolarHBondContact O-N 2.88Å
198N43.6Very low46.8Very low161 Ų161142.6 Ų142.686%0.86181%0.806SS**  trans-97.1111.1161.6-99.10.9000110I196I196-N198 PolarHBondContact O-N 2.89Å
199R40Very low46.3Very low235 Ų235144.9 Ų144.989%0.88781%0.809SS**  trans-65137.7174-65.9174.2168.5-154.9-4110.7
200S40.4Very low45.9Very low114 Ų114142.1 Ų142.180%0.79780%0.799SS**  trans-169.2101.8134.2-82.90000112.1
201S39.5Very low45.5Very low123 Ų123149.3 Ų149.386%0.8681%0.809SS**  trans60.677.6138.4-500000120.8
202S43Very low44.7Very low118 Ų118150.8 Ų150.883%0.82580%0.802SS**  trans-148.6129.1131.256.80000112.5
203S41.3Very low44Very low105 Ų105146.1 Ų146.173%0.73479%0.794SS**  trans18.2107169.659.10000120.9
204N42Very low43.1Very low156 Ų156148.9 Ų148.983%0.83479%0.793SS**  36.794.9119.7-53.3-10.2000118.6
205E43.3Very low42.5Very low195 Ų195151.2 Ų151.291%0.91180%0.8SS**  175.5100.3111-96.4-169.6124.800109.3
206C43.1Very low42.7Very low114 Ų114148.4 Ų148.477%0.7779%0.792SS**  trans-109.6155.6161-650000109.3
207D46.3Very low42Very low152 Ų152151.2 Ų151.281%0.81380%0.799SS**  trans65.488.7159.5-51.1-37000117.7
208K49.8Very low42.1Very low187 Ų187152.5 Ų152.581%0.81380%0.803SS**  trans-154.2125143.1-106.8154.5-169.1173.20111.2
209I43.7Very low42.1Very low156 Ų156150 Ų15080%0.879%0.793SS**  trans65.9109145-53.9160.9000113.5
210G41.7Very low42.1Very low61 Ų61148.1 Ų148.163%0.62979%0.792SS**  cis84.9116.735.500000110.8
211R39.3Very low41.8Very low230 Ų230147.9 Ų147.987%0.86879%0.79SS**  trans72.7134.6163.8-72.2-175.3-172.9-127.21119.8
212F40.3Very low41.9Very low170 Ų170150.1 Ų150.175%0.74679%0.79SS**  trans88.3140.3143.3-89.1-121.2000120.9
213N40.6Very low42Very low128 Ų128150.8 Ų150.868%0.68479%0.789SS**  trans-55.9147.6171-54.2-67.7000111.5
214H40.4Very low42Very low182 Ų182149.6 Ų149.684%0.84379%0.786SS**  178.9140.6107.9-87.7-65.7000111.2
215H37.9Very low42.2Very low182 Ų182148.1 Ų148.184%0.84379%0.785SS**  trans-67.7178.8169.1-70.4-80.4000112.1
216P47Very low42Very low107 Ų107143.2 Ų143.270%0.69578%0.778SS**  cis-136.2176.3-49.338.4-23.9000112.1
217K38.8Very low41.7Very low199 Ų199145.8 Ų145.887%0.86578%0.784SS**  trans172.9173.6138.6-97.3158.2-174.9177.80112.2
218V41.4Very low41.6Very low128 Ų128146.3 Ų146.378%0.77679%0.785SS**  trans91.279.9163.3-164.30000117.7
219T43.6Very low41.2Very low109 Ų109142.9 Ų142.967%0.66979%0.785SS**  trans46.5127.2132.255.10000124.2
220K39.6Very low40.9Very low195 Ų195145.5 Ų145.585%0.84879%0.79SS**  trans59.5106.3130.9-61176-178.7-179.90119.6
221S36Very low40.7Very low108 Ų108147 Ų14776%0.75580%0.797SS**  -171.3128.6114.655.30000111.4
222I40.8Very low40.7Very low171 Ų171144.2 Ų144.288%0.87779%0.791SS**  trans-87.1130.7168.9-65.9168.9000107.6
223T45.6Very low40.8Very low131 Ų131142 Ų14280%0.80478%0.783SS**  trans-123.4110.6170.5-57.50000109.2
224A40.3Very low40.7Very low80 Ų80143.6 Ų143.666%0.66179%0.786SS**PPolyproline II helixtrans-101.1148.9165.200000108.9
225P46.2Very low40.7Very low125 Ų125140 Ų14081%0.81278%0.777SS**PPolyproline II helixtrans-73.8143-170.629.4-35.1000113
226A39Very low40.8Very low93 Ų93135.6 Ų135.677%0.76977%0.772SS**PPolyproline II helixtrans-78.6136.2178.500000112.2
227N38.5Very low40.6Very low168 Ų168139.6 Ų139.690%0.89878%0.779SS**PPolyproline II helixtrans-98.9131162-80.7-48.3000109.1
228I42.9Very low40.6Very low162 Ų162138.7 Ų138.783%0.83178%0.782SS**PPolyproline II helixtrans-93.2150-177.3-66.4175.5000110.9
229S41.9Very low40.6Very low116 Ų116135.7 Ų135.781%0.81178%0.777SS**PPolyproline II helixtrans-71.3161.7-167.745.30000116.8
230K37.2Very low40.7Very low210 Ų210138.1 Ų138.191%0.91379%0.786SS**PPolyproline II helixtrans-90.1157.5178.3-58.1174.5177.4179.30113.6
231A38.1Very low41.1Very low92 Ų92136.6 Ų136.676%0.7678%0.784SS**  trans-139.9125.6148.800000106.9
232K39Very low41.9Very low173 Ų173137.6 Ų137.675%0.75279%0.785SS**  59.6130.393.7-113.3179167.7-117.90112.3
233E42Very low42Very low124 Ų124135 Ų13558%0.57978%0.779SS**  cis-170.8140.927.8-165.5148.1-176.300113.4
234Q39Very low42Very low161 Ų161136.6 Ų136.675%0.75278%0.782SS**  trans58.3173.7152.6-70.1-159.68000122.4
235T39.4Very low42.7Very low106 Ų106138.2 Ų138.265%0.6579%0.786SS**  cis-167.4125.6-38.2-81.40000114.2
236A40.5Very low42.1Very low89 Ų89139.6 Ų139.674%0.73679%0.786SS**  trans60.8157.4153.200000122.5
237K43.7Very low42.2Very low191 Ų191141.1 Ų141.183%0.8379%0.791SS**  cis-171.1173.3-17.9-107.9-177.1178.2-179.40111.1
238L38.3Very low42.3Very low181 Ų181139.1 Ų139.195%0.94879%0.785SS**  trans94139.5171.5-53.6170.8000115.8
239G41.9Very low42Very low64 Ų64136.3 Ų136.366%0.6678%0.78SS**  cis171.9110.8-12.600000116.3
240N45.7Very low41.8Very low161 Ų161136 Ų13686%0.86178%0.778SS**  trans72.2146.5150.1-61.20.9000125
241M46.7Very low41.8Very low163 Ų163132.2 Ų132.280%0.80377%0.772SS**  trans110.190.3158.7-53.8-104.763.400114.6
242V53Low41.8Very low128 Ų128134.1 Ų134.178%0.77678%0.779SS**  103.8144.881149.80000111.7
243P43.8Very low41.7Very low116 Ų116131.1 Ų131.175%0.75378%0.779SS**  trans-114167.6-136.141.1-34.1000118.1
244L44.1Very low41.6Very low166 Ų166133 Ų13387%0.86979%0.794SS**  trans-78157.4167-101.771.2000113
245P55.1Low41.6Very low113 Ų113130.3 Ų130.373%0.73479%0.792SS**  trans-109.1161147.737.1-28.3000112.8
246D35Very low41.9Very low155 Ų155133.1 Ų133.183%0.82980%0.802SS**  trans-72.5155.8-176.1-50.4-78.5000114.7
247S39.9Very low41.7Very low125 Ų125136.7 Ų136.787%0.87480%0.803SS**  -168.6155126.5-84.60000113.1
248T40.6Very low41.6Very low126 Ų126138.7 Ų138.777%0.77381%0.806SS**  trans-95169.5-163.248.90000114.9
249S36.2Very low41.5Very low102 Ų102142 Ų14271%0.71381%0.805SS**  trans62.6110.1146.754.30000117.8
250S38.4Very low41.5Very low110 Ų110143.4 Ų143.477%0.76981%0.806SS**  91.297.767.3171.50000113.4
251T36.4Very low41.4Very low130 Ų130143.4 Ų143.480%0.79879%0.793SS**  trans-160115.9137.323.60000108.8
252C38.1Very low41.2Very low133 Ų133143.4 Ų143.490%0.89979%0.792SS**  trans-127.299.4160.4-72.30000107.1
253S38.6Very low41Very low109 Ų109140.8 Ų140.876%0.76278%0.777SS**  trans-81.9112.4168.6-57.20000107.6
254D40Very low41Very low164 Ų164141.9 Ų141.988%0.87778%0.782SS**  trans-120.3115.3162.5-106-33.7000109.7
255S38.1Very low41.4Very low104 Ų104140.8 Ų140.873%0.72778%0.775SS**  trans-80134.3176.2-56.70000108.9
256I45.1Very low41.3Very low165 Ų165139.7 Ų139.785%0.84677%0.77SS**  trans-160.594.3142.3-92.8138000108.6
257E37.7Very low42.3Very low164 Ų164138.1 Ų138.177%0.76677%0.766SS**  trans-12.6124.8143.5-176.5-179.9-150.300117.1
258R40.5Very low42.8Very low234 Ų234140.8 Ų140.888%0.88376%0.762SS**  -175.2128.4127.4-95.9147.9-160.4-162.34.7114.6
259R37.4Very low43.4Very low249 Ų249141.9 Ų141.994%0.9476%0.759SS**  trans-58.5152.6176.7-79.2164.8152.9168.1-8.3115.7
260S41.6Very low44.2Very low95 Ų95146.9 Ų146.966%0.66476%0.762SS**  150.799.1127.2-1650000111.1
261R44Very low44.7Very low160 Ų160149.1 Ų149.160%0.60476%0.764SS**  71.5125.296.5-74.6-163.2161.5172.8-5.2118.1N644 L646R261-N644 PolarHBondContact NH2-O 3.48Å; R261-L646 WeakPolarHBondContact CD-O 3.16Å; R261-L646 VanDerWaalsContact NH1-N 3.17Å; R261-L646 PolarHBondContact NH1-O 3.14Å
262Q41.9Very low45.5Very low164 Ų164148.3 Ų148.377%0.76676%0.76SS**  trans-104168.7168.4-81.8-84.8-19.200107.6T645Q262-T645 WeakPolarHBondContact O-CG2 3.46Å
263P49.1Very low46Very low72 Ų72150.3 Ų150.347%0.46876%0.758SS.*  cis-156.9-175.941.945.6-24.3000118.9T645P263-T645 HydrophobicContact CG-CG2 4.04Å
264T43.3Very low46.4Very low140 Ų140150.2 Ų150.286%0.85976%0.757SS**  trans-158.5113.9138-3.50000111.1
265I53.3Low46.6Very low143 Ų143154.4 Ų154.473%0.73376%0.76SS**  trans-88.2132.5177-77.9175.3000110.7
266S51.3Low46.8Very low90 Ų90154.4 Ų154.463%0.62976%0.76SS**  trans-75.6152.3-179.6-179.60000112.6F268S266-F268 PolarHBondContact O-N 2.86Å
267V56.2Low46.6Very low122 Ų122153 Ų15374%0.73976%0.759SS**G310 helixtrans-64.4-5-175.2-140.30000114.5
268F50.7Low46.9Very low181 Ų181151.4 Ų151.479%0.79476%0.761SS**G310 helixtrans-83.9-24-167.6-156.5-101.5000115.1S266 R270S266-F268 PolarHBondContact O-N 2.86Å; F268-R270 VanDerWaalsContact C-N 3.29Å; F268-R270 PolarHBondContact O-N 3.08Å
269E54.3Low46.9Very low148 Ų148146.9 Ų146.969%0.69276%0.759SS**G310 helixtrans-77.8-5.2-174-96.6178.7156.900115.2L271E269-L271 PolarHBondContact O-N 3.42Å
270R52.1Low47.2Very low208 Ų208140.1 Ų140.179%0.78575%0.75SS**G310 helixtrans-84.90.6-168.9-135-179.9-60.7-136.60.2115.8F268F268-R270 VanDerWaalsContact C-N 3.29Å; F268-R270 PolarHBondContact O-N 3.08Å
271L48.1Very low47.1Very low156 Ų156139.1 Ų139.182%0.81776%0.755SS**G310 helixtrans-113.1-1.4-167.8-71.2172.3000115.9E269E269-L271 PolarHBondContact O-N 3.42Å
272T54.2Low47.1Very low114 Ų114139 Ų13970%0.69977%0.766SS**SBendtrans-101.3-4.4-170.850.30000115.6
273M48Very low47Very low175 Ų175138.1 Ų138.186%0.86277%0.772SS**SBendtrans-119.518-174.6-69-91.572.100114.7
274S47.7Very low46.7Very low106 Ų106140 Ų14074%0.74178%0.782SS**  trans-138.594.6178.5-600000111.6
275R44.7Very low46.8Very low253 Ų253138.5 Ų138.596%0.95577%0.773SS**  trans-140.464.2168.5-159.2170.1179.2177.2-2.2111.5
276S40.9Very low46.1Very low104 Ų104139 Ų13973%0.72778%0.777SS**  trans-76.2156.1161.641.70000111.3
277V41.4Very low45.8Very low135 Ų135144.4 Ų144.482%0.81879%0.789SS**  trans-34.5129.1178.8-169.30000114.9
278T44.2Very low45.2Very low131 Ų131143.3 Ų143.380%0.80479%0.793SS**  trans-137.6111.9159.636.70000111.3
279T40.2Very low44.6Very low139 Ų139145.3 Ų145.385%0.85380%0.795SS**  trans-89.1113.8164-22.50000107.6
280S44.7Very low44.3Very low107 Ų107143.4 Ų143.475%0.74880%0.795SS**  trans-152.5133.8165.858.50000110
281G39.6Very low43.6Very low74 Ų74136.5 Ų136.576%0.76378%0.783SS**  trans-91.1142.7-18000000111.5
282N42.9Very low43.6Very low157 Ų157137.5 Ų137.584%0.8478%0.783SS**  trans-112.8111.7168.3-87.4-19.2000110.2
283V40.3Very low43Very low145 Ų145137.9 Ų137.988%0.87979%0.79SS**  trans-101.3125.6158.8169.80000106.7
284T42.3Very low42.6Very low112 Ų112135.1 Ų135.169%0.68779%0.788SS**  trans-157.6122.4167.60.40000113.7
285T46.1Very low42.4Very low108 Ų108134.5 Ų134.566%0.66379%0.79SS**  trans68.398.5145.9520000122.2
286N38.6Very low42.2Very low153 Ų153127.8 Ų127.882%0.81878%0.781SS**  52.7112.8110.5-55.9-22.4000120.8
287K45Very low42.3Very low205 Ų205129 Ų12989%0.89179%0.785SS**  -157.5121.5123.7-137.2156.5-175.5169.60116.1
288A44.3Very low42.4Very low98 Ų98127.7 Ų127.781%0.8178%0.776SS**  trans39.4125.5147.400000122.5
289R38Very low42.2Very low223 Ų223130.3 Ų130.384%0.84278%0.779SS**  trans-108.3144.8157.5177-173.2-175.3-152.34.6109.2
290P47.4Very low42.5Very low108 Ų108129.6 Ų129.670%0.70177%0.774SS**  trans-121159.3143.232.1-20.4000111.4
291A37.8Very low42.6Very low63 Ų63129.8 Ų129.852%0.52177%0.773SS.*  trans-129.1134.5-177.700000110.3
292H47.1Very low43.1Very low178 Ų178136.3 Ų136.382%0.82478%0.781SS**  trans-144.3133.7173-63.5-69.8000113.6
293S41.5Very low42.8Very low122 Ų122140.2 Ų140.285%0.85378%0.784SS**  trans69.8117.6147.3-147.30000122.7
294S41.1Very low43Very low116 Ų116138.5 Ų138.581%0.81178%0.775SS**  trans-77.5157168-340000114.7
295A42Very low43.1Very low94 Ų94142 Ų14278%0.77778%0.784SS**  trans-171.9121.9142.500000107.5
296S41.1Very low42.6Very low111 Ų111142.3 Ų142.378%0.77679%0.789SS**  53.8128.580.4-150.50000112.6
297T43.1Very low42.8Very low131 Ų131142.2 Ų142.280%0.80479%0.787SS**  cis-152.2166.739.4-61.20000113.8
298V42.8Very low42.6Very low106 Ų106144 Ų14464%0.64279%0.788SS**  trans-83.3144.9-175.1168.30000114
299H40.2Very low42.3Very low187 Ų187148 Ų14887%0.86679%0.79SS**  -171156.7123-101.2-57.3000114.8
300V46Very low42.5Very low123 Ų123143.4 Ų143.475%0.74579%0.792SS**  trans-132.7-171-165.7-150.40000108.9
301P48.4Very low42.1Very low111 Ų111147.5 Ų147.572%0.72180%0.799SS**  -109.5-179.9-10941.5-27000115
302K49.6Very low42.3Very low212 Ų212156.5 Ų156.592%0.92282%0.819SS**  trans-163.4142.8141.6-112.2160-175.9177.10115
303R36Very low41.9Very low239 Ų239155.7 Ų155.790%0.90282%0.821SS**  trans-116.5179.7160.9-122-174.9-175.6170.41.8105.7
304P45.6Very low42.1Very low108 Ų108153 Ų15370%0.70181%0.812SS**  cis-125.9-176.1-23.138.9-22.8000111.5
305E44.4Very low42.3Very low186 Ų186155.2 Ų155.287%0.86982%0.815SS**  175.3164.9124.3-99.4-170.3163.500112.9
306C35.9Very low42.5Very low115 Ų115156.4 Ų156.478%0.77782%0.818SS**  trans-100.4162.7-177.1-46.90000110.5
307I42.3Very low42.8Very low150 Ų150156.7 Ų156.777%0.76982%0.815SS**  trans167.1131.7134.3-88.7156.1000113.7
308R40.9Very low42.9Very low242 Ų242157.8 Ų157.891%0.91381%0.813SS**  trans58153.2154.2-79.5177.7172.3138.6-0.7124.1
309E36.5Very low43.1Very low183 Ų183159.4 Ų159.486%0.85582%0.817SS**  trans-93.1158.4-177-44.3164.8119.900112
310S42.5Very low43.8Very low126 Ų126155.7 Ų155.788%0.88181%0.81SS**  trans-171.3146.9131.3-87.80000113.4
311K38.6Very low43.9Very low195 Ų195154.3 Ų154.385%0.84881%0.811SS**  trans-84.8156.7176.3-59169.3179.4171.80111.4
312R42.6Very low43.8Very low251 Ų251158 Ų15895%0.94782%0.82SS**  trans-163.6153.6140.8-108.2166.2-160.7169.96112.1
313N39.5Very low43.8Very low161 Ų161153.5 Ų153.586%0.86182%0.816SS**  trans-105.8164.2-173.8-61.1-3.2000112.2
314G46.2Very low44.5Very low65 Ų65152 Ų15267%0.6782%0.816SS**  trans167.2110.1159.800000109.1
315N44.5Very low44.4Very low164 Ų164151.6 Ų151.688%0.87782%0.816SS**  82.6151.167.1-80.316.2000114.1
316S45Very low44.4Very low118 Ų118150.4 Ų150.483%0.82581%0.814SS**  trans82.1138.2179.5-94.50000117.9
317V47.8Very low44.7Very low118 Ų118150.2 Ų150.272%0.71581%0.814SS**  cis-169149.1-11.4103.30000111.8
318M46.4Very low44.6Very low154 Ų154146.5 Ų146.576%0.75981%0.813SS**  trans52.3157.3154.6-63.9-87.5118.800122.2
319L47.3Very low44.8Very low139 Ų139142.6 Ų142.673%0.72881%0.81SS**  cis-168.2-174.2-38.8-118-154.8000108.6
320P53.8Low45.1Very low110 Ų110139.5 Ų139.571%0.71480%0.803SS**  -126.5-162.2-125.849.5-35.8000117.3
321A47.7Very low45.3Very low93 Ų93141 Ų14177%0.76980%0.8SS**  trans108.7136.9168.500000113.5
322M47.7Very low45.4Very low188 Ų188138.8 Ų138.893%0.92679%0.793SS**  cis-135.3158.417.3-60.717478.300113.7
323S49.5Very low45.2Very low119 Ų119134.2 Ų134.283%0.83279%0.786SS**  trans-46.7135.8-174.8-43.40000119.6
324K50Low44.9Very low206 Ų206135.9 Ų135.990%0.89678%0.781SS**  -155.3144.3113.5-101.5176.4-175-176.40111
325S42.7Very low44.6Very low101 Ų101141.3 Ų141.371%0.70679%0.788SS**  trans-61.6142.4-173.138.90000114.6
