A0A3Q0KMF0_SCHMA Loading...

Proline-rich protein PRCC

AlphaFold DB , UniProt , Accession A0A3Q0KMF0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.8Low57.1Low242 Ų242135.8 Ų135.8100%1.19282%0.823SS**  0169.40-66.316881.900107.8
2A54.5Low56.7Low100 Ų100138.8 Ų138.883%0.82682%0.821SS**  trans-67.9150.7-160.500000114.8
3L53.6Low55.9Low159 Ų159134.8 Ų134.883%0.83281%0.805SS**  trans-78.3144.8162.7-7580.5000109.6
4V69.9Low55.4Low115 Ų115134.1 Ų134.170%0.69780%0.795SS**  trans-134.1128.1151.31790000107.6Y6V4-Y6 HydrophobicContact CG1-CD2 3.65Å; V4-Y6 HydrophobicContact CG1-CE2 3.67Å
5S65.2Low55.3Low114 Ų114134.3 Ų134.380%0.79779%0.791SS**  trans-153.3114.9170.4-580000107
6Y69.4Low55.1Low216 Ų216136.8 Ų136.885%0.84779%0.792SS**  trans-111.3140.5178.1-78.9-78.5000109.9V4V4-Y6 HydrophobicContact CG1-CD2 3.65Å; V4-Y6 HydrophobicContact CG1-CE2 3.67Å
7G61.1Low55.4Low74 Ų74139.5 Ų139.576%0.76380%0.796SS**  trans-74.7-162.816100000111.3
8S48.3Very low55Low123 Ų123139.4 Ų139.486%0.8679%0.793SS**  cis-157.5-166.713.4-160.30000111
9S49.9Very low54.5Low105 Ų105139.2 Ų139.273%0.73479%0.788SS**  trans-16.8149.5166-121.30000118.1
10G50.4Low54.2Low63 Ų63139.1 Ų139.165%0.64979%0.79SS**  cis102.899.52.700000113.4
11E54.3Low53.7Low183 Ų183136.1 Ų136.186%0.85578%0.783SS**  trans-175.1169.9175.857.8-165.1111.200108.8
12E52.6Low53.4Low172 Ų172129 Ų12980%0.80476%0.757SS**  -158.4141.9-59.9-167.8173.1168.900110.4
13S46.1Very low52.9Low86 Ų86131.1 Ų131.160%0.60176%0.755SS**  trans66.3165.9156.564.70000122.5
14N48.1Very low52.6Low126 Ų126131.6 Ų131.667%0.67475%0.753SS**  trans80.5135.2163.4-43.2-38.4000118.1
15D54.5Low51.3Low137 Ų137130.6 Ų130.673%0.73375%0.751SS**  cis-161.3173.6-11.5-103.8-25.1000111.6
16E52.3Low50.2Low174 Ų174131.3 Ų131.381%0.81375%0.75SS**  trans-54.7172173.7-33.3-73127.700115.2
17E59.2Low48.8Very low183 Ų183127.8 Ų127.886%0.85575%0.752SS**  cis-110.8-115.83.1-59.8-171.8-117.500112.9
18D48.6Very low47.9Very low137 Ų137128.8 Ų128.873%0.73375%0.753SS**  cis-152.6172.62.1-170.916.9000111.3
19L46.5Very low47.7Very low136 Ų136128.2 Ų128.271%0.71276%0.755SS**  trans-71.9162.3177.4-61165.2000111.6
20V47.9Very low47.2Very low136 Ų136126.7 Ų126.782%0.82476%0.756SS**  cis-164.5174.67.5-114.30000107.9
21A43.7Very low46.8Very low78 Ų78129.7 Ų129.765%0.64577%0.767SS**  cis-162.4170.12.800000112
22S45.1Very low46.6Very low92 Ų92128 Ų12864%0.64376%0.762SS**  trans60.3113.4147.161.50000123
23N45.3Very low46.4Very low145 Ų145128.3 Ų128.378%0.77577%0.769SS**  64.8144.6125.1-49.1-0000119.6
24E45.2Very low46.8Very low169 Ų169133.5 Ų133.579%0.7978%0.78SS**  cis-159.6160.7-0.6-132.7173.713100111.5
25S43.8Very low47.1Very low94 Ų94134.3 Ų134.366%0.65779%0.785SS**  trans42.7105.4164.662.70000119.4
26T41.3Very low47.3Very low128 Ų128138.9 Ų138.979%0.78579%0.792SS**  52.8104.670.6750000117.6
27T41.5Very low47.5Very low143 Ų143135.9 Ų135.988%0.87779%0.785SS**  -166.4123117.818.40000113.7
28A41.9Very low47.4Very low95 Ų95133.8 Ų133.879%0.78578%0.775SS**  trans26.3122.8149.500000123.4
29A42.9Very low47.9Very low110 Ų110132 Ų13291%0.90977%0.771SS**  trans64.2125.2132.100000121.1
30G40.1Very low48.6Very low74 Ų74132.9 Ų132.976%0.76377%0.772SS**  trans142.947.9166.500000115.6I32G30-I32 PolarHBondContact O-N 2.9Å
31S42Very low49Very low125 Ų125135.4 Ų135.487%0.87477%0.772SS**  trans-72.989.1-179.855.90000112.4
32I49.4Very low49.7Very low148 Ų148139.4 Ų139.476%0.75978%0.775SS**  trans-120.8127.6159.4-62.1178.7000106.7G30 K34G30-I32 PolarHBondContact O-N 2.9Å; I32-K34 PolarHBondContact O-N 3.24Å
33L49.7Very low50.5Low179 Ų179143.3 Ų143.394%0.93779%0.785SS**  trans-59.1110.8-177.4-65.9169.1000109.8
34K53.4Low51.3Low194 Ų194147.8 Ų147.884%0.84379%0.791SS**  trans-94.3103.8168.6-71.8175.8-177170.60107.2I32 R36I32-K34 PolarHBondContact O-N 3.24Å; K34-R36 PolarHBondContact O-N 3.04Å
35D55.5Low52.4Low143 Ų143144.7 Ų144.777%0.76578%0.783SS**  trans-52.1123.2165.9-177.512000108.9
36R57.2Low53.5Low233 Ų233144 Ų14488%0.87978%0.777SS**  trans-112.856.6-170.5-168.9-178160.7141.1-4.5109.4K34 E38K34-R36 PolarHBondContact O-N 3.04Å; R36-E38 PolarHBondContact O-N 3.05Å
37V57.1Low54.8Low111 Ų111148.5 Ų148.567%0.67379%0.785SS**  trans-53.5130.1168.4-178.40000109.4
38E57Low56Low140 Ų140146.7 Ų146.765%0.65478%0.778SS**  trans-68.2138.3-175.5-60.4-171.1135.900111.5R36 E40R36-E38 PolarHBondContact O-N 3.05Å; E38-E40 HydrophobicContact CB-CG 4.48Å; E38-E40 PolarHBondContact O-N 3.18Å
39P58.7Low56.8Low98 Ų98144.4 Ų144.464%0.63676%0.76SS**THydrogen-bonded Turntrans-78.513.8-166.233.5-38.2000114.7
40E62.3Low57.4Low156 Ų156148.8 Ų148.873%0.72976%0.758SS**THydrogen-bonded Turntrans-92.6-25.9-158.3-52.2-136.2165.300113.6E38 K42E38-E40 HydrophobicContact CB-CG 4.48Å; E38-E40 PolarHBondContact O-N 3.18Å; E40-K42 PolarHBondContact O-N 2.81Å
41F55.3Low58.3Low189 Ų189151.9 Ų151.983%0.82976%0.757SS**  trans-77.742.3178.8-62.9-77000113.9M43F41-M43 PolarHBondContact O-N 2.89Å
42K59.1Low59.1Low162 Ų162150.5 Ų150.570%0.70475%0.745SS**  trans-72.992.7169.7-77.3179179.7170.50110.2E40 R44E40-K42 PolarHBondContact O-N 2.81Å; K42-R44 PolarHBondContact O-N 2.94Å; K42-R44 VanDerWaalsContact O-N 3.11Å
43M61.9Low59.4Low173 Ų173151.4 Ų151.485%0.85275%0.751SS**  trans-44117.4165.5-78.8-69-82.500110F41 V45F41-M43 PolarHBondContact O-N 2.89Å; M43-V45 VanDerWaalsContact C-N 3.3Å; M43-V45 PolarHBondContact O-N 3.02Å
44R61.5Low59.8Low239 Ų239149.9 Ų149.990%0.90274%0.743SS**  trans-76.677.7-172.4-74.7-179.9169.281.5-5.6111K42K42-R44 PolarHBondContact O-N 2.94Å; K42-R44 VanDerWaalsContact O-N 3.11Å
45V68.2Low60.1Low105 Ų105146.7 Ų146.764%0.63674%0.74SS**  trans-57.7122.4160.7-175.80000107.4M43 K47 A49M43-V45 VanDerWaalsContact C-N 3.3Å; M43-V45 PolarHBondContact O-N 3.02Å; V45-K47 PolarHBondContact O-N 3.15Å; V45-A49 HydrophobicContact CG1-CB 4.15Å
46P67.4Low60.4Low80 Ų80143.9 Ų143.952%0.51973%0.729SS.*  trans-67135.8-176.626.2-33.3000110.1S48 A49P46-S48 PolarHBondContact O-N 3.3Å; P46-A49 HydrophobicContact CG-CB 4.26Å; P46-A49 WeakPolarHBondContact O-CB 3.34Å; P46-A49 PolarHBondContact O-N 3.09Å
47K69.5Low60.7Low222 Ų222140.2 Ų140.297%0.96573%0.727SS**THydrogen-bonded Turntrans-62-8.3-177.1-66.5-175.6177.9-1790114.6V45V45-K47 PolarHBondContact O-N 3.15Å
48S66.9Low60.9Low104 Ų104138.1 Ų138.173%0.72771%0.711SS**THydrogen-bonded Turntrans-84.6-13.8172.447.80000114P46 K50P46-S48 PolarHBondContact O-N 3.3Å; S48-K50 PolarHBondContact O-N 3.25Å
49A58.6Low61.4Low48 Ų48135 Ų13540%0.39770%0.703SS.*  trans-73.585178.600000111.3V45 P46 L51V45-A49 HydrophobicContact CG1-CB 4.15Å; P46-A49 HydrophobicContact CG-CB 4.26Å; P46-A49 WeakPolarHBondContact O-CB 3.34Å; P46-A49 PolarHBondContact O-N 3.09Å; A49-L51 VanDerWaalsContact C-N 3.27Å; A49-L51 PolarHBondContact O-N 2.93Å
50K54.3Low61.7Low202 Ų202135.9 Ų135.988%0.87870%0.701SS**  trans-6888161.5-73.8-175.8177.9-179.90109S48 P52S48-K50 PolarHBondContact O-N 3.25Å; K50-P52 WeakPolarHBondContact O-CD 3.45Å
51L60.4Low62.2Low139 Ų139132.2 Ų132.273%0.72869%0.69SS**  trans-62.9125.9161.8-64176.5000107.9A49A49-L51 VanDerWaalsContact C-N 3.27Å; A49-L51 PolarHBondContact O-N 2.93Å
52P58.7Low62.9Low96 Ų96130.5 Ų130.562%0.62368%0.682SS**  trans-62.9151.8169.524.7-30.9000110.3K50 L54K50-P52 WeakPolarHBondContact O-CD 3.45Å; P52-L54 HydrophobicContact CB-CD1 4.02Å; P52-L54 HydrophobicContact CG-CD1 4.02Å; P52-L54 PolarHBondContact O-N 2.84Å
53N54.5Low63.6Low166 Ų166124.9 Ų124.989%0.88866%0.661SS**  trans-72.866.8-174.4-70.1-16.6000112.6V55N53-V55 VanDerWaalsContact C-N 3.31Å
54L57.7Low64.4Low147 Ų147127.2 Ų127.277%0.7767%0.667SS**  trans-83.1-1.2178.8-100.565.8000114.3P52 P56P52-L54 HydrophobicContact CB-CD1 4.02Å; P52-L54 HydrophobicContact CG-CD1 4.02Å; P52-L54 PolarHBondContact O-N 2.84Å; L54-P56 WeakPolarHBondContact O-CD 3.5Å
55V60.4Low65.1Low128 Ų128120.2 Ų120.278%0.77665%0.647SS**SBendtrans-89.5111.7169.3-177.30000108.2N53 N57N53-V55 VanDerWaalsContact C-N 3.31Å; V55-N57 PolarHBondContact O-N 3Å
56P60.9Low65.5Low83 Ų83118 Ų11854%0.53965%0.645SS.*  trans-62.7132.3173.926.1-33.3000109.6L54 I58L54-P56 WeakPolarHBondContact O-CD 3.5Å; P56-I58 VanDerWaalsContact C-N 3.28Å; P56-I58 PolarHBondContact O-N 3.39Å
57N63.4Low66.1Low157 Ų157120.6 Ų120.684%0.8465%0.648SS**  trans-77.278.3-178.2-172.20.8000110.5V55 P59V55-N57 PolarHBondContact O-N 3Å; N57-P59 WeakPolarHBondContact O-CD 3.16Å
58I61.8Low66.4Low66 Ų66113.6 Ų113.634%0.33862%0.624SS.*  trans-71.6118178.4-60.2171.9000108.8P56 I60 S71P56-I58 VanDerWaalsContact C-N 3.28Å; P56-I58 PolarHBondContact O-N 3.39Å; I58-I60 PolarHBondContact O-N 2.93Å; I58-I60 VanDerWaalsContact O-N 3.07Å; I58-S71 WeakPolarHBondContact CG2-O 3.37Å
59P68.8Low66.8Low76 Ų76113.1 Ų113.149%0.49461%0.613SS.*  trans-71.2106.5-179.828.4-33.8000110.8N57 V61N57-P59 WeakPolarHBondContact O-CD 3.16Å; P59-V61 PolarHBondContact O-N 3.47Å; P59-V61 VanDerWaalsContact O-N 3.09Å
60I65Low67.4Low115 Ų115116.6 Ų116.659%0.5962%0.624SS**  trans-72.599.5176.3-62.2177.8000109.3I58 V68 L70I58-I60 PolarHBondContact O-N 2.93Å; I58-I60 VanDerWaalsContact O-N 3.07Å; I60-V68 HydrophobicContact CG2-CG1 3.83Å; I60-V68 HydrophobicContact CG2-CG2 4.32Å; I60-L70 HydrophobicContact CG1-CD2 4.32Å
61V71Confident68.4Low80 Ų80109.8 Ų109.849%0.48560%0.602SS.*EExtended strand (participates in β ladder)trans-97.9126.1175.9-178.70000109.4P59 L69P59-V61 PolarHBondContact O-N 3.47Å; P59-V61 VanDerWaalsContact O-N 3.09Å; V61-L69 PolarHBondContact N-O 3.38Å; V61-L69 PolarHBondContact O-N 3Å
62K71.6Confident68.9Low152 Ų152109.2 Ų109.266%0.66160%0.604SS**EExtended strand (participates in β ladder)trans-96135.2175.5-66.2-176.3-179.7-177.50110.9K67 V68K62-K67 WeakPolarHBondContact CA-O 3.44Å; K62-V68 HydrophobicContact CG-CG2 4.2Å
63T72.6Confident69.8Low45 Ų45107.6 Ų107.628%0.27659%0.594SS.*PPolyproline II helixtrans-81.3164.3171.754.40000111.5D65 G66 K67 L69T63-D65 WeakPolarHBondContact CB-OD1 3.27Å; T63-D65 PolarHBondContact O-N 2.92Å; T63-D65 VanDerWaalsContact O-N 3.13Å; T63-D65 PolarHBondContact OG1-OD1 3.48Å; T63-G66 PolarHBondContact O-N 3.01Å; T63-K67 PolarHBondContact N-O 3.17Å; T63-K67 PolarHBondContact OG1-N 3.08Å; T63-K67 PolarHBondContact OG1-O 3.06Å; T63-L69 HydrophobicContact CG2-CD1 3.6Å; T63-L69 HydrophobicContact CG2-CD2 4.37Å; T63-L69 HydrophobicContact CG2-CG 3.84Å
64K78.4Confident70.8Confident222 Ų222106.2 Ų106.297%0.96559%0.586SS**THydrogen-bonded Turntrans-61.3-17.617964.1178.8-179.8178.50114.8
65D77.3Confident71.1Confident91 Ų91105.9 Ų105.949%0.48758%0.584SS.*THydrogen-bonded Turntrans-9819.7173.363.6-35.7000112.8T63 K67T63-D65 WeakPolarHBondContact CB-OD1 3.27Å; T63-D65 PolarHBondContact O-N 2.92Å; T63-D65 VanDerWaalsContact O-N 3.13Å; T63-D65 PolarHBondContact OG1-OD1 3.48Å; D65-K67 VanDerWaalsContact C-N 3.26Å; D65-K67 PolarHBondContact O-N 2.69Å; D65-K67 WeakPolarHBondContact OD2-CD 3.4Å; D65-K67 VanDerWaalsContact OD2-CE 3.24Å; D65-K67 WeakPolarHBondContact OD2-CE 3.49Å; D65-K67 IonicContact OD2-NZ 2.67Å; D65-K67 PolarHBondContact OD2-NZ 3.37Å
66G76.4Confident71.2Confident58 Ų58108.6 Ų108.660%0.59859%0.588SS**SBendtrans80.2-7.1169.300000115.9T63T63-G66 PolarHBondContact O-N 3.01Å
67K78.9Confident71.2Confident135 Ų135108 Ų10859%0.58759%0.591SS**PPolyproline II helixtrans-71.3147.2179.8-61.5171.3-174.5144.20110.9K62 T63 D65K62-K67 WeakPolarHBondContact CA-O 3.44Å; T63-K67 PolarHBondContact N-O 3.17Å; T63-K67 PolarHBondContact OG1-N 3.08Å; T63-K67 PolarHBondContact OG1-O 3.06Å; D65-K67 VanDerWaalsContact C-N 3.26Å; D65-K67 PolarHBondContact O-N 2.69Å; D65-K67 WeakPolarHBondContact OD2-CD 3.4Å; D65-K67 VanDerWaalsContact OD2-CE 3.24Å; D65-K67 WeakPolarHBondContact OD2-CE 3.49Å; D65-K67 IonicContact OD2-NZ 2.67Å; D65-K67 PolarHBondContact OD2-NZ 3.37Å
68V77.3Confident70.8Confident75 Ų75106.9 Ų106.946%0.45558%0.584SS.*EExtended strand (participates in β ladder)trans-90.4125.5173168.20000108.9I60 K62 L70I60-V68 HydrophobicContact CG2-CG1 3.83Å; I60-V68 HydrophobicContact CG2-CG2 4.32Å; K62-V68 HydrophobicContact CG-CG2 4.2Å; V68-L70 HydrophobicContact CG1-CD2 3.7Å; V68-L70 HydrophobicContact CG1-CG 4.08Å
69L75Confident70.6Confident95 Ų95110.7 Ų110.750%0.49761%0.605SS.*EExtended strand (participates in β ladder)trans-93.6126.3163.2-60.4177.6000108.3V61 T63V61-L69 PolarHBondContact N-O 3.38Å; V61-L69 PolarHBondContact O-N 3Å; T63-L69 HydrophobicContact CG2-CD1 3.6Å; T63-L69 HydrophobicContact CG2-CD2 4.37Å; T63-L69 HydrophobicContact CG2-CG 3.84Å
70L70.4Confident69.8Low120 Ų120111.9 Ų111.963%0.62862%0.615SS**PPolyproline II helixtrans-101.2120168.8-60178.3000107.8I60 V68 V72I60-L70 HydrophobicContact CG1-CD2 4.32Å; V68-L70 HydrophobicContact CG1-CD2 3.7Å; V68-L70 HydrophobicContact CG1-CG 4.08Å; L70-V72 PolarHBondContact O-N 2.87Å
71S76.4Confident69.1Low60 Ų60111.1 Ų111.142%0.4262%0.62SS.*PPolyproline II helixtrans-70.4123.1170.5-61.50000109.5I58I58-S71 WeakPolarHBondContact CG2-O 3.37Å
72V70.7Confident68.2Low126 Ų126114.7 Ų114.776%0.76464%0.636SS**PPolyproline II helixtrans-69129.8167.3-176.60000107.8L70L70-V72 PolarHBondContact O-N 2.87Å
73P77.4Confident67.4Low63 Ų63114.1 Ų114.141%0.40964%0.641SS.*PPolyproline II helixtrans-63142.3174.2-22.233.9000111.9L75P73-L75 PolarHBondContact O-N 3.32Å
74D74.5Confident66.2Low137 Ų137116.7 Ų116.773%0.73366%0.661SS**PPolyproline II helixtrans-63.5130.7173.7-74.1-51.8000110.8E76 A77D74-E76 PolarHBondContact O-N 3.36Å; D74-E76 VanDerWaalsContact O-N 3.14Å; D74-A77 PolarHBondContact O-N 3.39Å; D74-A77 VanDerWaalsContact O-N 3.16Å