326I44.3Very low44.2Very low160 Ų160141.4 Ų141.482%0.82178%0.783SS**  70.5126.558.2-61.7166.1000110.9
327S42.2Very low43.9Very low112 Ų112145.6 Ų145.678%0.78379%0.787SS**  cis-156.7145.9145.50000109.8
328G40.8Very low43.2Very low72 Ų72149.7 Ų149.774%0.74280%0.795SS**  111.9136.198.300000109.7
329D45.3Very low42.9Very low160 Ų160147.6 Ų147.686%0.85680%0.795SS**  cis-121.8153.222.4-86.5-36.8000116
330V42.4Very low42.5Very low117 Ų117147.3 Ų147.371%0.70980%0.799SS**  trans-135.6110.8164.2170.80000109.2H332V330-H332 PolarHBondContact O-ND1 3.36Å; V330-H332 VanDerWaalsContact O-ND1 3.1Å
331L46.1Very low41.9Very low157 Ų157149.4 Ų149.482%0.82280%0.804SS**  trans-125.6100.9158.9-70.5177.7000108.2
332H41.6Very low41.6Very low149 Ų149151.1 Ų151.169%0.6981%0.807SS**  62.59087.1-7090.8000110.9V330V330-H332 PolarHBondContact O-ND1 3.36Å; V330-H332 VanDerWaalsContact O-ND1 3.1Å
333L37.6Very low41.2Very low155 Ų155146.7 Ų146.781%0.81279%0.794SS**  63.6131.377.4-170.269.7000114.3
334R33.6Very low40.8Very low196 Ų196150.2 Ų150.274%0.7480%0.795SS**  trans84.4106.8160.2-172.7-178.9-81.8165.5-8117.3
335H39.9Very low40.4Very low180 Ų180145.5 Ų145.583%0.83379%0.785SS**  -174.5108.1118.5-81.9-60.5000107.1
336Q36.4Very low40.6Very low165 Ų165148.6 Ų148.677%0.77179%0.793SS**  51.988.468.9-74.5-88.721.300114.8
337K39.3Very low40.6Very low206 Ų206146 Ų14690%0.89679%0.789SS**  -175.7158.9114.4-102.2173.4179.5179.50113.9
338K33.3Very low40.8Very low205 Ų205146.3 Ų146.389%0.89179%0.788SS**  trans-97.9151.2-178.6-57.5171.1177.6179.30111.7
339S38.4Very low41.4Very low110 Ų110148.1 Ų148.177%0.76979%0.787SS**  trans-151.4102.7144.6520000107.3
340V39.4Very low41Very low133 Ų133145.7 Ų145.781%0.80678%0.782SS**  75.2105.687.1171.60000111.6
341L42Very low41.3Very low154 Ų154150.1 Ų150.181%0.80679%0.788SS**  trans-67.5163.4161.1-67.6161.5000109.7
342P41.8Very low41.1Very low129 Ų129147.7 Ų147.784%0.83878%0.781SS**  -138.8175.2101.237.7-25.8000113.9
343S38.4Very low40.9Very low94 Ų94146 Ų14666%0.65778%0.782SS**  trans-131.2154.6-166.347.90000112.9
344K40.3Very low40.8Very low194 Ų194147.6 Ų147.684%0.84378%0.782SS**  trans68.8172.5163.4-61.5179.6173.7-178.80116.2
345P43.4Very low41.2Very low106 Ų106145.7 Ų145.769%0.68879%0.785SS**  -135.4-178.2-70.739.1-21.8000112.5
346L45.1Very low41Very low167 Ų167145.3 Ų145.387%0.87478%0.784SS**  trans179.3164.7132.2-117.274.8000112.8
347S45.4Very low41Very low106 Ų106145.8 Ų145.874%0.74179%0.786SS**PPolyproline II helixtrans-85.8168.5-170.4450000115.7
348P46.7Very low41.2Very low117 Ų117141.5 Ų141.576%0.7678%0.779SS**PPolyproline II helixtrans-95.7167-168.538.6-36.5000114.6
349P52.9Low41.5Very low110 Ų110139.3 Ų139.371%0.71477%0.772SS**PPolyproline II helixtrans-90.3133.2166.134.3-29.8000112.2Y351P349-Y351 HydrophobicContact CB-CE2 4.35Å
350S36.2Very low41.4Very low109 Ų109140 Ų14076%0.76277%0.772SS**PPolyproline II helixtrans-91.8141.1163.4178.30000109.6
351Y48.8Very low41.4Very low210 Ų210138.1 Ų138.182%0.82477%0.77SS**  trans-132.5142.1160.4-78.9-75.5000110.4P349P349-Y351 HydrophobicContact CB-CE2 4.35Å
352P41.8Very low41.2Very low107 Ų107139 Ų13970%0.69577%0.774SS**  trans-104.7169-168.939.4-34.3000113.4
353T37.7Very low41.1Very low114 Ų114138.3 Ų138.370%0.69977%0.772SS**  157.4109.4120.9-68.10000113.4
354K36.6Very low41.2Very low188 Ų188138.9 Ų138.982%0.81778%0.776SS**  trans49160.7142.4-56.9179177.4-176.40122.7
355I40.8Very low41.5Very low155 Ų155137.3 Ų137.380%0.79578%0.776SS**  trans80131.9161.3-46.8-179.8000113.9
356Q36.1Very low42Very low173 Ų173138 Ų13881%0.80878%0.78SS**  cis-172.2136.6-21.9172.3166-13.400106
357E35.5Very low41.9Very low175 Ų175135.4 Ų135.482%0.81877%0.774SS**  trans-71.9153.6172.3-74-156.7163.500112
358P44.7Very low41.6Very low115 Ų115138 Ų13875%0.74778%0.779SS**  -143.4136.2111.935.9-21.3000115.8
359E38.6Very low41.7Very low159 Ų159138.3 Ų138.374%0.74378%0.781SS**  48.3143.5124-70.5-79.4158.700122.7
360T37.2Very low40.8Very low125 Ų125141.8 Ų141.877%0.76779%0.787SS**  trans65.9110.5156.754.90000120.8
361A39.6Very low40.7Very low94 Ų94142.4 Ų142.478%0.77779%0.792SS**  173.6113.910200000114.5
362I38Very low40.4Very low172 Ų172138.5 Ų138.588%0.88280%0.795SS**  trans-16.8157.8149.431.4171.5000120.6
363S38.5Very low40.1Very low115 Ų115138.9 Ų138.980%0.80480%0.8SS**  trans103.9132.8166.8-160.80000114.8
364S42.1Very low40.5Very low106 Ų106143.1 Ų143.174%0.74181%0.812SS**  cis-161.5156-5.927.60000111.5
365L45.5Very low40.6Very low160 Ų160139.4 Ų139.484%0.83881%0.81SS**  trans-81169.5172.2-96.3125.3000112.7
366P54.6Low40.7Very low120 Ų120141.1 Ų141.178%0.77981%0.814SS**  -134.2159.4121.237.6-28.9000115
367P42.1Very low41Very low114 Ų114137.3 Ų137.374%0.7481%0.807SS**  trans-113.4179.2-167.241.5-31.3000116
368L39.1Very low41.2Very low161 Ų161135.5 Ų135.584%0.84381%0.808SS**  trans-67.8155172.8-80.579.6000113.4
369P50Low41.1Very low123 Ų123133.9 Ų133.980%0.79980%0.803SS**  trans-108.5140.2157.235.9-26.5000113.2
370Q34.4Very low41.2Very low183 Ų183135.1 Ų135.186%0.85581%0.809SS**  trans-121.9141158.8-75.3-170.5-75.800109.8
371S33.6Very low41.4Very low122 Ų122135.2 Ų135.285%0.85381%0.81SS**  trans48.2121.215957.60000120.6
372S41Very low41.5Very low127 Ų127134.3 Ų134.389%0.88880%0.802SS**  trans-137.3137.7150.457.10000109.8
373S37.4Very low41.8Very low115 Ų115134.9 Ų134.980%0.80480%0.801SS**  trans-92.9149.7-179.150.10000112.7
374E44.5Very low42Very low203 Ų203136.1 Ų136.195%0.94980%0.799SS**  trans-132157.2158.6-74.8-170.114900110.6
375S39.1Very low42.1Very low111 Ų111137.9 Ų137.978%0.77680%0.798SS**  trans-136.2140.8-15754.90000112.6
376E43.4Very low41.7Very low191 Ų191135.4 Ų135.489%0.89379%0.794SS**  trans-177.1153158.7-105.7174.2-17000108.9
377S41.3Very low41.1Very low93 Ų93137.5 Ų137.565%0.6580%0.797SS**  cis-170.3168.4-3254.10000110.7
378V41.4Very low40.7Very low137 Ų137136.3 Ų136.383%0.8380%0.797SS**  trans91.3130.7156.7-177.10000121.8
379A42.5Very low40.7Very low80 Ų80134.9 Ų134.966%0.66180%0.795SS**  trans68.1104.916400000118
380Q41.1Very low40.5Very low185 Ų185134.4 Ų134.486%0.86479%0.789SS**  59.4134.655.4-53.5-173.1-36.700112.6
381V40.7Very low40.9Very low128 Ų128131.7 Ų131.778%0.77679%0.788SS**  cis-154.1131.545.4161.20000110.9
382A41.4Very low41.1Very low74 Ų74131.4 Ų131.461%0.61278%0.784SS**  trans46.2165.2134.500000122.4
383E44.8Very low41.1Very low185 Ų185132.7 Ų132.786%0.86478%0.781SS**  cis-170.4157.5-15.9-100.9153.1-134.300104.9
384D43Very low41Very low141 Ų141133.9 Ų133.975%0.75478%0.779SS**  cis-169.4-172.5-23.1-173.423.8000107.9
385I43.2Very low40.7Very low143 Ų143132.7 Ų132.773%0.73377%0.771SS**  trans84.9115157.4-62.5158.7000117.7
386S37.4Very low40.6Very low107 Ų107132 Ų13275%0.74877%0.772SS**  trans-71.7157.4166.6-58.70000113.2
387I41Very low40.5Very low164 Ų164128.5 Ų128.584%0.84177%0.765SS**  trans-156.7135.6133.2-96.8142.6000108.4
388A34.6Very low40.2Very low90 Ų90129.6 Ų129.674%0.74477%0.773SS**  trans-85.1148.5176.800000111.7
389T38.2Very low40.8Very low130 Ų130128.7 Ų128.780%0.79877%0.77SS**  trans-166.9120.7149.4-79.60000111.3
390V47.1Very low40.5Very low113 Ų113130.6 Ų130.669%0.68578%0.779SS**  trans34.8129145-172.70000120.5
391P42.4Very low40.5Very low126 Ų126126.9 Ų126.982%0.81877%0.773SS**  trans-82.6118.8167.433.8-30.6000111.5
392C38.4Very low40.1Very low116 Ų116130.1 Ų130.178%0.78478%0.78SS**  trans-127141.8163.9-85.90000110.5
393N40Very low39.8Very low154 Ų154132.4 Ų132.482%0.82479%0.786SS**  trans-58.6140165-57.8-51.3000109.3
394D36.2Very low39.4Very low140 Ų140130.3 Ų130.375%0.74978%0.781SS**  trans-168.4145133.3-101.2-24.7000113.5
395F36.8Very low38.8Very low179 Ų179129.5 Ų129.579%0.78578%0.781SS**  trans30.2113.2156.7-72.5-93.2000120.5P397F395-P397 VanDerWaalsContact O-CD 3.3Å; F395-P397 WeakPolarHBondContact O-CD 3.45Å
396A37.3Very low38.6Very low97 Ų97128.5 Ų128.580%0.80278%0.781SS**PPolyproline II helixtrans-58.7119.1154.400000110.7
397P41.7Very low38.7Very low116 Ų116130.1 Ų130.175%0.75378%0.775SS**PPolyproline II helixtrans-84.4132.1176.232.7-30.7000109.9F395 P399F395-P397 VanDerWaalsContact O-CD 3.3Å; F395-P397 WeakPolarHBondContact O-CD 3.45Å; P397-P399 VanDerWaalsContact O-CD 3.28Å; P397-P399 WeakPolarHBondContact O-CD 3.41Å
398S35.2Very low38.5Very low117 Ų117129.5 Ų129.582%0.81877%0.773SS**PPolyproline II helixtrans-72.3120.5171.2-63.70000110.6S400S398-S400 PolarHBondContact O-N 2.79Å
399P53Low38.3Very low118 Ų118132.4 Ų132.477%0.76677%0.772SS**  trans-92.192.8168.533-24.2000109.4P397 S401P397-P399 VanDerWaalsContact O-CD 3.28Å; P397-P399 WeakPolarHBondContact O-CD 3.41Å; P399-S401 PolarHBondContact O-N 2.86Å
400S36.1Very low38.3Very low120 Ų120132.3 Ų132.384%0.83977%0.771SS**  trans-64.997.9158.2-80.20000108.7S398S398-S400 PolarHBondContact O-N 2.79Å
401S41.2Very low37.9Very low107 Ų107131.6 Ų131.675%0.74877%0.771SS**  trans-149.4125.4165.5-81.50000111.4P399 V403P399-S401 PolarHBondContact O-N 2.86Å; S401-V403 PolarHBondContact O-N 3.16Å
402Q33.8Very low37.6Very low195 Ų195130.6 Ų130.691%0.91177%0.767SS**  trans-74112.4-172.9-57.9162.212.700110.2
403V34.9Very low37.9Very low122 Ų122132.1 Ų132.174%0.73977%0.766SS**  trans-139.597.7163.1-171.60000110.9S401S401-V403 PolarHBondContact O-N 3.16Å
404N35.5Very low37.9Very low142 Ų142131.3 Ų131.376%0.75976%0.76SS**  trans4680145-55.2-19000118.1V406N404-V406 VanDerWaalsContact C-N 3.34Å; N404-V406 PolarHBondContact O-N 3.46Å
405T30.2Very low38.5Very low123 Ų123129.1 Ų129.176%0.75575%0.753SS**  trans-6693.8153.3-46.60000109.6K407T405-K407 HydrophobicContact CG2-CG 3.79Å; T405-K407 PolarHBondContact O-N 2.85Å
406V39.9Very low38.9Very low122 Ų122129.7 Ų129.774%0.73976%0.758SS**  trans-71.884.8164.9-177.60000108N404 N408N404-V406 VanDerWaalsContact C-N 3.34Å; N404-V406 PolarHBondContact O-N 3.46Å; V406-N408 PolarHBondContact O-N 3.02Å
407K39.4Very low39.5Very low142 Ų142130.8 Ų130.862%0.61775%0.75SS**  trans-67.5121.7162.7-64.5-178.2-176.9173.30107.1T405 E409T405-K407 HydrophobicContact CG2-CG 3.79Å; T405-K407 PolarHBondContact O-N 2.85Å; K407-E409 HydrophobicContact CB-CG 3.74Å; K407-E409 WeakPolarHBondContact CD-OE1 3.31Å; K407-E409 PolarHBondContact O-N 3.07Å
408N35.7Very low40.2Very low151 Ų151127.8 Ų127.881%0.80774%0.739SS**  trans-70.480.8163.7-87.2-7.9000108.6V406 T410V406-N408 PolarHBondContact O-N 3.02Å; N408-T410 VanDerWaalsContact C-N 3.27Å; N408-T410 PolarHBondContact O-N 2.89Å
409E32.2Very low41Very low151 Ų151128.6 Ų128.671%0.70674%0.742SS**  trans-76.380.3173.4-60.9-157172.600109.9K407 S411K407-E409 HydrophobicContact CB-CG 3.74Å; K407-E409 WeakPolarHBondContact CD-OE1 3.31Å; K407-E409 PolarHBondContact O-N 3.07Å; E409-S411 PolarHBondContact O-N 3.34Å
410T37.6Very low40.9Very low128 Ų128129.1 Ų129.179%0.78574%0.737SS**  trans-7776.8164.9-50.10000109.8N408 S412N408-T410 VanDerWaalsContact C-N 3.27Å; N408-T410 PolarHBondContact O-N 2.89Å; T410-S412 PolarHBondContact O-N 2.81Å
411S39Very low41.6Very low97 Ų97133 Ų13368%0.67874%0.739SS**  trans45.958.9143-47.50000117.7E409 I413E409-S411 PolarHBondContact O-N 3.34Å; S411-I413 PolarHBondContact O-N 2.85Å
412S36.4Very low42Very low106 Ų106131.5 Ų131.574%0.74173%0.733SS**  trans-79.268.6159.9178.90000110.7T410 I414T410-S412 PolarHBondContact O-N 2.81Å; S412-I414 PolarHBondContact O-N 3.38Å
413I43.5Very low42.6Very low147 Ų147129.6 Ų129.675%0.75472%0.724SS**  trans-67.5113.8167.9-63.7175.4000107.4S411 P415S411-I413 PolarHBondContact O-N 2.85Å; I413-P415 WeakPolarHBondContact O-CD 3.37Å
414I40.5Very low43.6Very low137 Ų137129 Ų12970%0.70372%0.721SS**  trans-93.5107.6172.3-61.4171.7000107.7S412 Q416S412-I414 PolarHBondContact O-N 3.38Å; I414-Q416 PolarHBondContact O-N 2.93Å
415P49.7Very low44.1Very low94 Ų94130 Ų13061%0.6172%0.72SS**  trans-80.7101.1163.710.97.7000107.1I413 I417I413-P415 WeakPolarHBondContact O-CD 3.37Å; P415-I417 HydrophobicContact CB-CD1 3.85Å; P415-I417 HydrophobicContact CB-CG1 4.03Å; P415-I417 PolarHBondContact O-N 2.98Å
416Q44.5Very low45.2Very low191 Ų191128.3 Ų128.389%0.89371%0.714SS**  trans-70.275.6171.2-172.3-179.18.800109.5I414I414-Q416 PolarHBondContact O-N 2.93Å
417I50.7Low45.7Very low121 Ų121128.6 Ų128.662%0.62172%0.722SS**  trans-113.3112.1-179.7-60.6177000107.5P415 I420P415-I417 HydrophobicContact CB-CD1 3.85Å; P415-I417 HydrophobicContact CB-CG1 4.03Å; P415-I417 PolarHBondContact O-N 2.98Å; I417-I420 HydrophobicContact CG2-CD1 3.56Å; I417-I420 HydrophobicContact CG2-CG1 3.95Å
418G54.8Low46.4Very low52 Ų52124.7 Ų124.754%0.53672%0.721SS.*  trans-65-176.8175.600000112.6I420G418-I420 PolarHBondContact O-N 3.37Å
419P53.1Low46.8Very low134 Ų134127 Ų12787%0.8773%0.727SS**  trans-70.677.1-178.130.4-35.6000111.6K421P419-K421 PolarHBondContact O-N 2.98Å; P419-K421 VanDerWaalsContact O-N 3.16Å
420I51Low47.7Very low130 Ų130122.5 Ų122.567%0.66772%0.722SS**  trans-66.5113.2169.5-62-177.6000106.9I417 G418 A422I417-I420 HydrophobicContact CG2-CD1 3.56Å; I417-I420 HydrophobicContact CG2-CG1 3.95Å; G418-I420 PolarHBondContact O-N 3.37Å; I420-A422 PolarHBondContact O-N 3.27Å
421K50.2Low48.6Very low200 Ų200121.1 Ų121.187%0.8772%0.723SS**  trans-68.878.2169.5-63.6177.7-178.6177.90108.6P419 Q423P419-K421 PolarHBondContact O-N 2.98Å; P419-K421 VanDerWaalsContact O-N 3.16Å; K421-Q423 VanDerWaalsContact C-N 3.3Å; K421-Q423 PolarHBondContact O-N 3.42Å
422A50.3Low49.7Very low76 Ų76123 Ų12363%0.62873%0.73SS**  trans-69.190173.900000108.9I420 T424I420-A422 PolarHBondContact O-N 3.27Å; A422-T424 PolarHBondContact O-N 3.12Å; A422-T424 PolarHBondContact O-OG1 2.95Å
423Q45.8Very low51Low155 Ų155122 Ų12272%0.72472%0.716SS**  trans-76.472.5173.9-170.4178.51.900108.9K421 H425K421-Q423 VanDerWaalsContact C-N 3.3Å; K421-Q423 PolarHBondContact O-N 3.42Å; Q423-H425 PolarHBondContact NE2-NE2 3.27Å; Q423-H425 VanDerWaalsContact NE2-NE2 3.1Å; Q423-H425 PolarHBondContact O-N 2.82Å
424T55Low52.6Low111 Ų111117.7 Ų117.768%0.68170%0.699SS**  trans-74.687.9-177.7-22.80000110.2A422 S426A422-T424 PolarHBondContact O-N 3.12Å; A422-T424 PolarHBondContact O-OG1 2.95Å; T424-S426 PolarHBondContact O-N 2.93Å
425H46.7Very low54.6Low161 Ų161118.8 Ų118.875%0.74570%0.701SS**  trans-70.667.2161.1-69.1-81.2000109.6Q423Q423-H425 PolarHBondContact NE2-NE2 3.27Å; Q423-H425 VanDerWaalsContact NE2-NE2 3.1Å; Q423-H425 PolarHBondContact O-N 2.82Å
426S54.5Low56.4Low88 Ų88119.8 Ų119.862%0.61570%0.701SS**  trans-100.893.4170.956.50000109T424 G428T424-S426 PolarHBondContact O-N 2.93Å; S426-G428 PolarHBondContact O-N 2.83Å
427S49.3Very low58.5Low129 Ų129115 Ų11590%0.90268%0.679SS**  trans-67.568160.555.10000109.5
428G53.3Low60.2Low59 Ų59110.7 Ų110.761%0.60866%0.662SS**  trans-92.3116.5167.800000107.7S426 G430S426-G428 PolarHBondContact O-N 2.83Å; G428-G430 PolarHBondContact O-N 3.19Å
429E44.6Very low61.9Low199 Ų199113.2 Ų113.293%0.9366%0.66SS**  trans-66.582.5174-159.6169.7-16100108.3A431E429-A431 PolarHBondContact O-N 2.85Å
430G52Low63.6Low58 Ų58111.9 Ų111.960%0.59864%0.644SS**  trans-65.2106.1-177.500000108.5G428 V432G428-G430 PolarHBondContact O-N 3.19Å; G430-V432 VanDerWaalsContact C-N 3.35Å; G430-V432 WeakPolarHBondContact O-CG2 3.45Å; G430-V432 PolarHBondContact O-N 3.37Å
431A55.2Low65.5Low98 Ų98112 Ų11281%0.8164%0.637SS**  trans-54102.2171.500000108.2E429 L433E429-A431 PolarHBondContact O-N 2.85Å; A431-L433 VanDerWaalsContact C-N 3.32Å; A431-L433 PolarHBondContact O-N 3.2Å
432V62Low67.4Low136 Ų136111.1 Ų111.182%0.82463%0.628SS**  trans-68.198178.41800000105.7G430 S434G430-V432 VanDerWaalsContact C-N 3.35Å; G430-V432 WeakPolarHBondContact O-CG2 3.45Å; G430-V432 PolarHBondContact O-N 3.37Å; V432-S434 PolarHBondContact O-N 3.12Å
433L64.5Low69.4Low86 Ų86110.3 Ų110.345%0.4562%0.622SS.*  trans-43.8129.3163.5-79.7166.8000107A431 E435 E437 Y441A431-L433 VanDerWaalsContact C-N 3.32Å; A431-L433 PolarHBondContact O-N 3.2Å; L433-E435 PolarHBondContact O-N 3.16Å; L433-E437 HydrophobicContact CB-CB 4.29Å; L433-E437 HydrophobicContact CD2-CB 4.19Å; L433-Y441 HydrophobicContact CD1-CD2 3.97Å; L433-Y441 HydrophobicContact CD1-CE2 3.79Å; L433-Y441 HydrophobicContact CD2-CE2 4.16Å
434S78Confident71.9Confident57 Ų57109.6 Ų109.640%0.39962%0.616SS.*  trans-54.1147-177.562.30000109.1V432 N436 E437 A438V432-S434 PolarHBondContact O-N 3.12Å; S434-N436 PolarHBondContact O-N 3.16Å; S434-E437 WeakPolarHBondContact CB-OE2 3.38Å; S434-E437 PolarHBondContact N-OE2 2.98Å; S434-E437 WeakPolarHBondContact O-CA 3.2Å; S434-E437 WeakPolarHBondContact O-CB 3.37Å; S434-E437 PolarHBondContact O-N 3.38Å; S434-E437 VanDerWaalsContact OG-CD 3.25Å; S434-E437 VanDerWaalsContact OG-CG 3.27Å; S434-E437 WeakPolarHBondContact OG-CG 3.28Å; S434-E437 PolarHBondContact OG-N 3.17Å; S434-E437 PolarHBondContact OG-OE2 2.87Å; S434-A438 PolarHBondContact O-N 2.91Å
435E81.7Confident73.6Confident159 Ų159109.6 Ų109.674%0.74361%0.612SS**Hα-helixtrans-50.6-38.9-175.4-174.6166.5-149.500111.7L433 A438 E439L433-E435 PolarHBondContact O-N 3.16Å; E435-A438 PolarHBondContact O-N 2.9Å; E435-E439 WeakPolarHBondContact O-CG 3.32Å; E435-E439 PolarHBondContact O-N 3.43Å
436N87Confident75.8Confident115 Ų115109 Ų10962%0.61561%0.607SS**Hα-helixtrans-60.6-43.5173.7-151.214.4000113.4S434 E439 I440S434-N436 PolarHBondContact O-N 3.16Å; N436-E439 PolarHBondContact O-N 3.26Å; N436-I440 VanDerWaalsContact O-CG1 3.3Å; N436-I440 WeakPolarHBondContact O-CG1 3.46Å; N436-I440 PolarHBondContact O-N 2.94Å; N436-I440 VanDerWaalsContact O-N 3.08Å
437E88.5Confident77.6Confident90 Ų90110.4 Ų110.442%0.42160%0.604SS.*Hα-helixtrans-68.2-41.7173.6-71.8165.4130.500112L433 S434 E439 I440 Y441L433-E437 HydrophobicContact CB-CB 4.29Å; L433-E437 HydrophobicContact CD2-CB 4.19Å; S434-E437 WeakPolarHBondContact CB-OE2 3.38Å; S434-E437 PolarHBondContact N-OE2 2.98Å; S434-E437 WeakPolarHBondContact O-CA 3.2Å; S434-E437 WeakPolarHBondContact O-CB 3.37Å; S434-E437 PolarHBondContact O-N 3.38Å; S434-E437 VanDerWaalsContact OG-CD 3.25Å; S434-E437 VanDerWaalsContact OG-CG 3.27Å; S434-E437 WeakPolarHBondContact OG-CG 3.28Å; S434-E437 PolarHBondContact OG-N 3.17Å; S434-E437 PolarHBondContact OG-OE2 2.87Å; E437-E439 VanDerWaalsContact C-N 3.25Å; E437-E439 PolarHBondContact O-N 3.48Å; E437-I440 WeakPolarHBondContact O-CB 3.31Å; E437-I440 PolarHBondContact O-N 3.37Å; E437-I440 VanDerWaalsContact O-N 3.14Å; E437-Y441 WeakPolarHBondContact O-CD2 3.4Å; E437-Y441 PolarHBondContact O-N 2.87Å
438A87Confident79.7Confident31 Ų31110.4 Ų110.426%0.25659%0.59SS.*Hα-helixtrans-61.2-36.217700000111.7S434 E435 Y441 R442S434-A438 PolarHBondContact O-N 2.91Å; E435-A438 PolarHBondContact O-N 2.9Å; A438-Y441 PolarHBondContact O-N 2.69Å; A438-R442 VanDerWaalsContact O-CG 3.3Å; A438-R442 WeakPolarHBondContact O-CG 3.34Å; A438-R442 PolarHBondContact O-N 2.94Å
439E89.6Confident81.6Confident106 Ų106117 Ų11750%0.49560%0.596SS.*Hα-helixtrans-67.2-41.8171.9-74.1-177.7158.700112.7E435 N436 E437 Y441 R442 A443E435-E439 WeakPolarHBondContact O-CG 3.32Å; E435-E439 PolarHBondContact O-N 3.43Å; N436-E439 PolarHBondContact O-N 3.26Å; E437-E439 VanDerWaalsContact C-N 3.25Å; E437-E439 PolarHBondContact O-N 3.48Å; E439-Y441 VanDerWaalsContact C-N 3.32Å; E439-Y441 PolarHBondContact O-N 3.29Å; E439-R442 PolarHBondContact O-N 2.82Å; E439-A443 WeakPolarHBondContact O-CB 3.46Å; E439-A443 PolarHBondContact O-N 3.04Å
440I90Very high83.9Confident106 Ų106115.7 Ų115.754%0.54458%0.583SS.*Hα-helixtrans-59-43173.3-67.8164.8000110.9N436 E437 A443 K444N436-I440 VanDerWaalsContact O-CG1 3.3Å; N436-I440 WeakPolarHBondContact O-CG1 3.46Å; N436-I440 PolarHBondContact O-N 2.94Å; N436-I440 VanDerWaalsContact O-N 3.08Å; E437-I440 WeakPolarHBondContact O-CB 3.31Å; E437-I440 PolarHBondContact O-N 3.37Å; E437-I440 VanDerWaalsContact O-N 3.14Å; I440-A443 PolarHBondContact O-N 2.88Å; I440-K444 WeakPolarHBondContact O-CB 3.4Å; I440-K444 PolarHBondContact O-N 2.89Å
441Y89.4Confident85.7Confident133 Ų133116.8 Ų116.852%0.52257%0.574SS.*Hα-helixtrans-64.3-42175.5-78.6-70.7000112.7L433 E437 A438 E439 K444 L445L433-Y441 HydrophobicContact CD1-CD2 3.97Å; L433-Y441 HydrophobicContact CD1-CE2 3.79Å; L433-Y441 HydrophobicContact CD2-CE2 4.16Å; E437-Y441 WeakPolarHBondContact O-CD2 3.4Å; E437-Y441 PolarHBondContact O-N 2.87Å; A438-Y441 PolarHBondContact O-N 2.69Å; E439-Y441 VanDerWaalsContact C-N 3.32Å; E439-Y441 PolarHBondContact O-N 3.29Å; Y441-K444 PolarHBondContact O-N 2.9Å; Y441-L445 PolarHBondContact O-N 3.41Å
442R90.7Very high87.5Confident180 Ų180114.6 Ų114.668%0.67956%0.556SS**Hα-helixtrans-63-44.5175.1-73.1170.4179.5-174.72.6111.8A438 E439 L445 F446A438-R442 VanDerWaalsContact O-CG 3.3Å; A438-R442 WeakPolarHBondContact O-CG 3.34Å; A438-R442 PolarHBondContact O-N 2.94Å; E439-R442 PolarHBondContact O-N 2.82Å; R442-L445 PolarHBondContact O-N 3.39Å; R442-F446 PolarHBondContact O-N 3.34Å
443A93.2Very high89Confident60 Ų60115 Ų11550%0.49655%0.547SS..Hα-helixtrans-61.7-46177.200000111.4E439 I440 L445 F446 E447E439-A443 WeakPolarHBondContact O-CB 3.46Å; E439-A443 PolarHBondContact O-N 3.04Å; I440-A443 PolarHBondContact O-N 2.88Å; A443-L445 PolarHBondContact O-N 3.27Å; A443-F446 PolarHBondContact O-N 2.91Å; A443-E447 WeakPolarHBondContact O-CB 3.25Å; A443-E447 PolarHBondContact O-N 2.87Å
444K96.7Very high90.3Very high140 Ų140115.7 Ų115.761%0.60955%0.548SS*.Hα-helixtrans-61.8-40.3177.7-171.8173.3-176.9175.60112.8I440 Y441 Q448I440-K444 WeakPolarHBondContact O-CB 3.4Å; I440-K444 PolarHBondContact O-N 2.89Å; Y441-K444 PolarHBondContact O-N 2.9Å; K444-Q448 VanDerWaalsContact O-CB 3.3Å; K444-Q448 WeakPolarHBondContact O-CB 3.41Å; K444-Q448 PolarHBondContact O-N 2.88Å
445L92.7Very high90.8Very high111 Ų111121.8 Ų121.858%0.58156%0.562SS**Hα-helixtrans-65.9-39.9173.6-82.2165.8000112.5Y441 R442 A443 R449Y441-L445 PolarHBondContact O-N 3.41Å; R442-L445 PolarHBondContact O-N 3.39Å; A443-L445 PolarHBondContact O-N 3.27Å; L445-R449 WeakPolarHBondContact O-CB 3.5Å; L445-R449 PolarHBondContact O-N 3.25Å
446F91Very high91.1Very high149 Ų149120.2 Ų120.265%0.65456%0.556SS**Hα-helixtrans-66.7-43176.2-172.8-91.8000111.8R442 A443 R449 R450R442-F446 PolarHBondContact O-N 3.34Å; A443-F446 PolarHBondContact O-N 2.91Å; F446-R449 PolarHBondContact O-N 3.04Å; F446-R450 WeakPolarHBondContact O-CB 3.42Å; F446-R450 PolarHBondContact O-N 3.24Å
447E93.2Very high91.3Very high117 Ų117120.8 Ų120.855%0.54756%0.555SS.*Hα-helixtrans-63-45.6175-174.5177-15600111.6A443 R449 R450 L451A443-E447 WeakPolarHBondContact O-CB 3.25Å; A443-E447 PolarHBondContact O-N 2.87Å; E447-R449 VanDerWaalsContact C-N 3.3Å; E447-R449 PolarHBondContact O-N 3.45Å; E447-R450 WeakPolarHBondContact O-CB 3.44Å; E447-R450 PolarHBondContact O-N 2.84Å; E447-R450 VanDerWaalsContact O-N 3.1Å; E447-L451 HydrophobicContact CG-CD1 4.09Å; E447-L451 HydrophobicContact CG-CG 4.43Å; E447-L451 WeakPolarHBondContact O-CG 3.28Å; E447-L451 PolarHBondContact O-N 2.82Å
448Q94Very high91.2Very high129 Ų129121.5 Ų121.560%0.60356%0.558SS**Hα-helixtrans-59.1-41.5175.4-169179.936.900111.5K444 L451 A452K444-Q448 VanDerWaalsContact O-CB 3.3Å; K444-Q448 WeakPolarHBondContact O-CB 3.41Å; K444-Q448 PolarHBondContact O-N 2.88Å; Q448-L451 PolarHBondContact O-N 3.29Å; Q448-A452 VanDerWaalsContact O-CB 3.31Å; Q448-A452 WeakPolarHBondContact O-CB 3.35Å; Q448-A452 PolarHBondContact O-N 3.26Å
449R92Very high91.3Very high198 Ų198126.1 Ų126.175%0.74758%0.575SS**Hα-helixtrans-66.5-37.4174.5-172.4177.6-69.6-171.5-1.7112.3L445 F446 E447 K453L445-R449 WeakPolarHBondContact O-CB 3.5Å; L445-R449 PolarHBondContact O-N 3.25Å; F446-R449 PolarHBondContact O-N 3.04Å; E447-R449 VanDerWaalsContact C-N 3.3Å; E447-R449 PolarHBondContact O-N 3.45Å; R449-K453 WeakPolarHBondContact O-CB 3.43Å; R449-K453 PolarHBondContact O-N 2.87Å
450R92.8Very high91.3Very high171 Ų171127.4 Ų127.465%0.64558%0.579SS**Hα-helixtrans-65-47174.7179.5-178.3172.2179-2111.4F446 E447 K453 Q454F446-R450 WeakPolarHBondContact O-CB 3.42Å; F446-R450 PolarHBondContact O-N 3.24Å; E447-R450 WeakPolarHBondContact O-CB 3.44Å; E447-R450 PolarHBondContact O-N 2.84Å; E447-R450 VanDerWaalsContact O-N 3.1Å; R450-K453 PolarHBondContact O-N 3.49Å; R450-Q454 WeakPolarHBondContact O-CB 3.39Å; R450-Q454 PolarHBondContact O-N 3.41Å
451L90.8Very high91.2Very high81 Ų81130.8 Ų130.842%0.42459%0.585SS.*Hα-helixtrans-64.9-40.5177.8-71.4171.7000111.8E447 Q448 Q454 R455E447-L451 HydrophobicContact CG-CD1 4.09Å; E447-L451 HydrophobicContact CG-CG 4.43Å; E447-L451 WeakPolarHBondContact O-CG 3.28Å; E447-L451 PolarHBondContact O-N 2.82Å; Q448-L451 PolarHBondContact O-N 3.29Å; L451-Q454 PolarHBondContact O-N 2.91Å; L451-R455 WeakPolarHBondContact O-CG 3.35Å; L451-R455 PolarHBondContact O-N 3.39Å
452A92.3Very high91.1Very high52 Ų52132.9 Ų132.943%0.4359%0.592SS.*Hα-helixtrans-61.4-45.9173.200000111.7Q448 Q454 R455 M456Q448-A452 VanDerWaalsContact O-CB 3.31Å; Q448-A452 WeakPolarHBondContact O-CB 3.35Å; Q448-A452 PolarHBondContact O-N 3.26Å; A452-Q454 PolarHBondContact O-N 3.14Å; A452-R455 PolarHBondContact O-N 3.45Å; A452-M456 WeakPolarHBondContact O-CG 3.26Å; A452-M456 PolarHBondContact O-N 2.84Å; A452-M456 VanDerWaalsContact O-N 3.08Å
453K93.8Very high90.9Very high144 Ų144129 Ų12963%0.62658%0.584SS**Hα-helixtrans-61.4-43.2174.8-174.4-178.1175-172.80111.8R449 R450 M456 E457R449-K453 WeakPolarHBondContact O-CB 3.43Å; R449-K453 PolarHBondContact O-N 2.87Å; R450-K453 PolarHBondContact O-N 3.49Å; K453-M456 PolarHBondContact O-N 2.99Å; K453-E457 WeakPolarHBondContact O-CB 3.47Å; K453-E457 PolarHBondContact O-N 2.8Å
454Q91.9Very high90.7Very high100 Ų100129.6 Ų129.647%0.46758%0.579SS.*Hα-helixtrans-63.2-41.2179.5-175.9173.4-8.500111.9R450 L451 A452 E457 E458R450-Q454 WeakPolarHBondContact O-CB 3.39Å; R450-Q454 PolarHBondContact O-N 3.41Å; L451-Q454 PolarHBondContact O-N 2.91Å; A452-Q454 PolarHBondContact O-N 3.14Å; Q454-E457 PolarHBondContact O-N 2.94Å; Q454-E458 WeakPolarHBondContact O-CB 3.37Å; Q454-E458 PolarHBondContact O-N 3.5Å
455R87.9Confident90.2Very high186 Ų186127.7 Ų127.770%0.70257%0.572SS**Hα-helixtrans-62.9-47.1174-74.9-179-179.81620.6112.3L451 A452 E457 E458 E459L451-R455 WeakPolarHBondContact O-CG 3.35Å; L451-R455 PolarHBondContact O-N 3.39Å; A452-R455 PolarHBondContact O-N 3.45Å; R455-E457 VanDerWaalsContact C-N 3.27Å; R455-E457 PolarHBondContact O-N 2.86Å; R455-E458 PolarHBondContact O-N 3.4Å; R455-E459 VanDerWaalsContact O-CB 3.31Å; R455-E459 WeakPolarHBondContact O-CB 3.4Å; R455-E459 PolarHBondContact O-N 3.44Å
456M88.4Confident89.9Confident126 Ų126128.6 Ų128.662%0.62157%0.573SS**Hα-helixtrans-60.6-36.4176.2-69.3-62.1-54.200112.4A452 K453 K460A452-M456 WeakPolarHBondContact O-CG 3.26Å; A452-M456 PolarHBondContact O-N 2.84Å; A452-M456 VanDerWaalsContact O-N 3.08Å; K453-M456 PolarHBondContact O-N 2.99Å; M456-K460 VanDerWaalsContact O-CB 3.28Å; M456-K460 WeakPolarHBondContact O-CB 3.45Å; M456-K460 PolarHBondContact O-N 3.29Å
457E91.1Very high89.9Confident126 Ų126124.8 Ų124.859%0.58956%0.56SS**Hα-helixtrans-74.8-36178-170.3167.2176.800112.3K453 Q454 R455 R461K453-E457 WeakPolarHBondContact O-CB 3.47Å; K453-E457 PolarHBondContact O-N 2.8Å; Q454-E457 PolarHBondContact O-N 2.94Å; R455-E457 VanDerWaalsContact C-N 3.27Å; R455-E457 PolarHBondContact O-N 2.86Å; E457-R461 VanDerWaalsContact O-CB 3.3Å; E457-R461 WeakPolarHBondContact O-CB 3.49Å; E457-R461 PolarHBondContact O-N 2.88Å
458E87.1Confident89.4Confident105 Ų105127 Ų12749%0.49156%0.563SS.*Hα-helixtrans-70.3-42.7174-174.2174.1176.900112.3Q454 R455 R461 R462Q454-E458 WeakPolarHBondContact O-CB 3.37Å; Q454-E458 PolarHBondContact O-N 3.5Å; R455-E458 PolarHBondContact O-N 3.4Å; E458-R461 PolarHBondContact O-N 2.9Å; E458-R462 PolarHBondContact O-N 2.69Å
459E88Confident89Confident129 Ų129124.7 Ų124.760%0.60356%0.555SS**Hα-helixtrans-62-46.4174.4-176.2175.6-168.400110.9R455 R461 R462 L463R455-E459 VanDerWaalsContact O-CB 3.31Å; R455-E459 WeakPolarHBondContact O-CB 3.4Å; R455-E459 PolarHBondContact O-N 3.44Å; E459-R461 VanDerWaalsContact C-N 3.33Å; E459-R461 PolarHBondContact O-N 2.98Å; E459-R462 PolarHBondContact O-N 3.25Å; E459-L463 PolarHBondContact O-N 3.14Å
460K90.8Very high88.8Confident133 Ų133122.3 Ų122.358%0.57855%0.546SS*.Hα-helixtrans-58.9-43.8172.5-177.4178.2177.8-1790111.8M456 R462 L463 D464M456-K460 VanDerWaalsContact O-CB 3.28Å; M456-K460 WeakPolarHBondContact O-CB 3.45Å; M456-K460 PolarHBondContact O-N 3.29Å; K460-R462 VanDerWaalsContact C-N 3.35Å; K460-R462 PolarHBondContact O-N 3.12Å; K460-L463 PolarHBondContact O-N 3.17Å; K460-D464 WeakPolarHBondContact O-CB 3.42Å; K460-D464 PolarHBondContact O-N 3.05Å
461R86.8Confident88.7Confident176 Ų176120 Ų12066%0.66454%0.543SS*.Hα-helixtrans-63-40.6178-179.4177.7171.8175.9-2.1111.8E457 E458 E459 D464 E465E457-R461 VanDerWaalsContact O-CB 3.3Å; E457-R461 WeakPolarHBondContact O-CB 3.49Å; E457-R461 PolarHBondContact O-N 2.88Å; E458-R461 PolarHBondContact O-N 2.9Å; E459-R461 VanDerWaalsContact C-N 3.33Å; E459-R461 PolarHBondContact O-N 2.98Å; R461-D464 PolarHBondContact O-N 2.81Å; R461-E465 VanDerWaalsContact O-CB 3.26Å; R461-E465 WeakPolarHBondContact O-CB 3.26Å; R461-E465 PolarHBondContact O-N 2.99Å