75L63.9Low65.2Low139 Ų139113.8 Ų113.873%0.72866%0.656SS**G310 helixtrans-64.8-20.6-171.7-61.7175.6000113.5P73 A77 L78P73-L75 PolarHBondContact O-N 3.32Å; L75-A77 PolarHBondContact O-N 3.42Å; L75-L78 PolarHBondContact O-N 2.97Å; L75-L78 VanDerWaalsContact O-N 3.09Å
76E63.6Low63.7Low185 Ų185116.9 Ų116.986%0.86467%0.672SS**G310 helixtrans-62.1-21.9176.7-59.2-175-178.700112.7D74 L78D74-E76 PolarHBondContact O-N 3.36Å; D74-E76 VanDerWaalsContact O-N 3.14Å; E76-L78 VanDerWaalsContact C-N 3.32Å
77A59.8Low62.6Low72 Ų72122.8 Ų122.860%0.59568%0.684SS**G310 helixtrans-83.9-0.8176.500000114.4D74 L75D74-A77 PolarHBondContact O-N 3.39Å; D74-A77 VanDerWaalsContact O-N 3.16Å; L75-A77 PolarHBondContact O-N 3.42Å
78L56.6Low61Low132 Ų132121.8 Ų121.869%0.69169%0.694SS**SBendtrans-114.3-3.1-176.1-60.5178.9000114.1L75 E76 S80L75-L78 PolarHBondContact O-N 2.97Å; L75-L78 VanDerWaalsContact O-N 3.09Å; E76-L78 VanDerWaalsContact C-N 3.32Å; L78-S80 VanDerWaalsContact C-N 3.33Å
79D56.5Low59.3Low146 Ų146121.2 Ų121.278%0.78170%0.703SS**  trans-94.416.3176.6-156.329.9000112.5S81D79-S81 PolarHBondContact O-N 3.33Å
80S53.1Low57.9Low101 Ų101128.1 Ų128.171%0.70672%0.723SS**  trans-77.266174.866.50000111.3L78 D82L78-S80 VanDerWaalsContact C-N 3.33Å; S80-D82 PolarHBondContact O-N 3.48Å
81S50.4Low56.3Low99 Ų99130.4 Ų130.469%0.69274%0.735SS**  trans-71.290.4170.1-173.60000109.6D79 D83D79-S81 PolarHBondContact O-N 3.33Å; S81-D83 PolarHBondContact O-N 2.97Å
82D52.3Low54.7Low155 Ų155131.7 Ų131.783%0.82975%0.749SS**  trans-69.387.7176.2-167.329.7000110.4S80S80-D82 PolarHBondContact O-N 3.48Å
83D54.2Low53.5Low140 Ų140135.3 Ų135.375%0.74976%0.755SS**  trans-135.465.6-174.3-162.417.5000109.1S81S81-D83 PolarHBondContact O-N 2.97Å
84S46.7Very low52.1Low100 Ų100139.2 Ų139.270%0.69977%0.772SS**  trans-111.378.8-174.171.90000113.1
85D57.7Low50.4Low161 Ų161140.8 Ų140.886%0.86178%0.78SS**  trans-79.2121.7162.2-92.5-24.5000110.2E87D85-E87 PolarHBondContact O-N 3.26Å
86D46.8Very low49.7Very low156 Ų156143.2 Ų143.283%0.83479%0.785SS**  trans-71.2119177.8-98.7-44000111.7
87E53.2Low48.4Very low182 Ų182139 Ų13985%0.8578%0.776SS**  trans-135.1132.1155.4-101.7-58.9174.200112.5D85D85-E87 PolarHBondContact O-N 3.26Å
88S45Very low47.8Very low113 Ų113146.2 Ų146.279%0.7979%0.79SS**  trans-101.7100-159.6-81.90000113
89G41.5Very low47Very low63 Ų63150.3 Ų150.365%0.64980%0.796SS**  trans-151.990.7-171.400000119.4
90R44.4Very low46.6Very low240 Ų240150.1 Ų150.191%0.90680%0.795SS**  trans63.793.3143.5-56174.3-170.7-112.5-2.7119.3A92R90-A92 PolarHBondContact O-N 3.05Å
91L38.2Very low46.5Very low169 Ų169153.6 Ų153.689%0.88580%0.798SS**  trans2.2109.2133.8-68.3163.9000117.6
92A43.4Very low46.5Very low87 Ų87157.5 Ų157.572%0.71980%0.802SS**  trans-141.9129.4152.800000109.8R90R90-A92 PolarHBondContact O-N 3.05Å
93K43.9Very low46Very low202 Ų202159.2 Ų159.288%0.87881%0.805SS**  trans-102.9113.7-177.1-65.4174-178.9174.30110.4
94N47.7Very low45.8Very low144 Ų144155.3 Ų155.377%0.7780%0.797SS**  trans-147.671.9173.649.70.8000112.8K96N94-K96 PolarHBondContact O-N 3.15Å
95N39.4Very low46.1Very low170 Ų170157.7 Ų157.791%0.90981%0.808SS**  trans-48.2127.3163.6-72.7-26.6000111.1
96K49.8Very low45.9Very low190 Ų190156.6 Ų156.683%0.82680%0.802SS**  trans-139.6111.6157.5-107.8166.7-176174.90110N94 Y98N94-K96 PolarHBondContact O-N 3.15Å; K96-Y98 PolarHBondContact O-N 3.11Å
97S35.7Very low46.6Very low98 Ų98159.2 Ų159.269%0.68581%0.806SS**  trans-67.3128.6179.2-177.30000110.5R99S97-R99 PolarHBondContact OG-N 3.17Å
98Y47.2Very low47.2Very low222 Ų222156 Ų15687%0.87180%0.798SS**  trans-118.366.1158-84.9-83.6000109.2K96K96-Y98 PolarHBondContact O-N 3.11Å
99R40.7Very low48.7Very low218 Ų218153.7 Ų153.782%0.82378%0.783SS**  trans-119.399.7162.5-65.8-172.2-171.2-179.73.3108.5S97S97-R99 PolarHBondContact OG-N 3.17Å
100D47.1Very low50.6Low143 Ų143157.7 Ų157.777%0.76579%0.788SS**  trans-165.149.7164.9-109.6-24.8000111.8K102D100-K102 VanDerWaalsContact C-N 3.3Å; D100-K102 PolarHBondContact O-N 2.85Å
101F50.5Low52Low173 Ų173152.9 Ų152.976%0.75978%0.78SS**  trans-73.584.2170.8-81-73.4000110.5H103F101-H103 PolarHBondContact O-CE1 2.97Å; F101-H103 VanDerWaalsContact O-CE1 3.31Å; F101-H103 PolarHBondContact O-ND1 2.94Å
102K52.3Low53.7Low182 Ų182148.9 Ų148.979%0.79177%0.766SS**  trans-59.1138.7173.6-72.4-166.6174.9-174.90111.1D100 G104D100-K102 VanDerWaalsContact C-N 3.3Å; D100-K102 PolarHBondContact O-N 2.85Å; K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.11Å
103H41.1Very low55.4Low191 Ų191149.4 Ų149.488%0.88476%0.76SS**  trans-81.867.6-170.9-40-37.9000111.2F101F101-H103 PolarHBondContact O-CE1 2.97Å; F101-H103 VanDerWaalsContact O-CE1 3.31Å; F101-H103 PolarHBondContact O-ND1 2.94Å
104G49.4Very low57Low57 Ų57145.2 Ų145.259%0.58875%0.746SS**  trans-89.4139168.800000110.9K102 D106K102-G104 VanDerWaalsContact C-N 3.26Å; K102-G104 PolarHBondContact O-N 3.11Å; G104-D106 PolarHBondContact O-N 2.87Å
105T53.2Low58.3Low150 Ų150143.5 Ų143.592%0.9274%0.743SS**  trans-81.346.1-176.354.10000113.1
106D54.7Low60Low139 Ų139141.6 Ų141.674%0.74374%0.74SS**  trans-107.1143.1-179.9-81.6-54.6000112.2G104 V108G104-D106 PolarHBondContact O-N 2.87Å; D106-V108 VanDerWaalsContact C-N 3.32Å; D106-V108 PolarHBondContact O-N 2.9Å
107K61.1Low60.9Low210 Ų210137.9 Ų137.991%0.91373%0.734SS**  trans-8175.7-170.2-59.9177.5-173.2176.50110.8S109K107-S109 PolarHBondContact O-N 2.96Å
108V64.4Low62.4Low114 Ų114145.2 Ų145.269%0.69175%0.746SS**  trans-57.2103.5171.5-78.10000110.4D106D106-V108 VanDerWaalsContact C-N 3.32Å; D106-V108 PolarHBondContact O-N 2.9Å
109S77.5Confident63.2Low66 Ų66138 Ų13846%0.46273%0.733SS.*  trans-65.3139.2171.3-177.10000109K107 L111 S112K107-S109 PolarHBondContact O-N 2.96Å; S109-L111 PolarHBondContact O-N 2.9Å; S109-S112 PolarHBondContact O-N 3.07Å; S109-S112 PolarHBondContact O-OG 2.78Å
110L81.2Confident64Low147 Ų147135.3 Ų135.377%0.7773%0.734SS**G310 helixtrans-51.9-27.5176.9-75.4164.6000112.9S112 V113L110-S112 PolarHBondContact O-N 3.34Å; L110-V113 PolarHBondContact O-N 3.4Å
111L74.2Confident64.7Low139 Ų139133.7 Ų133.773%0.72872%0.724SS**G310 helixtrans-60.2-23.7174.9-63.5171.1000114.4S109S109-L111 PolarHBondContact O-N 2.9Å
112S73Confident64.9Low84 Ų84129.9 Ų129.959%0.58772%0.715SS**G310 helixtrans-90.2-2.4175.668.30000114.1S109 L110S109-S112 PolarHBondContact O-N 3.07Å; S109-S112 PolarHBondContact O-OG 2.78Å; L110-S112 PolarHBondContact O-N 3.34Å
113V80.2Confident65Low99 Ų99129.2 Ų129.260%0.671%0.707SS**THydrogen-bonded Turntrans-92.5-23.9173.2-1740000110.9L110L110-V113 PolarHBondContact O-N 3.4Å
114L77.2Confident65.2Low113 Ų113127.8 Ų127.859%0.59270%0.701SS**SBendtrans-76.2144.4177.3-62177.2000111.6
115P75.5Confident65.8Low108 Ų108127.3 Ų127.370%0.70170%0.695SS**PPolyproline II helixtrans-62141.8175.126.1-34.1000110.9T117P115-T117 PolarHBondContact O-N 3.03Å
116P74.9Confident66.4Low130 Ų130128.7 Ų128.784%0.84470%0.697SS**PPolyproline II helixtrans-52.2125.6-176.4-29.735.8000113.1R118P116-R118 PolarHBondContact O-N 3.18Å
117T67.8Low66.6Low113 Ų113132 Ų13269%0.69370%0.699SS**PPolyproline II helixtrans-65.8119.9-173.250.90000111.1P115 A119P115-T117 PolarHBondContact O-N 3.03Å; T117-A119 PolarHBondContact O-N 3.26Å
118R68.4Low66.9Low252 Ų252126.2 Ų126.295%0.95168%0.683SS**  trans-65.21.6176.6-91-177.9161.8-171-5.1115P116 L120P116-R118 PolarHBondContact O-N 3.18Å; R118-L120 PolarHBondContact O-N 2.94Å
119A62.3Low67Low70 Ų70127.3 Ų127.358%0.57968%0.682SS**  trans-68.6120.6177.700000110.2T117 I121T117-A119 PolarHBondContact O-N 3.26Å; A119-I121 PolarHBondContact O-N 3.37Å
120L57.3Low66.5Low162 Ų162129.1 Ų129.185%0.84869%0.686SS**  trans-65.397.8171.8-65.2176.2000109.2R118 V122R118-L120 PolarHBondContact O-N 2.94Å; L120-V122 VanDerWaalsContact C-N 3.29Å; L120-V122 PolarHBondContact O-N 2.88Å
121I61.8Low66Low109 Ų109125.5 Ų125.556%0.55967%0.671SS**  trans-70.291170.6-47.8176.3000107.3A119 R123A119-I121 PolarHBondContact O-N 3.37Å; I121-R123 VanDerWaalsContact C-N 3.35Å; I121-R123 HydrophobicContact CG2-CG 3.96Å; I121-R123 PolarHBondContact O-N 2.98Å
122V55.8Low65.6Low93 Ų93126 Ų12656%0.56467%0.67SS**  trans-65.194.5177.3-178.20000108.9L120 M129L120-V122 VanDerWaalsContact C-N 3.29Å; L120-V122 PolarHBondContact O-N 2.88Å; V122-M129 HydrophobicContact CG1-SD 4.29Å
123R54.3Low65.3Low168 Ų168130 Ų13063%0.63468%0.679SS**  trans-98.786.7176.1-76.6-175.7154.4116.8-5109.8I121 G125I121-R123 VanDerWaalsContact C-N 3.35Å; I121-R123 HydrophobicContact CG2-CG 3.96Å; I121-R123 PolarHBondContact O-N 2.98Å; R123-G125 VanDerWaalsContact C-N 3.26Å; R123-G125 PolarHBondContact O-N 2.78Å
124E45.2Very low64.6Low161 Ų161131.4 Ų131.475%0.75268%0.682SS**  trans-80.580.2166.3-163149.3-135.300108.9
125G62.6Low64.1Low46 Ų46131.9 Ų131.947%0.47468%0.683SS.*SBendtrans88.3-170.4-179.300000115.6R123 R127R123-G125 VanDerWaalsContact C-N 3.26Å; R123-G125 PolarHBondContact O-N 2.78Å; G125-R127 PolarHBondContact O-N 2.76Å
126N64.4Low63.4Low180 Ų180131.5 Ų131.596%0.96368%0.683SS**SBendtrans-74.924.8-168.8-66.726.2000115
127R60.2Low62.6Low208 Ų208134.4 Ų134.479%0.78568%0.683SS**SBendtrans-130.7134.7176.3-68.1-179-179.6-97.3-1.2109.8G125 M129G125-R127 PolarHBondContact O-N 2.76Å; R127-M129 PolarHBondContact O-N 2.86Å
128P66.4Low62Low88 Ų88137.4 Ų137.457%0.57169%0.686SS**  trans-66131.8170.528.7-32.8000109.3I130P128-I130 PolarHBondContact O-N 3.04Å
129M66.3Low60.9Low137 Ų137132.4 Ų132.468%0.67568%0.678SS**  trans-66.6105.9168.4-96.9-175.562.900109.3V122 R127V122-M129 HydrophobicContact CG1-SD 4.29Å; R127-M129 PolarHBondContact O-N 2.86Å
130I68.2Low60.1Low104 Ų104133.6 Ų133.653%0.53368%0.679SS.*  trans-82.9127.2169.7-61.7174.7000107.2P128 H132 L134P128-I130 PolarHBondContact O-N 3.04Å; I130-H132 PolarHBondContact O-N 3.26Å; I130-L134 HydrophobicContact CG2-CB 3.77Å
131P69.5Low59.2Low72 Ų72130.8 Ų130.847%0.46867%0.672SS.*  trans-53.5138.8173.6-2734.8000111.6Q133 L134P131-Q133 PolarHBondContact O-N 2.92Å; P131-L134 PolarHBondContact O-N 3.33Å
132H66.7Low58.4Low149 Ų149133.3 Ų133.369%0.6968%0.681SS**G310 helixtrans-57.2-24.9-177.153.9-97.6000113.6I130 L134 M135I130-H132 PolarHBondContact O-N 3.26Å; H132-L134 VanDerWaalsContact C-N 3.26Å; H132-L134 PolarHBondContact O-N 2.85Å; H132-M135 HydrophobicContact CB-SD 4.34Å; H132-M135 WeakPolarHBondContact O-CB 3.25Å; H132-M135 PolarHBondContact O-N 3.24Å
133Q67Low57.4Low167 Ų167134.2 Ų134.278%0.7869%0.687SS**G310 helixtrans-64.3-25.4173.7-63.9171-14.300113.7P131P131-Q133 PolarHBondContact O-N 2.92Å
134L65Low56.6Low129 Ų129132 Ų13268%0.67569%0.692SS**G310 helixtrans-98.43.6178.7-57.6-179000112.7I130 P131 H132 S136I130-L134 HydrophobicContact CG2-CB 3.77Å; P131-L134 PolarHBondContact O-N 3.33Å; H132-L134 VanDerWaalsContact C-N 3.26Å; H132-L134 PolarHBondContact O-N 2.85Å; L134-S136 PolarHBondContact O-N 3.33Å
135M65.9Low56.3Low123 Ų123132.9 Ų132.961%0.60669%0.693SS**  trans-8397.8177.7-64.5-178.471.900110H132 K137H132-M135 HydrophobicContact CB-SD 4.34Å; H132-M135 WeakPolarHBondContact O-CB 3.25Å; H132-M135 PolarHBondContact O-N 3.24Å; M135-K137 PolarHBondContact O-N 3.46Å; M135-K137 VanDerWaalsContact O-N 3.1Å
136S60.6Low55.4Low101 Ų101138 Ų13871%0.70671%0.705SS**  trans-61.111517552.30000110.9L134 K138L134-S136 PolarHBondContact O-N 3.33Å; S136-K138 PolarHBondContact O-N 2.87Å
137K58.7Low53.9Low191 Ų191135.3 Ų135.383%0.8370%0.695SS**  trans-65.8100.8175.1-76.2-178.1177.1176.20109.2M135 N139M135-K137 PolarHBondContact O-N 3.46Å; M135-K137 VanDerWaalsContact O-N 3.1Å; K137-N139 PolarHBondContact O-N 3.23Å
138K56Low53.2Low175 Ų175132.3 Ų132.376%0.76169%0.694SS**  trans-70.498.5170.2-62.5-177.9-176.4-177.80108S136 T140S136-K138 PolarHBondContact O-N 2.87Å; K138-T140 PolarHBondContact O-N 2.88Å
139N44.1Very low51.8Low148 Ų148133.4 Ų133.479%0.79170%0.699SS**  trans-6983.3174-70.1-9000109.5K137 S141K137-N139 PolarHBondContact O-N 3.23Å; N139-S141 PolarHBondContact O-N 3.05Å
140T45.7Very low50.8Low95 Ų95134.2 Ų134.258%0.58370%0.703SS**  trans-71.193171.4470000108.7K138 H142K138-T140 PolarHBondContact O-N 2.88Å; T140-H142 PolarHBondContact O-CD2 3.39Å; T140-H142 PolarHBondContact O-N 2.81Å; T140-H142 PolarHBondContact O-NE2 3.07Å; T140-H142 PolarHBondContact OG1-NE2 3.27Å
141S39.5Very low49.5Very low103 Ų103137.8 Ų137.872%0.7272%0.715SS**  trans-62.599.5169.643.40000109.2N139 T143N139-S141 PolarHBondContact O-N 3.05Å; S141-T143 VanDerWaalsContact C-N 3.25Å; S141-T143 PolarHBondContact O-N 3.45Å
142H43.7Very low47.9Very low161 Ų161140.6 Ų140.675%0.74573%0.731SS**  trans-71.579.8179.5-66.9-84.9000110.4T140 V144T140-H142 PolarHBondContact O-CD2 3.39Å; T140-H142 PolarHBondContact O-N 2.81Å; T140-H142 PolarHBondContact O-NE2 3.07Å; T140-H142 PolarHBondContact OG1-NE2 3.27Å; H142-V144 VanDerWaalsContact C-N 3.34Å; H142-V144 PolarHBondContact O-N 3.25Å
143T34.8Very low46.6Very low113 Ų113142.8 Ų142.869%0.69374%0.739SS**  trans-66.693.9167.851.30000109.1S141 K145S141-T143 VanDerWaalsContact C-N 3.25Å; S141-T143 PolarHBondContact O-N 3.45Å; T143-K145 PolarHBondContact O-N 2.95Å; T143-K145 VanDerWaalsContact O-N 3.09Å
144V38.8Very low45.1Very low121 Ų121141.2 Ų141.273%0.73374%0.743SS**  trans-61.1111.7175.4178.90000108.9H142 E146H142-V144 VanDerWaalsContact C-N 3.34Å; H142-V144 PolarHBondContact O-N 3.25Å; V144-E146 HydrophobicContact CG1-CB 4.01Å
145K38.6Very low43.8Very low179 Ų179138.9 Ų138.978%0.77875%0.75SS**  trans-115.659.1167.4-71-169.6177-177.10109.5T143 T147T143-K145 PolarHBondContact O-N 2.95Å; T143-K145 VanDerWaalsContact O-N 3.09Å; K145-T147 PolarHBondContact O-N 2.98Å; K145-T147 VanDerWaalsContact O-N 3.1Å; K145-T147 PolarHBondContact O-OG1 2.97Å