462R87.9Confident88.5Confident177 Ų177120.1 Ų120.167%0.66854%0.543SS*.Hα-helixtrans-62.4-44.3173.7-78.8-164.4176.1-136.40.9111.7E458 E459 K460 E465 E466E458-R462 PolarHBondContact O-N 2.69Å; E459-R462 PolarHBondContact O-N 3.25Å; K460-R462 VanDerWaalsContact C-N 3.35Å; K460-R462 PolarHBondContact O-N 3.12Å; R462-E465 PolarHBondContact O-N 3.16Å; R462-E466 WeakPolarHBondContact O-CB 3.37Å; R462-E466 PolarHBondContact O-N 3.36Å
463L86.6Confident88.3Confident100 Ų100123.9 Ų123.952%0.52455%0.551SS.*Hα-helixtrans-63.1-41.8176.5-174.165.4000112E459 K460 E465 N467E459-L463 PolarHBondContact O-N 3.14Å; K460-L463 PolarHBondContact O-N 3.17Å; L463-E465 VanDerWaalsContact C-N 3.35Å; L463-N467 VanDerWaalsContact O-CB 3.31Å; L463-N467 WeakPolarHBondContact O-CB 3.38Å; L463-N467 VanDerWaalsContact O-CG 3.29Å; L463-N467 PolarHBondContact O-N 2.95Å; L463-N467 PolarHBondContact O-ND2 2.8Å
464D88.1Confident88.2Confident71 Ų71122.3 Ų122.338%0.3855%0.546SS..Hα-helixtrans-65.8-36175.5-73.9-21.7000111.9K460 R461 R468K460-D464 WeakPolarHBondContact O-CB 3.42Å; K460-D464 PolarHBondContact O-N 3.05Å; R461-D464 PolarHBondContact O-N 2.81Å; D464-R468 VanDerWaalsContact O-CG 3.3Å; D464-R468 WeakPolarHBondContact O-CG 3.39Å; D464-R468 PolarHBondContact O-N 3.34Å
465E86.8Confident87.9Confident100 Ų100123.6 Ų123.647%0.46755%0.552SS.*Hα-helixtrans-75-41.6178.1-170.7162.2177.700112.1R461 R462 L463 R468 N469R461-E465 VanDerWaalsContact O-CB 3.26Å; R461-E465 WeakPolarHBondContact O-CB 3.26Å; R461-E465 PolarHBondContact O-N 2.99Å; R462-E465 PolarHBondContact O-N 3.16Å; L463-E465 VanDerWaalsContact C-N 3.35Å; E465-R468 PolarHBondContact O-N 2.66Å; E465-N469 WeakPolarHBondContact O-CB 3.34Å; E465-N469 PolarHBondContact O-N 3.03Å; E465-N469 PolarHBondContact O-ND2 3Å
466E87.3Confident87.9Confident131 Ų131120.6 Ų120.661%0.61255%0.546SS*.Hα-helixtrans-62.1-43.6172.1-173.2179.8166.800111.4R462 R468 N469 R470R462-E466 WeakPolarHBondContact O-CB 3.37Å; R462-E466 PolarHBondContact O-N 3.36Å; E466-R468 VanDerWaalsContact C-N 3.34Å; E466-R468 PolarHBondContact O-N 3.24Å; E466-N469 PolarHBondContact O-N 3.34Å; E466-R470 WeakPolarHBondContact O-CB 3.45Å; E466-R470 PolarHBondContact O-N 2.91Å
467N91.3Very high88.1Confident69 Ų69117.5 Ų117.537%0.36954%0.541SS..Hα-helixtrans-61.6-39.6175.5-81-48.9000112.5L463 Q471L463-N467 VanDerWaalsContact O-CB 3.31Å; L463-N467 WeakPolarHBondContact O-CB 3.38Å; L463-N467 VanDerWaalsContact O-CG 3.29Å; L463-N467 PolarHBondContact O-N 2.95Å; L463-N467 PolarHBondContact O-ND2 2.8Å; N467-Q471 VanDerWaalsContact O-CG 3.32Å; N467-Q471 WeakPolarHBondContact O-CG 3.45Å; N467-Q471 PolarHBondContact O-N 3.4Å
468R82.3Confident87.9Confident164 Ų164120.3 Ų120.362%0.61955%0.546SS*.Hα-helixtrans-66.4-43.5173.6-72.6172.1-169-178.35.4112D464 E465 E466 R470 Q471 I472D464-R468 VanDerWaalsContact O-CG 3.3Å; D464-R468 WeakPolarHBondContact O-CG 3.39Å; D464-R468 PolarHBondContact O-N 3.34Å; E465-R468 PolarHBondContact O-N 2.66Å; E466-R468 VanDerWaalsContact C-N 3.34Å; E466-R468 PolarHBondContact O-N 3.24Å; R468-R470 VanDerWaalsContact C-N 3.32Å; R468-R470 PolarHBondContact O-N 2.86Å; R468-Q471 PolarHBondContact O-N 2.95Å; R468-I472 WeakPolarHBondContact O-CG1 3.45Å; R468-I472 PolarHBondContact O-N 2.9Å
469N85.3Confident87.7Confident79 Ų79120.2 Ų120.242%0.42255%0.548SS..Hα-helixtrans-63.6-40.1177.7-69.8-20.7000111.2E465 E466 I472 Q473E465-N469 WeakPolarHBondContact O-CB 3.34Å; E465-N469 PolarHBondContact O-N 3.03Å; E465-N469 PolarHBondContact O-ND2 3Å; E466-N469 PolarHBondContact O-N 3.34Å; N469-I472 PolarHBondContact O-N 3.45Å; N469-Q473 WeakPolarHBondContact O-CB 3.39Å; N469-Q473 VanDerWaalsContact O-CG 3.29Å; N469-Q473 WeakPolarHBondContact O-CG 3.28Å; N469-Q473 PolarHBondContact O-N 2.91Å
470R88.5Confident87.7Confident148 Ų148116.8 Ų116.856%0.55854%0.542SS*.Hα-helixtrans-63.8-40.7173.2-173.5178.3-179.5-177.12.8112.2E466 R468 Q473 Q474E466-R470 WeakPolarHBondContact O-CB 3.45Å; E466-R470 PolarHBondContact O-N 2.91Å; R468-R470 VanDerWaalsContact C-N 3.32Å; R468-R470 PolarHBondContact O-N 2.86Å; R470-Q473 PolarHBondContact O-N 2.66Å; R470-Q474 WeakPolarHBondContact O-CB 3.47Å; R470-Q474 VanDerWaalsContact O-CG 3.27Å; R470-Q474 WeakPolarHBondContact O-CG 3.39Å; R470-Q474 PolarHBondContact O-N 3.12Å
471Q88.8Confident87.5Confident124 Ų124113.3 Ų113.358%0.57954%0.538SS*.Hα-helixtrans-62.4-46.8173.6-77.2173.6-3.500111.7N467 R468 Q473 Q474 E475N467-Q471 VanDerWaalsContact O-CG 3.32Å; N467-Q471 WeakPolarHBondContact O-CG 3.45Å; N467-Q471 PolarHBondContact O-N 3.4Å; R468-Q471 PolarHBondContact O-N 2.95Å; Q471-Q473 VanDerWaalsContact C-N 3.34Å; Q471-Q473 PolarHBondContact O-N 3.44Å; Q471-Q474 PolarHBondContact O-N 2.79Å; Q471-E475 WeakPolarHBondContact O-CB 3.35Å; Q471-E475 PolarHBondContact O-N 2.59Å
472I87.4Confident87.4Confident83 Ų83110.2 Ų110.243%0.42653%0.531SS..Hα-helixtrans-61.9-41.9176.9-67.3164.6000110.9R468 N469 E475 Q476R468-I472 WeakPolarHBondContact O-CG1 3.45Å; R468-I472 PolarHBondContact O-N 2.9Å; N469-I472 PolarHBondContact O-N 3.45Å; I472-E475 PolarHBondContact O-N 3.2Å; I472-Q476 HydrophobicContact CG2-CG 4.47Å; I472-Q476 WeakPolarHBondContact O-CB 3.35Å; I472-Q476 VanDerWaalsContact O-CG 3.27Å; I472-Q476 WeakPolarHBondContact O-CG 3.35Å; I472-Q476 PolarHBondContact O-N 2.89Å
473Q89.2Confident87.4Confident130 Ų130104.1 Ų104.161%0.60752%0.519SS*.Hα-helixtrans-65.3-40.4175.3-74.9174.60.900112.4N469 R470 Q471 Q476 A477N469-Q473 WeakPolarHBondContact O-CB 3.39Å; N469-Q473 VanDerWaalsContact O-CG 3.29Å; N469-Q473 WeakPolarHBondContact O-CG 3.28Å; N469-Q473 PolarHBondContact O-N 2.91Å; R470-Q473 PolarHBondContact O-N 2.66Å; Q471-Q473 VanDerWaalsContact C-N 3.34Å; Q471-Q473 PolarHBondContact O-N 3.44Å; Q473-Q476 PolarHBondContact O-N 3.14Å; Q473-A477 VanDerWaalsContact O-CB 3.24Å; Q473-A477 WeakPolarHBondContact O-CB 3.48Å; Q473-A477 PolarHBondContact O-N 2.82Å
474Q91.4Very high87.2Confident112 Ų112104.3 Ų104.352%0.52352%0.517SS..Hα-helixtrans-66.6-38.9175.3-77.5177.5-24.100112R470 Q471 R478R470-Q474 WeakPolarHBondContact O-CB 3.47Å; R470-Q474 VanDerWaalsContact O-CG 3.27Å; R470-Q474 WeakPolarHBondContact O-CG 3.39Å; R470-Q474 PolarHBondContact O-N 3.12Å; Q471-Q474 PolarHBondContact O-N 2.79Å; Q474-R478 VanDerWaalsContact O-CB 3.27Å; Q474-R478 WeakPolarHBondContact O-CB 3.34Å; Q474-R478 PolarHBondContact O-N 2.88Å
475E85.9Confident87Confident126 Ų126105.8 Ų105.859%0.58952%0.522SS*.Hα-helixtrans-66.9-44.5175-171.8174.9-174.500111.2Q471 I472 R478 L479Q471-E475 WeakPolarHBondContact O-CB 3.35Å; Q471-E475 PolarHBondContact O-N 2.59Å; I472-E475 PolarHBondContact O-N 3.2Å; E475-R478 PolarHBondContact O-N 3.28Å; E475-L479 HydrophobicContact CG-CD1 4.26Å; E475-L479 WeakPolarHBondContact O-CB 3.36Å; E475-L479 VanDerWaalsContact O-CG 3.29Å; E475-L479 WeakPolarHBondContact O-CG 3.35Å; E475-L479 PolarHBondContact O-N 3.26Å
476Q87.6Confident87Confident123 Ų123103.6 Ų103.658%0.57552%0.521SS*.Hα-helixtrans-62.3-42.9173.6-74.8176.7-200112.4I472 Q473 L479 A480I472-Q476 HydrophobicContact CG2-CG 4.47Å; I472-Q476 WeakPolarHBondContact O-CB 3.35Å; I472-Q476 VanDerWaalsContact O-CG 3.27Å; I472-Q476 WeakPolarHBondContact O-CG 3.35Å; I472-Q476 PolarHBondContact O-N 2.89Å; Q473-Q476 PolarHBondContact O-N 3.14Å; Q476-L479 PolarHBondContact O-N 3.16Å; Q476-A480 WeakPolarHBondContact O-CB 3.43Å; Q476-A480 PolarHBondContact O-N 3.07Å
477A91Very high86.8Confident62 Ų62105 Ų10551%0.51252%0.52SS..Hα-helixtrans-65.3-38.517600000112Q473 A480 A481Q473-A477 VanDerWaalsContact O-CB 3.24Å; Q473-A477 WeakPolarHBondContact O-CB 3.48Å; Q473-A477 PolarHBondContact O-N 2.82Å; A477-A480 PolarHBondContact O-N 3.45Å; A477-A481 WeakPolarHBondContact O-CB 3.5Å; A477-A481 PolarHBondContact O-N 2.99Å
478R88.4Confident86.7Confident185 Ų185106.3 Ų106.370%0.69853%0.527SS*.Hα-helixtrans-64.8-46.2173.9-179.4-179.5172.3176.10.4111.6Q474 E475 A480 A481 E482Q474-R478 VanDerWaalsContact O-CB 3.27Å; Q474-R478 WeakPolarHBondContact O-CB 3.34Å; Q474-R478 PolarHBondContact O-N 2.88Å; E475-R478 PolarHBondContact O-N 3.28Å; R478-A480 VanDerWaalsContact C-N 3.3Å; R478-A480 PolarHBondContact O-N 2.79Å; R478-A481 PolarHBondContact O-N 3.34Å; R478-E482 WeakPolarHBondContact O-CB 3.47Å; R478-E482 PolarHBondContact O-N 3.27Å
479L83.2Confident87Confident102 Ų102104 Ų10453%0.53452%0.522SS..Hα-helixtrans-63.1-36.7176.7-72.6169.8000111.9E475 Q476 A483E475-L479 HydrophobicContact CG-CD1 4.26Å; E475-L479 WeakPolarHBondContact O-CB 3.36Å; E475-L479 VanDerWaalsContact O-CG 3.29Å; E475-L479 WeakPolarHBondContact O-CG 3.35Å; E475-L479 PolarHBondContact O-N 3.26Å; Q476-L479 PolarHBondContact O-N 3.16Å; L479-A483 VanDerWaalsContact O-CB 3.3Å; L479-A483 WeakPolarHBondContact O-CB 3.35Å; L479-A483 PolarHBondContact O-N 3.38Å
480A87.2Confident87Confident57 Ų57107.1 Ų107.147%0.47153%0.533SS..Hα-helixtrans-67.5-43.617400000112.2Q476 A477 R478 A483 E484Q476-A480 WeakPolarHBondContact O-CB 3.43Å; Q476-A480 PolarHBondContact O-N 3.07Å; A477-A480 PolarHBondContact O-N 3.45Å; R478-A480 VanDerWaalsContact C-N 3.3Å; R478-A480 PolarHBondContact O-N 2.79Å; A480-A483 PolarHBondContact O-N 2.95Å; A480-E484 PolarHBondContact O-N 3.1Å
481A87.3Confident86.8Confident61 Ų61104.4 Ų104.450%0.50453%0.527SS..Hα-helixtrans-64.5-41.9176.200000112.3A477 R478 A483 E484 E485A477-A481 WeakPolarHBondContact O-CB 3.5Å; A477-A481 PolarHBondContact O-N 2.99Å; R478-A481 PolarHBondContact O-N 3.34Å; A481-A483 VanDerWaalsContact C-N 3.33Å; A481-A483 PolarHBondContact O-N 3.07Å; A481-E484 PolarHBondContact O-N 3.46Å; A481-E485 WeakPolarHBondContact O-CB 3.22Å; A481-E485 PolarHBondContact O-N 2.9Å
482E84.3Confident86.6Confident110 Ų110104.5 Ų104.551%0.51453%0.528SS..Hα-helixtrans-64.9-36.4175.2-173.6172.8168.500111.8R478 A486R478-E482 WeakPolarHBondContact O-CB 3.47Å; R478-E482 PolarHBondContact O-N 3.27Å; E482-A486 VanDerWaalsContact O-CB 3.26Å; E482-A486 WeakPolarHBondContact O-CB 3.26Å; E482-A486 PolarHBondContact O-N 3.31Å
483A87.5Confident86.7Confident50 Ų50103.2 Ų103.241%0.41353%0.53SS..Hα-helixtrans-66.7-44.1174.100000112.5L479 A480 A481 A486 R487L479-A483 VanDerWaalsContact O-CB 3.3Å; L479-A483 WeakPolarHBondContact O-CB 3.35Å; L479-A483 PolarHBondContact O-N 3.38Å; A480-A483 PolarHBondContact O-N 2.95Å; A481-A483 VanDerWaalsContact C-N 3.33Å; A481-A483 PolarHBondContact O-N 3.07Å; A483-A486 PolarHBondContact O-N 2.93Å; A483-R487 WeakPolarHBondContact O-CG 3.26Å; A483-R487 PolarHBondContact O-N 3.45Å
484E83.3Confident86.6Confident103 Ų10399.7 Ų99.748%0.48152%0.523SS..Hα-helixtrans-67.3-39.6175.6-71.5-60.5135.800111.9A480 A481 A486 R487 L488A480-E484 PolarHBondContact O-N 3.1Å; A481-E484 PolarHBondContact O-N 3.46Å; E484-A486 VanDerWaalsContact C-N 3.33Å; E484-A486 PolarHBondContact O-N 2.92Å; E484-R487 PolarHBondContact O-N 3.34Å; E484-R487 IonicContact OE1-NH1 3.25Å; E484-L488 WeakPolarHBondContact O-CG 3.41Å; E484-L488 PolarHBondContact O-N 2.77Å
485E83.2Confident86.4Confident102 Ų102102 Ų10248%0.47753%0.526SS..Hα-helixtrans-61.9-40.4172.7-169.9-174.716900111.7A481 L488 K489A481-E485 WeakPolarHBondContact O-CB 3.22Å; A481-E485 PolarHBondContact O-N 2.9Å; E485-L488 PolarHBondContact O-N 3.41Å; E485-K489 HydrophobicContact CG-CD 4.35Å; E485-K489 WeakPolarHBondContact O-CB 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.38Å; E485-K489 PolarHBondContact O-N 2.87Å; E485-K489 WeakPolarHBondContact OE1-CE 3.35Å; E485-K489 IonicContact OE1-NZ 3.17Å; E485-K489 PolarHBondContact OE1-NZ 3.5Å
486A85.7Confident86.4Confident55 Ų55101.4 Ų101.446%0.45553%0.527SS..Hα-helixtrans-63.8-41.4174.800000112.1E482 A483 E484 K489 E490E482-A486 VanDerWaalsContact O-CB 3.26Å; E482-A486 WeakPolarHBondContact O-CB 3.26Å; E482-A486 PolarHBondContact O-N 3.31Å; A483-A486 PolarHBondContact O-N 2.93Å; E484-A486 VanDerWaalsContact C-N 3.33Å; E484-A486 PolarHBondContact O-N 2.92Å; A486-K489 PolarHBondContact O-N 3.42Å; A486-E490 WeakPolarHBondContact O-CB 3.44Å; A486-E490 PolarHBondContact O-N 2.99Å
487R84.9Confident86.4Confident159 Ų15998 Ų9860%0.652%0.519SS*.Hα-helixtrans-65.7-41.8175.9-71-176.777-152.2-0.5112.4A483 E484 E490 E491A483-R487 WeakPolarHBondContact O-CG 3.26Å; A483-R487 PolarHBondContact O-N 3.45Å; E484-R487 PolarHBondContact O-N 3.34Å; E484-R487 IonicContact OE1-NH1 3.25Å; R487-E490 PolarHBondContact O-N 2.98Å; R487-E491 WeakPolarHBondContact O-CB 3.48Å; R487-E491 PolarHBondContact O-N 3.29Å
488L88.6Confident86.1Confident97 Ų9799.6 Ų99.651%0.50852%0.516SS..Hα-helixtrans-64.5-39.9175.3-71.1173.4000111.9E484 E485 E491 Q492E484-L488 WeakPolarHBondContact O-CG 3.41Å; E484-L488 PolarHBondContact O-N 2.77Å; E485-L488 PolarHBondContact O-N 3.41Å; L488-E491 PolarHBondContact O-N 3.39Å; L488-Q492 WeakPolarHBondContact O-CB 3.34Å; L488-Q492 VanDerWaalsContact O-CG 3.32Å; L488-Q492 WeakPolarHBondContact O-CG 3.43Å; L488-Q492 PolarHBondContact O-N 3.36Å
489K88.6Confident85.9Confident117 Ų11796.6 Ų96.651%0.50951%0.51SS..Hα-helixtrans-67.1-39.5173.9-75174.7-175.8169.50112.5E485 A486 Q492 A493E485-K489 HydrophobicContact CG-CD 4.35Å; E485-K489 WeakPolarHBondContact O-CB 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.38Å; E485-K489 PolarHBondContact O-N 2.87Å; E485-K489 WeakPolarHBondContact OE1-CE 3.35Å; E485-K489 IonicContact OE1-NZ 3.17Å; E485-K489 PolarHBondContact OE1-NZ 3.5Å; A486-K489 PolarHBondContact O-N 3.42Å; K489-Q492 PolarHBondContact O-N 2.98Å; K489-A493 VanDerWaalsContact O-CB 3.26Å; K489-A493 WeakPolarHBondContact O-CB 3.44Å; K489-A493 PolarHBondContact O-N 3.32Å
490E84Confident86.1Confident143 Ų14393.9 Ų93.967%0.66850%0.503SS*.Hα-helixtrans-64.7-41.6174.2-173.8173.3-165.100111.1A486 R487 A493 A494A486-E490 WeakPolarHBondContact O-CB 3.44Å; A486-E490 PolarHBondContact O-N 2.99Å; R487-E490 PolarHBondContact O-N 2.98Å; E490-A493 PolarHBondContact O-N 2.88Å; E490-A494 VanDerWaalsContact O-CB 3.28Å; E490-A494 WeakPolarHBondContact O-CB 3.38Å; E490-A494 PolarHBondContact O-N 2.9Å
491E84.4Confident85.9Confident92 Ų9297.7 Ų97.743%0.4351%0.511SS..Hα-helixtrans-65.6-43.6175.5-167.5-176.2160.400112.1R487 L488 A494 R495R487-E491 WeakPolarHBondContact O-CB 3.48Å; R487-E491 PolarHBondContact O-N 3.29Å; L488-E491 PolarHBondContact O-N 3.39Å; E491-A494 PolarHBondContact O-N 3.04Å; E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.45Å; E491-R495 IonicContact OE1-CZ 3.87Å; E491-R495 VanDerWaalsContact OE1-CZ 3.3Å; E491-R495 IonicContact OE1-NE 2.72Å; E491-R495 PolarHBondContact OE1-NE 3.49Å; E491-R495 IonicContact OE1-NH2 3.3Å; E491-R495 PolarHBondContact OE1-NH2 2.94Å
492Q85.2Confident85.8Confident125 Ų125102 Ų10258%0.58451%0.514SS*.Hα-helixtrans-62-43.7174-75.1178.30.200111.8L488 K489 A494 R495 L496L488-Q492 WeakPolarHBondContact O-CB 3.34Å; L488-Q492 VanDerWaalsContact O-CG 3.32Å; L488-Q492 WeakPolarHBondContact O-CG 3.43Å; L488-Q492 PolarHBondContact O-N 3.36Å; K489-Q492 PolarHBondContact O-N 2.98Å; Q492-A494 VanDerWaalsContact C-N 3.34Å; Q492-A494 PolarHBondContact O-N 2.96Å; Q492-R495 PolarHBondContact O-N 3.39Å; Q492-L496 WeakPolarHBondContact O-CB 3.44Å; Q492-L496 WeakPolarHBondContact O-CG 3.23Å; Q492-L496 PolarHBondContact O-N 3.12Å
493A88.6Confident85.9Confident57 Ų5799.6 Ų99.647%0.47151%0.513SS..Hα-helixtrans-64.7-36.8175.700000112.3K489 E490 A497K489-A493 VanDerWaalsContact O-CB 3.26Å; K489-A493 WeakPolarHBondContact O-CB 3.44Å; K489-A493 PolarHBondContact O-N 3.32Å; E490-A493 PolarHBondContact O-N 2.88Å; A493-A497 VanDerWaalsContact O-CB 3.23Å; A493-A497 WeakPolarHBondContact O-CB 3.14Å; A493-A497 PolarHBondContact O-N 3.35Å
494A87.2Confident86Confident56 Ų56104 Ų10446%0.46352%0.523SS..Hα-helixtrans-66.6-44.2174.600000111.8E490 E491 Q492 A497 E498E490-A494 VanDerWaalsContact O-CB 3.28Å; E490-A494 WeakPolarHBondContact O-CB 3.38Å; E490-A494 PolarHBondContact O-N 2.9Å; E491-A494 PolarHBondContact O-N 3.04Å; Q492-A494 VanDerWaalsContact C-N 3.34Å; Q492-A494 PolarHBondContact O-N 2.96Å; A494-A497 PolarHBondContact O-N 3.31Å; A494-E498 WeakPolarHBondContact O-CB 3.2Å; A494-E498 PolarHBondContact O-N 3.05Å
495R87.5Confident86.1Confident159 Ų159105.6 Ų105.660%0.653%0.53SS*.Hα-helixtrans-60.9-46.5174.6-71.6176.8-174.6-151.35.7111.7E491 Q492 A497 E498 E499E491-R495 WeakPolarHBondContact O-CG 3.32Å; E491-R495 PolarHBondContact O-N 3.45Å; E491-R495 IonicContact OE1-CZ 3.87Å; E491-R495 VanDerWaalsContact OE1-CZ 3.3Å; E491-R495 IonicContact OE1-NE 2.72Å; E491-R495 PolarHBondContact OE1-NE 3.49Å; E491-R495 IonicContact OE1-NH2 3.3Å; E491-R495 PolarHBondContact OE1-NH2 2.94Å; Q492-R495 PolarHBondContact O-N 3.39Å; R495-A497 VanDerWaalsContact C-N 3.32Å; R495-A497 PolarHBondContact O-N 3.33Å; R495-E498 PolarHBondContact O-N 2.71Å; R495-E499 WeakPolarHBondContact O-CB 3.43Å; R495-E499 PolarHBondContact O-N 2.86Å
496L86.9Confident86.4Confident115 Ų115103.6 Ų103.660%0.60253%0.531SS*.Hα-helixtrans-63.9-35.3175.7-70.9172.8000112.4Q492 A500Q492-L496 WeakPolarHBondContact O-CB 3.44Å; Q492-L496 WeakPolarHBondContact O-CG 3.23Å; Q492-L496 PolarHBondContact O-N 3.12Å; L496-A500 WeakPolarHBondContact O-CB 3.45Å; L496-A500 PolarHBondContact O-N 2.88Å
497A86.6Confident86.3Confident50 Ų50106.1 Ų106.141%0.41353%0.533SS..Hα-helixtrans-70.9-38175.400000112.6A493 A494 R495 Q501A493-A497 VanDerWaalsContact O-CB 3.23Å; A493-A497 WeakPolarHBondContact O-CB 3.14Å; A493-A497 PolarHBondContact O-N 3.35Å; A494-A497 PolarHBondContact O-N 3.31Å; R495-A497 VanDerWaalsContact C-N 3.32Å; R495-A497 PolarHBondContact O-N 3.33Å; A497-Q501 WeakPolarHBondContact O-CG 3.5Å; A497-Q501 PolarHBondContact O-N 3.29Å
498E84.4Confident86.3Confident96 Ų96104.8 Ų104.845%0.44953%0.534SS..Hα-helixtrans-67.6-44.3174-166.1-157.6126.700111.1A494 R495 A500 Q501 R502A494-E498 WeakPolarHBondContact O-CB 3.2Å; A494-E498 PolarHBondContact O-N 3.05Å; R495-E498 PolarHBondContact O-N 2.71Å; E498-A500 VanDerWaalsContact C-N 3.35Å; E498-A500 PolarHBondContact O-N 3.31Å; E498-Q501 CarbonylContact O-C 3.6Å; E498-Q501 WeakPolarHBondContact O-CB 3.46Å; E498-Q501 PolarHBondContact O-N 2.93Å; E498-Q501 VanDerWaalsContact O-N 3.08Å; E498-R502 PolarHBondContact O-N 2.88Å; E498-R502 IonicContact OE1-CZ 3.25Å; E498-R502 VanDerWaalsContact OE1-CZ 3.23Å; E498-R502 IonicContact OE1-NE 2.7Å; E498-R502 PolarHBondContact OE1-NE 3.44Å; E498-R502 IonicContact OE1-NH2 2.83Å; E498-R502 PolarHBondContact OE1-NH2 3.03Å
499E84.4Confident86.3Confident123 Ų123102.1 Ų102.158%0.57553%0.526SS*.Hα-helixtrans-61.5-43175-173.5175.1-172.200111.2R495 Q501 R502 A503R495-E499 WeakPolarHBondContact O-CB 3.43Å; R495-E499 PolarHBondContact O-N 2.86Å; E499-Q501 VanDerWaalsContact C-N 3.27Å; E499-Q501 PolarHBondContact O-N 2.9Å; E499-R502 PolarHBondContact O-N 3.47Å; E499-A503 VanDerWaalsContact O-CB 3.3Å; E499-A503 WeakPolarHBondContact O-CB 3.34Å; E499-A503 PolarHBondContact O-N 3.05Å
500A87.2Confident86.3Confident45 Ų4599.1 Ų99.137%0.37252%0.523SS..Hα-helixtrans-67.2-23.1173.800000113.8L496 E498 K504L496-A500 WeakPolarHBondContact O-CB 3.45Å; L496-A500 PolarHBondContact O-N 2.88Å; E498-A500 VanDerWaalsContact C-N 3.35Å; E498-A500 PolarHBondContact O-N 3.31Å; A500-K504 WeakPolarHBondContact O-CD 3.43Å; A500-K504 WeakPolarHBondContact O-CG 3.47Å
501Q84Confident86.5Confident136 Ų13698.1 Ų98.164%0.63652%0.516SS*.Hα-helixtrans-77.1-49.8169.6-77.9179.211.400110.9A497 E498 E499 A503 K504 E505A497-Q501 WeakPolarHBondContact O-CG 3.5Å; A497-Q501 PolarHBondContact O-N 3.29Å; E498-Q501 CarbonylContact O-C 3.6Å; E498-Q501 WeakPolarHBondContact O-CB 3.46Å; E498-Q501 PolarHBondContact O-N 2.93Å; E498-Q501 VanDerWaalsContact O-N 3.08Å; E499-Q501 VanDerWaalsContact C-N 3.27Å; E499-Q501 PolarHBondContact O-N 2.9Å; Q501-A503 VanDerWaalsContact C-N 3.27Å; Q501-A503 PolarHBondContact O-N 3.45Å; Q501-K504 PolarHBondContact O-N 3.44Å; Q501-E505 PolarHBondContact O-N 3.4Å
502R84.4Confident86.5Confident152 Ų15298.1 Ų98.157%0.57452%0.519SS*.Hα-helixtrans-60-34.9176.3-77.2-160.9-93.7124.6-10.3112.5E498 E499 A506E498-R502 PolarHBondContact O-N 2.88Å; E498-R502 IonicContact OE1-CZ 3.25Å; E498-R502 VanDerWaalsContact OE1-CZ 3.23Å; E498-R502 IonicContact OE1-NE 2.7Å; E498-R502 PolarHBondContact OE1-NE 3.44Å; E498-R502 IonicContact OE1-NH2 2.83Å; E498-R502 PolarHBondContact OE1-NH2 3.03Å; E499-R502 PolarHBondContact O-N 3.47Å; R502-A506 WeakPolarHBondContact O-CB 3.28Å; R502-A506 PolarHBondContact O-N 3.42Å
503A87.4Confident86.4Confident59 Ų5998.6 Ų98.649%0.48852%0.521SS..Hα-helixtrans-64.1-41.8173.400000112.5E499 Q501 E507E499-A503 VanDerWaalsContact O-CB 3.3Å; E499-A503 WeakPolarHBondContact O-CB 3.34Å; E499-A503 PolarHBondContact O-N 3.05Å; Q501-A503 VanDerWaalsContact C-N 3.27Å; Q501-A503 PolarHBondContact O-N 3.45Å; A503-E507 WeakPolarHBondContact O-CB 3.41Å; A503-E507 PolarHBondContact O-N 3.24Å
504K88.8Confident86.3Confident143 Ų14398.6 Ų98.662%0.62252%0.521SS*.Hα-helixtrans-70.2-42176.8-73171.1-175.91730112.2A500 Q501 E507 E508A500-K504 WeakPolarHBondContact O-CD 3.43Å; A500-K504 WeakPolarHBondContact O-CG 3.47Å; Q501-K504 PolarHBondContact O-N 3.44Å; K504-E507 PolarHBondContact O-N 3.07Å; K504-E508 WeakPolarHBondContact O-CB 3.39Å; K504-E508 PolarHBondContact O-N 2.87Å
505E86.2Confident86.4Confident136 Ų136100 Ų10064%0.63652%0.518SS*.Hα-helixtrans-64.1-41175.5-173.2177.1179.700111.1Q501 E508 A509Q501-E505 PolarHBondContact O-N 3.4Å; E505-E508 PolarHBondContact O-N 3.49Å; E505-A509 WeakPolarHBondContact O-CB 3.3Å; E505-A509 PolarHBondContact O-N 3.29Å
506A88.8Confident86.2Confident60 Ų6098.4 Ų98.450%0.49652%0.517SS..Hα-helixtrans-65.4-38.8173.400000112.5R502 A510R502-A506 WeakPolarHBondContact O-CB 3.28Å; R502-A506 PolarHBondContact O-N 3.42Å; A506-A510 WeakPolarHBondContact O-CB 3.37Å; A506-A510 PolarHBondContact O-N 2.84Å
507E84.7Confident86.3Confident109 Ų10996.2 Ų96.251%0.50951%0.512SS..Hα-helixtrans-66-39.9174.5-164.9-165.4155.200111.8A503 K504 K511A503-E507 WeakPolarHBondContact O-CB 3.41Å; A503-E507 PolarHBondContact O-N 3.24Å; K504-E507 PolarHBondContact O-N 3.07Å; E507-K511 WeakPolarHBondContact O-CD 3.27Å; E507-K511 VanDerWaalsContact O-CG 3.28Å; E507-K511 WeakPolarHBondContact O-CG 3.37Å; E507-K511 PolarHBondContact O-N 3.37Å; E507-K511 VanDerWaalsContact O-N 3.08Å; E507-K511 VanDerWaalsContact OE1-CE 3.3Å; E507-K511 WeakPolarHBondContact OE1-CE 3.4Å; E507-K511 IonicContact OE1-NZ 2.9Å; E507-K511 PolarHBondContact OE1-NZ 3.23Å
508E84Confident86.3Confident130 Ų13098.3 Ų98.361%0.60751%0.513SS*.Hα-helixtrans-68.9-44.7175.6-171.4169.7172.200111.6K504 E505 A510 K511 L512K504-E508 WeakPolarHBondContact O-CB 3.39Å; K504-E508 PolarHBondContact O-N 2.87Å; E505-E508 PolarHBondContact O-N 3.49Å; E508-A510 PolarHBondContact O-N 2.86Å; E508-K511 WeakPolarHBondContact O-CB 3.3Å; E508-K511 PolarHBondContact O-N 3.45Å; E508-L512 WeakPolarHBondContact O-CG 3.32Å; E508-L512 PolarHBondContact O-N 2.85Å
509A89.4Confident86.4Confident42 Ų42101.3 Ų101.335%0.34752%0.52SS..Hα-helixtrans-62.4-40.9175.100000112.1E505 K511 L512 Q513E505-A509 WeakPolarHBondContact O-CB 3.3Å; E505-A509 PolarHBondContact O-N 3.29Å; A509-K511 VanDerWaalsContact C-N 3.34Å; A509-K511 PolarHBondContact O-N 2.91Å; A509-L512 PolarHBondContact O-N 2.95Å; A509-Q513 WeakPolarHBondContact O-CB 3.29Å; A509-Q513 WeakPolarHBondContact O-CG 3.43Å; A509-Q513 PolarHBondContact O-N 2.87Å
510A88Confident86.6Confident54 Ų54100.9 Ų100.945%0.44652%0.521SS..Hα-helixtrans-64.3-37.4174.700000112.1A506 E508 A514A506-A510 WeakPolarHBondContact O-CB 3.37Å; A506-A510 PolarHBondContact O-N 2.84Å; E508-A510 PolarHBondContact O-N 2.86Å; A510-A514 VanDerWaalsContact O-CB 3.27Å; A510-A514 WeakPolarHBondContact O-CB 3.26Å; A510-A514 PolarHBondContact O-N 2.8Å
511K88.2Confident86.7Confident121 Ų12199.9 Ų99.953%0.52651%0.513SS..Hα-helixtrans-66.2-41.8172.9-74.4165.9-173165.80112.1E507 E508 A509 A514 E515E507-K511 WeakPolarHBondContact O-CD 3.27Å; E507-K511 VanDerWaalsContact O-CG 3.28Å; E507-K511 WeakPolarHBondContact O-CG 3.37Å; E507-K511 PolarHBondContact O-N 3.37Å; E507-K511 VanDerWaalsContact O-N 3.08Å; E507-K511 VanDerWaalsContact OE1-CE 3.3Å; E507-K511 WeakPolarHBondContact OE1-CE 3.4Å; E507-K511 IonicContact OE1-NZ 2.9Å; E507-K511 PolarHBondContact OE1-NZ 3.23Å; E508-K511 WeakPolarHBondContact O-CB 3.3Å; E508-K511 PolarHBondContact O-N 3.45Å; A509-K511 VanDerWaalsContact C-N 3.34Å; A509-K511 PolarHBondContact O-N 2.91Å; K511-A514 PolarHBondContact O-N 3.3Å; K511-E515 PolarHBondContact O-N 3.32Å
512L83.9Confident87.1Confident92 Ų9298.5 Ų98.548%0.48251%0.505SS..Hα-helixtrans-64.4-45.2175.5-70.6172.2000111.5E508 A509 A514 E515 E516E508-L512 WeakPolarHBondContact O-CG 3.32Å; E508-L512 PolarHBondContact O-N 2.85Å; A509-L512 PolarHBondContact O-N 2.95Å; L512-A514 VanDerWaalsContact C-N 3.33Å; L512-A514 PolarHBondContact O-N 3.47Å; L512-E515 PolarHBondContact O-N 3.44Å; L512-E516 WeakPolarHBondContact O-CB 3.27Å; L512-E516 WeakPolarHBondContact O-CG 3.38Å; L512-E516 PolarHBondContact O-N 2.9Å
513Q83.4Confident87.2Confident136 Ų13696.4 Ų96.464%0.63650%0.504SS*.Hα-helixtrans-62.9-37.6174.5-73.8-176.4-5.200112.6A509 S517A509-Q513 WeakPolarHBondContact O-CB 3.29Å; A509-Q513 WeakPolarHBondContact O-CG 3.43Å; A509-Q513 PolarHBondContact O-N 2.87Å; Q513-S517 VanDerWaalsContact O-CB 3.3Å; Q513-S517 WeakPolarHBondContact O-CB 3.24Å; Q513-S517 PolarHBondContact O-N 3.18Å; Q513-S517 PolarHBondContact O-OG 3.24Å
514A87.6Confident87.3Confident56 Ų5699 Ų9946%0.46351%0.507SS..Hα-helixtrans-64.3-42.117300000111.6A510 K511 L512 S517 E518A510-A514 VanDerWaalsContact O-CB 3.27Å; A510-A514 WeakPolarHBondContact O-CB 3.26Å; A510-A514 PolarHBondContact O-N 2.8Å; K511-A514 PolarHBondContact O-N 3.3Å; L512-A514 VanDerWaalsContact C-N 3.33Å; L512-A514 PolarHBondContact O-N 3.47Å; A514-S517 PolarHBondContact O-OG 3.42Å; A514-S517 VanDerWaalsContact O-OG 3.13Å; A514-E518 VanDerWaalsContact O-CB 3.29Å; A514-E518 WeakPolarHBondContact O-CB 3.3Å; A514-E518 PolarHBondContact O-N 2.95Å
515E88.1Confident87.3Confident85 Ų8599.8 Ų99.840%0.39751%0.506SS..Hα-helixtrans-67.8-43.3175.9-163.4-169.5153.400112.2K511 L512 E518 R519K511-E515 PolarHBondContact O-N 3.32Å; L512-E515 PolarHBondContact O-N 3.44Å; E515-E518 PolarHBondContact O-N 2.8Å; E515-R519 WeakPolarHBondContact O-CB 3.32Å; E515-R519 VanDerWaalsContact O-CG 3.31Å; E515-R519 WeakPolarHBondContact O-CG 3.29Å; E515-R519 PolarHBondContact O-N 3.49Å; E515-R519 IonicContact OE1-CZ 3.14Å; E515-R519 IonicContact OE1-NE 3.16Å; E515-R519 PolarHBondContact OE1-NE 2.91Å; E515-R519 IonicContact OE1-NH2 2.86Å; E515-R519 PolarHBondContact OE1-NH2 2.87Å
516E83.6Confident87.3Confident126 Ų12696 Ų9659%0.58949%0.494SS*.Hα-helixtrans-63.6-45.3178.1-75-173.9163.200111.9L512 R519 L520L512-E516 WeakPolarHBondContact O-CB 3.27Å; L512-E516 WeakPolarHBondContact O-CG 3.38Å; L512-E516 PolarHBondContact O-N 2.9Å; E516-R519 PolarHBondContact O-N 3.3Å; E516-L520 WeakPolarHBondContact O-CG 3.37Å; E516-L520 PolarHBondContact O-N 3.26Å
517S88.5Confident87.3Confident69 Ų6998.3 Ų98.348%0.48350%0.495SS..Hα-helixtrans-66.6-35.2174.758.60000112.4Q513 A514 L520 A521Q513-S517 VanDerWaalsContact O-CB 3.3Å; Q513-S517 WeakPolarHBondContact O-CB 3.24Å; Q513-S517 PolarHBondContact O-N 3.18Å; Q513-S517 PolarHBondContact O-OG 3.24Å; A514-S517 PolarHBondContact O-OG 3.42Å; A514-S517 VanDerWaalsContact O-OG 3.13Å; S517-L520 PolarHBondContact O-N 3.42Å; S517-A521 VanDerWaalsContact O-CB 3.28Å; S517-A521 WeakPolarHBondContact O-CB 3.34Å; S517-A521 PolarHBondContact O-N 3.27Å
518E87.9Confident87.6Confident95 Ų9598.7 Ų98.744%0.44450%0.497SS..Hα-helixtrans-66-39.1172-158.4-155.1171.300111.9A514 E515 A521 K522A514-E518 VanDerWaalsContact O-CB 3.29Å; A514-E518 WeakPolarHBondContact O-CB 3.3Å; A514-E518 PolarHBondContact O-N 2.95Å; E515-E518 PolarHBondContact O-N 2.8Å; E518-A521 PolarHBondContact O-N 2.85Å; E518-K522 VanDerWaalsContact CD-CE 3.46Å; E518-K522 HydrophobicContact CG-CD 4.49Å; E518-K522 WeakPolarHBondContact O-CB 3.13Å; E518-K522 VanDerWaalsContact O-CG 3.25Å; E518-K522 WeakPolarHBondContact O-CG 3.45Å; E518-K522 PolarHBondContact O-N 3.24Å; E518-K522 WeakPolarHBondContact OE1-CE 3.26Å; E518-K522 IonicContact OE1-NZ 2.93Å; E518-K522 PolarHBondContact OE1-NZ 2.94Å; E518-K522 IonicContact OE2-NZ 2.65Å; E518-K522 PolarHBondContact OE2-NZ 2.99Å
519R86.3Confident87.9Confident158 Ų15896.9 Ų96.960%0.59649%0.488SS*.Hα-helixtrans-64.1-44174-75.1177-178.2-154.45.9111.6E515 E516 K522 L523E515-R519 WeakPolarHBondContact O-CB 3.32Å; E515-R519 VanDerWaalsContact O-CG 3.31Å; E515-R519 WeakPolarHBondContact O-CG 3.29Å; E515-R519 PolarHBondContact O-N 3.49Å; E515-R519 IonicContact OE1-CZ 3.14Å; E515-R519 IonicContact OE1-NE 3.16Å; E515-R519 PolarHBondContact OE1-NE 2.91Å; E515-R519 IonicContact OE1-NH2 2.86Å; E515-R519 PolarHBondContact OE1-NH2 2.87Å; E516-R519 PolarHBondContact O-N 3.3Å; R519-K522 PolarHBondContact O-N 3.42Å; R519-L523 PolarHBondContact O-N 3.4Å