146E42.6Very low42.5Very low154 Ų154140.6 Ų140.672%0.7276%0.761SS**  trans-64112174.1-175.4161.6-150.600109.3V144 L148V144-E146 HydrophobicContact CG1-CB 4.01Å; E146-L148 HydrophobicContact CG-CD1 4.33Å; E146-L148 HydrophobicContact CG-CG 4.22Å; E146-L148 PolarHBondContact O-N 3.02Å
147T34Very low41.6Very low123 Ų123140.4 Ų140.476%0.75576%0.756SS**  trans-102.175.9-170.3-55.20000109.3K145K145-T147 PolarHBondContact O-N 2.98Å; K145-T147 VanDerWaalsContact O-N 3.1Å; K145-T147 PolarHBondContact O-OG1 2.97Å
148L46Very low40.7Very low146 Ų146138.6 Ų138.676%0.76475%0.75SS**  trans-93.9126.2172.4-73.2174.7000110.8E146E146-L148 HydrophobicContact CG-CD1 4.33Å; E146-L148 HydrophobicContact CG-CG 4.22Å; E146-L148 PolarHBondContact O-N 3.02Å
149T36Very low40Very low110 Ų110138.5 Ų138.568%0.67575%0.752SS**  trans-88.1138.4-179.4530000110.5
150M46.6Very low39.7Very low155 Ų155140.9 Ų140.976%0.76476%0.756SS**  166.7127.8117.2-85.3-59.4163.900112.7
151K40.9Very low39.5Very low179 Ų179141.9 Ų141.978%0.77876%0.764SS**  trans47.1112.6147.8-73.4-179174.8176.70121
152T34.1Very low39Very low131 Ų131141 Ų14180%0.80476%0.758SS**  42.4131.3128.860.60000119.2
153K40.1Very low38.8Very low195 Ų195143 Ų14385%0.84877%0.765SS**  cis-170.1144.849.7-160.4176-176.3-177.40109.8
154P35.7Very low39.3Very low134 Ų134145.2 Ų145.287%0.8777%0.767SS**  trans-85.1152.5-17733.6-35.4000113.9
155G38.6Very low39.1Very low79 Ų79146.4 Ų146.481%0.81477%0.769SS**  trans-156.3129.4174.400000111.4
156N36.9Very low39.3Very low159 Ų159144.8 Ų144.885%0.8577%0.769SS**  trans-84.3176.5-169.4-178.334.6000113.8
157V42.9Very low39.1Very low97 Ų97143.7 Ų143.759%0.58877%0.768SS**  trans115.5103.6149.4-1780000117.1
158E38.4Very low39.7Very low154 Ų154144.6 Ų144.672%0.7277%0.769SS**  trans65.3160.4145.4-71.2167.4-141.500119.8
159Q41.8Very low39.9Very low173 Ų173145 Ų14581%0.80877%0.771SS**  cis-147.1177.610.3-136159.861.700112.1
160K38.8Very low40.7Very low198 Ų198147.1 Ų147.186%0.86178%0.779SS**  trans-88.3-178.4177.5-84.1-173.8179.1-1780111.3
161P40.2Very low40.7Very low116 Ų116147.7 Ų147.775%0.75379%0.785SS**  cis-148.1-172.420.746.6-25.2000119.9
162S30.8Very low41.1Very low85 Ų85146.3 Ų146.359%0.59479%0.785SS**  trans-35.4150.9172.153.40000123.3
163F38.6Very low41.8Very low202 Ų202151.4 Ų151.489%0.88679%0.789SS**  -138.2112.2128.3-73.4-83.7000106.5
164Q45.2Very low41.8Very low159 Ų159150 Ų15074%0.74379%0.791SS**  66.4110.981.8-81-171.3-98.100115.4
165N33.7Very low42.3Very low147 Ų147149.5 Ų149.579%0.78679%0.785SS**  trans-70148.1154.5-69.11.7000109
166N43.9Very low42.3Very low144 Ų144152.6 Ų152.677%0.7778%0.783SS**  trans-122.3148.5141-73-20.2000107.2
167N38.3Very low42.8Very low132 Ų132153.5 Ų153.571%0.70679%0.786SS**  trans-89.2-157.7158.5-67.7-24.2000107.6
168D45.6Very low42.9Very low142 Ų142154.1 Ų154.176%0.75979%0.791SS**  trans77.7106.5164.5-39.9-30.4000113.1
169D51.2Low42.9Very low154 Ų154151.9 Ų151.982%0.82479%0.792SS**  -177.5114.6121.7-84.3-14.8000110.4
170D52.6Low43.3Very low155 Ų155152.1 Ų152.183%0.82979%0.79SS**  trans55.8110.2152.2-56.6-19.2000123.4
171D47.3Very low43.5Very low166 Ų166150.1 Ų150.189%0.88878%0.784SS**  trans-71.2127.6154-61.1-69.7000111.4
172I48Very low43.4Very low151 Ų151152 Ų15277%0.77479%0.788SS**  trans-164.6173.1160.5-119.6158.8000109.9
173W49.1Very low44Very low238 Ų238153.2 Ų153.290%0.90280%0.796SS**  trans84.650.1-174.2-55.979.9000117
174D41.5Very low44.2Very low166 Ų166150.3 Ų150.389%0.88879%0.79SS**  trans-128.789.7151.7-113.2-28.1000109.2
175T44.7Very low44.4Very low122 Ų122152.6 Ų152.675%0.74880%0.797SS**  trans-154.1116.8169.153.20000111.7
176D39.9Very low44.8Very low144 Ų144153 Ų15377%0.7780%0.799SS**  trans39.997.9140.8-52.4-26.4000120.4
177I46.1Very low44.5Very low178 Ų178153.4 Ų153.491%0.91380%0.802SS**  trans-128.888.7136.8-57.8-176.3000109
178T44.8Very low44.6Very low111 Ų111154.6 Ų154.668%0.68181%0.807SS**  trans-71134170.6520000111.4
179S40Very low44.3Very low106 Ų106155.7 Ų155.774%0.74181%0.808SS**  trans36.9123.1149.764.80000119.8
180K48.7Very low43.6Very low179 Ų179156.3 Ų156.378%0.77881%0.81SS**  -164.6129.6124.6-113.2-180178.7-169.60116
181Q43.3Very low43.1Very low155 Ų155153.1 Ų153.172%0.72481%0.805SS**  trans59.2117145-72.1174.4-104.800120.4
182D38.4Very low42.6Very low156 Ų156153 Ų15383%0.83481%0.805SS**  trans-58.1149.5156.2-38.3-97.9000112.3
183S43.1Very low42.6Very low110 Ų110154.5 Ų154.577%0.76981%0.808SS**  trans-166.9125155.6-79.90000110.4
184D43.9Very low42.1Very low142 Ų142147 Ų14776%0.75980%0.804SS**  trans-66144.6177.6-47.7-97000113.1
185K48.6Very low42.4Very low206 Ų206145.5 Ų145.590%0.89680%0.802SS**  -159.3141.5126.8-99.6126.2-151.1146.10112.7
186N42.3Very low42.6Very low155 Ų155148 Ų14883%0.82981%0.805SS**  trans-81.2156.3175.9-72.6-76.5000112
187N36.7Very low43.2Very low154 Ų154144.2 Ų144.282%0.82480%0.8SS**  trans66.292.5148.9-169.542000118.1
188L41.2Very low43.5Very low156 Ų156142.7 Ų142.782%0.81780%0.799SS**  trans-144.6110.4145.5-164.465.2000112.2
189E40Very low44.4Very low166 Ų166140.9 Ų140.978%0.77679%0.79SS**  trans39.5139.4135-148.7154.9-140.500122.1A191E189-A191 PolarHBondContact O-N 2.98Å
190L35.8Very low45.7Very low166 Ų166144.2 Ų144.287%0.86979%0.792SS**  trans-71.2109.3-179.6-76.471.6000112.2
191A41.2Very low46.3Very low88 Ų88143.9 Ų143.973%0.72779%0.791SS**  trans-109.2120.3159.800000110.1E189 E193E189-A191 PolarHBondContact O-N 2.98Å; A191-E193 PolarHBondContact O-N 3.38Å
192N37.7Very low47.7Very low164 Ų164140.1 Ų140.188%0.87778%0.782SS**  trans-84.696.2174.4-71-58.9000109.9
193E47.1Very low49.4Very low183 Ų183142 Ų14286%0.85578%0.783SS**  trans-110.9142.6163-71.2-158.6127.300111.5A191 T195A191-E193 PolarHBondContact O-N 3.38Å; E193-T195 PolarHBondContact O-N 2.88Å
194G38.6Very low50.7Low79 Ų79144.8 Ų144.881%0.81478%0.778SS**  trans-84.892.2-165.400000113.7E196G194-E196 PolarHBondContact O-N 2.93Å
195T48.1Very low52.1Low136 Ų136146 Ų14683%0.83478%0.776SS**  trans-80.7102.7161.749.50000109.6E193 G197E193-T195 PolarHBondContact O-N 2.88Å; T195-G197 PolarHBondContact O-N 3.13Å
196E48.9Very low53.3Low173 Ų173140.8 Ų140.881%0.80876%0.763SS**  trans-73.268175.9-66.2-157.7130.900111.7G194 V198G194-E196 PolarHBondContact O-N 2.93Å; E196-V198 PolarHBondContact O-N 3.21Å; E196-V198 VanDerWaalsContact O-N 3.15Å
197G53.7Low54.9Low65 Ų65137 Ų13767%0.6775%0.746SS**  trans-59.2115.5171.300000110.3T195 S199T195-G197 PolarHBondContact O-N 3.13Å; G197-S199 PolarHBondContact O-N 3.09Å
198V52.2Low56.7Low146 Ų146134.9 Ų134.989%0.88574%0.74SS**  trans-73.970-167.6-141.60000112.2E196 F200E196-V198 PolarHBondContact O-N 3.21Å; E196-V198 VanDerWaalsContact O-N 3.15Å; V198-F200 PolarHBondContact O-N 3.16Å
199S63.5Low58.4Low73 Ų73133 Ų13351%0.5173%0.731SS.*  trans-68.4121.6178.91800000110.9G197 F201 S202G197-S199 PolarHBondContact O-N 3.09Å; S199-F201 PolarHBondContact O-N 3.41Å; S199-S202 WeakPolarHBondContact O-CB 3.47Å; S199-S202 PolarHBondContact O-N 3.21Å; S199-S202 PolarHBondContact O-OG 2.78Å
200F67.5Low60Low177 Ų177127.6 Ų127.678%0.77671%0.707SS**THydrogen-bonded Turntrans-55.1-17178.7-173.6-104.8000114.1V198V198-F200 PolarHBondContact O-N 3.16Å
201F60.6Low61.6Low171 Ų171126.9 Ų126.975%0.7570%0.699SS**THydrogen-bonded Turntrans-104.39.6179.3-86-85.4000115.1S199 F203S199-F201 PolarHBondContact O-N 3.41Å; F201-F203 PolarHBondContact O-N 2.61Å
202S73.3Confident63.1Low76 Ų76129.3 Ų129.353%0.53170%0.696SS.*THydrogen-bonded Turntrans-70.514.1-175.561.60000116.7S199 Y204S199-S202 WeakPolarHBondContact O-CB 3.47Å; S199-S202 PolarHBondContact O-N 3.21Å; S199-S202 PolarHBondContact O-OG 2.78Å; S202-Y204 PolarHBondContact O-N 2.67Å; S202-Y204 VanDerWaalsContact O-N 3.11Å
203F74Confident64.8Low195 Ų195124.2 Ų124.286%0.85568%0.676SS**THydrogen-bonded Turntrans-65.2-11.4-177.7-84.8-82.1000115.6F201F201-F203 PolarHBondContact O-N 2.61Å
204Y70.2Confident66.2Low170 Ų170120.2 Ų120.267%0.66766%0.664SS**  trans-119.6100.2179.3-159-96000111.4S202 P206 N210S202-Y204 PolarHBondContact O-N 2.67Å; S202-Y204 VanDerWaalsContact O-N 3.11Å; Y204-P206 HydrophobicContact CD1-CG 4.16Å; Y204-P206 HydrophobicContact CE1-CB 4.47Å; Y204-P206 HydrophobicContact CE1-CG 4.3Å; Y204-P206 WeakPolarHBondContact O-CD 3.3Å; Y204-N210 PolarHBondContact OH-ND2 2.96Å
205K73.3Confident68Low168 Ų168119 Ų11973%0.7365%0.646SS**  trans-92.7110.3166.6-66.6-168.3177.1-171.50108.5T207K205-T207 PolarHBondContact O-N 2.8Å
206P73.6Confident69.4Low96 Ų96116.2 Ų116.262%0.62363%0.632SS**  trans-63.6126.3-178.8-21.433.4000111.4Y204Y204-P206 HydrophobicContact CD1-CG 4.16Å; Y204-P206 HydrophobicContact CE1-CB 4.47Å; Y204-P206 HydrophobicContact CE1-CG 4.3Å; Y204-P206 WeakPolarHBondContact O-CD 3.3Å
207T76.4Confident70.6Confident75 Ų75114.8 Ų114.846%0.4663%0.626SS.*  trans-75.5155.9170.757.50000110.1K205 N209 N210K205-T207 PolarHBondContact O-N 2.8Å; T207-N209 PolarHBondContact O-N 3.26Å; T207-N210 WeakPolarHBondContact O-CB 3.36Å; T207-N210 PolarHBondContact O-N 3.4Å; T207-N210 PolarHBondContact OG1-ND2 2.82Å; T207-N210 PolarHBondContact OG1-OD1 2.82Å
208P74.7Confident71.7Confident109 Ų109121 Ų12171%0.70863%0.629SS**Hα-helixtrans-56.6-35.4-179.819.1-31.7000113.4N210 H211 E212P208-N210 PolarHBondContact O-N 3.44Å; P208-H211 PolarHBondContact O-N 2.93Å; P208-H211 VanDerWaalsContact O-N 3.08Å; P208-E212 PolarHBondContact O-N 2.96Å; P208-E212 VanDerWaalsContact O-N 3.16Å
209N75.5Confident72.8Confident117 Ų117116.3 Ų116.363%0.62661%0.606SS**Hα-helixtrans-54.8-33.4172.9-79.728.5000113.3T207 E212 A213T207-N209 PolarHBondContact O-N 3.26Å; N209-E212 PolarHBondContact O-N 3.44Å; N209-A213 VanDerWaalsContact O-CB 3.3Å; N209-A213 WeakPolarHBondContact O-CB 3.34Å; N209-A213 PolarHBondContact O-N 2.94Å
210N73.7Confident73.4Confident52 Ų52115.6 Ų115.628%0.27860%0.604SS.*Hα-helixtrans-70.8-35.2-179.6-62.3-10.7000111.2Y204 T207 P208 V214Y204-N210 PolarHBondContact OH-ND2 2.96Å; T207-N210 WeakPolarHBondContact O-CB 3.36Å; T207-N210 PolarHBondContact O-N 3.4Å; T207-N210 PolarHBondContact OG1-ND2 2.82Å; T207-N210 PolarHBondContact OG1-OD1 2.82Å; P208-N210 PolarHBondContact O-N 3.44Å; N210-V214 WeakPolarHBondContact O-CG2 3.48Å; N210-V214 PolarHBondContact O-N 2.94Å; N210-V214 VanDerWaalsContact O-N 3.1Å
211H69.6Low73.7Confident151 Ų151109.8 Ų109.870%0.69959%0.589SS**Hα-helixtrans-69.3-40.4175.6-170.3-88.6000111.2P208 A215P208-H211 PolarHBondContact O-N 2.93Å; P208-H211 VanDerWaalsContact O-N 3.08Å; H211-A215 WeakPolarHBondContact O-CB 3.27Å; H211-A215 PolarHBondContact O-N 3.29Å
212E73.6Confident74.2Confident139 Ų139106.7 Ų106.765%0.6558%0.58SS**Hα-helixtrans-66.5-41.5174.5-171.1172.6-176.300112.3P208 N209 A215 S216P208-E212 PolarHBondContact O-N 2.96Å; P208-E212 VanDerWaalsContact O-N 3.16Å; N209-E212 PolarHBondContact O-N 3.44Å; E212-A215 PolarHBondContact O-N 3.22Å; E212-S216 VanDerWaalsContact O-CB 3.28Å; E212-S216 WeakPolarHBondContact O-CB 3.35Å; E212-S216 PolarHBondContact O-N 3.29Å
213A72.9Confident74.1Confident57 Ų57108.9 Ų108.947%0.47158%0.582SS.*Hα-helixtrans-59.6-48175.600000112.1N209 A215 S216 E217N209-A213 VanDerWaalsContact O-CB 3.3Å; N209-A213 WeakPolarHBondContact O-CB 3.34Å; N209-A213 PolarHBondContact O-N 2.94Å; A213-A215 PolarHBondContact O-N 2.83Å; A213-S216 PolarHBondContact O-N 2.56Å; A213-E217 PolarHBondContact O-N 3.14Å
214V75.9Confident73.6Confident99 Ų99102.5 Ų102.560%0.657%0.565SS**Hα-helixtrans-64.7-38.3177.21710000111.6N210 R218N210-V214 WeakPolarHBondContact O-CG2 3.48Å; N210-V214 PolarHBondContact O-N 2.94Å; N210-V214 VanDerWaalsContact O-N 3.1Å; V214-R218 VanDerWaalsContact O-CB 3.29Å; V214-R218 WeakPolarHBondContact O-CB 3.34Å; V214-R218 PolarHBondContact O-N 3.46Å
215A76.7Confident73.1Confident53 Ų5398.8 Ų98.844%0.43856%0.56SS.*Hα-helixtrans-65.3-41.6174.600000112.1H211 E212 A213 R218 A219H211-A215 WeakPolarHBondContact O-CB 3.27Å; H211-A215 PolarHBondContact O-N 3.29Å; E212-A215 PolarHBondContact O-N 3.22Å; A213-A215 PolarHBondContact O-N 2.83Å; A215-R218 PolarHBondContact O-N 3.44Å; A215-A219 WeakPolarHBondContact O-CB 3.27Å; A215-A219 PolarHBondContact O-N 3.09Å
216S78.8Confident72.4Confident78 Ų7899.6 Ų99.655%0.54556%0.559SS.*Hα-helixtrans-65.9-45.4178.6-171.30000112.1E212 A213 R218 A219 A220E212-S216 VanDerWaalsContact O-CB 3.28Å; E212-S216 WeakPolarHBondContact O-CB 3.35Å; E212-S216 PolarHBondContact O-N 3.29Å; A213-S216 PolarHBondContact O-N 2.56Å; S216-R218 PolarHBondContact O-N 2.83Å; S216-A219 PolarHBondContact O-N 2.88Å; S216-A220 WeakPolarHBondContact O-CB 3.5Å; S216-A220 PolarHBondContact O-N 3.42Å
217E73.7Confident71.6Confident144 Ų144101.9 Ų101.967%0.67356%0.559SS**Hα-helixtrans-62.7-42.5175.2-173.5174.4-172.600111.6A213 A219 A220 A221A213-E217 PolarHBondContact O-N 3.14Å; E217-A219 VanDerWaalsContact C-N 3.31Å; E217-A219 PolarHBondContact O-N 3.35Å; E217-A220 PolarHBondContact O-N 3.31Å; E217-A221 PolarHBondContact O-N 2.88Å
218R75.2Confident70.6Confident194 Ų194106.2 Ų106.273%0.73257%0.571SS**Hα-helixtrans-63-36.9175.6-163.3178.4-167.3-166.35112.2V214 A215 S216 L222V214-R218 VanDerWaalsContact O-CB 3.29Å; V214-R218 WeakPolarHBondContact O-CB 3.34Å; V214-R218 PolarHBondContact O-N 3.46Å; A215-R218 PolarHBondContact O-N 3.44Å; S216-R218 PolarHBondContact O-N 2.83Å; R218-L222 WeakPolarHBondContact O-CG 3.07Å; R218-L222 PolarHBondContact O-N 3.5Å