520L88.6Confident88Confident114 Ų114103.7 Ų103.760%0.59751%0.505SS*.Hα-helixtrans-63.5-44.9174.9-72.3173000111.5E516 S517 K522 L523 Q524E516-L520 WeakPolarHBondContact O-CG 3.37Å; E516-L520 PolarHBondContact O-N 3.26Å; S517-L520 PolarHBondContact O-N 3.42Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 2.87Å; L520-L523 WeakPolarHBondContact O-CB 3.47Å; L520-L523 PolarHBondContact O-N 2.93Å; L520-L523 VanDerWaalsContact O-N 3.13Å; L520-Q524 WeakPolarHBondContact O-CG 3.42Å; L520-Q524 PolarHBondContact O-N 3.27Å
521A89.9Confident88.2Confident24 Ų24104.7 Ų104.720%0.19850%0.502CS..Hα-helixtrans-64.1-34.4176.200000112.7S517 E518 R525S517-A521 VanDerWaalsContact O-CB 3.28Å; S517-A521 WeakPolarHBondContact O-CB 3.34Å; S517-A521 PolarHBondContact O-N 3.27Å; E518-A521 PolarHBondContact O-N 2.85Å; A521-R525 WeakPolarHBondContact O-CB 3.27Å; A521-R525 VanDerWaalsContact O-CG 3.25Å; A521-R525 WeakPolarHBondContact O-CG 3.35Å; A521-R525 PolarHBondContact O-N 2.87Å
522K92.7Very high88.4Confident107 Ų107104.5 Ų104.547%0.46551%0.506SS..Hα-helixtrans-64.8-41171.5-78164.9-178.4161.60111.7E518 R519 L520 S526E518-K522 VanDerWaalsContact CD-CE 3.46Å; E518-K522 HydrophobicContact CG-CD 4.49Å; E518-K522 WeakPolarHBondContact O-CB 3.13Å; E518-K522 VanDerWaalsContact O-CG 3.25Å; E518-K522 WeakPolarHBondContact O-CG 3.45Å; E518-K522 PolarHBondContact O-N 3.24Å; E518-K522 WeakPolarHBondContact OE1-CE 3.26Å; E518-K522 IonicContact OE1-NZ 2.93Å; E518-K522 PolarHBondContact OE1-NZ 2.94Å; E518-K522 IonicContact OE2-NZ 2.65Å; E518-K522 PolarHBondContact OE2-NZ 2.99Å; R519-K522 PolarHBondContact O-N 3.42Å; L520-K522 VanDerWaalsContact C-N 3.32Å; L520-K522 PolarHBondContact O-N 2.87Å; K522-S526 PolarHBondContact O-N 3.06Å; K522-S526 VanDerWaalsContact O-N 3.12Å
523L86.4Confident88.8Confident108 Ų108107.4 Ų107.457%0.56551%0.51SS*.Hα-helixtrans-65.3-48.7176.2-169.5154.7000111R519 L520 R525 S526 E527R519-L523 PolarHBondContact O-N 3.4Å; L520-L523 WeakPolarHBondContact O-CB 3.47Å; L520-L523 PolarHBondContact O-N 2.93Å; L520-L523 VanDerWaalsContact O-N 3.13Å; L523-R525 PolarHBondContact O-N 3.35Å; L523-S526 WeakPolarHBondContact O-CB 3.28Å; L523-S526 PolarHBondContact O-N 2.84Å; L523-S526 VanDerWaalsContact O-N 3.13Å; L523-E527 PolarHBondContact O-N 3.23Å
524Q88.6Confident89.4Confident115 Ų115107.4 Ų107.454%0.53751%0.508SS..Hα-helixtrans-57-49.2176.3-74.6177.6-30.600112L520 S526 E527 E528L520-Q524 WeakPolarHBondContact O-CG 3.42Å; L520-Q524 PolarHBondContact O-N 3.27Å; Q524-S526 VanDerWaalsContact C-N 3.28Å; Q524-S526 PolarHBondContact O-N 3.38Å; Q524-E527 PolarHBondContact O-N 2.95Å; Q524-E527 VanDerWaalsContact O-N 3.09Å; Q524-E528 WeakPolarHBondContact O-CB 3.31Å; Q524-E528 WeakPolarHBondContact O-CG 3.33Å; Q524-E528 PolarHBondContact O-N 3.34Å
525R87.8Confident89.8Confident159 Ų159111.3 Ų111.360%0.652%0.515SS*.Hα-helixtrans-58.1-38.4175.8-73.2175.5-170.9126.1-1.9112.5A521 L523 E529A521-R525 WeakPolarHBondContact O-CB 3.27Å; A521-R525 VanDerWaalsContact O-CG 3.25Å; A521-R525 WeakPolarHBondContact O-CG 3.35Å; A521-R525 PolarHBondContact O-N 2.87Å; L523-R525 PolarHBondContact O-N 3.35Å; R525-E529 WeakPolarHBondContact O-CB 3.3Å; R525-E529 PolarHBondContact O-N 3.48Å
526S87.4Confident90.1Very high56 Ų56114.4 Ų114.439%0.39253%0.527SS..Hα-helixtrans-69.8-34176.8-1700000112.8K522 L523 Q524 R530K522-S526 PolarHBondContact O-N 3.06Å; K522-S526 VanDerWaalsContact O-N 3.12Å; L523-S526 WeakPolarHBondContact O-CB 3.28Å; L523-S526 PolarHBondContact O-N 2.84Å; L523-S526 VanDerWaalsContact O-N 3.13Å; Q524-S526 VanDerWaalsContact C-N 3.28Å; Q524-S526 PolarHBondContact O-N 3.38Å; S526-R530 WeakPolarHBondContact O-CG 3.34Å; S526-R530 PolarHBondContact O-N 2.93Å; S526-R530 VanDerWaalsContact O-N 3.08Å
527E88.4Confident90.6Very high109 Ų109113.4 Ų113.451%0.50953%0.525SS..Hα-helixtrans-72.3-45.8174.8-177.4164.8-15500112L523 Q524 E529 R530 I531L523-E527 PolarHBondContact O-N 3.23Å; Q524-E527 PolarHBondContact O-N 2.95Å; Q524-E527 VanDerWaalsContact O-N 3.09Å; E527-E529 VanDerWaalsContact C-N 3.3Å; E527-E529 PolarHBondContact O-N 3.4Å; E527-R530 CarbonylContact O-C 3.59Å; E527-R530 WeakPolarHBondContact O-CA 3.32Å; E527-R530 WeakPolarHBondContact O-CB 3.36Å; E527-R530 PolarHBondContact O-N 3.08Å; E527-R530 VanDerWaalsContact O-N 3.09Å; E527-I531 HydrophobicContact CG-CD1 4.01Å; E527-I531 WeakPolarHBondContact O-CG1 3.3Å; E527-I531 PolarHBondContact O-N 3.35Å
528E90.6Very high90.8Very high117 Ų117113.9 Ų113.955%0.54752%0.522SS..Hα-helixtrans-56.5-43.5172-73.3177.2176.500111.5Q524 R530 I531 L532Q524-E528 WeakPolarHBondContact O-CB 3.31Å; Q524-E528 WeakPolarHBondContact O-CG 3.33Å; Q524-E528 PolarHBondContact O-N 3.34Å; E528-R530 VanDerWaalsContact C-N 3.35Å; E528-R530 PolarHBondContact O-N 2.96Å; E528-I531 PolarHBondContact O-N 2.87Å; E528-L532 WeakPolarHBondContact O-CB 3.42Å; E528-L532 WeakPolarHBondContact O-CG 3.38Å; E528-L532 PolarHBondContact O-N 2.98Å
529E91.8Very high91Very high92 Ų92113.1 Ų113.143%0.4353%0.527SS..Hα-helixtrans-62.6-40.8175.4-160.6-163168.100111.8R525 E527 L532 R533R525-E529 WeakPolarHBondContact O-CB 3.3Å; R525-E529 PolarHBondContact O-N 3.48Å; E527-E529 VanDerWaalsContact C-N 3.3Å; E527-E529 PolarHBondContact O-N 3.4Å; E529-L532 PolarHBondContact O-N 2.85Å; E529-R533 WeakPolarHBondContact O-CB 3.39Å; E529-R533 WeakPolarHBondContact O-CG 3.43Å; E529-R533 PolarHBondContact O-N 2.82Å; E529-R533 IonicContact OE1-CZ 2.66Å; E529-R533 IonicContact OE1-NE 3.03Å; E529-R533 PolarHBondContact OE1-NE 3.36Å; E529-R533 IonicContact OE1-NH2 2.64Å; E529-R533 PolarHBondContact OE1-NH2 3.4Å; E529-R533 IonicContact OE2-NH2 3.83Å
530R91.1Very high91.2Very high184 Ų184109.6 Ų109.669%0.69452%0.519SS*.Hα-helixtrans-62.9-42.2173.5-80.5175.7167.5168.9-1.4112S526 E527 E528 R533 K534S526-R530 WeakPolarHBondContact O-CG 3.34Å; S526-R530 PolarHBondContact O-N 2.93Å; S526-R530 VanDerWaalsContact O-N 3.08Å; E527-R530 CarbonylContact O-C 3.59Å; E527-R530 WeakPolarHBondContact O-CA 3.32Å; E527-R530 WeakPolarHBondContact O-CB 3.36Å; E527-R530 PolarHBondContact O-N 3.08Å; E527-R530 VanDerWaalsContact O-N 3.09Å; E528-R530 VanDerWaalsContact C-N 3.35Å; E528-R530 PolarHBondContact O-N 2.96Å; R530-R533 PolarHBondContact O-N 3.32Å; R530-K534 WeakPolarHBondContact O-CB 3.45Å; R530-K534 PolarHBondContact O-N 3.1Å
531I91.8Very high91.1Very high76 Ų76108.3 Ų108.339%0.3951%0.512SS..Hα-helixtrans-64.8-42.9176.9-68165.2000110.4E527 E528 K534 K535E527-I531 HydrophobicContact CG-CD1 4.01Å; E527-I531 WeakPolarHBondContact O-CG1 3.3Å; E527-I531 PolarHBondContact O-N 3.35Å; E528-I531 PolarHBondContact O-N 2.87Å; I531-K534 PolarHBondContact O-N 2.89Å; I531-K535 HydrophobicContact CG2-CD 4.03Å; I531-K535 HydrophobicContact CG2-CG 4.39Å; I531-K535 WeakPolarHBondContact O-CB 3.28Å; I531-K535 VanDerWaalsContact O-CG 3.32Å; I531-K535 WeakPolarHBondContact O-CG 3.31Å; I531-K535 PolarHBondContact O-N 2.82Å
532L92.2Very high91Very high116 Ų116110.1 Ų110.161%0.60752%0.523SS*.Hα-helixtrans-63.9-44.6175.3-77.1167.1000112.1E528 E529 K534 K535 K536E528-L532 WeakPolarHBondContact O-CB 3.42Å; E528-L532 WeakPolarHBondContact O-CG 3.38Å; E528-L532 PolarHBondContact O-N 2.98Å; E529-L532 PolarHBondContact O-N 2.85Å; L532-K534 VanDerWaalsContact C-N 3.35Å; L532-K534 PolarHBondContact O-N 3.44Å; L532-K535 PolarHBondContact O-N 2.92Å; L532-K536 VanDerWaalsContact O-CB 3.31Å; L532-K536 WeakPolarHBondContact O-CB 3.48Å; L532-K536 PolarHBondContact O-N 3.49Å
533R91.9Very high90.7Very high153 Ų153114.5 Ų114.558%0.57754%0.536SS*.Hα-helixtrans-59.8-44.1173.8-73.7168.1177.2-139.89111E529 R530 K536 L537E529-R533 WeakPolarHBondContact O-CB 3.39Å; E529-R533 WeakPolarHBondContact O-CG 3.43Å; E529-R533 PolarHBondContact O-N 2.82Å; E529-R533 IonicContact OE1-CZ 2.66Å; E529-R533 IonicContact OE1-NE 3.03Å; E529-R533 PolarHBondContact OE1-NE 3.36Å; E529-R533 IonicContact OE1-NH2 2.64Å; E529-R533 PolarHBondContact OE1-NH2 3.4Å; E529-R533 IonicContact OE2-NH2 3.83Å; R530-R533 PolarHBondContact O-N 3.32Å; R533-K536 PolarHBondContact O-N 2.84Å; R533-L537 WeakPolarHBondContact O-CG 3.3Å; R533-L537 PolarHBondContact O-N 2.98Å
534K95.5Very high90.8Very high137 Ų137115.7 Ų115.760%0.59654%0.542SS*.Hα-helixtrans-62.6-51.8175.1-174.5-176.5174.9-174.30111.6R530 I531 L532 K536 L537 D538R530-K534 WeakPolarHBondContact O-CB 3.45Å; R530-K534 PolarHBondContact O-N 3.1Å; I531-K534 PolarHBondContact O-N 2.89Å; L532-K534 VanDerWaalsContact C-N 3.35Å; L532-K534 PolarHBondContact O-N 3.44Å; K534-K536 VanDerWaalsContact C-N 3.25Å; K534-K536 PolarHBondContact O-N 3.18Å; K534-L537 CarbonylContact O-C 3.59Å; K534-L537 WeakPolarHBondContact O-CB 3.41Å; K534-L537 PolarHBondContact O-N 3.02Å; K534-D538 PolarHBondContact O-N 3.21Å
535K95.8Very high90.5Very high137 Ų137117.8 Ų117.860%0.59655%0.549SS*.Hα-helixtrans-55.5-39.2175.8-75.6175.7177.8178.50112.1I531 L532 S539I531-K535 HydrophobicContact CG2-CD 4.03Å; I531-K535 HydrophobicContact CG2-CG 4.39Å; I531-K535 WeakPolarHBondContact O-CB 3.28Å; I531-K535 VanDerWaalsContact O-CG 3.32Å; I531-K535 WeakPolarHBondContact O-CG 3.31Å; I531-K535 PolarHBondContact O-N 2.82Å; L532-K535 PolarHBondContact O-N 2.92Å; K535-S539 VanDerWaalsContact O-CB 3.26Å; K535-S539 WeakPolarHBondContact O-CB 3.46Å; K535-S539 PolarHBondContact O-N 3.03Å
536K95.8Very high89.5Confident150 Ų150118.1 Ų118.165%0.65255%0.55SS**Hα-helixtrans-66.8-42.2175.4-173.1173.4-178.5175.60112.1L532 R533 K534 S539 I540L532-K536 VanDerWaalsContact O-CB 3.31Å; L532-K536 WeakPolarHBondContact O-CB 3.48Å; L532-K536 PolarHBondContact O-N 3.49Å; R533-K536 PolarHBondContact O-N 2.84Å; K534-K536 VanDerWaalsContact C-N 3.25Å; K534-K536 PolarHBondContact O-N 3.18Å; K536-S539 PolarHBondContact O-N 3.36Å; K536-I540 HydrophobicContact CG-CD1 4.25Å; K536-I540 VanDerWaalsContact O-CG1 3.3Å; K536-I540 WeakPolarHBondContact O-CG1 3.49Å; K536-I540 PolarHBondContact O-N 3.32Å
537L93.5Very high88.4Confident106 Ų106120.6 Ų120.656%0.55557%0.565SS**Hα-helixtrans-64.2-46.4173.4-72.1171000111.6R533 K534 S539 I540 M541R533-L537 WeakPolarHBondContact O-CG 3.3Å; R533-L537 PolarHBondContact O-N 2.98Å; K534-L537 CarbonylContact O-C 3.59Å; K534-L537 WeakPolarHBondContact O-CB 3.41Å; K534-L537 PolarHBondContact O-N 3.02Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.9Å; L537-I540 PolarHBondContact O-N 3Å; L537-I540 VanDerWaalsContact O-N 3.17Å; L537-M541 WeakPolarHBondContact O-CB 3.43Å; L537-M541 VanDerWaalsContact O-CG 3.31Å; L537-M541 WeakPolarHBondContact O-CG 3.34Å; L537-M541 PolarHBondContact O-N 3.43Å
538D93.3Very high87Confident79 Ų79122.5 Ų122.542%0.42258%0.584SS.*Hα-helixtrans-62.2-36.2176.9-69.6-29.2000111.7K534 S542K534-D538 PolarHBondContact O-N 3.21Å; D538-S542 VanDerWaalsContact O-CB 3.26Å; D538-S542 WeakPolarHBondContact O-CB 3.32Å; D538-S542 PolarHBondContact O-N 3.21Å; D538-S542 PolarHBondContact O-OG 2.92Å
539S92Very high85.3Confident78 Ų78121.8 Ų121.855%0.54559%0.592SS.*Hα-helixtrans-65-43.4172.7-175.70000112.5K535 K536 L537 S542 R543K535-S539 VanDerWaalsContact O-CB 3.26Å; K535-S539 WeakPolarHBondContact O-CB 3.46Å; K535-S539 PolarHBondContact O-N 3.03Å; K536-S539 PolarHBondContact O-N 3.36Å; L537-S539 VanDerWaalsContact C-N 3.3Å; L537-S539 PolarHBondContact O-N 2.9Å; S539-S542 WeakPolarHBondContact CA-OG 3.3Å; S539-S542 PolarHBondContact O-OG 3.47Å; S539-S542 VanDerWaalsContact O-OG 3.05Å; S539-R543 PolarHBondContact O-N 3.41Å; S539-R543 VanDerWaalsContact O-N 3.14Å
540I90.2Very high83.2Confident84 Ų84123.2 Ų123.243%0.43161%0.607SS.*Hα-helixtrans-66.2-46.3174.7-68.3163.8000110.3K536 L537 S542 R543 I544K536-I540 HydrophobicContact CG-CD1 4.25Å; K536-I540 VanDerWaalsContact O-CG1 3.3Å; K536-I540 WeakPolarHBondContact O-CG1 3.49Å; K536-I540 PolarHBondContact O-N 3.32Å; L537-I540 PolarHBondContact O-N 3Å; L537-I540 VanDerWaalsContact O-N 3.17Å; I540-S542 PolarHBondContact O-N 2.96Å; I540-R543 WeakPolarHBondContact O-CB 3.31Å; I540-R543 PolarHBondContact O-N 3.2Å; I540-R543 VanDerWaalsContact O-N 3.14Å; I540-I544 HydrophobicContact CG2-CD1 3.71Å; I540-I544 HydrophobicContact CG2-CG1 4.48Å; I540-I544 WeakPolarHBondContact O-CG1 3.34Å; I540-I544 PolarHBondContact O-N 2.82Å
541M87.5Confident81.1Confident88 Ų88119.9 Ų119.943%0.43361%0.607SS.*Hα-helixtrans-64.9-37.4179.8-73.4-179.668.100112.6L537 R543 I544 K545L537-M541 WeakPolarHBondContact O-CB 3.43Å; L537-M541 VanDerWaalsContact O-CG 3.31Å; L537-M541 WeakPolarHBondContact O-CG 3.34Å; L537-M541 PolarHBondContact O-N 3.43Å; M541-R543 VanDerWaalsContact C-N 3.31Å; M541-I544 PolarHBondContact O-N 3.41Å; M541-K545 WeakPolarHBondContact O-CB 3.3Å; M541-K545 VanDerWaalsContact O-CG 3.3Å; M541-K545 WeakPolarHBondContact O-CG 3.5Å; M541-K545 PolarHBondContact O-N 3.03Å
542S87Confident79Confident62 Ų62123.3 Ų123.343%0.43463%0.626SS.*Hα-helixtrans-73.9-19.9174.457.30000113.4D538 S539 I540 R546D538-S542 VanDerWaalsContact O-CB 3.26Å; D538-S542 WeakPolarHBondContact O-CB 3.32Å; D538-S542 PolarHBondContact O-N 3.21Å; D538-S542 PolarHBondContact O-OG 2.92Å; S539-S542 WeakPolarHBondContact CA-OG 3.3Å; S539-S542 PolarHBondContact O-OG 3.47Å; S539-S542 VanDerWaalsContact O-OG 3.05Å; I540-S542 PolarHBondContact O-N 2.96Å; S542-R546 PolarHBondContact O-NE 2.81Å
543R86.8Confident76.7Confident199 Ų199125.1 Ų125.175%0.75164%0.635SS**Hα-helixtrans-77.9-36.7167.7-166.5174.4-176.8172.21112.2S539 I540 M541S539-R543 PolarHBondContact O-N 3.41Å; S539-R543 VanDerWaalsContact O-N 3.14Å; I540-R543 WeakPolarHBondContact O-CB 3.31Å; I540-R543 PolarHBondContact O-N 3.2Å; I540-R543 VanDerWaalsContact O-N 3.14Å; M541-R543 VanDerWaalsContact C-N 3.31Å
544I87.6Confident74.6Confident132 Ų132124.1 Ų124.168%0.67765%0.647SS**Hα-helixtrans-78.7-40.2177.9-65.2168.7000112.2I540 M541 R546I540-I544 HydrophobicContact CG2-CD1 3.71Å; I540-I544 HydrophobicContact CG2-CG1 4.48Å; I540-I544 WeakPolarHBondContact O-CG1 3.34Å; I540-I544 PolarHBondContact O-N 2.82Å; M541-I544 PolarHBondContact O-N 3.41Å; I544-R546 VanDerWaalsContact C-N 3.25Å; I544-R546 PolarHBondContact O-N 3.06Å
545K82Confident72.1Confident159 Ų159124 Ų12469%0.69166%0.66SS**SBendtrans-74.3-11.9177.9-75.4-176.5174.8-176.40113.6M541 P547M541-K545 WeakPolarHBondContact O-CB 3.3Å; M541-K545 VanDerWaalsContact O-CG 3.3Å; M541-K545 WeakPolarHBondContact O-CG 3.5Å; M541-K545 PolarHBondContact O-N 3.03Å; K545-P547 VanDerWaalsContact O-CD 3.24Å; K545-P547 WeakPolarHBondContact O-CD 3.36Å; K545-P547 VanDerWaalsContact O-N 3.16Å