219A76.9Confident69.5Low49 Ų49104.4 Ų104.441%0.40557%0.565SS.*Hα-helixtrans-69.5-41.1173.600000112.2A215 S216 E217 L222 Q223A215-A219 WeakPolarHBondContact O-CB 3.27Å; A215-A219 PolarHBondContact O-N 3.09Å; S216-A219 PolarHBondContact O-N 2.88Å; E217-A219 VanDerWaalsContact C-N 3.31Å; E217-A219 PolarHBondContact O-N 3.35Å; A219-L222 PolarHBondContact O-N 2.76Å; A219-Q223 PolarHBondContact O-N 3.47Å
220A75.6Confident68.3Low57 Ų57106.2 Ų106.247%0.47157%0.57SS.*Hα-helixtrans-62-42.6176.100000111.8S216 E217 L222 Q223 A224S216-A220 WeakPolarHBondContact O-CB 3.5Å; S216-A220 PolarHBondContact O-N 3.42Å; E217-A220 PolarHBondContact O-N 3.31Å; A220-L222 VanDerWaalsContact C-N 3.33Å; A220-L222 PolarHBondContact O-N 3.21Å; A220-Q223 PolarHBondContact O-N 3.06Å; A220-A224 WeakPolarHBondContact O-CB 3.47Å; A220-A224 PolarHBondContact O-N 3.04Å
221A73.2Confident67.1Low56 Ų56111.3 Ų111.346%0.46360%0.596SS.*Hα-helixtrans-60.8-38.9174.300000112.8E217 A224 T225E217-A221 PolarHBondContact O-N 2.88Å; A221-A224 PolarHBondContact O-N 3.12Å; A221-T225 WeakPolarHBondContact O-CG2 3.43Å; A221-T225 PolarHBondContact O-N 3.41Å; A221-T225 PolarHBondContact O-OG1 2.88Å; A221-T225 VanDerWaalsContact O-OG1 3.08Å
222L71Confident65.8Low105 Ų105109.3 Ų109.355%0.5560%0.599SS.*Hα-helixtrans-70.4-30.5175-73.5168.8000113.1R218 A219 A220 T225 R226R218-L222 WeakPolarHBondContact O-CG 3.07Å; R218-L222 PolarHBondContact O-N 3.5Å; A219-L222 PolarHBondContact O-N 2.76Å; A220-L222 VanDerWaalsContact C-N 3.33Å; A220-L222 PolarHBondContact O-N 3.21Å; L222-T225 PolarHBondContact O-OG1 3.4Å; L222-R226 WeakPolarHBondContact O-CG 3.45Å; L222-R226 PolarHBondContact O-N 2.69Å
223Q70.8Confident64.2Low122 Ų122107.5 Ų107.557%0.5760%0.603SS**Hα-helixtrans-75.2-37.6171.2-68.8-165.625.100112.4A219 A220 R226 K227A219-Q223 PolarHBondContact O-N 3.47Å; A220-Q223 PolarHBondContact O-N 3.06Å; Q223-R226 PolarHBondContact O-N 3.09Å; Q223-K227 PolarHBondContact O-N 3.29Å
224A64.5Low62.8Low62 Ų62114.3 Ų114.351%0.51262%0.621SS.*Hα-helixtrans-63.4-42.5177.600000111.9A220 A221 K228A220-A224 WeakPolarHBondContact O-CB 3.47Å; A220-A224 PolarHBondContact O-N 3.04Å; A221-A224 PolarHBondContact O-N 3.12Å; A224-K228 PolarHBondContact O-N 2.92Å; A224-K228 VanDerWaalsContact O-N 3.16Å
225T60.2Low61Low91 Ų91115.3 Ų115.356%0.55863%0.63SS**Hα-helixtrans-66.2-39.5175.149.20000112.4A221 L222 K228 A229A221-T225 WeakPolarHBondContact O-CG2 3.43Å; A221-T225 PolarHBondContact O-N 3.41Å; A221-T225 PolarHBondContact O-OG1 2.88Å; A221-T225 VanDerWaalsContact O-OG1 3.08Å; L222-T225 PolarHBondContact O-OG1 3.4Å; T225-K228 PolarHBondContact O-N 3.23Å; T225-A229 PolarHBondContact O-N 3.42Å
226R58.1Low59.3Low186 Ų186118.7 Ų118.770%0.70265%0.648SS**Hα-helixtrans-62.6-48.6173.8-78.5177.4170.4165.7-2112.9L222 Q223 K228 A229 E230L222-R226 WeakPolarHBondContact O-CG 3.45Å; L222-R226 PolarHBondContact O-N 2.69Å; Q223-R226 PolarHBondContact O-N 3.09Å; R226-K228 PolarHBondContact O-N 3.16Å; R226-A229 WeakPolarHBondContact O-CB 3.37Å; R226-A229 PolarHBondContact O-N 3.45Å; R226-E230 PolarHBondContact O-N 3.45Å
227K57.7Low57.2Low143 Ų143121.2 Ų121.262%0.62266%0.66SS**Hα-helixtrans-64.3-23.6178-74.1-173.7175.2-179.50113.6Q223 A229Q223-K227 PolarHBondContact O-N 3.29Å; K227-A229 VanDerWaalsContact C-N 3.33Å
228K54.9Low55.5Low166 Ų166120.4 Ų120.472%0.72266%0.664SS**Hα-helixtrans-78.1-14.7172.6-129.4171.3-175.5177.10113.3A224 T225 R226A224-K228 PolarHBondContact O-N 2.92Å; A224-K228 VanDerWaalsContact O-N 3.16Å; T225-K228 PolarHBondContact O-N 3.23Å; R226-K228 PolarHBondContact O-N 3.16Å
229A51.6Low54Low71 Ų71118.7 Ų118.759%0.58767%0.67SS**Hα-helixtrans-87.8-36.3178.700000113.6T225 R226 K227 L231T225-A229 PolarHBondContact O-N 3.42Å; R226-A229 WeakPolarHBondContact O-CB 3.37Å; R226-A229 PolarHBondContact O-N 3.45Å; K227-A229 VanDerWaalsContact C-N 3.33Å; A229-L231 VanDerWaalsContact C-N 3.31Å; A229-L231 PolarHBondContact O-N 3.12Å
230E50.9Low52Low156 Ų156123.8 Ų123.873%0.72969%0.69SS**THydrogen-bonded Turntrans-73.6-16.4-174.9-68.4-179.411900114.6R226R226-E230 PolarHBondContact O-N 3.45Å
231L48.5Very low50.6Low158 Ų158129.8 Ų129.883%0.82771%0.708SS**THydrogen-bonded Turntrans-93.71.1-177.2-74166.6000114.5A229 S233A229-L231 VanDerWaalsContact C-N 3.31Å; A229-L231 PolarHBondContact O-N 3.12Å; L231-S233 PolarHBondContact O-N 3.1Å
232S40.8Very low48.9Very low109 Ų109133.9 Ų133.976%0.76272%0.722SS**  trans-103.361.2-173.5-155.80000113.1
233S40.5Very low47.7Very low102 Ų102134.5 Ų134.571%0.71374%0.736SS**  trans-137.948-173.556.10000114.5L231L231-S233 PolarHBondContact O-N 3.1Å
234K42.7Very low45.9Very low200 Ų200136.2 Ų136.287%0.8775%0.749SS**  trans-150.4128.7168.7-104.3161.8-174.9173.40111.6
235P39.1Very low44.8Very low120 Ų120138.3 Ų138.378%0.77976%0.76SS**PPolyproline II helixtrans-80.5146.6171.933.4-33.5000111.1
236P40.2Very low43.4Very low124 Ų124143.2 Ų143.281%0.80577%0.774SS**PPolyproline II helixtrans-83.1138.4173.332.8-32.7000111.7
237T34.5Very low42.5Very low131 Ų131141.6 Ų141.680%0.80478%0.778SS**PPolyproline II helixtrans-72.8146164-560000109.7
238V39.6Very low41.2Very low127 Ų127138.9 Ų138.977%0.7778%0.781SS**PPolyproline II helixtrans-85.3138.2173.4-72.90000111.1
239D42.9Very low40.4Very low158 Ų158136.4 Ų136.485%0.84578%0.78SS**  trans-143.5135.1153.3-82.5-53.1000107.2
240N35.6Very low39.5Very low155 Ų155142.5 Ų142.583%0.82979%0.793SS**  trans-93.3152.5170.7-65-54.6000108.8
241E45.7Very low38.9Very low183 Ų183142.7 Ų142.786%0.85580%0.798SS**  trans-149.7150140-95.9-47.314800110.1
242D36.3Very low38.5Very low142 Ų142139.8 Ų139.876%0.75979%0.791SS**  trans-83.1143.3-172.7-81.2-56.3000113.3
243S46.2Very low38.1Very low119 Ų119143.1 Ų143.183%0.83280%0.795SS**  trans-169.998.2150.4-87.60000113.2
244N33.4Very low38.1Very low157 Ų157145.4 Ų145.484%0.8480%0.799SS**  trans-71.2126.9163.3-87.7-61.9000110.4
245S41.9Very low37.9Very low107 Ų107144.1 Ų144.175%0.74880%0.796SS**  trans-134.8120.8161.456.90000111
246F30.9Very low38.1Very low194 Ų194146.4 Ų146.485%0.85180%0.802SS**  trans-77127.6178.5-91.3-121.7000110.4
247I37.7Very low37.7Very low152 Ų152145 Ų14578%0.77980%0.795SS**  trans-125.691.5157.3-57.3-176.2000108.5V249I247-V249 HydrophobicContact CG2-CG2 4.2Å; I247-V249 PolarHBondContact O-N 3.42Å
248A30.8Very low37.9Very low85 Ų85144.4 Ų144.470%0.70279%0.791SS**  trans-8196.4174.800000110.1K250A248-K250 PolarHBondContact O-N 2.71Å
249V37.8Very low37.8Very low115 Ų115144.1 Ų144.170%0.69779%0.79SS**  trans-73.798.5174-178.10000109.4I247 L251I247-V249 HydrophobicContact CG2-CG2 4.2Å; I247-V249 PolarHBondContact O-N 3.42Å; V249-L251 HydrophobicContact CG1-CG 4.45Å; V249-L251 PolarHBondContact O-N 3.03Å
250K32.8Very low37.9Very low199 Ų199143.1 Ų143.187%0.86578%0.784SS**PPolyproline II helixtrans-66122163.8-67177.9178.2178.60108.6A248A248-K250 PolarHBondContact O-N 2.71Å
251L39.1Very low37.9Very low159 Ų159146.2 Ų146.283%0.83278%0.784SS**PPolyproline II helixtrans-103.8128.2158-74.3169.9000107.5V249V249-L251 HydrophobicContact CG1-CG 4.45Å; V249-L251 PolarHBondContact O-N 3.03Å
252S40.1Very low37.9Very low97 Ų97145.2 Ų145.268%0.67878%0.784SS**PPolyproline II helixtrans-71143-178.139.60000111.4
253H31.8Very low38.5Very low180 Ų180142.8 Ų142.883%0.83378%0.775SS**PPolyproline II helixtrans-71.4124.4151.8-79.4-109.3000107.6
254D41.1Very low38.5Very low150 Ų150142.1 Ų142.180%0.80278%0.776SS**  trans-110.8124.9155.6-80.2-59.9000107.3
255E37.6Very low39.6Very low172 Ų172142.2 Ų142.280%0.80477%0.769SS**  trans-86.7137.6-176.5-58.9-165.9159.700111.1
256N44Very low39.9Very low169 Ų169139.6 Ų139.690%0.90475%0.751SS**  trans-141.3104.1155.5-106.6-52.2000109.5
257S31.9Very low40.8Very low95 Ų95140.3 Ų140.366%0.66475%0.748SS**  trans-78.3119.9-176.6-177.80000111.5
258T38.7Very low41.7Very low117 Ų117140 Ų14072%0.71874%0.743SS**  trans-139.278.4157.7-58.30000108.5N260T258-N260 VanDerWaalsContact C-N 3.26Å; T258-N260 PolarHBondContact O-N 3.39Å
259T38Very low42.9Very low121 Ų121142.5 Ų142.574%0.74274%0.74SS**  trans-76.471.4-178.950.70000112.1R261T259-R261 PolarHBondContact O-N 3.2Å
260N43.6Very low43.3Very low137 Ų137141.9 Ų141.973%0.73374%0.74SS**  trans-69.179.9169.5-86.6-8.2000110.5T258 L262T258-N260 VanDerWaalsContact C-N 3.26Å; T258-N260 PolarHBondContact O-N 3.39Å; N260-L262 PolarHBondContact O-N 3.2Å
261R35.6Very low44.3Very low221 Ų221137 Ų13783%0.83472%0.723SS**  trans-7173176.6-170.1-170.1-174.4-164.12.6110.5T259 T263T259-R261 PolarHBondContact O-N 3.2Å; R261-T263 VanDerWaalsContact C-N 3.34Å; R261-T263 PolarHBondContact O-N 2.76Å
262L46.8Very low45.2Very low162 Ų162134.4 Ų134.485%0.84872%0.716SS**  trans-67.394.1168.5-66.3177.6000108.7N260 A264N260-L262 PolarHBondContact O-N 3.2Å; L262-A264 PolarHBondContact O-N 2.66Å
263T49.4Very low46Very low91 Ų91136.6 Ų136.656%0.55871%0.713SS**  trans-64.1118.6168.950.50000108.5R261 K265R261-T263 VanDerWaalsContact C-N 3.34Å; R261-T263 PolarHBondContact O-N 2.76Å; T263-K265 PolarHBondContact O-N 3.28Å
264A46.1Very low46.9Very low105 Ų105133.1 Ų133.187%0.86870%0.704SS**  trans-60.8105.2172.100000109.5L262L262-A264 PolarHBondContact O-N 2.66Å
265K55.4Low47.5Very low158 Ų158130.6 Ų130.669%0.68769%0.694SS**  trans-73.2139.3163.6-60.4-174.7179.1-173.60107.3T263 W267T263-K265 PolarHBondContact O-N 3.28Å; K265-W267 PolarHBondContact O-N 3.35Å
266S48Very low48.6Very low52 Ų52128.2 Ų128.236%0.36469%0.686SS.*  trans-63.5139.4177.1-173.30000110E268 E269S266-E268 WeakPolarHBondContact CB-OE2 3.31Å; S266-E268 PolarHBondContact O-N 2.94Å; S266-E268 VanDerWaalsContact O-N 3.12Å; S266-E268 VanDerWaalsContact OG-CD 3.25Å; S266-E268 WeakPolarHBondContact OG-CG 3.38Å; S266-E268 PolarHBondContact OG-N 3.26Å; S266-E268 PolarHBondContact OG-OE2 2.68Å; S266-E269 PolarHBondContact O-N 3.49Å
267W49.6Very low49.4Very low210 Ų210126.7 Ų126.780%0.79568%0.678SS**Hα-helixtrans-56.5-26.8173.6-168.9-82.2000111.6K265 E269 C270K265-W267 PolarHBondContact O-N 3.35Å; W267-E269 VanDerWaalsContact C-N 3.26Å; W267-E269 PolarHBondContact O-N 3.34Å; W267-C270 PolarHBondContact O-N 3.35Å; W267-C270 VanDerWaalsContact O-N 3.1Å
268E56.8Low51.1Low144 Ų144126 Ų12667%0.67367%0.667SS**Hα-helixtrans-61.6-25.7176.3-58.6159.5140.100113.6S266 K273S266-E268 WeakPolarHBondContact CB-OE2 3.31Å; S266-E268 PolarHBondContact O-N 2.94Å; S266-E268 VanDerWaalsContact O-N 3.12Å; S266-E268 VanDerWaalsContact OG-CD 3.25Å; S266-E268 WeakPolarHBondContact OG-CG 3.38Å; S266-E268 PolarHBondContact OG-N 3.26Å; S266-E268 PolarHBondContact OG-OE2 2.68Å; E268-K273 PolarHBondContact O-NZ 2.99Å
269E55.8Low53Low138 Ų138125 Ų12565%0.64566%0.662SS**Hα-helixtrans-75.3-33173.9-72.8-164.3129.500112.1S266 W267 L271 K273S266-E269 PolarHBondContact O-N 3.49Å; W267-E269 VanDerWaalsContact C-N 3.26Å; W267-E269 PolarHBondContact O-N 3.34Å; E269-L271 VanDerWaalsContact C-N 3.35Å; E269-L271 PolarHBondContact O-N 3.35Å; E269-K273 PolarHBondContact O-NZ 3.48Å
270C48.2Very low54.8Low102 Ų102124 Ų12469%0.68965%0.649SS**Hα-helixtrans-77.9-13.4-175.8-65.70000114.5W267W267-C270 PolarHBondContact O-N 3.35Å; W267-C270 VanDerWaalsContact O-N 3.1Å
271L53Low56.3Low96 Ų96120.7 Ų120.750%0.50363%0.63SS.*SBendtrans-77.9133.7176-61.1-179.9000111.1E269 K273E269-L271 VanDerWaalsContact C-N 3.35Å; E269-L271 PolarHBondContact O-N 3.35Å; L271-K273 VanDerWaalsContact O-CD 3.31Å; L271-K273 WeakPolarHBondContact O-CD 3.45Å; L271-K273 PolarHBondContact O-NZ 2.69Å
272P58.1Low57.9Low106 Ų106114.7 Ų114.769%0.68861%0.614SS**  trans-65.3133.5171.428.3-33.6000109.8V274P272-V274 HydrophobicContact CB-CG2 4.4Å; P272-V274 HydrophobicContact CG-CG2 4.43Å; P272-V274 PolarHBondContact O-N 2.74Å
273K56.8Low59.5Low143 Ų143113.4 Ų113.462%0.62260%0.598SS**  trans-8173.6180-80.462.4-176.9168.30108.7E268 E269 L271 T275E268-K273 PolarHBondContact O-NZ 2.99Å; E269-K273 PolarHBondContact O-NZ 3.48Å; L271-K273 VanDerWaalsContact O-CD 3.31Å; L271-K273 WeakPolarHBondContact O-CD 3.45Å; L271-K273 PolarHBondContact O-NZ 2.69Å; K273-T275 VanDerWaalsContact C-N 3.32Å; K273-T275 PolarHBondContact O-N 3.31Å
274V51.3Low60.8Low107 Ų107114.9 Ų114.965%0.64860%0.599SS**  trans-71.990.5171.4-176.80000108P272 I276P272-V274 HydrophobicContact CB-CG2 4.4Å; P272-V274 HydrophobicContact CG-CG2 4.43Å; P272-V274 PolarHBondContact O-N 2.74Å; V274-I276 PolarHBondContact O-N 2.88Å
275T53.9Low61.5Low97 Ų97115.1 Ų115.160%0.59558%0.583SS**  trans-73.1120.2172.549.70000109.1K273 N277K273-T275 VanDerWaalsContact C-N 3.32Å; K273-T275 PolarHBondContact O-N 3.31Å; T275-N277 PolarHBondContact O-N 3.49Å
276I59.7Low62.1Low121 Ų121110.8 Ų110.862%0.62157%0.573SS**THydrogen-bonded Turntrans-67.86.4-176.6-59.6166.5000112.7V274 D278V274-I276 PolarHBondContact O-N 2.88Å; I276-D278 VanDerWaalsContact C-N 3.26Å; I276-D278 PolarHBondContact O-N 3.47Å
277N61.4Low63.1Low138 Ų138111.4 Ų111.474%0.73858%0.577SS**THydrogen-bonded Turntrans-83.48.2-177.9-60.60.9000113.7T275 P279T275-N277 PolarHBondContact O-N 3.49Å; N277-P279 WeakPolarHBondContact O-CD 3.48Å
278D68Low63.9Low81 Ų81105 Ų10543%0.43356%0.561SS.*  trans-77.9113-179.9-156.4-26.4000109.9I276 E280 I281 L282I276-D278 VanDerWaalsContact C-N 3.26Å; I276-D278 PolarHBondContact O-N 3.47Å; D278-E280 PolarHBondContact O-N 3.33Å; D278-E280 VanDerWaalsContact O-N 3.16Å; D278-I281 HydrophobicContact CB-CD1 3.96Å; D278-I281 HydrophobicContact CB-CG1 4.11Å; D278-I281 PolarHBondContact O-N 2.99Å; D278-I281 VanDerWaalsContact O-N 3.09Å; D278-L282 PolarHBondContact O-N 3.06Å
279P76.8Confident63.9Low94 Ų94105 Ų10561%0.6156%0.561SS**Hα-helixtrans-66.3-20.3-169.426.5-35.7000113.5N277 R283N277-P279 WeakPolarHBondContact O-CD 3.48Å; P279-R283 VanDerWaalsContact O-CB 3.25Å; P279-R283 WeakPolarHBondContact O-CB 3.48Å; P279-R283 PolarHBondContact O-N 3.25Å
280E77.2Confident64.1Low102 Ų102104 Ų10448%0.47756%0.555SS.*Hα-helixtrans-68.5-42.1173-66.5-114.8103.400111.8D278 R283 Q284D278-E280 PolarHBondContact O-N 3.33Å; D278-E280 VanDerWaalsContact O-N 3.16Å; E280-R283 PolarHBondContact O-N 3.09Å; E280-R283 IonicContact OE1-CZ 2.78Å; E280-R283 IonicContact OE1-NH1 2.76Å; E280-R283 PolarHBondContact OE1-NH1 2.85Å; E280-R283 IonicContact OE1-NH2 2.61Å; E280-R283 PolarHBondContact OE1-NH2 3.07Å; E280-Q284 WeakPolarHBondContact O-CG 3.42Å; E280-Q284 PolarHBondContact O-N 3.1Å
281I73.7Confident64.6Low67 Ų67105.3 Ų105.334%0.34455%0.551SS.*Hα-helixtrans-68.2-44179.7-58.2178.5000109.9D278 R283 Q284 M285D278-I281 HydrophobicContact CB-CD1 3.96Å; D278-I281 HydrophobicContact CB-CG1 4.11Å; D278-I281 PolarHBondContact O-N 2.99Å; D278-I281 VanDerWaalsContact O-N 3.09Å; I281-R283 VanDerWaalsContact C-N 3.33Å; I281-R283 PolarHBondContact O-N 3.02Å; I281-Q284 PolarHBondContact O-N 2.87Å; I281-M285 WeakPolarHBondContact O-CG 3.42Å; I281-M285 PolarHBondContact O-N 2.94Å
282L70.9Confident64.6Low95 Ų95104.8 Ų104.850%0.49755%0.547SS..Hα-helixtrans-60.4-42.1173.8-100.3161.3000111.9D278 S286D278-L282 PolarHBondContact O-N 3.06Å; L282-S286 WeakPolarHBondContact O-CB 3.44Å; L282-S286 PolarHBondContact O-N 3.16Å; L282-S286 PolarHBondContact O-OG 2.88Å
283R79Confident64.2Low134 Ų134103.4 Ų103.451%0.50654%0.537SS..Hα-helixtrans-62-48.2174.8-167.217776.6-116.41.4111.2P279 E280 I281 M285 S286 S287P279-R283 VanDerWaalsContact O-CB 3.25Å; P279-R283 WeakPolarHBondContact O-CB 3.48Å; P279-R283 PolarHBondContact O-N 3.25Å; E280-R283 PolarHBondContact O-N 3.09Å; E280-R283 IonicContact OE1-CZ 2.78Å; E280-R283 IonicContact OE1-NH1 2.76Å; E280-R283 PolarHBondContact OE1-NH1 2.85Å; E280-R283 IonicContact OE1-NH2 2.61Å; E280-R283 PolarHBondContact OE1-NH2 3.07Å; I281-R283 VanDerWaalsContact C-N 3.33Å; I281-R283 PolarHBondContact O-N 3.02Å; R283-M285 PolarHBondContact O-N 2.94Å; R283-S286 PolarHBondContact O-N 3.42Å; R283-S286 PolarHBondContact O-OG 3.44Å; R283-S287 PolarHBondContact O-N 2.84Å; R283-S287 PolarHBondContact O-OG 3.43Å
284Q76.2Confident64.1Low123 Ų123101.7 Ų101.758%0.57553%0.531SS*.Hα-helixtrans-59.1-47.3178-77.1179.1-20.500112.6E280 I281 S286 S287 V288E280-Q284 WeakPolarHBondContact O-CG 3.42Å; E280-Q284 PolarHBondContact O-N 3.1Å; I281-Q284 PolarHBondContact O-N 2.87Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-S286 PolarHBondContact O-N 3.32Å; Q284-S287 PolarHBondContact O-N 2.94Å; Q284-V288 WeakPolarHBondContact O-CG2 3.38Å; Q284-V288 PolarHBondContact O-N 3.5Å
285M61.3Low64.1Low109 Ų109102.8 Ų102.854%0.53753%0.53SS..Hα-helixtrans-63.4-36176.8-65.7-159.2-5300112.4I281 R283 V288 Q289I281-M285 WeakPolarHBondContact O-CG 3.42Å; I281-M285 PolarHBondContact O-N 2.94Å; R283-M285 PolarHBondContact O-N 2.94Å; M285-V288 PolarHBondContact O-N 2.88Å; M285-Q289 PolarHBondContact O-N 3.27Å; M285-Q289 VanDerWaalsContact O-N 3.1Å
286S68.9Low64.1Low67 Ų67105.5 Ų105.547%0.46954%0.536SS..Hα-helixtrans-68.1-36.1175.374.80000113.1L282 R283 Q284 K290L282-S286 WeakPolarHBondContact O-CB 3.44Å; L282-S286 PolarHBondContact O-N 3.16Å; L282-S286 PolarHBondContact O-OG 2.88Å; R283-S286 PolarHBondContact O-N 3.42Å; R283-S286 PolarHBondContact O-OG 3.44Å; Q284-S286 VanDerWaalsContact C-N 3.3Å; Q284-S286 PolarHBondContact O-N 3.32Å; S286-K290 WeakPolarHBondContact O-CB 3.43Å; S286-K290 PolarHBondContact O-N 3.16Å; S286-K290 VanDerWaalsContact O-N 3.16Å
287S68.7Low63.7Low65 Ų65107.2 Ų107.246%0.45554%0.538SS..Hα-helixtrans-65.4-46.3173.3-70.20000111.5R283 Q284 Q289 K290 E291R283-S287 PolarHBondContact O-N 2.84Å; R283-S287 PolarHBondContact O-OG 3.43Å; Q284-S287 PolarHBondContact O-N 2.94Å; S287-Q289 PolarHBondContact O-N 2.87Å; S287-K290 PolarHBondContact O-N 3.42Å; S287-K290 VanDerWaalsContact O-N 3.12Å; S287-E291 WeakPolarHBondContact O-CB 3.27Å; S287-E291 PolarHBondContact O-N 2.85Å
288V66.1Low63.4Low77 Ų77107.3 Ų107.347%0.46754%0.535SS..Hα-helixtrans-61.7-42.3179.11710000111.8Q284 M285 K290 E291 I292Q284-V288 WeakPolarHBondContact O-CG2 3.38Å; Q284-V288 PolarHBondContact O-N 3.5Å; M285-V288 PolarHBondContact O-N 2.88Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 2.84Å; V288-E291 PolarHBondContact O-N 2.89Å; V288-I292 HydrophobicContact CG1-CD1 3.79Å; V288-I292 WeakPolarHBondContact O-CD1 3.29Å; V288-I292 VanDerWaalsContact O-CG1 3.27Å; V288-I292 WeakPolarHBondContact O-CG1 3.39Å; V288-I292 PolarHBondContact O-N 3.31Å
289Q58Low62.6Low144 Ų144110.3 Ų110.367%0.67355%0.551SS**Hα-helixtrans-64.2-36.9174.5-76.4-163.9-29.600112.8M285 S287 T293M285-Q289 PolarHBondContact O-N 3.27Å; M285-Q289 VanDerWaalsContact O-N 3.1Å; S287-Q289 PolarHBondContact O-N 2.87Å; Q289-T293 WeakPolarHBondContact O-CB 3.24Å; Q289-T293 PolarHBondContact O-N 2.92Å; Q289-T293 VanDerWaalsContact O-N 3.09Å; Q289-T293 PolarHBondContact O-OG1 2.87Å
290K59Low61.2Low116 Ų116111.5 Ų111.550%0.50455%0.552SS.*Hα-helixtrans-69.6-39.7177.7-167.1172.5-176.9-67.20112.1S286 S287 V288 T293 E294S286-K290 WeakPolarHBondContact O-CB 3.43Å; S286-K290 PolarHBondContact O-N 3.16Å; S286-K290 VanDerWaalsContact O-N 3.16Å; S287-K290 PolarHBondContact O-N 3.42Å; S287-K290 VanDerWaalsContact O-N 3.12Å; V288-K290 VanDerWaalsContact C-N 3.33Å; V288-K290 PolarHBondContact O-N 2.84Å; K290-T293 PolarHBondContact O-N 2.9Å; K290-E294 WeakPolarHBondContact CE-OE1 3.15Å; K290-E294 IonicContact NZ-OE1 3.9Å; K290-E294 PolarHBondContact NZ-OE1 3.03Å; K290-E294 IonicContact NZ-OE2 3.67Å; K290-E294 PolarHBondContact NZ-OE2 2.81Å; K290-E294 WeakPolarHBondContact O-CB 3.44Å; K290-E294 WeakPolarHBondContact O-CG 3.33Å; K290-E294 PolarHBondContact O-N 3.21Å
291E59.3Low60Low129 Ų129114 Ų11460%0.60356%0.561SS**Hα-helixtrans-63.4-47.5176.5-167.6163.8-155.600111.2S287 V288 T293 E294 Q295S287-E291 WeakPolarHBondContact O-CB 3.27Å; S287-E291 PolarHBondContact O-N 2.85Å; V288-E291 PolarHBondContact O-N 2.89Å; E291-T293 PolarHBondContact O-N 3.05Å; E291-E294 PolarHBondContact O-N 2.85Å; E291-Q295 WeakPolarHBondContact O-CB 3.42Å; E291-Q295 PolarHBondContact O-N 3.12Å
292I53.1Low59Low85 Ų85120 Ų12044%0.43659%0.588SS.*Hα-helixtrans-58.7-45.6174.6-65.4164.1000111.5V288 E294 Q295 E296V288-I292 HydrophobicContact CG1-CD1 3.79Å; V288-I292 WeakPolarHBondContact O-CD1 3.29Å; V288-I292 VanDerWaalsContact O-CG1 3.27Å; V288-I292 WeakPolarHBondContact O-CG1 3.39Å; V288-I292 PolarHBondContact O-N 3.31Å; I292-E294 PolarHBondContact O-N 3.48Å; I292-Q295 PolarHBondContact O-N 2.57Å; I292-E296 PolarHBondContact O-N 3.17Å; I292-E296 VanDerWaalsContact O-N 3.12Å
293T49.4Very low58Low77 Ų77122.6 Ų122.647%0.47260%0.602SS.*Hα-helixtrans-72.1-15.7-177.8-46.70000113.5Q289 K290 E291Q289-T293 WeakPolarHBondContact O-CB 3.24Å; Q289-T293 PolarHBondContact O-N 2.92Å; Q289-T293 VanDerWaalsContact O-N 3.09Å; Q289-T293 PolarHBondContact O-OG1 2.87Å; K290-T293 PolarHBondContact O-N 2.9Å; E291-T293 PolarHBondContact O-N 3.05Å
294E54Low56.5Low107 Ų107123.5 Ų123.550%0.562%0.622SS.*Hα-helixtrans-97.1-29.5175.1-73.1176.5167.500111.7K290 E291 I292 K297K290-E294 WeakPolarHBondContact CE-OE1 3.15Å; K290-E294 IonicContact NZ-OE1 3.9Å; K290-E294 PolarHBondContact NZ-OE1 3.03Å; K290-E294 IonicContact NZ-OE2 3.67Å; K290-E294 PolarHBondContact NZ-OE2 2.81Å; K290-E294 WeakPolarHBondContact O-CB 3.44Å; K290-E294 WeakPolarHBondContact O-CG 3.33Å; K290-E294 PolarHBondContact O-N 3.21Å; E291-E294 PolarHBondContact O-N 2.85Å; I292-E294 PolarHBondContact O-N 3.48Å; E294-K297 PolarHBondContact O-N 2.65Å
295Q52.6Low55.4Low131 Ų131125.4 Ų125.461%0.61263%0.631SS**Hα-helixtrans-74.5-34.2175.8-161.5168.7300112.9E291 I292 K297 E298E291-Q295 WeakPolarHBondContact O-CB 3.42Å; E291-Q295 PolarHBondContact O-N 3.12Å; I292-Q295 PolarHBondContact O-N 2.57Å; Q295-K297 PolarHBondContact O-N 2.99Å; Q295-E298 PolarHBondContact O-N 2.91Å
296E51.8Low55.2Low154 Ų154128.9 Ų128.972%0.7265%0.646SS**THydrogen-bonded Turntrans-63.76.8171.9-73.4-177.6173.400114.6I292I292-E296 PolarHBondContact O-N 3.17Å; I292-E296 VanDerWaalsContact O-N 3.12Å
297K52.7Low54.9Low156 Ų156131.5 Ų131.568%0.67865%0.649SS**THydrogen-bonded Turntrans-118.7-4.8-176.7-76.2178.9178.3165.40116.5E294 Q295E294-K297 PolarHBondContact O-N 2.65Å; Q295-K297 PolarHBondContact O-N 2.99Å
298E54.4Low54.6Low141 Ų141133.4 Ų133.466%0.65966%0.658SS**THydrogen-bonded Turntrans-102.3-27.9178.2-84.8-156.8116.100115.6Q295Q295-E298 PolarHBondContact O-N 2.91Å
299D50.7Low54.2Low144 Ų144137.3 Ų137.377%0.7767%0.668SS**SBendtrans-82.3-13.2-176.3-66.7-35.2000114.4K301D299-K301 PolarHBondContact O-N 3.1Å
300D47.9Very low53.8Low119 Ų119139.5 Ų139.564%0.63667%0.671SS**  trans-79.357.3-177.1-155.934.8000111.4K307D300-K307 IonicContact OD1-NZ 3.03Å; D300-K307 PolarHBondContact OD1-NZ 2.77Å; D300-K307 IonicContact OD2-NZ 2.65Å; D300-K307 PolarHBondContact OD2-NZ 3.15Å
301K52.8Low54.1Low155 Ų155137.1 Ų137.167%0.67467%0.666SS**  trans-135.27.5-161.3-115.5-178.3-160.8155.70117.6D299D299-K301 PolarHBondContact O-N 3.1Å
302E51.8Low54.4Low192 Ų192139.8 Ų139.890%0.89768%0.678SS**SBendtrans-145.347.7175.7-136.9162.3-112.500114.7
303D50.5Low55.2Low149 Ų149144.8 Ų144.880%0.79770%0.7SS**  trans-143.3116.3156.5-113.3-35000110.7E305D303-E305 PolarHBondContact O-N 3.06Å
304V47.8Very low56.2Low153 Ų153145 Ų14593%0.92770%0.698SS**  trans-93.352.2-177.5-166.60000110.3
305E52.6Low56.6Low164 Ų164145.3 Ų145.377%0.76670%0.698SS**  trans-82.6131.3157-68.9-152.2146.100109.1D303 K307D303-E305 PolarHBondContact O-N 3.06Å; E305-K307 VanDerWaalsContact C-N 3.34Å; E305-K307 PolarHBondContact O-N 3.28Å
306E57.2Low57.1Low181 Ų181141.6 Ų141.685%0.84668%0.684SS**  trans-69.487.2-174.3-168.6170.3-140.700110V308E306-V308 VanDerWaalsContact C-N 3.29Å; E306-V308 WeakPolarHBondContact O-CG2 3.5Å; E306-V308 PolarHBondContact O-N 3.49Å
307K61.6Low57.7Low123 Ų123137.9 Ų137.954%0.53567%0.673SS.*  trans-58.788.6175.2-86.2169.9175.4157.60109.5D300 E305 F309D300-K307 IonicContact OD1-NZ 3.03Å; D300-K307 PolarHBondContact OD1-NZ 2.77Å; D300-K307 IonicContact OD2-NZ 2.65Å; D300-K307 PolarHBondContact OD2-NZ 3.15Å; E305-K307 VanDerWaalsContact C-N 3.34Å; E305-K307 PolarHBondContact O-N 3.28Å; K307-F309 HydrophobicContact CB-CE2 4.18Å; K307-F309 HydrophobicContact CB-CZ 4.47Å; K307-F309 WeakPolarHBondContact O-CD2 3.46Å; K307-F309 WeakPolarHBondContact O-CE2 3.44Å; K307-F309 PolarHBondContact O-N 2.82Å
308V63.2Low58.2Low105 Ų105133.1 Ų133.164%0.63667%0.668SS**  trans-67.990.6-179.8-176.30000109.7E306E306-V308 VanDerWaalsContact C-N 3.29Å; E306-V308 WeakPolarHBondContact O-CG2 3.5Å; E306-V308 PolarHBondContact O-N 3.49Å
309F58Low58.6Low158 Ų158131.9 Ų131.969%0.69367%0.673SS**  trans-61.9137.7173-68.3-82.8000110.8K307 T311K307-F309 HydrophobicContact CB-CE2 4.18Å; K307-F309 HydrophobicContact CB-CZ 4.47Å; K307-F309 WeakPolarHBondContact O-CD2 3.46Å; K307-F309 WeakPolarHBondContact O-CE2 3.44Å; K307-F309 PolarHBondContact O-N 2.82Å; F309-T311 PolarHBondContact O-N 3.49Å
310W48.9Very low59.1Low191 Ų191130.2 Ų130.272%0.72366%0.66SS**  trans-75.573.3170.1-68.390.7000109.9
311T65.6Low59.8Low65 Ų65129.3 Ų129.340%0.39965%0.648SS.*  trans-63.9155167.759.20000110.3F309 E313 N314 F315F309-T311 PolarHBondContact O-N 3.49Å; T311-E313 PolarHBondContact O-N 3.45Å; T311-N314 CarbonylContact O-C 3.56Å; T311-N314 PolarHBondContact O-N 3.27Å; T311-N314 WeakPolarHBondContact OG1-CB 3.34Å; T311-N314 PolarHBondContact OG1-N 3.28Å; T311-N314 PolarHBondContact OG1-ND2 3.2Å; T311-N314 PolarHBondContact OG1-OD1 3.48Å; T311-F315 PolarHBondContact O-N 3.36Å
312E65.9Low60.1Low186 Ų186131.2 Ų131.287%0.86966%0.656SS**SBendtrans-63.5-30.7177.9-166163.7-150.500111.9F315E312-F315 VanDerWaalsContact O-CB 3.3Å; E312-F315 WeakPolarHBondContact O-CB 3.21Å; E312-F315 PolarHBondContact O-N 2.78Å; E312-F315 VanDerWaalsContact O-N 3.11Å
313E69.5Low60.5Low189 Ų189131.6 Ų131.688%0.88365%0.649SS**THydrogen-bonded Turntrans-66.5-32.6172-169167.3-151.300112.9T311 F315T311-E313 PolarHBondContact O-N 3.45Å; E313-F315 VanDerWaalsContact C-N 3.29Å
314N71.6Confident60.9Low82 Ų82127 Ų12744%0.43963%0.632SS.*THydrogen-bonded Turntrans-81.7-5.6172.6-69.7-2.1000112.7T311 V316T311-N314 CarbonylContact O-C 3.56Å; T311-N314 PolarHBondContact O-N 3.27Å; T311-N314 WeakPolarHBondContact OG1-CB 3.34Å; T311-N314 PolarHBondContact OG1-N 3.28Å; T311-N314 PolarHBondContact OG1-ND2 3.2Å; T311-N314 PolarHBondContact OG1-OD1 3.48Å; N314-V316 PolarHBondContact O-N 2.88Å
315F61.7Low61.4Low113 Ų113130.7 Ų130.750%0.49663%0.629SS.*  trans-83.576.5-172-158.5-85.4000112.2T311 E312 E313 P317T311-F315 PolarHBondContact O-N 3.36Å; E312-F315 VanDerWaalsContact O-CB 3.3Å; E312-F315 WeakPolarHBondContact O-CB 3.21Å; E312-F315 PolarHBondContact O-N 2.78Å; E312-F315 VanDerWaalsContact O-N 3.11Å; E313-F315 VanDerWaalsContact C-N 3.29Å; F315-P317 VanDerWaalsContact O-CD 3.27Å; F315-P317 WeakPolarHBondContact O-CD 3.35Å; F315-P317 VanDerWaalsContact O-N 3.12Å
316V62.6Low61.7Low54 Ų54130.1 Ų130.133%0.32763%0.631SS.*  trans-52119.1172.61790000110.2N314 E320 R321N314-V316 PolarHBondContact O-N 2.88Å; V316-E320 HydrophobicContact CG1-CB 3.63Å; V316-R321 HydrophobicContact CB-CG 4.29Å; V316-R321 HydrophobicContact CG1-CG 4.16Å; V316-R321 WeakPolarHBondContact O-CG 3.24Å; V316-R321 PolarHBondContact O-NE 2.89Å