546R68.4Low69.5Low167 Ų167120.4 Ų120.463%0.6366%0.662SS**SBendtrans-65.9113.2170.6-128.8179.9-62.8171.4-2.6106.5S542 I544 V548S542-R546 PolarHBondContact O-NE 2.81Å; I544-R546 VanDerWaalsContact C-N 3.25Å; I544-R546 PolarHBondContact O-N 3.06Å; R546-V548 PolarHBondContact O-N 3.26Å
547P63.2Low66.9Low108 Ų108119.7 Ų119.770%0.70167%0.67SS**  trans-59.1141.3176.526.8-33.6000107.8K545 S549K545-P547 VanDerWaalsContact O-CD 3.24Å; K545-P547 WeakPolarHBondContact O-CD 3.36Å; K545-P547 VanDerWaalsContact O-N 3.16Å; P547-S549 PolarHBondContact O-N 3.36Å
548V59Low64.4Low148 Ų148120.5 Ų120.590%0.89768%0.679SS**  trans-70.280.7172.2-1770000106.9R546 T550R546-V548 PolarHBondContact O-N 3.26Å; V548-T550 PolarHBondContact O-N 2.93Å
549S54.7Low62.2Low103 Ų103121 Ų12172%0.7269%0.69SS**  trans-68.7104.8178.356.50000108.3P547P547-S549 PolarHBondContact O-N 3.36Å
550T47.1Very low60Low121 Ų121126.2 Ų126.274%0.74271%0.705SS**  trans-6.4119.9169.1-49.50000115.9V548 N552V548-T550 PolarHBondContact O-N 2.93Å; T550-N552 PolarHBondContact O-N 3.5Å
551V47.8Very low57.8Low114 Ų114127.7 Ų127.769%0.69172%0.723SS**  trans-45.1116164.9178.90000110.5L553V551-L553 HydrophobicContact CG1-CD1 4.02Å; V551-L553 HydrophobicContact CG1-CG 4.02Å
552N47Very low55.5Low148 Ų148132.4 Ų132.479%0.79174%0.744SS**  trans-127.8112.3157.6-95.5-19.4000108.2T550T550-N552 PolarHBondContact O-N 3.5Å
553L45.2Very low53.1Low154 Ų154135.6 Ų135.681%0.80677%0.765SS**  trans-91.4119.7177.2-71.3152.5000108.6V551V551-L553 HydrophobicContact CG1-CD1 4.02Å; V551-L553 HydrophobicContact CG1-CG 4.02Å
554T46.5Very low50.9Low133 Ų133131.8 Ų131.882%0.81676%0.764SS**  trans-139110.3167.3440000109.5
555P44.8Very low48.6Very low134 Ų134133.1 Ų133.187%0.8777%0.77SS**  trans-88.4145.7175.134.9-32.1000111.3
556G40.3Very low46.6Very low62 Ų62131 Ų13164%0.63977%0.767SS**  trans150.197.3173.700000113.7
557T41.2Very low45.2Very low135 Ų135132 Ų13283%0.82878%0.784SS**  31.5124.1123.960.60000117.4
558T41.7Very low44.2Very low122 Ų122134.7 Ų134.775%0.74879%0.787SS**  cis-159.5164.641.543.40000114.1
559S46.4Very low43.2Very low91 Ų91133.5 Ų133.564%0.63679%0.785SS**  trans64.8109147.159.30000122.1
560E45.1Very low42.5Very low186 Ų186134.1 Ų134.187%0.86979%0.785SS**  89.9148.9127.9-68171.1-151.800122.4
561S44.8Very low42.1Very low115 Ų115135 Ų13580%0.80479%0.785SS**  trans76.372.4177.165.50000119.5
562E38.2Very low41.7Very low187 Ų187134.5 Ų134.587%0.87478%0.782SS**  trans13.4119.8131.6-56.8179.9155.300119.8
563C38.3Very low41.4Very low130 Ų130132.8 Ų132.888%0.87878%0.777SS**  trans-142.3107.7143.8-1700000109.4
564T40.6Very low41.2Very low119 Ų119133.9 Ų133.973%0.7378%0.778SS**  trans-81.3122.6-164.1-55.90000112.8N566T564-N566 HydrophobicContact CG2-CB 4.48Å; T564-N566 PolarHBondContact O-N 3.02Å
565I39.1Very low40.8Very low159 Ų159132.9 Ų132.982%0.81578%0.776SS**  trans-77109.2163-49.4165.4000107.4
566N38.4Very low40.6Very low115 Ų115130.9 Ų130.962%0.61577%0.766SS**  trans-173.8128.4157.6-102.1-24.2000112.5T564T564-N566 HydrophobicContact CG2-CB 4.48Å; T564-N566 PolarHBondContact O-N 3.02Å
567L40.7Very low40.5Very low188 Ų188135.4 Ų135.498%0.98477%0.774SS**  trans-144.976147.9-90.8116.3000108.4
568Q41.2Very low40.6Very low165 Ų165134.4 Ų134.477%0.77177%0.768SS**  trans-83.8139.7147-71.4177.5-3000107.7
569S38.8Very low41.1Very low122 Ų122134.6 Ų134.685%0.85377%0.771SS**  159.7148.3122.2-79.40000111.7
570T39Very low40.7Very low117 Ų117141 Ų14172%0.71878%0.783SS**  trans-89.4176.1176.953.30000111.4
571D40.1Very low40.3Very low140 Ų140137.9 Ų137.975%0.74978%0.777SS**  trans71.1153.9159.8-65.7-62.2000118
572T38.9Very low40.2Very low102 Ų102140.5 Ų140.563%0.62678%0.78SS**  cis174.7143.5-25.4-90.40000103.4
573T39.4Very low40.5Very low112 Ų112135.3 Ų135.369%0.68777%0.77SS**  trans68.3120.2169.346.20000122.2
574Q41Very low41Very low178 Ų178135 Ų13583%0.83277%0.769SS**  trans68.1115.4132.5-62.6-174.257.600121.1
575S39.3Very low41.6Very low111 Ų111134.6 Ų134.678%0.77677%0.768SS**  144.6135.6102.7-161.70000114.2
576S39.3Very low41.9Very low92 Ų92133.1 Ų133.164%0.64376%0.762SS**  trans73.6122.9141.1-176.70000122.4
577L38.5Very low42.1Very low157 Ų157135.5 Ų135.582%0.82277%0.767SS**  trans81.1119.6146.1-100.461000122.3
578V44.5Very low42.1Very low114 Ų114133.7 Ų133.769%0.69176%0.756SS**  trans-25.4148.9157.7-78.70000119.5
579P50.7Low42.1Very low127 Ų127131.5 Ų131.583%0.82575%0.754SS**PPolyproline II helixtrans-95.4136.7154.135-27.8000112.5
580Y39.8Very low42.2Very low224 Ų224133.4 Ų133.488%0.87876%0.755SS**PPolyproline II helixtrans-88.3160.7173.6-105.4-96.2000113
581T36.3Very low42.2Very low121 Ų121137 Ų13774%0.74276%0.763SS**PPolyproline II helixtrans-57.8153175.7-44.10000115.7
582I42.4Very low42.3Very low170 Ų170139.2 Ų139.287%0.87277%0.769SS**  trans-179145.4142.4-92.1146.3000107.5
583A44.5Very low42.5Very low79 Ų79139 Ų13965%0.65377%0.77SS**  cis-170150.6-31.500000108
584S49.7Very low42.6Very low124 Ų124139.9 Ų139.987%0.86778%0.775SS**  trans-175.8141.8139.5-1010000111.6
585P51.3Low42.9Very low110 Ų110138.3 Ų138.371%0.71477%0.771SS**  trans-112.7157.8-167.340.7-31.8000114.4
586D45.6Very low43Very low128 Ų128140.5 Ų140.568%0.68477%0.774SS**  -171126.2107.3-114.2-18.4000115.2
587K43.6Very low43.6Very low165 Ų165142.7 Ų142.772%0.71778%0.783SS**  trans64126.2137.1-75.4164.7-165.4-65.90124.2
588I40.5Very low43.9Very low149 Ų149143.9 Ų143.976%0.76478%0.784SS**  trans82.989.7146.1-58.2157.5000114.8
589V40.8Very low43.7Very low119 Ų119142.7 Ų142.772%0.72179%0.787SS**  80.8101.572.8170.80000113.5
590N41.3Very low43.7Very low162 Ų162142.9 Ų142.987%0.86679%0.788SS**  -171.3146.9117.9-90.6-32.8000110.5
591Q38.1Very low43.7Very low192 Ų192141.7 Ų141.790%0.89779%0.787SS**  trans-114.8149.3-174.9-65171.8-1200110.8
592E42Very low44Very low188 Ų188145 Ų14588%0.87980%0.796SS**  -171.7165.7128.3-103.4-137.5110.100110.9
593P43.8Very low43.8Very low98 Ų98145.4 Ų145.464%0.63680%0.795SS**  -115.4170.6-129.741.7-36.9000116.2
594T40.9Very low43.8Very low129 Ų129149.3 Ų149.379%0.79180%0.803SS**  trans-115.8136.7162.6-59.70000109.1
595I47.4Very low43.5Very low146 Ų146150.6 Ų150.675%0.74980%0.8SS**  trans-93.8112.5-178.1-61.3167.3000108.7V597I595-V597 HydrophobicContact CG2-CG2 4.08Å
596D42.5Very low42.8Very low157 Ų157149.5 Ų149.584%0.8480%0.8SS**  trans-115.2128.7159.8-85.6-48.5000108.3
597V50.9Low42.8Very low138 Ų138148.5 Ų148.584%0.83680%0.804SS**  trans-97.9111.4-179.1175.70000109.7I595I595-V597 HydrophobicContact CG2-CG2 4.08Å
598E44.6Very low42.9Very low181 Ų181149.3 Ų149.385%0.84681%0.81SS**PPolyproline II helixtrans-82.4145.7179.4-170.9175.2-165.300112.1
599A42Very low43Very low90 Ų90148.4 Ų148.474%0.74481%0.805SS**PPolyproline II helixtrans-96.3123.9177.500000111.4
600P50.6Low43Very low130 Ų130153.9 Ų153.984%0.84481%0.814SS**PPolyproline II helixtrans-83.9132.6-176.731.7-33.5000112.8
601K38.1Very low42.9Very low199 Ų199149 Ų14987%0.86580%0.803SS**PPolyproline II helixtrans-97.7143.4158.7-68174.9179.3172.90109
602M43.5Very low42.9Very low190 Ų190146.4 Ų146.494%0.93680%0.8SS**  trans-140.3143.5150.4-80.9-137.5-59.600110.9
603E37.4Very low42.8Very low180 Ų180142.1 Ų142.184%0.84179%0.791SS**  trans-74.7161.6175.2-62.316312200110.7
604I45.6Very low42.4Very low161 Ų161145.5 Ų145.583%0.82680%0.804SS**  160.6140.6107.5-84.6166.1000104.8
605N43.1Very low42.3Very low150 Ų150142.8 Ų142.880%0.80280%0.802SS**  cis-141.6-172.82.1-150.9-14.8000110.2
606A36Very low41.8Very low87 Ų87147.1 Ų147.172%0.71981%0.809SS**  trans-134.6134.9166.300000112.6
607S46.3Very low41.7Very low108 Ų108145.1 Ų145.176%0.75580%0.804SS**  trans-147.7135.3169.4-660000111.3
608E44.6Very low41Very low181 Ų181142.5 Ų142.585%0.84679%0.792SS**  trans61.2126.8162.7-60.9-178.5135.700118.8
609I43.5Very low40.7Very low130 Ų130140 Ų14067%0.66778%0.784SS**  cis133.6121.60.2-84.5168.4000107.8
610Y40.9Very low40.6Very low234 Ų234145.3 Ų145.392%0.91879%0.786SS**  trans58.3143.2178.8-52.1-55.2000116.6
611G39.3Very low40.1Very low61 Ų61147 Ų14763%0.62978%0.782SS**  cis171.1165.7-3.800000111.2
612T38.2Very low40.3Very low136 Ų136145 Ų14583%0.83478%0.776SS**  trans64.4104.6163.755.20000121.1
613S39.4Very low40.2Very low98 Ų98141.1 Ų141.169%0.68576%0.763SS**  64.5121.2126.966.70000123.2
614N36.3Very low40.4Very low169 Ų169137.8 Ų137.890%0.90476%0.755SS**  trans53.996.5131.8-58.3-16.3000119.5
615G38.8Very low39.9Very low73 Ų73136.3 Ų136.375%0.75375%0.749SS**  trans-174.6116.516100000113.4
616R37Very low39.6Very low237 Ų237137.1 Ų137.189%0.89475%0.748SS**  trans-88.2126172.3177.4-169.8180-151.41.7110.1
617P39.8Very low39.6Very low115 Ų115138.4 Ų138.475%0.74775%0.752SS**  -134.3149.5128.329.8-14.1000110.6
618S37Very low39.2Very low83 Ų83138.5 Ų138.558%0.5875%0.752SS**  cis8789.836-169.80000115.6
619L38.4Very low38.7Very low129 Ų129138.6 Ų138.668%0.67576%0.758SS**  trans83.6147.6138.7-72.6170.5000122.7
620Y38Very low38.4Very low201 Ų201137.4 Ų137.479%0.78876%0.761SS**  trans71.2145.7166-58.4-64.2000116.2
621E41.8Very low38Very low164 Ų164134.2 Ų134.277%0.76676%0.76SS**  cis-134.4147.715.6-79.3-171.8154.900111
622E42.4Very low37.9Very low157 Ų157137.5 Ų137.573%0.73477%0.768SS**  71.3144.296.7-158.1167.9-161.700113.9
623T40Very low37.7Very low109 Ų109138.8 Ų138.867%0.66977%0.769SS**  cis-15013119.7-1.50000107.8
624V41.6Very low37.7Very low111 Ų111141.7 Ų141.767%0.67378%0.775SS**  102128.293.5160.20000117.3
625N36.5Very low37.9Very low129 Ų129142.7 Ų142.769%0.6977%0.774SS**  trans65.4149.9158.9-69.5-13.3000121.7
626Q36.2Very low37.9Very low168 Ų168146 Ų14679%0.78578%0.775SS**  cis-175.3125.4-35.7-123.5-173.683.800107.9
627S36.5Very low38Very low113 Ų113142.7 Ų142.779%0.7978%0.775SS**  trans154.6159.5147.855.20000113.1
628S37.9Very low38Very low110 Ų110145.7 Ų145.777%0.76978%0.784SS**  trans75.168.8168.8-48.70000117.4S630S628-S630 PolarHBondContact O-N 3.29Å
629L33Very low38.4Very low183 Ų183150.8 Ų150.896%0.95880%0.795SS**  trans-67.7116.7165.7-71.2170.1000111.3
630S38.3Very low38.5Very low106 Ų106152.6 Ų152.674%0.74181%0.806SS**  trans-136.9135.9159.9540000109.1S628 T632S628-S630 PolarHBondContact O-N 3.29Å; S630-T632 PolarHBondContact O-N 2.96Å
631N32.4Very low38.5Very low166 Ų166150.5 Ų150.589%0.88881%0.808SS**  trans-77.9113.1-164.7-63.1-52.7000112.4
632T35.5Very low38.6Very low131 Ų131148.5 Ų148.580%0.80481%0.807SS**  trans-141.8146.4156.751.20000111.2S630S630-T632 PolarHBondContact O-N 2.96Å
633L35.4Very low38.4Very low162 Ų162147 Ų14785%0.84880%0.804SS**  trans60.4108.4163.5-119.165.3000118.2
634I39.5Very low38.3Very low159 Ų159149 Ų14982%0.81581%0.81SS**  -165.2106.9103.8-85.3145.4000106.2
635E39.1Very low37.9Very low191 Ų191147.7 Ų147.789%0.89380%0.803SS**  trans-122.180.2167.7-158.1177-142.200107.6
636N38.6Very low38.3Very low142 Ų142147.1 Ų147.176%0.75980%0.799SS**  trans-154.7103.5172.3-87.5-45.9000107.5
637D40.2Very low38.5Very low167 Ų167145 Ų14589%0.89379%0.789SS**  trans159.684.2145.5-85.7-15.5000111.3
638L40Very low38.6Very low179 Ų179145.1 Ų145.194%0.93778%0.781SS**  trans-143.853.5168.5-104.4168.2000111.5
639K44.4Very low38.7Very low190 Ų190147.6 Ų147.683%0.82678%0.78SS**  trans-139.2102.9166-73.5-179.9-177.5167.70110
640N41.8Very low39.3Very low167 Ų167144.8 Ų144.889%0.89377%0.77SS**  trans155.3103.8144.2-78.2-20.5000110.2
641N36.4Very low39.6Very low156 Ų156145 Ų14583%0.83477%0.769SS**  trans-116.9121166.2179.60.7000107.8
642V44.4Very low39.9Very low123 Ų123142.7 Ų142.775%0.74577%0.766SS**  trans-132109176.2-1790000109.3
643N37.9Very low39.9Very low126 Ų126141.9 Ų141.967%0.67476%0.761SS**  trans11.8132.4151.3-52.8-31.2000119.5
644N37.9Very low40Very low149 Ų149140.3 Ų140.380%0.79776%0.758SS**  178.2139.4111.3-85.7-28.5000114.3R261R261-N644 PolarHBondContact NH2-O 3.48Å
645T34.9Very low39.8Very low85 Ų85138.5 Ų138.552%0.52176%0.755SS.*  trans-125.9151.4-172.1-57.70000111.7Q262 P263Q262-T645 WeakPolarHBondContact O-CG2 3.46Å; P263-T645 HydrophobicContact CG-CG2 4.04Å
646L44.5Very low39.7Very low116 Ų116133.9 Ų133.961%0.60775%0.749SS**  trans-169120.4162.6-162.970.7000111.3R261R261-L646 WeakPolarHBondContact CD-O 3.16Å; R261-L646 VanDerWaalsContact NH1-N 3.17Å; R261-L646 PolarHBondContact NH1-O 3.14Å
647E39.3Very low40Very low123 Ų123134.6 Ų134.658%0.57575%0.751SS**  trans22.2160.4148.9-40.3-44.4106.200122
648D39.8Very low40Very low117 Ų117134.9 Ų134.963%0.62675%0.753SS**  cis-158152.624.9-110.7-40.1000114.9
649H38.6Very low40Very low162 Ų162130.1 Ų130.175%0.7575%0.747SS**  trans32.3113.4150.3-68.2-50.5000127.4
650V46.8Very low39.6Very low124 Ų124130.9 Ų130.975%0.75275%0.753SS**  83.6164.890.4-115.10000120.3
651P44.7Very low39.6Very low111 Ų111127.2 Ų127.272%0.72175%0.747SS**  -136.7-178.5-109.648.6-30.5000119.8
652S37.1Very low39.8Very low116 Ų116125 Ų12581%0.81174%0.743SS**  trans-175177.8144.1-90.30000114.4
653T36.4Very low39.5Very low115 Ų115126.6 Ų126.671%0.70675%0.748SS**  cis-176153.2-45.4-67.10000109.3
654T36.6Very low40Very low128 Ų128128.8 Ų128.879%0.78576%0.759SS**  trans86.9148.2166-39.60000117.9
655T36.4Very low40Very low121 Ų121130.8 Ų130.874%0.74276%0.761SS**  cis-166.9147.9-40-80.80000107.3
656A37Very low40.4Very low94 Ų94134.2 Ų134.278%0.77778%0.776SS**  trans-105.5150.8173.800000112.7
657I45.6Very low40.2Very low157 Ų157134.1 Ų134.181%0.80578%0.78SS**  trans-138.4124.4172.5-48.6177.7000109.6
658N38.9Very low40.1Very low173 Ų173133.8 Ų133.893%0.92579%0.792SS**  trans-120.3143.8164.7-84.5-28.8000108.3
659G40.5Very low39.8Very low79 Ų79135.3 Ų135.381%0.81480%0.799SS**  trans-145.7121.3173.200000111
660E36.7Very low39.8Very low206 Ų206135.5 Ų135.596%0.96381%0.806SS**  trans-91.6146.8171.5-63.9-176.5138.600110
661A40.2Very low39.3Very low91 Ų91139.4 Ų139.475%0.75281%0.808SS**  trans-140.9111.7172.700000112.4
662S41Very low39.1Very low109 Ų109142.6 Ų142.676%0.76282%0.819SS**  trans36.1124.3143.559.30000121.5
663N38.3Very low39.1Very low156 Ų156143.4 Ų143.483%0.83481%0.814SS**  trans-47.7148.6161.4-45.2-67.8000114.4
664N48.3Very low39.3Very low172 Ų172144.9 Ų144.992%0.9282%0.817SS**  trans-139.7139.8141.5-92.2-33.9000108.8
665K38.6Very low39.4Very low192 Ų192142.2 Ų142.284%0.83582%0.815SS**  trans-96.8141170.6-70.4176.4177.3176.80108.6
666D44.2Very low39.6Very low156 Ų156144.3 Ų144.383%0.83482%0.822SS**  trans164.3149.7146.4-89.5-31.6000106