317P65Low61.8Low75 Ų75126 Ų12649%0.48762%0.618SS.*  trans-58.5149.3-178.2-2836.9000112.8F315 P319 E320F315-P317 VanDerWaalsContact O-CD 3.27Å; F315-P317 WeakPolarHBondContact O-CD 3.35Å; F315-P317 VanDerWaalsContact O-N 3.12Å; P317-P319 VanDerWaalsContact C-N 3.35Å; P317-P319 WeakPolarHBondContact O-CD 3.39Å; P317-E320 PolarHBondContact O-N 3.21Å
318G63.1Low61.5Low56 Ų56126.4 Ų126.458%0.57762%0.623SS**THydrogen-bonded Turntrans-42.3-44.9-16900000117.2E320G318-E320 VanDerWaalsContact C-N 3.33Å; G318-E320 PolarHBondContact O-N 2.78Å
319P63Low61.2Low115 Ų115127.5 Ų127.575%0.74763%0.633SS**THydrogen-bonded Turntrans-62.5-33.5179.2-24.435.4000114.6P317P317-P319 VanDerWaalsContact C-N 3.35Å; P317-P319 WeakPolarHBondContact O-CD 3.39Å
320E61.9Low61.4Low110 Ų110123.5 Ų123.551%0.51464%0.636SS.*THydrogen-bonded Turntrans-92-13.7-168.8-64.3-173.2130.100113.3V316 P317 G318 K322 R323 A324V316-E320 HydrophobicContact CG1-CB 3.63Å; P317-E320 PolarHBondContact O-N 3.21Å; G318-E320 VanDerWaalsContact C-N 3.33Å; G318-E320 PolarHBondContact O-N 2.78Å; E320-K322 PolarHBondContact O-N 3.25Å; E320-R323 PolarHBondContact O-N 2.92Å; E320-A324 PolarHBondContact O-N 2.95Å; E320-A324 VanDerWaalsContact O-N 3.15Å
321R61.3Low61.9Low99 Ų99117.2 Ų117.237%0.37462%0.619SS.*Hα-helixtrans-54.4-23.2174.3-66.8-173.5172-149.5-6.9113.9V316V316-R321 HydrophobicContact CB-CG 4.29Å; V316-R321 HydrophobicContact CG1-CG 4.16Å; V316-R321 WeakPolarHBondContact O-CG 3.24Å; V316-R321 PolarHBondContact O-NE 2.89Å
322K59Low61.5Low195 Ų195124.2 Ų124.285%0.84864%0.644SS**Hα-helixtrans-82.7-17.9174.2-69-162176-168.30114.8E320E320-K322 PolarHBondContact O-N 3.25Å
323R60.5Low60.9Low200 Ų200118.2 Ų118.276%0.75562%0.622SS**Hα-helixtrans-90.9-40.5174.7-75.6-178.6165.6179.1-5.6111.9E320 R325 L326E320-R323 PolarHBondContact O-N 2.92Å; R323-R325 VanDerWaalsContact C-N 3.31Å; R323-R325 PolarHBondContact O-N 3.42Å; R323-L326 PolarHBondContact O-N 2.55Å
324A57.9Low60.4Low53 Ų53116.7 Ų116.744%0.43862%0.62SS.*Hα-helixtrans-56-39.9-17600000113.7E320 L326 V327E320-A324 PolarHBondContact O-N 2.95Å; E320-A324 VanDerWaalsContact O-N 3.15Å; A324-L326 PolarHBondContact O-N 3.24Å; A324-L326 VanDerWaalsContact O-N 3.15Å; A324-V327 PolarHBondContact O-N 3.07Å
325R58.8Low60Low230 Ų230121.1 Ų121.187%0.86864%0.638SS**THydrogen-bonded Turntrans-72.8-2.8-174.4-56.6-171.586.4111.50.7115.6R323R323-R325 VanDerWaalsContact C-N 3.31Å; R323-R325 PolarHBondContact O-N 3.42Å
326L60.1Low60.3Low153 Ų153119.3 Ų119.380%0.80163%0.632SS**THydrogen-bonded Turntrans-104.4-8.3179.7-15671.3000113.3R323 A324 M328R323-L326 PolarHBondContact O-N 2.55Å; A324-L326 PolarHBondContact O-N 3.24Å; A324-L326 VanDerWaalsContact O-N 3.15Å; L326-M328 PolarHBondContact O-N 3.24Å
327V59.3Low60.9Low95 Ų95118.9 Ų118.958%0.57663%0.634SS**  trans-92.796.1-178.7-175.60000109.3A324A324-V327 PolarHBondContact O-N 3.07Å
328M54.3Low61.4Low130 Ų130120.2 Ų120.264%0.6464%0.641SS**  trans-67.7133.2171-71.2-64.5-70.100110L326 G330 T331L326-M328 PolarHBondContact O-N 3.24Å; M328-G330 PolarHBondContact O-N 2.97Å; M328-T331 HydrophobicContact CB-CG2 3.87Å; M328-T331 PolarHBondContact O-N 2.87Å; M328-T331 PolarHBondContact O-OG1 2.94Å; M328-T331 VanDerWaalsContact O-OG1 3.05Å
329P57.3Low62.1Low129 Ų129123 Ų12384%0.83864%0.642SS**THydrogen-bonded Turntrans-62.5111.9175.925.3-32.8000109.7
330G62.5Low62.8Low73 Ų73122.8 Ų122.875%0.75363%0.631SS**THydrogen-bonded Turntrans117.3-21.6-179.300000115.5M328 K332M328-G330 PolarHBondContact O-N 2.97Å; G330-K332 PolarHBondContact O-N 3.21Å
331T58.4Low63.4Low59 Ų59121.8 Ų121.836%0.36263%0.629SS.*  trans-7993.2-178.154.30000112M328 S333M328-T331 HydrophobicContact CB-CG2 3.87Å; M328-T331 PolarHBondContact O-N 2.87Å; M328-T331 PolarHBondContact O-OG1 2.94Å; M328-T331 VanDerWaalsContact O-OG1 3.05Å; T331-S333 PolarHBondContact O-N 2.89Å
332K56.9Low64.1Low213 Ų213120 Ų12093%0.92663%0.627SS**  trans-75.148.4175.8-66.3-175.1179.3177.90113.5G330G330-K332 PolarHBondContact O-N 3.21Å
333S54.5Low64.9Low59 Ų59117.8 Ų117.841%0.41362%0.62SS.*  trans-152.994.8178.541.20000111T331 H335 I336T331-S333 PolarHBondContact O-N 2.89Å; S333-H335 PolarHBondContact O-N 3.41Å; S333-I336 WeakPolarHBondContact OG-CG1 3.36Å
334N58.4Low65.6Low157 Ų157112.2 Ų112.284%0.8461%0.611SS**THydrogen-bonded Turntrans-66.918.4177.1-69.9-27000114.3
335H63.7Low66.4Low175 Ų175112.9 Ų112.981%0.8161%0.61SS**THydrogen-bonded Turntrans-160.733.9-171.1-139.2-72.2000114.8S333 A337S333-H335 PolarHBondContact O-N 3.41Å; H335-A337 PolarHBondContact O-N 3.08Å
336I67.9Low67.2Low76 Ų76109.3 Ų109.339%0.3961%0.608SS.*  trans-55.3125.4167.4-58.6176.1000108S333 E340 L341S333-I336 WeakPolarHBondContact OG-CG1 3.36Å; I336-E340 HydrophobicContact CG2-CB 3.95Å; I336-L341 HydrophobicContact CG2-CB 4.2Å
337A75.8Confident68.1Low44 Ų44105.6 Ų105.636%0.36459%0.592SS.*  trans-69.2144.7178.800000110H335 N339 E340 L341H335-A337 PolarHBondContact O-N 3.08Å; A337-N339 PolarHBondContact O-N 3.27Å; A337-N339 VanDerWaalsContact O-N 3.09Å; A337-E340 HydrophobicContact CB-CB 4.46Å; A337-E340 HydrophobicContact CB-CG 4.11Å; A337-E340 PolarHBondContact N-OE2 3.37Å; A337-E340 WeakPolarHBondContact O-CA 3.27Å; A337-E340 WeakPolarHBondContact O-CB 3.42Å; A337-E340 PolarHBondContact O-N 3.4Å; A337-L341 PolarHBondContact O-N 3.46Å
338V75.8Confident69.1Low104 Ų104109.6 Ų109.663%0.6360%0.604SS**Hα-helixtrans-53.5-37178.3178.90000111.1L341 L342V338-L341 PolarHBondContact O-N 2.94Å; V338-L342 HydrophobicContact CG1-CD1 3.93Å; V338-L342 HydrophobicContact CG1-CG 4.35Å; V338-L342 WeakPolarHBondContact O-CB 3.25Å; V338-L342 VanDerWaalsContact O-CG 3.25Å; V338-L342 WeakPolarHBondContact O-CG 3.47Å; V338-L342 PolarHBondContact O-N 2.81Å
339N77.6Confident70.3Confident113 Ų113108.6 Ų108.660%0.60461%0.605SS**Hα-helixtrans-66.5-36.5176.3-63-2000113.3A337 Q343A337-N339 PolarHBondContact O-N 3.27Å; A337-N339 VanDerWaalsContact O-N 3.09Å; N339-Q343 WeakPolarHBondContact O-CB 3.39Å; N339-Q343 WeakPolarHBondContact O-CG 3.44Å; N339-Q343 PolarHBondContact O-N 2.95Å
340E77.7Confident71.5Confident111 Ų111108.9 Ų108.952%0.51960%0.598SS.*Hα-helixtrans-69.7-40.9175.1-68.2174.6134.600110.9I336 A337 Q343 S344I336-E340 HydrophobicContact CG2-CB 3.95Å; A337-E340 HydrophobicContact CB-CB 4.46Å; A337-E340 HydrophobicContact CB-CG 4.11Å; A337-E340 PolarHBondContact N-OE2 3.37Å; A337-E340 WeakPolarHBondContact O-CA 3.27Å; A337-E340 WeakPolarHBondContact O-CB 3.42Å; A337-E340 PolarHBondContact O-N 3.4Å; E340-Q343 PolarHBondContact O-N 3.45Å; E340-S344 WeakPolarHBondContact O-CB 3.4Å; E340-S344 PolarHBondContact O-N 3.03Å; E340-S344 PolarHBondContact O-OG 2.9Å
341L73.9Confident72.6Confident89 Ų89110.1 Ų110.147%0.46660%0.595SS.*Hα-helixtrans-60-50.8175.9-17762.3000110.4I336 A337 V338 Q343 S344 T345I336-L341 HydrophobicContact CG2-CB 4.2Å; A337-L341 PolarHBondContact O-N 3.46Å; V338-L341 PolarHBondContact O-N 2.94Å; L341-Q343 VanDerWaalsContact C-N 3.31Å; L341-Q343 PolarHBondContact O-N 3.31Å; L341-S344 PolarHBondContact O-N 3.27Å; L341-S344 PolarHBondContact O-OG 2.84Å; L341-T345 HydrophobicContact CD1-CG2 4.33Å; L341-T345 WeakPolarHBondContact O-CG2 3.47Å; L341-T345 PolarHBondContact O-N 2.87Å; L341-T345 VanDerWaalsContact O-N 3.08Å; L341-T345 PolarHBondContact O-OG1 3.03Å
342L75.1Confident73.9Confident63 Ų63112.7 Ų112.733%0.3361%0.606SS.*Hα-helixtrans-62.5-33.7178-68.3172.8000113.4V338 T345 V349V338-L342 HydrophobicContact CG1-CD1 3.93Å; V338-L342 HydrophobicContact CG1-CG 4.35Å; V338-L342 WeakPolarHBondContact O-CB 3.25Å; V338-L342 VanDerWaalsContact O-CG 3.25Å; V338-L342 WeakPolarHBondContact O-CG 3.47Å; V338-L342 PolarHBondContact O-N 2.81Å; L342-T345 PolarHBondContact O-OG1 3.26Å; L342-V349 HydrophobicContact CD1-CG2 3.98Å; L342-V349 HydrophobicContact CD2-CG2 4.06Å; L342-V349 HydrophobicContact CG-CG2 4.44Å
343Q75.7Confident75.3Confident148 Ų148107 Ų10769%0.69259%0.585SS**Hα-helixtrans-70.7-35.3172.3-75168.616.700112.1N339 E340 L341N339-Q343 WeakPolarHBondContact O-CB 3.39Å; N339-Q343 WeakPolarHBondContact O-CG 3.44Å; N339-Q343 PolarHBondContact O-N 2.95Å; E340-Q343 PolarHBondContact O-N 3.45Å; L341-Q343 VanDerWaalsContact C-N 3.31Å; L341-Q343 PolarHBondContact O-N 3.31Å
344S77Confident76.8Confident82 Ų82112 Ų11257%0.57360%0.602SS**Hα-helixtrans-72.6-29179.774.50000113.7E340 L341E340-S344 WeakPolarHBondContact O-CB 3.4Å; E340-S344 PolarHBondContact O-N 3.03Å; E340-S344 PolarHBondContact O-OG 2.9Å; L341-S344 PolarHBondContact O-N 3.27Å; L341-S344 PolarHBondContact O-OG 2.84Å
345T74.1Confident78Confident67 Ų67107.7 Ų107.741%0.41158%0.584SS.*Hα-helixtrans-88.9-12.6-174.151.20000114.6L341 L342 T347L341-T345 HydrophobicContact CD1-CG2 4.33Å; L341-T345 WeakPolarHBondContact O-CG2 3.47Å; L341-T345 PolarHBondContact O-N 2.87Å; L341-T345 VanDerWaalsContact O-N 3.08Å; L341-T345 PolarHBondContact O-OG1 3.03Å; L342-T345 PolarHBondContact O-OG1 3.26Å; T345-T347 PolarHBondContact O-N 3.36Å; T345-T347 VanDerWaalsContact O-N 3.07Å; T345-T347 PolarHBondContact OG1-OG1 2.88Å
346N74.8Confident79Confident155 Ų155103.3 Ų103.383%0.82957%0.567SS**THydrogen-bonded Turntrans50.725.5-172.2-80-62.9000114.2
347T78.9Confident79.4Confident76 Ų76106 Ų10647%0.46658%0.581SS.*  trans-85.5127.5179.545.80000110.7T345 V349T345-T347 PolarHBondContact O-N 3.36Å; T345-T347 VanDerWaalsContact O-N 3.07Å; T345-T347 PolarHBondContact OG1-OG1 2.88Å; T347-V349 PolarHBondContact O-N 3.46Å
348E81.3Confident79.7Confident179 Ų179107.4 Ų107.484%0.83659%0.586SS**  trans-59.3128.8169.3-70.9-168.7122.300110.7I350E348-I350 PolarHBondContact O-N 3.3Å
349V79.2Confident79.6Confident109 Ų109106.2 Ų106.266%0.66159%0.586SS**  trans-82.283.8179.7-175.10000109L342 T347 S351L342-V349 HydrophobicContact CD1-CG2 3.98Å; L342-V349 HydrophobicContact CD2-CG2 4.06Å; L342-V349 HydrophobicContact CG-CG2 4.44Å; T347-V349 PolarHBondContact O-N 3.46Å; V349-S351 PolarHBondContact O-N 3.1Å
350I82.8Confident79.7Confident134 Ų134102.4 Ų102.469%0.68757%0.574SS**  trans-67.9116.2174.8-56.8175.5000108.9E348 I352E348-I350 PolarHBondContact O-N 3.3Å; I350-I352 HydrophobicContact CG2-CG1 4.16Å; I350-I352 PolarHBondContact O-N 3.04Å
351S85.3Confident80.1Confident99 Ų9999.4 Ų99.469%0.69257%0.568SS**  trans-76.410017359.20000110.4V349V349-S351 PolarHBondContact O-N 3.1Å
352I84.6Confident80.5Confident114 Ų114102 Ų10259%0.58558%0.578SS**  trans-87.7120.9176.6-57.2172.4000109.1I350 L357I350-I352 HydrophobicContact CG2-CG1 4.16Å; I350-I352 PolarHBondContact O-N 3.04Å; I352-L357 HydrophobicContact CG2-CD1 4.32Å; I352-L357 HydrophobicContact CG2-CD2 3.93Å; I352-L357 HydrophobicContact CG2-CG 3.86Å
353N86.4Confident80.9Confident93 Ų93104.9 Ų104.950%0.49759%0.593SS.*  trans-87156.4171.4-52.8-83.8000110.4S355 D356N353-S355 VanDerWaalsContact CB-OG 3.27Å; N353-S355 WeakPolarHBondContact CB-OG 3.4Å; N353-S355 PolarHBondContact O-N 3.37Å; N353-D356 WeakPolarHBondContact CA-OD2 3.27Å; N353-D356 VanDerWaalsContact CB-OD2 3.27Å; N353-D356 WeakPolarHBondContact CB-OD2 3.38Å; N353-D356 PolarHBondContact N-OD2 3.12Å; N353-D356 PolarHBondContact ND2-OD2 2.98Å; N353-D356 WeakPolarHBondContact O-CB 3.29Å; N353-D356 PolarHBondContact O-N 3.47Å
354Q86Confident81.3Confident164 Ų164104.2 Ų104.277%0.76659%0.59SS**THydrogen-bonded Turntrans-60.9-31.1175.4-173.9177.9-0.600112.4D356 T358Q354-D356 PolarHBondContact O-N 2.95Å; Q354-T358 PolarHBondContact O-OG1 3.26Å
355S83.4Confident81.7Confident66 Ų66105.5 Ų105.546%0.46259%0.59SS.*THydrogen-bonded Turntrans-53.3-42.8172.242.40000112N353 L357 T358 A359N353-S355 VanDerWaalsContact CB-OG 3.27Å; N353-S355 WeakPolarHBondContact CB-OG 3.4Å; N353-S355 PolarHBondContact O-N 3.37Å; S355-L357 PolarHBondContact O-N 2.91Å; S355-T358 CarbonylContact O-C 3.58Å; S355-T358 WeakPolarHBondContact O-CA 3.25Å; S355-T358 PolarHBondContact O-N 3.33Å; S355-T358 PolarHBondContact O-OG1 3.36Å; S355-A359 PolarHBondContact O-N 3.22Å
356D84.6Confident82.2Confident84 Ų84106.3 Ų106.345%0.44959%0.591SS.*THydrogen-bonded Turntrans-74.4-34.7-165-44.8-18.9000109.9N353 Q354 T358N353-D356 WeakPolarHBondContact CA-OD2 3.27Å; N353-D356 VanDerWaalsContact CB-OD2 3.27Å; N353-D356 WeakPolarHBondContact CB-OD2 3.38Å; N353-D356 PolarHBondContact N-OD2 3.12Å; N353-D356 PolarHBondContact ND2-OD2 2.98Å; N353-D356 WeakPolarHBondContact O-CB 3.29Å; N353-D356 PolarHBondContact O-N 3.47Å; Q354-D356 PolarHBondContact O-N 2.95Å; D356-T358 PolarHBondContact O-N 2.76Å
357L77.6Confident82.7Confident132 Ų132104.6 Ų104.669%0.69158%0.576SS**THydrogen-bonded Turntrans-66.9-17.3169.3-61175.5000113.7I352 S355I352-L357 HydrophobicContact CG2-CD1 4.32Å; I352-L357 HydrophobicContact CG2-CD2 3.93Å; I352-L357 HydrophobicContact CG2-CG 3.86Å; S355-L357 PolarHBondContact O-N 2.91Å
358T81.1Confident82.7Confident74 Ų74104.4 Ų104.445%0.45458%0.578SS.*THydrogen-bonded Turntrans-113.8-7-176.659.90000114.3Q354 S355 D356 G360 A361Q354-T358 PolarHBondContact O-OG1 3.26Å; S355-T358 CarbonylContact O-C 3.58Å; S355-T358 WeakPolarHBondContact O-CA 3.25Å; S355-T358 PolarHBondContact O-N 3.33Å; S355-T358 PolarHBondContact O-OG1 3.36Å; D356-T358 PolarHBondContact O-N 2.76Å; T358-G360 VanDerWaalsContact C-N 3.26Å; T358-G360 PolarHBondContact O-N 3.04Å; T358-A361 WeakPolarHBondContact O-CB 3.5Å; T358-A361 PolarHBondContact O-N 2.86Å
359A74.3Confident82.7Confident78 Ų78101.3 Ų101.365%0.64557%0.571SS**THydrogen-bonded Turntrans-61.2-34.1-176.700000112.6S355S355-A359 PolarHBondContact O-N 3.22Å