667T39.1Very low39.7Very low114 Ų114146.1 Ų146.170%0.69982%0.823SS**  cis175.3164.2-11.6-93.10000102.6
668S37.4Very low39.4Very low117 Ų117144.2 Ų144.282%0.81882%0.824SS**  trans85.4121.4173.4-59.60000119.1
669L32.6Very low39.4Very low149 Ų149141.3 Ų141.378%0.7882%0.817SS**  trans-65.7154.7168.6-62.3153.4000111.8
670N39.3Very low39.2Very low165 Ų165145.5 Ų145.588%0.88282%0.82SS**  -160.2145.2127.4-100.6-26.8000111.9
671Y35.6Very low39.6Very low206 Ų206143.5 Ų143.581%0.80882%0.815SS**  trans-75145.6176.9-72.4-113000110.9
672L40.9Very low39.8Very low179 Ų179149.8 Ų149.894%0.93782%0.821SS**  -163.8176119.6-126.174.2000111
673N38.2Very low39.8Very low132 Ų132150 Ų15071%0.70682%0.82SS**  trans-116.2175.2-146.2-142.841.6000114.3
674D39.8Very low40Very low146 Ų146148.5 Ų148.578%0.78182%0.821SS**  trans80.2137.3155.6-50.6-39.6000120.5
675G39.4Very low39.6Very low72 Ų72148.8 Ų148.874%0.74282%0.817SS**  trans142.932.7154.700000122.3
676D39.4Very low39.6Very low165 Ų165144.7 Ų144.788%0.88282%0.819SS**  trans44.9146.4155.9-63.1-19.4000124.1
677T40.9Very low39.4Very low132 Ų132143.5 Ų143.581%0.8181%0.811SS**  trans-140.3167.6179.859.80000113.3
678S39Very low39.4Very low118 Ų118150 Ų15083%0.82582%0.823SS**  trans100.1129.2144.3-580000120
679S37.6Very low39.8Very low111 Ų111151.5 Ų151.578%0.77682%0.822SS**  trans-161.4117.4144.3177.60000110.7
680L37.4Very low40Very low167 Ų167148.4 Ų148.487%0.87481%0.813SS**  -179.8154.8124.2-95.4176.4000112.2
681L45.6Very low40.1Very low164 Ų164147.5 Ų147.586%0.85981%0.808SS**  trans93.2143.6169.7-129.172.5000120.4
682Y43.1Very low40Very low224 Ų224142.8 Ų142.888%0.87880%0.804SS**  trans-81.2157.9-163-82.7-115.4000115.9
683P40.8Very low39.9Very low114 Ų114140.6 Ų140.674%0.7480%0.798SS**  trans-121.9151.3161.838.3-26.1000114.7
684S43Very low39.9Very low123 Ų123140.1 Ų140.186%0.8680%0.8SS**  trans-136.2114.6157.2-890000108.6
685Q40.6Very low39.8Very low178 Ų178139.7 Ų139.783%0.83280%0.797SS**  trans-142.5139.3171-73.3-170.522.900110.5
686A38.1Very low39.9Very low106 Ų106144.8 Ų144.888%0.87680%0.798SS**  trans-84.5132.2170.300000110.4
687I39.7Very low39.8Very low131 Ų131143 Ų14367%0.67279%0.789SS**  trans-114.5129.2178.4-62.8174.7000108.7N689I687-N689 WeakPolarHBondContact CG2-OD1 3.45Å
688R39.8Very low39.7Very low250 Ų250143.2 Ų143.294%0.94379%0.785SS**  trans-115.8112.9159.7-75.1-167.9-67.6-162-2.7107.9
689N46.1Very low39.8Very low149 Ų149142.2 Ų142.280%0.79778%0.778SS**  trans-88.7139.7171.3-68.1-19.6000109.5I687I687-N689 WeakPolarHBondContact CG2-OD1 3.45Å
690S36.8Very low39.9Very low85 Ų85145.1 Ų145.159%0.59479%0.785SS**  trans-107.5168.1161.466.60000109.7
691D40.7Very low40Very low145 Ų145141.7 Ų141.778%0.77578%0.781SS**  trans100.1140.5173.2-50.2-5.3000112.7
692C33.4Very low40Very low108 Ų108139.4 Ų139.473%0.7378%0.778SS**  cis-173.1125.4-191630000107.4
693T38.6Very low40.2Very low132 Ų132135.2 Ų135.281%0.8178%0.779SS**  trans179.6112.1144.3270000113
694T38Very low40.4Very low122 Ų122135 Ų13575%0.74878%0.78SS**  42.2140.9128.6-27.30000122.8
695I38.8Very low41.3Very low138 Ų138134.3 Ų134.371%0.70877%0.771SS**  trans109.899.3152.5-56.4-176.3000116.5
696K40.6Very low42.2Very low178 Ų178131 Ų13177%0.77477%0.765SS**  trans50.4134.1130.6-60.9-179.7-170.9176.30118.7
697N37.9Very low43.2Very low128 Ų128134 Ų13468%0.68476%0.76SS**  cis-163.5161.923.5-100.8-16000113
698N38.3Very low44.3Very low136 Ų136133 Ų13373%0.72775%0.751SS**  trans69.9109.1146-66.45.1000123.8
699S40.5Very low45.9Very low97 Ų97130.4 Ų130.468%0.67875%0.747SS**  trans59.7101130.364.20000121.3
700N40Very low47.3Very low172 Ų172125.9 Ų125.992%0.9273%0.727SS**  -163.8153.893-90.8-24.5000111.4
701A40.9Very low48.9Very low96 Ų96125.3 Ų125.379%0.79373%0.728SS**  trans-104.5142.6-15500000115.8
702S43.9Very low50.3Low115 Ų115124.2 Ų124.280%0.80472%0.721SS**  trans-160.3139.8145.7-81.10000109.3
703P47.4Very low52.1Low137 Ų137122.4 Ų122.489%0.8970%0.704SS**PPolyproline II helixtrans-83122.2-164.931.2-34.3000113
704S46.1Very low53.4Low109 Ų109122 Ų12276%0.76269%0.692SS**PPolyproline II helixtrans-102.3133.6170.7-174.40000110.7
705T61.3Low54.8Low108 Ų108120.5 Ų120.566%0.66369%0.687SS**PPolyproline II helixtrans-67.6146.4-178.944.80000112.9Q707T705-Q707 PolarHBondContact O-N 3.08Å
706P59.8Low56.1Low109 Ų109120.4 Ų120.471%0.70869%0.686SS**PPolyproline II helixtrans-64.5122.8-176.926-34.5000112.5
707Q59.3Low57.3Low168 Ų168117.5 Ų117.579%0.78568%0.678SS**PPolyproline II helixtrans-85.6116.8173-67.4-172.7-7.700110.8T705T705-Q707 PolarHBondContact O-N 3.08Å
708F62.3Low57.9Low110 Ų110114.2 Ų114.248%0.48267%0.674SS.*PPolyproline II helixtrans-76.8128.8171.7-69.4-85.4000110.7S710 L713F708-S710 VanDerWaalsContact C-N 3.28Å; F708-S710 PolarHBondContact O-N 2.92Å; F708-L713 HydrophobicContact CB-CB 4.21Å; F708-L713 HydrophobicContact CD1-CD2 4.5Å
709K73.2Confident58.5Low197 Ų197114.3 Ų114.386%0.85768%0.68SS**SBendtrans-73.7-7.9-173.8-67.3-172.6177.5-174.80115.2
710S75.4Confident58.7Low53 Ų53113.1 Ų113.137%0.37168%0.683SS.*  trans-105124178.457.20000111.8F708 L712 L713 Q714F708-S710 VanDerWaalsContact C-N 3.28Å; F708-S710 PolarHBondContact O-N 2.92Å; S710-L712 PolarHBondContact O-N 2.82Å; S710-L712 VanDerWaalsContact O-N 3.07Å; S710-L713 PolarHBondContact O-N 2.81Å; S710-L713 VanDerWaalsContact OG-CD1 3.26Å; S710-L713 WeakPolarHBondContact OG-CD1 3.43Å; S710-Q714 PolarHBondContact O-N 3.24Å
711A70.1Confident59Low74 Ų74116.7 Ų116.761%0.61268%0.684SS**Hα-helixtrans-56.2-27.4179.800000113.3S715A711-S715 PolarHBondContact O-N 2.92Å; A711-S715 PolarHBondContact O-OG 3.47Å
712L71.7Confident59Low121 Ų121120.3 Ų120.363%0.63469%0.689SS**Hα-helixtrans-67.7-45.7174.9-172.867000112.4S710 Q714 S715 M716S710-L712 PolarHBondContact O-N 2.82Å; S710-L712 VanDerWaalsContact O-N 3.07Å; L712-Q714 VanDerWaalsContact C-N 3.32Å; L712-S715 PolarHBondContact O-N 3.16Å; L712-S715 PolarHBondContact O-OG 2.71Å; L712-S715 VanDerWaalsContact O-OG 3.12Å; L712-M716 HydrophobicContact CD1-CG 4.47Å; L712-M716 HydrophobicContact CD1-SD 4.19Å; L712-M716 HydrophobicContact CG-SD 4.05Å; L712-M716 WeakPolarHBondContact O-CB 3.4Å; L712-M716 VanDerWaalsContact O-CG 3.3Å; L712-M716 WeakPolarHBondContact O-CG 3.27Å; L712-M716 PolarHBondContact O-N 3.49Å
713L69.9Low58.9Low70 Ų70119.1 Ų119.137%0.36668%0.68SS.*Hα-helixtrans-68.8-35174.3-94.3130.4000111.5F708 S710 S715 M716 L717F708-L713 HydrophobicContact CB-CB 4.21Å; F708-L713 HydrophobicContact CD1-CD2 4.5Å; S710-L713 PolarHBondContact O-N 2.81Å; S710-L713 VanDerWaalsContact OG-CD1 3.26Å; S710-L713 WeakPolarHBondContact OG-CD1 3.43Å; L713-S715 PolarHBondContact O-N 2.67Å; L713-M716 PolarHBondContact O-N 2.9Å; L713-L717 HydrophobicContact CD2-CD1 4.2Å; L713-L717 HydrophobicContact CD2-CD2 4.21Å; L713-L717 PolarHBondContact O-N 2.94Å
714Q66.4Low58.7Low123 Ų123118 Ų11858%0.57567%0.671SS**Hα-helixtrans-65.5-25.6176.9-149.6164.731.300113S710 L712S710-Q714 PolarHBondContact O-N 3.24Å; L712-Q714 VanDerWaalsContact C-N 3.32Å
715S67.3Low58.5Low91 Ų91121.9 Ų121.964%0.63668%0.677SS**Hα-helixtrans-95.4-25173.245.40000113.9A711 L712 L713A711-S715 PolarHBondContact O-N 2.92Å; A711-S715 PolarHBondContact O-OG 3.47Å; L712-S715 PolarHBondContact O-N 3.16Å; L712-S715 PolarHBondContact O-OG 2.71Å; L712-S715 VanDerWaalsContact O-OG 3.12Å; L713-S715 PolarHBondContact O-N 2.67Å
716M65.7Low57.6Low137 Ų137121.2 Ų121.268%0.67568%0.682SS**Hα-helixtrans-84.8-34.6178-76.1-174.659.800115.1L712 L713L712-M716 HydrophobicContact CD1-CG 4.47Å; L712-M716 HydrophobicContact CD1-SD 4.19Å; L712-M716 HydrophobicContact CG-SD 4.05Å; L712-M716 WeakPolarHBondContact O-CB 3.4Å; L712-M716 VanDerWaalsContact O-CG 3.3Å; L712-M716 WeakPolarHBondContact O-CG 3.27Å; L712-M716 PolarHBondContact O-N 3.49Å; L713-M716 PolarHBondContact O-N 2.9Å
717L65.8Low56.9Low117 Ų117124.8 Ų124.861%0.61369%0.687SS**SBendtrans-105.60.7-167.9-101.775.1000116.4L713L713-L717 HydrophobicContact CD2-CD1 4.2Å; L713-L717 HydrophobicContact CD2-CD2 4.21Å; L713-L717 PolarHBondContact O-N 2.94Å
718G50.8Low56.1Low59 Ų59125.2 Ų125.261%0.60870%0.695SS**  trans58.5113.815700000118.7
719T51.7Low55.2Low137 Ų137123.3 Ų123.384%0.8470%0.699SS**  trans-123.4110.9149.352.80000108.1
720G44Very low53.7Low73 Ų73120.8 Ų120.875%0.75370%0.7SS**  trans-78.5148.9-16400000115
721R45.3Very low52.2Low247 Ų247124.9 Ų124.993%0.93273%0.727SS**  trans-128.895.2140-78.6-163.5167.4-168.6-3.4109.7
722L41.5Very low50.7Low172 Ų172124.8 Ų124.890%0.90173%0.733SS**  trans-63.3144152.9-68.6162.5000108
723S42.7Very low49.2Very low89 Ų89127.1 Ų127.162%0.62275%0.745SS**  trans66.7124.8-179.4-158.50000113.1
724T43.3Very low47.9Very low113 Ų113129.8 Ų129.869%0.69377%0.77SS**SBendcis-144.6123.536.745.40000111.6
725H40.6Very low46.7Very low191 Ų191127.5 Ų127.588%0.88478%0.779SS**SBendtrans175.7-10.3148.3-105.3-65.5000113.7K727H725-K727 PolarHBondContact O-N 3.32Å
726A43.8Very low45.5Very low95 Ų95131.3 Ų131.379%0.78579%0.789SS**  trans-94.147177.700000113.5
727K43.5Very low44.3Very low183 Ų183133.6 Ų133.680%0.79680%0.798SS**  trans-113.21.4-179.2-102.4-175.6175.7-177.10116.1H725H725-K727 PolarHBondContact O-N 3.32Å
728D42.6Very low43.4Very low178 Ų178137.8 Ų137.895%0.95281%0.811SS**SBendtrans-99.212.6168.6-78.3-34000113.5
729A44.1Very low42.9Very low69 Ų69141 Ų14157%0.5782%0.824SS**SBendtrans-134.1142.5165.900000108.9
730V42.4Very low42.6Very low144 Ų144137.7 Ų137.787%0.87382%0.817SS**SBendtrans74.452.2-176.4-157.30000114.8
731C44.2Very low42.4Very low139 Ų139142.1 Ų142.194%0.93982%0.824SS**  trans-131.683.8150.2-1060000108.8
732G37.8Very low42.5Very low72 Ų72135.1 Ų135.174%0.74281%0.811SS**  trans174.534.1-173.800000114.9
733L39.4Very low42.6Very low171 Ų171132.7 Ų132.790%0.89580%0.802SS**  trans-153.153.4-175.5-111.1144.5000113.3
734S42.9Very low42.5Very low126 Ų126139 Ų13988%0.88181%0.814SS**  trans-155.889.7162.358.80000109.7
735G40.5Very low42.4Very low75 Ų75140.3 Ų140.377%0.77382%0.816SS**  trans-166.954-167.500000114.4
736M43.3Very low42.7Very low170 Ų170141.8 Ų141.884%0.83781%0.814SS**  trans32.194.9158-62-171.171.800118.9K738M736-K738 PolarHBondContact O-N 2.88Å
737Q40.8Very low43.3Very low186 Ų186143.5 Ų143.587%0.86982%0.817SS**  32.386.2112.6-166.7-179.612.100116.6
738K45.2Very low43.2Very low204 Ų204144 Ų14489%0.88782%0.823SS**  trans-143.2122.6149.2-107.4171.9-173.4176.60110.3M736M736-K738 PolarHBondContact O-N 2.88Å
739S41.2Very low43.1Very low127 Ų127138.4 Ų138.489%0.88881%0.807SS**  trans-68.9133.6175.349.50000111.5
740G45.2Very low43.2Very low67 Ų67140.4 Ų140.469%0.69182%0.817SS**  trans160.8114.6169.800000111.5P742G740-P742 VanDerWaalsContact O-CD 3.31Å; G740-P742 WeakPolarHBondContact O-CD 3.49Å
741N39.9Very low43.2Very low166 Ų166141.1 Ų141.189%0.88882%0.816SS**  trans-64.6126.6171.5-67-28.4000109.9
742P48.4Very low42.9Very low101 Ų101144 Ų14466%0.65682%0.815SS**  trans-97.3103156.829.8-16.1000108.5G740 Y744G740-P742 VanDerWaalsContact O-CD 3.31Å; G740-P742 WeakPolarHBondContact O-CD 3.49Å; P742-Y744 PolarHBondContact O-N 2.82Å; P742-Y744 VanDerWaalsContact O-N 3.13Å
743V42.8Very low43.2Very low120 Ų120148.3 Ų148.373%0.72782%0.816SS**  trans-60111.1156.51720000106.3L745V743-L745 HydrophobicContact CG1-CB 4.49Å; V743-L745 PolarHBondContact O-N 2.99Å
744Y39.7Very low43.5Very low221 Ų221145.1 Ų145.187%0.86780%0.803SS**  trans-76.682.8166.3-101.5-79.8000108.9P742P742-Y744 PolarHBondContact O-N 2.82Å; P742-Y744 VanDerWaalsContact O-N 3.13Å
745L41.5Very low43.5Very low142 Ų142145.4 Ų145.474%0.74381%0.805SS**  trans-55.3141.7168.2-165.166.7000109V743V743-L745 HydrophobicContact CG1-CB 4.49Å; V743-L745 PolarHBondContact O-N 2.99Å
746W46.7Very low44Very low221 Ų221150.9 Ų150.984%0.83781%0.808SS**  trans-56.8147165.7-7567.5000109.5E748W746-E748 PolarHBondContact O-N 2.77Å
747P56.5Low44.1Very low131 Ų131147.9 Ų147.985%0.85180%0.8SS**  trans-72.275.8159.830.2-29.7000109.2G749P747-G749 PolarHBondContact O-N 2.88Å
748E41.3Very low44.2Very low194 Ų194146.2 Ų146.291%0.90780%0.798SS**  trans-74.3108.3148.1-88.2-168.3144.500107.4W746W746-E748 PolarHBondContact O-N 2.77Å
749G41.8Very low44.2Very low60 Ų60142.3 Ų142.362%0.61980%0.796SS**  trans-170.465.318000000107.5P747P747-G749 PolarHBondContact O-N 2.88Å
750S46.4Very low44.6Very low112 Ų112141.2 Ų141.278%0.78379%0.789SS**  67.978.487.178.60000112.4
751D41.4Very low44.7Very low159 Ų159142.3 Ų142.385%0.8579%0.786SS**  trans-140.455.4150.3-91.8-34.8000108.9E753D751-E753 VanDerWaalsContact C-N 3.33Å
752H39.2Very low45Very low198 Ų198140.1 Ų140.192%0.91778%0.783SS**  trans-99.154.9161.2-98.5-45.1000110V754H752-V754 PolarHBondContact O-N 3.1Å
753E43.6Very low45.6Very low164 Ų164141.2 Ų141.277%0.76679%0.788SS**  trans-84.595.6167.8-97.3-80.4123.500110.2D751D751-E753 VanDerWaalsContact C-N 3.33Å
754V44.4Very low46Very low104 Ų104140.7 Ų140.763%0.6379%0.787SS**  trans40.6106.4139.4-171.10000117.9H752H752-V754 PolarHBondContact O-N 3.1Å
755S44.8Very low46.7Very low131 Ų131139 Ų13992%0.91679%0.787SS**  trans-142.474.1144.7-74.70000111.2
756K49.9Very low47Very low191 Ų191143.9 Ų143.983%0.8381%0.814SS**  trans-103.7160.8143-76.8-175.2179-1790106.6
757P46Very low47Very low106 Ų106140.1 Ų140.169%0.68881%0.813SS**  cis-123.5167.29.840.7-27.4000114
758D43.4Very low46.5Very low151 Ų151140.5 Ų140.581%0.80781%0.811SS**  -163.3109.8121.6-97.6-22.4000109.8
759S45Very low46.8Very low123 Ų123137.6 Ų137.686%0.8681%0.805SS**  trans-151.967.7171.3-63.70000106.4S761S759-S761 PolarHBondContact O-N 2.92Å
760S49.7Very low47.1Very low104 Ų104142.1 Ų142.173%0.72782%0.816SS**  trans-68.2115.2176.849.40000110.1
761S47.1Very low47.1Very low90 Ų90144 Ų14463%0.62982%0.818SS**  trans22.4116.6156.660.70000118.6S759 V763S759-S761 PolarHBondContact O-N 2.92Å; S761-V763 PolarHBondContact O-N 2.81Å
762S46.4Very low47.5Very low119 Ų119143 Ų14383%0.83282%0.816SS**  trans-55.5120.3140.254.80000110
763V59.4Low48.1Very low124 Ų124139.1 Ų139.175%0.75281%0.809SS**  trans-131.1111.7156.7179.10000106.9S761S761-V763 PolarHBondContact O-N 2.81Å
764P51.8Low48.4Very low109 Ų109137.2 Ų137.271%0.70881%0.812SS**  trans-101.3120.5168.533.5-25000110.3
765Q55.2Low48.7Very low186 Ų186139.9 Ų139.987%0.86983%0.827SS**  trans-174123.1151.2-108.916412.700111.7
766N46.3Very low49.1Very low245 Ų245140.7 Ų140.7100%1.3182%0.819SS**  trans56.60172.4-71.3-15.4000118.8

Retrieved 766 of 766 residues in 141.6 ms (Link to these results)