360G80.7Confident82.6Confident34 Ų34101.1 Ų101.135%0.35157%0.57SS.*THydrogen-bonded Turntrans-77.1-33.7170.400000113.8T358 Q362 L363 E364T358-G360 VanDerWaalsContact C-N 3.26Å; T358-G360 PolarHBondContact O-N 3.04Å; G360-Q362 PolarHBondContact O-N 2.91Å; G360-L363 CarbonylContact O-C 3.6Å; G360-L363 WeakPolarHBondContact O-CA 3.48Å; G360-L363 WeakPolarHBondContact O-CB 3.21Å; G360-L363 PolarHBondContact O-N 3.37Å; G360-E364 WeakPolarHBondContact O-CG 3.42Å; G360-E364 PolarHBondContact O-N 2.94Å
361A84.6Confident82Confident47 Ų4795.7 Ų95.739%0.38854%0.544SS..Hα-helixtrans-62.4-35.6-168.200000114T358 L365T358-A361 WeakPolarHBondContact O-CB 3.5Å; T358-A361 PolarHBondContact O-N 2.86Å; A361-L365 VanDerWaalsContact O-CB 3.31Å; A361-L365 WeakPolarHBondContact O-CB 3.43Å; A361-L365 PolarHBondContact O-N 3.2Å
362Q83.1Confident81Confident145 Ų14593.7 Ų93.768%0.67853%0.525SS*.Hα-helixtrans-68.9-37.7173-177.3177.2-10.700111.7G360 I366G360-Q362 PolarHBondContact O-N 2.91Å; Q362-I366 HydrophobicContact CG-CD1 3.97Å; Q362-I366 WeakPolarHBondContact O-CB 3.22Å; Q362-I366 VanDerWaalsContact O-CG1 3.24Å; Q362-I366 WeakPolarHBondContact O-CG1 3.42Å; Q362-I366 PolarHBondContact O-N 2.68Å
363L83.3Confident80.1Confident123 Ų12394.4 Ų94.464%0.64453%0.53SS*.Hα-helixtrans-69.7-39.4177.7-177.963.4000111.3G360 I366 K367G360-L363 CarbonylContact O-C 3.6Å; G360-L363 WeakPolarHBondContact O-CA 3.48Å; G360-L363 WeakPolarHBondContact O-CB 3.21Å; G360-L363 PolarHBondContact O-N 3.37Å; L363-I366 PolarHBondContact O-N 3.25Å; L363-K367 VanDerWaalsContact O-CB 3.29Å; L363-K367 WeakPolarHBondContact O-CB 3.45Å; L363-K367 PolarHBondContact O-N 2.9Å
364E83.1Confident79Confident134 Ų13491.3 Ų91.363%0.62652%0.516SS*.Hα-helixtrans-65.2-42.4173.9-72.3174.3175.500111.9G360 K367 S368G360-E364 WeakPolarHBondContact O-CG 3.42Å; G360-E364 PolarHBondContact O-N 2.94Å; E364-K367 CarbonylContact O-C 3.41Å; E364-K367 WeakPolarHBondContact O-CB 3.46Å; E364-K367 PolarHBondContact O-N 2.84Å; E364-S368 PolarHBondContact O-N 3.48Å; E364-S368 PolarHBondContact O-OG 3.34Å
365L85.8Confident77.6Confident109 Ų10989.1 Ų89.157%0.57151%0.506SS*.Hα-helixtrans-63.5-45173.7-178.864.5000111.5A361 K367 S368 V369A361-L365 VanDerWaalsContact O-CB 3.31Å; A361-L365 WeakPolarHBondContact O-CB 3.43Å; A361-L365 PolarHBondContact O-N 3.2Å; L365-K367 VanDerWaalsContact C-N 3.3Å; L365-K367 PolarHBondContact O-N 3.17Å; L365-S368 PolarHBondContact O-N 2.82Å; L365-S368 PolarHBondContact O-OG 3.34Å; L365-V369 HydrophobicContact CD1-CG2 4.23Å; L365-V369 WeakPolarHBondContact O-CB 3.16Å; L365-V369 VanDerWaalsContact O-CG2 3.27Å; L365-V369 WeakPolarHBondContact O-CG2 3.49Å; L365-V369 PolarHBondContact O-N 3.48Å
366I85.3Confident76.1Confident83 Ų8392.2 Ų92.243%0.42651%0.508SS..Hα-helixtrans-61.3-42174.8-71.3166.5000110.1Q362 L363 V369 T370Q362-I366 HydrophobicContact CG-CD1 3.97Å; Q362-I366 WeakPolarHBondContact O-CB 3.22Å; Q362-I366 VanDerWaalsContact O-CG1 3.24Å; Q362-I366 WeakPolarHBondContact O-CG1 3.42Å; Q362-I366 PolarHBondContact O-N 2.68Å; L363-I366 PolarHBondContact O-N 3.25Å; I366-V369 PolarHBondContact O-N 2.98Å; I366-T370 HydrophobicContact CG2-CG2 4.36Å; I366-T370 WeakPolarHBondContact O-CB 3.14Å; I366-T370 WeakPolarHBondContact O-CG2 3.19Å; I366-T370 PolarHBondContact O-N 2.9Å; I366-T370 PolarHBondContact O-OG1 2.94Å
367K84.6Confident74.6Confident119 Ų11995.1 Ų95.152%0.51751%0.513SS..Hα-helixtrans-60.6-47.7175-172.9-169.6177.7-160.90110.9L363 E364 L365 V369 T370 S371 Y376L363-K367 VanDerWaalsContact O-CB 3.29Å; L363-K367 WeakPolarHBondContact O-CB 3.45Å; L363-K367 PolarHBondContact O-N 2.9Å; E364-K367 CarbonylContact O-C 3.41Å; E364-K367 WeakPolarHBondContact O-CB 3.46Å; E364-K367 PolarHBondContact O-N 2.84Å; L365-K367 VanDerWaalsContact C-N 3.3Å; L365-K367 PolarHBondContact O-N 3.17Å; K367-V369 VanDerWaalsContact C-N 3.29Å; K367-V369 PolarHBondContact O-N 3.27Å; K367-T370 PolarHBondContact O-N 3.33Å; K367-S371 WeakPolarHBondContact O-CB 3.46Å; K367-S371 PolarHBondContact O-N 2.91Å; K367-S371 PolarHBondContact O-OG 2.66Å; K367-Y376 WeakPolarHBondContact CE-OH 3.35Å
368S79.3Confident73.1Confident72 Ų7292.5 Ų92.550%0.50351%0.506SS..Hα-helixtrans-67-27179.265.80000113.7E364 L365E364-S368 PolarHBondContact O-N 3.48Å; E364-S368 PolarHBondContact O-OG 3.34Å; L365-S368 PolarHBondContact O-N 2.82Å; L365-S368 PolarHBondContact O-OG 3.34Å
369V82.2Confident71.7Confident114 Ų11498.1 Ų98.169%0.69152%0.524SS*.Hα-helixtrans-87.7-16.9177.8173.40000112.7L365 I366 K367L365-V369 HydrophobicContact CD1-CG2 4.23Å; L365-V369 WeakPolarHBondContact O-CB 3.16Å; L365-V369 VanDerWaalsContact O-CG2 3.27Å; L365-V369 WeakPolarHBondContact O-CG2 3.49Å; L365-V369 PolarHBondContact O-N 3.48Å; I366-V369 PolarHBondContact O-N 2.98Å; K367-V369 VanDerWaalsContact C-N 3.29Å; K367-V369 PolarHBondContact O-N 3.27Å
370T76.9Confident70.4Confident105 Ų10596 Ų9664%0.64451%0.505SS*.Hα-helixtrans-116.9-13.8-178.2610000114.9I366 K367 D372I366-T370 HydrophobicContact CG2-CG2 4.36Å; I366-T370 WeakPolarHBondContact O-CB 3.14Å; I366-T370 WeakPolarHBondContact O-CG2 3.19Å; I366-T370 PolarHBondContact O-N 2.9Å; I366-T370 PolarHBondContact O-OG1 2.94Å; K367-T370 PolarHBondContact O-N 3.33Å; T370-D372 PolarHBondContact O-N 3.2Å
371S70.6Confident69.2Low20 Ų20100 Ų10014%0.1452%0.522CS..SBendtrans-65.9122.5159.7-820000108.9K367 Y376K367-S371 WeakPolarHBondContact O-CB 3.46Å; K367-S371 PolarHBondContact O-N 2.91Å; K367-S371 PolarHBondContact O-OG 2.66Å; S371-Y376 PolarHBondContact OG-OH 3.39Å
372D64.1Low67.9Low57 Ų57104.7 Ų104.731%0.30554%0.541SS..  trans-66129.9162.7156.321.9000108.9T370 S374 Q375 K411T370-D372 PolarHBondContact O-N 3.2Å; D372-S374 PolarHBondContact O-N 2.79Å; D372-S374 WeakPolarHBondContact OD1-CB 3.49Å; D372-S374 PolarHBondContact OD1-N 3.11Å; D372-S374 PolarHBondContact OD1-OG 2.97Å; D372-S374 PolarHBondContact OD2-OG 3.05Å; D372-Q375 VanDerWaalsContact O-CB 3.27Å; D372-Q375 WeakPolarHBondContact O-CB 3.45Å; D372-Q375 WeakPolarHBondContact O-CG 3.31Å; D372-Q375 PolarHBondContact O-N 3.37Å; D372-K411 WeakPolarHBondContact OD2-CE 3.34Å; D372-K411 IonicContact OD2-NZ 3.17Å
373D65.1Low67Low129 Ų129101.1 Ų101.169%0.6953%0.526SS*.G310 helixtrans-57.5-21.5180-76.9-36.5000112.7Q375 Y376 R377D373-Q375 PolarHBondContact O-N 2.73Å; D373-Q375 VanDerWaalsContact O-N 3.1Å; D373-Y376 CarbonylContact O-C 3.5Å; D373-Y376 PolarHBondContact O-N 2.79Å; D373-R377 PolarHBondContact O-N 3.17Å
374S62.4Low66.4Low28 Ų2899.1 Ų99.120%0.19652%0.516CS..G310 helixtrans-63.1-11.617191.10000113.9D372 K411D372-S374 PolarHBondContact O-N 2.79Å; D372-S374 WeakPolarHBondContact OD1-CB 3.49Å; D372-S374 PolarHBondContact OD1-N 3.11Å; D372-S374 PolarHBondContact OD1-OG 2.97Å; D372-S374 PolarHBondContact OD2-OG 3.05Å; S374-K411 WeakPolarHBondContact OG-CE 3.4Å; S374-K411 PolarHBondContact OG-NZ 2.94Å
375Q57.4Low65.8Low119 Ų11993.7 Ų93.756%0.55649%0.493SS*.G310 helixtrans-88.1-19.5171.3-56.7-178.46.900113.1D372 D373D372-Q375 VanDerWaalsContact O-CB 3.27Å; D372-Q375 WeakPolarHBondContact O-CB 3.45Å; D372-Q375 WeakPolarHBondContact O-CG 3.31Å; D372-Q375 PolarHBondContact O-N 3.37Å; D373-Q375 PolarHBondContact O-N 2.73Å; D373-Q375 VanDerWaalsContact O-N 3.1Å
376Y52.8Low65.3Low130 Ų13090.7 Ų90.751%0.5149%0.488SS..THydrogen-bonded Turntrans-105.9-6.3177.8-64.8-58.5000113.9K367 S371 D373 S378K367-Y376 WeakPolarHBondContact CE-OH 3.35Å; S371-Y376 PolarHBondContact OG-OH 3.39Å; D373-Y376 CarbonylContact O-C 3.5Å; D373-Y376 PolarHBondContact O-N 2.79Å; Y376-S378 PolarHBondContact O-N 3.48Å
377R52.8Low64.8Low145 Ų14596.1 Ų96.155%0.54751%0.508SS..SBendtrans-57.1112.9144.5-91.6-142.7179.1-140.50.3107.4D373 K379 D383D373-R377 PolarHBondContact O-N 3.17Å; R377-K379 PolarHBondContact O-N 2.89Å; R377-D383 IonicContact CZ-OD2 3.26Å; R377-D383 IonicContact NH1-OD1 2.68Å; R377-D383 PolarHBondContact NH1-OD1 3.36Å; R377-D383 IonicContact NH1-OD2 3.47Å; R377-D383 PolarHBondContact NH1-OD2 3.37Å
378S44.8Very low64.5Low77 Ų7795.9 Ų95.954%0.53851%0.512SS..  trans-49.9140.5165.141.60000109.2Y376 S380Y376-S378 PolarHBondContact O-N 3.48Å; S378-S380 PolarHBondContact O-N 3.02Å; S378-S380 PolarHBondContact O-OG 2.86Å; S378-S380 WeakPolarHBondContact OG-CB 3.26Å; S378-S380 PolarHBondContact OG-OG 3.35Å
379K53.1Low64.5Low192 Ų19293.1 Ų93.184%0.83549%0.494SS*.  trans-73.357.4152.6-67.7-161.7174-154.80108.9R377 T381R377-K379 PolarHBondContact O-N 2.89Å; K379-T381 PolarHBondContact O-N 2.84Å
380S47.5Very low64.3Low35 Ų3592.5 Ų92.525%0.24548%0.483CS..  trans-62.8124167.228.40000106.5S378 D382 D383S378-S380 PolarHBondContact O-N 3.02Å; S378-S380 PolarHBondContact O-OG 2.86Å; S378-S380 WeakPolarHBondContact OG-CB 3.26Å; S378-S380 PolarHBondContact OG-OG 3.35Å; S380-D382 PolarHBondContact O-N 2.81Å; S380-D383 PolarHBondContact O-N 2.85Å; S380-D383 VanDerWaalsContact O-N 3.08Å
381T55.1Low64.6Low116 Ų11697.2 Ų97.271%0.71249%0.489SS*.THydrogen-bonded Turntrans-61-4.8-177.542.90000114K379K379-T381 PolarHBondContact O-N 2.84Å
382D56.9Low65.5Low147 Ų147103.7 Ų103.779%0.78652%0.515SS*.THydrogen-bonded Turntrans-81.3-30.4176-47.9-46.4000113.4S380S380-D382 PolarHBondContact O-N 2.81Å
383D64Low66.7Low69 Ų69106 Ų10637%0.36952%0.523SS..THydrogen-bonded Turntrans-76.3-30.5175-95.1-27.3000111R377 S380 P385 H400R377-D383 IonicContact CZ-OD2 3.26Å; R377-D383 IonicContact NH1-OD1 2.68Å; R377-D383 PolarHBondContact NH1-OD1 3.36Å; R377-D383 IonicContact NH1-OD2 3.47Å; R377-D383 PolarHBondContact NH1-OD2 3.37Å; S380-D383 PolarHBondContact O-N 2.85Å; S380-D383 VanDerWaalsContact O-N 3.08Å; D383-P385 WeakPolarHBondContact O-CD 3.32Å; D383-H400 PolarHBondContact O-CD2 3.49Å; D383-H400 VanDerWaalsContact O-CD2 3.27Å
384D70.9Confident67.8Low82 Ų82106.4 Ų106.444%0.43952%0.521SS..SBendtrans-66.7112.9174.3-98.3-52.4000109.7G386 H400D384-G386 VanDerWaalsContact C-N 3.26Å; D384-G386 PolarHBondContact O-N 3.15Å; D384-H400 IonicContact OD1-CE1 2.68Å; D384-H400 PolarHBondContact OD1-CE1 3.32Å; D384-H400 VanDerWaalsContact OD1-CE1 3.26Å; D384-H400 IonicContact OD1-NE2 3.48Å
385P69.4Low69.1Low20 Ų20111.9 Ų111.913%0.1355%0.547CS..  trans-73.286.7175.531.4-34.4000108.9D383 A389 T396 W397 H400D383-P385 WeakPolarHBondContact O-CD 3.32Å; P385-A389 HydrophobicContact CB-CB 3.66Å; P385-T396 HydrophobicContact CB-CG2 4.06Å; P385-W397 HydrophobicContact CG-CB 4.5Å; P385-H400 VanDerWaalsContact CD-CD2 3.46Å; P385-H400 WeakPolarHBondContact CD-CD2 3.43Å; P385-H400 HydrophobicContact CG-CB 3.44Å; P385-H400 VanDerWaalsContact CG-CB 3.44Å
386G75.2Confident70.8Confident45 Ų45110 Ų11046%0.46454%0.543SS..  trans-56.3177.6-169.700000115D384 L388 A389 H390D384-G386 VanDerWaalsContact C-N 3.26Å; D384-G386 PolarHBondContact O-N 3.15Å; G386-L388 CarbonylContact O-C 3.12Å; G386-L388 PolarHBondContact O-N 2.75Å; G386-A389 WeakPolarHBondContact O-CA 3.31Å; G386-A389 WeakPolarHBondContact O-CB 3.39Å; G386-A389 PolarHBondContact O-N 3.08Å; G386-H390 PolarHBondContact O-N 3.26Å
387K76.5Confident72.6Confident197 Ų197107.2 Ų107.286%0.85753%0.532SS*.THydrogen-bonded Turntrans-51.5-22.9-168.2-61.1174.1-175.1169.90115.3
388L76.9Confident74.5Confident114 Ų114104 Ų10460%0.59753%0.526SS*.THydrogen-bonded Turntrans-72.7-42.6170.4-75.2169.6000113.7G386 R391 K392G386-L388 CarbonylContact O-C 3.12Å; G386-L388 PolarHBondContact O-N 2.75Å; L388-R391 CarbonylContact O-C 3.59Å; L388-R391 PolarHBondContact O-N 2.8Å; L388-R391 VanDerWaalsContact O-N 3.08Å; L388-K392 WeakPolarHBondContact O-CB 3.4Å; L388-K392 PolarHBondContact O-N 2.84Å
389A80.2Confident76.7Confident14 Ų14103 Ų10312%0.11652%0.522CS..Hα-helixtrans-68.5-37.3179.700000112.2P385 G386 R391 K392 H393P385-A389 HydrophobicContact CB-CB 3.66Å; G386-A389 WeakPolarHBondContact O-CA 3.31Å; G386-A389 WeakPolarHBondContact O-CB 3.39Å; G386-A389 PolarHBondContact O-N 3.08Å; A389-R391 PolarHBondContact O-N 3.24Å; A389-R391 VanDerWaalsContact O-N 3.1Å; A389-K392 PolarHBondContact O-N 3.1Å; A389-H393 HydrophobicContact CB-CB 4.08Å; A389-H393 CarbonylContact O-C 3.59Å; A389-H393 VanDerWaalsContact O-CA 3.31Å; A389-H393 WeakPolarHBondContact O-CA 3.38Å; A389-H393 PolarHBondContact O-N 3.42Å
390H78.3Confident78.4Confident101 Ų10195.8 Ų95.847%0.46849%0.491SS..Hα-helixtrans-54.1-29.5168.4-171.188.9000113G386 W397G386-H390 PolarHBondContact O-N 3.26Å; H390-W397 HydrophobicContact CB-CG 4.27Å; H390-W397 AromaticContact CE1-CD2 3.92Å; H390-W397 AromaticContact CE1-CE2 3.56Å; H390-W397 AromaticContact CE1-CH2 3.91Å; H390-W397 AromaticContact CE1-CZ2 3.57Å; H390-W397 AromaticContact ND1-CD1 3.49Å; H390-W397 AromaticContact ND1-CD2 3.34Å; H390-W397 VanDerWaalsContact ND1-CD2 3.34Å; H390-W397 AromaticContact ND1-CE2 3.09Å; H390-W397 AromaticContact ND1-CG 3.62Å; H390-W397 AromaticContact ND1-CZ2 3.62Å; H390-W397 AromaticContact ND1-NE1 3.17Å; H390-W397 PolarHBondContact ND1-NE1 3.34Å; H390-W397 VanDerWaalsContact ND1-NE1 3.17Å
391R83.6Confident80.4Confident204 Ų20498.3 Ų98.377%0.7750%0.499SS*.Hα-helixtrans-96.4-32.5-178.9-66.917562.3-157.6-0.2114.9L388 A389L388-R391 CarbonylContact O-C 3.59Å; L388-R391 PolarHBondContact O-N 2.8Å; L388-R391 VanDerWaalsContact O-N 3.08Å; A389-R391 PolarHBondContact O-N 3.24Å; A389-R391 VanDerWaalsContact O-N 3.1Å
392K88.9Confident82.1Confident157 Ų15795.4 Ų95.468%0.68349%0.486SS*.Hα-helixtrans-112.3-29.6-173.5-70.1-174.1176.8-1780114.3L388 A389L388-K392 WeakPolarHBondContact O-CB 3.4Å; L388-K392 PolarHBondContact O-N 2.84Å; A389-K392 PolarHBondContact O-N 3.1Å
393H89.2Confident83.7Confident105 Ų10592.6 Ų92.649%0.48647%0.468SS..  trans-125.260-169.3-57.2-73.7000110.1A389 I395 T396 W397A389-H393 HydrophobicContact CB-CB 4.08Å; A389-H393 CarbonylContact O-C 3.59Å; A389-H393 VanDerWaalsContact O-CA 3.31Å; A389-H393 WeakPolarHBondContact O-CA 3.38Å; A389-H393 PolarHBondContact O-N 3.42Å; H393-I395 PolarHBondContact O-N 3.41Å; H393-I395 VanDerWaalsContact O-N 3.11Å; H393-T396 WeakPolarHBondContact O-CB 3.21Å; H393-T396 PolarHBondContact O-N 3.23Å; H393-W397 PolarHBondContact O-N 3.1Å
394Q88.3Confident84.8Confident137 Ų13794.8 Ų94.864%0.6448%0.476SS*.Hα-helixtrans-51.5-36.8-176.8-172.8-175.67.300112.9W397 L398Q394-W397 PolarHBondContact O-N 3.34Å; Q394-L398 HydrophobicContact CG-CD1 3.96Å; Q394-L398 HydrophobicContact CG-CG 4.35Å; Q394-L398 WeakPolarHBondContact O-CB 3.42Å; Q394-L398 VanDerWaalsContact O-CG 3.26Å; Q394-L398 WeakPolarHBondContact O-CG 3.47Å; Q394-L398 PolarHBondContact O-N 3.16Å
395I90.1Very high85.7Confident144 Ų14495 Ų9574%0.73848%0.478SS*.Hα-helixtrans-64.2-46177.5-63.2165.6000110.9H393 L398 A399H393-I395 PolarHBondContact O-N 3.41Å; H393-I395 VanDerWaalsContact O-N 3.11Å; I395-L398 PolarHBondContact O-N 3.08Å; I395-A399 WeakPolarHBondContact O-CB 3.31Å; I395-A399 PolarHBondContact O-N 3.07Å
396T91.7Very high86.6Confident78 Ų78100.7 Ų100.748%0.47950%0.502SS..Hα-helixtrans-63.9-42.1177.9-43.20000111.4P385 H393 A399 H400P385-T396 HydrophobicContact CB-CG2 4.06Å; H393-T396 WeakPolarHBondContact O-CB 3.21Å; H393-T396 PolarHBondContact O-N 3.23Å; T396-A399 PolarHBondContact O-N 3.27Å; T396-H400 PolarHBondContact O-N 3.39Å
397W91.6Very high87.1Confident72 Ų72101.4 Ų101.427%0.27349%0.494SS..Hα-helixtrans-65.2-42.4175.8-18074.9000112.6P385 H390 H393 Q394 A399 H400 Q401P385-W397 HydrophobicContact CG-CB 4.5Å; H390-W397 HydrophobicContact CB-CG 4.27Å; H390-W397 AromaticContact CE1-CD2 3.92Å; H390-W397 AromaticContact CE1-CE2 3.56Å; H390-W397 AromaticContact CE1-CH2 3.91Å; H390-W397 AromaticContact CE1-CZ2 3.57Å; H390-W397 AromaticContact ND1-CD1 3.49Å; H390-W397 AromaticContact ND1-CD2 3.34Å; H390-W397 VanDerWaalsContact ND1-CD2 3.34Å; H390-W397 AromaticContact ND1-CE2 3.09Å; H390-W397 AromaticContact ND1-CG 3.62Å; H390-W397 AromaticContact ND1-CZ2 3.62Å; H390-W397 AromaticContact ND1-NE1 3.17Å; H390-W397 PolarHBondContact ND1-NE1 3.34Å; H390-W397 VanDerWaalsContact ND1-NE1 3.17Å; H393-W397 PolarHBondContact O-N 3.1Å; Q394-W397 PolarHBondContact O-N 3.34Å; W397-A399 VanDerWaalsContact C-N 3.35Å; W397-H400 PolarHBondContact O-N 2.94Å; W397-Q401 WeakPolarHBondContact O-CB 3.31Å; W397-Q401 PolarHBondContact O-N 3.43Å
398L93Very high87.7Confident79 Ų7996.3 Ų96.341%0.41447%0.474SS..Hα-helixtrans-66.2-34.6174.8-74.5172.4000112.6Q394 I395 A402Q394-L398 HydrophobicContact CG-CD1 3.96Å; Q394-L398 HydrophobicContact CG-CG 4.35Å; Q394-L398 WeakPolarHBondContact O-CB 3.42Å; Q394-L398 VanDerWaalsContact O-CG 3.26Å; Q394-L398 WeakPolarHBondContact O-CG 3.47Å; Q394-L398 PolarHBondContact O-N 3.16Å; I395-L398 PolarHBondContact O-N 3.08Å; L398-A402 VanDerWaalsContact O-CB 3.3Å; L398-A402 WeakPolarHBondContact O-CB 3.37Å; L398-A402 PolarHBondContact O-N 3.25Å
399A91Very high88.3Confident55 Ų5594.4 Ų94.446%0.45546%0.464SS..Hα-helixtrans-65.2-47.9175.700000111.2I395 T396 W397 A402 Q403I395-A399 WeakPolarHBondContact O-CB 3.31Å; I395-A399 PolarHBondContact O-N 3.07Å; T396-A399 PolarHBondContact O-N 3.27Å; W397-A399 VanDerWaalsContact C-N 3.35Å; A399-A402 PolarHBondContact O-N 3.47Å; A399-Q403 WeakPolarHBondContact O-CB 3.42Å; A399-Q403 PolarHBondContact O-N 3.23Å
400H88.2Confident88.8Confident40 Ų4099.3 Ų99.319%0.18548%0.484CS..Hα-helixtrans-62.4-43.5174.6-173.5-95.8000112.2D383 D384 P385 T396 W397 A402 Q403 E404D383-H400 PolarHBondContact O-CD2 3.49Å; D383-H400 VanDerWaalsContact O-CD2 3.27Å; D384-H400 IonicContact OD1-CE1 2.68Å; D384-H400 PolarHBondContact OD1-CE1 3.32Å; D384-H400 VanDerWaalsContact OD1-CE1 3.26Å; D384-H400 IonicContact OD1-NE2 3.48Å; P385-H400 VanDerWaalsContact CD-CD2 3.46Å; P385-H400 WeakPolarHBondContact CD-CD2 3.43Å; P385-H400 HydrophobicContact CG-CB 3.44Å; P385-H400 VanDerWaalsContact CG-CB 3.44Å; T396-H400 PolarHBondContact O-N 3.39Å; W397-H400 PolarHBondContact O-N 2.94Å; H400-A402 VanDerWaalsContact C-N 3.28Å; H400-A402 PolarHBondContact O-N 3.37Å; H400-Q403 PolarHBondContact O-N 3.39Å; H400-E404 WeakPolarHBondContact O-CB 3.24Å; H400-E404 PolarHBondContact O-N 3.18Å
401Q89.9Confident89.3Confident89 Ų8997.6 Ų97.642%0.41648%0.475SS..Hα-helixtrans-62.3-35.7176.3-168.8-176.93400112.2W397 N405W397-Q401 WeakPolarHBondContact O-CB 3.31Å; W397-Q401 PolarHBondContact O-N 3.43Å; Q401-N405 VanDerWaalsContact O-CB 3.3Å; Q401-N405 WeakPolarHBondContact O-CB 3.14Å; Q401-N405 PolarHBondContact O-N 2.95Å
402A91.3Very high89.6Confident54 Ų5493.7 Ų93.745%0.44646%0.461SS..Hα-helixtrans-68.1-44173.700000111.6L398 A399 H400 N405 E406L398-A402 VanDerWaalsContact O-CB 3.3Å; L398-A402 WeakPolarHBondContact O-CB 3.37Å; L398-A402 PolarHBondContact O-N 3.25Å; A399-A402 PolarHBondContact O-N 3.47Å; H400-A402 VanDerWaalsContact C-N 3.28Å; H400-A402 PolarHBondContact O-N 3.37Å; A402-N405 PolarHBondContact O-N 3.06Å; A402-E406 WeakPolarHBondContact O-CB 3.41Å; A402-E406 PolarHBondContact O-N 3.16Å
403Q89.6Confident89.7Confident88 Ų8893.8 Ų93.841%0.41146%0.457SS..Hα-helixtrans-63.8-40.5177.6-177.5179.7-33.600112.6A399 H400 E406 M407A399-Q403 WeakPolarHBondContact O-CB 3.42Å; A399-Q403 PolarHBondContact O-N 3.23Å; H400-Q403 PolarHBondContact O-N 3.39Å; Q403-E406 PolarHBondContact O-N 3.48Å; Q403-M407 WeakPolarHBondContact O-CB 3.48Å; Q403-M407 PolarHBondContact O-N 3.44Å
404E86.3Confident89.7Confident115 Ų11591.5 Ų91.554%0.53746%0.456SS..Hα-helixtrans-64.1-43.7174.5-176.1176.7-14900111.5H400 M407 E408H400-E404 WeakPolarHBondContact O-CB 3.24Å; H400-E404 PolarHBondContact O-N 3.18Å; E404-M407 PolarHBondContact O-N 2.9Å; E404-E408 PolarHBondContact O-N 2.9Å
405N90.4Very high89.8Confident88 Ų8890.5 Ų90.547%0.47145%0.451SS..Hα-helixtrans-67.6-38176.3-178.930.7000112.3Q401 A402 E408 L409Q401-N405 VanDerWaalsContact O-CB 3.3Å; Q401-N405 WeakPolarHBondContact O-CB 3.14Å; Q401-N405 PolarHBondContact O-N 2.95Å; A402-N405 PolarHBondContact O-N 3.06Å; N405-E408 PolarHBondContact O-N 3.06Å; N405-L409 WeakPolarHBondContact O-CB 3.35Å; N405-L409 VanDerWaalsContact O-CG 3.27Å; N405-L409 WeakPolarHBondContact O-CG 3.3Å; N405-L409 PolarHBondContact O-N 2.92Å
406E89.3Confident89.9Confident138 Ų13887.3 Ų87.365%0.64544%0.442SS*.Hα-helixtrans-62.9-44.9173.3-176.4161.1-142.500111.1A402 Q403 E408 L409 E410A402-E406 WeakPolarHBondContact O-CB 3.41Å; A402-E406 PolarHBondContact O-N 3.16Å; Q403-E406 PolarHBondContact O-N 3.48Å; E406-E408 PolarHBondContact O-N 2.94Å; E406-L409 PolarHBondContact O-N 3.1Å; E406-E410 WeakPolarHBondContact O-CB 3.36Å; E406-E410 PolarHBondContact O-N 2.84Å
407M85.5Confident89.9Confident60 Ų6091.5 Ų91.530%0.29645%0.449SS..Hα-helixtrans-62.7-38.8174.5-169.7-162.9-63.300112.6Q403 E404 K411Q403-M407 WeakPolarHBondContact O-CB 3.48Å; Q403-M407 PolarHBondContact O-N 3.44Å; E404-M407 PolarHBondContact O-N 2.9Å; M407-K411 HydrophobicContact CG-CD 4.17Å; M407-K411 WeakPolarHBondContact O-CB 3.46Å; M407-K411 WeakPolarHBondContact O-CD 3.26Å; M407-K411 VanDerWaalsContact O-CG 3.31Å; M407-K411 WeakPolarHBondContact O-CG 3.31Å; M407-K411 PolarHBondContact O-N 3Å; M407-K411 PolarHBondContact SD-NZ 3.48Å
408E87.5Confident89.8Confident91 Ų9197.2 Ų97.243%0.42547%0.47SS..Hα-helixtrans-68.5-38.8175.4-158.6-162.3-164.200111.8E404 N405 E406 R412E404-E408 PolarHBondContact O-N 2.9Å; N405-E408 PolarHBondContact O-N 3.06Å; E406-E408 PolarHBondContact O-N 2.94Å; E408-R412 VanDerWaalsContact CD-CZ 3.42Å; E408-R412 WeakPolarHBondContact O-CG 3.46Å; E408-R412 PolarHBondContact O-N 3.02Å; E408-R412 IonicContact OE1-CZ 2.69Å; E408-R412 VanDerWaalsContact OE1-CZ 3.29Å; E408-R412 IonicContact OE1-NH1 3.78Å; E408-R412 PolarHBondContact OE1-NH1 3.47Å; E408-R412 IonicContact OE1-NH2 2.74Å; E408-R412 PolarHBondContact OE1-NH2 3.22Å; E408-R412 IonicContact OE2-CZ 3.29Å; E408-R412 IonicContact OE2-NH1 3.34Å; E408-R412 PolarHBondContact OE2-NH1 2.96Å; E408-R412 IonicContact OE2-NH2 2.66Å; E408-R412 PolarHBondContact OE2-NH2 3.11Å
409L91.2Very high89.7Confident74 Ų7498 Ų9839%0.38748%0.475SS..Hα-helixtrans-66.7-43.1174.8-76.2168.4000111.9N405 E406 R412 W413N405-L409 WeakPolarHBondContact O-CB 3.35Å; N405-L409 VanDerWaalsContact O-CG 3.27Å; N405-L409 WeakPolarHBondContact O-CG 3.3Å; N405-L409 PolarHBondContact O-N 2.92Å; E406-L409 PolarHBondContact O-N 3.1Å; L409-R412 PolarHBondContact O-N 3.06Å; L409-W413 VanDerWaalsContact O-CB 3.24Å; L409-W413 WeakPolarHBondContact O-CB 3.3Å; L409-W413 PolarHBondContact O-N 2.85Å
410E90.1Very high89.8Confident116 Ų116102.6 Ų102.654%0.54249%0.485SS..Hα-helixtrans-61-45.1175.5179.4156.1-134.700111.2E406 R412 W413 A414E406-E410 WeakPolarHBondContact O-CB 3.36Å; E406-E410 PolarHBondContact O-N 2.84Å; E410-R412 PolarHBondContact O-N 3.3Å; E410-W413 CarbonylContact O-C 3.52Å; E410-W413 WeakPolarHBondContact O-CA 3.27Å; E410-W413 WeakPolarHBondContact O-CB 3.37Å; E410-W413 PolarHBondContact O-N 3.46Å; E410-A414 WeakPolarHBondContact O-CB 3.29Å; E410-A414 PolarHBondContact O-N 2.86Å
411K88.8Confident90Very high65 Ų65103.5 Ų103.528%0.28350%0.499SS..Hα-helixtrans-60.7-46.8175.8-74.9165.6-175.4171.80111.6D372 S374 M407 W413 A414 E415D372-K411 WeakPolarHBondContact OD2-CE 3.34Å; D372-K411 IonicContact OD2-NZ 3.17Å; S374-K411 WeakPolarHBondContact OG-CE 3.4Å; S374-K411 PolarHBondContact OG-NZ 2.94Å; M407-K411 HydrophobicContact CG-CD 4.17Å; M407-K411 WeakPolarHBondContact O-CB 3.46Å; M407-K411 WeakPolarHBondContact O-CD 3.26Å; M407-K411 VanDerWaalsContact O-CG 3.31Å; M407-K411 WeakPolarHBondContact O-CG 3.31Å; M407-K411 PolarHBondContact O-N 3Å; M407-K411 PolarHBondContact SD-NZ 3.48Å; K411-W413 VanDerWaalsContact C-N 3.27Å; K411-W413 PolarHBondContact O-N 2.92Å; K411-A414 PolarHBondContact O-N 3.27Å; K411-E415 WeakPolarHBondContact O-CB 3.49Å; K411-E415 VanDerWaalsContact O-CG 3.31Å; K411-E415 WeakPolarHBondContact O-CG 3.5Å; K411-E415 PolarHBondContact O-N 3.45Å
412R90.5Very high90.1Very high123 Ų123102.5 Ų102.546%0.46450%0.501SS..Hα-helixtrans-60.4-34171.7-74.2-175.8179.7114.59.9113.3E408 L409 E410 S416E408-R412 VanDerWaalsContact CD-CZ 3.42Å; E408-R412 WeakPolarHBondContact O-CG 3.46Å; E408-R412 PolarHBondContact O-N 3.02Å; E408-R412 IonicContact OE1-CZ 2.69Å; E408-R412 VanDerWaalsContact OE1-CZ 3.29Å; E408-R412 IonicContact OE1-NH1 3.78Å; E408-R412 PolarHBondContact OE1-NH1 3.47Å; E408-R412 IonicContact OE1-NH2 2.74Å; E408-R412 PolarHBondContact OE1-NH2 3.22Å; E408-R412 IonicContact OE2-CZ 3.29Å; E408-R412 IonicContact OE2-NH1 3.34Å; E408-R412 PolarHBondContact OE2-NH1 2.96Å; E408-R412 IonicContact OE2-NH2 2.66Å; E408-R412 PolarHBondContact OE2-NH2 3.11Å; L409-R412 PolarHBondContact O-N 3.06Å; E410-R412 PolarHBondContact O-N 3.3Å; R412-S416 WeakPolarHBondContact O-CB 3.38Å; R412-S416 PolarHBondContact O-N 2.92Å
413W90.6Very high90.2Very high159 Ų159103.7 Ų103.760%0.60250%0.5SS*.Hα-helixtrans-75.5-33.3178.4-88.511.1000113.2L409 E410 K411 R417L409-W413 VanDerWaalsContact O-CB 3.24Å; L409-W413 WeakPolarHBondContact O-CB 3.3Å; L409-W413 PolarHBondContact O-N 2.85Å; E410-W413 CarbonylContact O-C 3.52Å; E410-W413 WeakPolarHBondContact O-CA 3.27Å; E410-W413 WeakPolarHBondContact O-CB 3.37Å; E410-W413 PolarHBondContact O-N 3.46Å; K411-W413 VanDerWaalsContact C-N 3.27Å; K411-W413 PolarHBondContact O-N 2.92Å; W413-R417 WeakPolarHBondContact O-CB 3.38Å; W413-R417 VanDerWaalsContact O-CG 3.31Å; W413-R417 WeakPolarHBondContact O-CG 3.49Å; W413-R417 PolarHBondContact O-N 2.99Å; W413-R417 VanDerWaalsContact O-N 3.1Å; W413-R417 PolarHBondContact O-NH1 3.06Å; W413-R417 VanDerWaalsContact O-NH1 3.15Å
414A88.4Confident90.5Very high56 Ų56107.8 Ų107.846%0.46351%0.512SS..Hα-helixtrans-71.2-46.6171.400000110.5E410 K411 S416 R417 R418E410-A414 WeakPolarHBondContact O-CB 3.29Å; E410-A414 PolarHBondContact O-N 2.86Å; K411-A414 PolarHBondContact O-N 3.27Å; A414-S416 PolarHBondContact O-N 2.96Å; A414-R417 PolarHBondContact O-N 3.4Å; A414-R418 WeakPolarHBondContact O-CB 3.5Å; A414-R418 PolarHBondContact O-N 2.92Å
415E91Very high90.8Very high116 Ų116106.6 Ų106.654%0.54252%0.522SS..Hα-helixtrans-56.9-46171.7-74.9175.5177.900112.1K411 R417 R418 N419K411-E415 WeakPolarHBondContact O-CB 3.49Å; K411-E415 VanDerWaalsContact O-CG 3.31Å; K411-E415 WeakPolarHBondContact O-CG 3.5Å; K411-E415 PolarHBondContact O-N 3.45Å; E415-R417 PolarHBondContact O-N 3.06Å; E415-R418 PolarHBondContact O-N 3.21Å; E415-N419 VanDerWaalsContact O-CB 3.26Å; E415-N419 WeakPolarHBondContact O-CB 3.42Å; E415-N419 PolarHBondContact O-N 3.25Å; E415-N419 PolarHBondContact O-ND2 3.33Å
416S91.3Very high91Very high77 Ų77109.2 Ų109.254%0.53853%0.529SS..Hα-helixtrans-62.5-41.9177.9-176.60000112R412 A414 K420R412-S416 WeakPolarHBondContact O-CB 3.38Å; R412-S416 PolarHBondContact O-N 2.92Å; A414-S416 PolarHBondContact O-N 2.96Å; S416-K420 WeakPolarHBondContact O-CB 3.48Å; S416-K420 PolarHBondContact O-N 3.3Å
417R92.2Very high91.3Very high167 Ų167108.5 Ų108.563%0.6352%0.522SS*.Hα-helixtrans-63-46.7172.1-76.8175.2178.984.5-12.2111.9W413 A414 E415 N419 K420 A421W413-R417 WeakPolarHBondContact O-CB 3.38Å; W413-R417 VanDerWaalsContact O-CG 3.31Å; W413-R417 WeakPolarHBondContact O-CG 3.49Å; W413-R417 PolarHBondContact O-N 2.99Å; W413-R417 VanDerWaalsContact O-N 3.1Å; W413-R417 PolarHBondContact O-NH1 3.06Å; W413-R417 VanDerWaalsContact O-NH1 3.15Å; A414-R417 PolarHBondContact O-N 3.4Å; E415-R417 PolarHBondContact O-N 3.06Å; R417-N419 PolarHBondContact O-N 3.18Å; R417-K420 PolarHBondContact O-N 3.44Å; R417-A421 WeakPolarHBondContact O-CB 3.35Å; R417-A421 PolarHBondContact O-N 2.83Å
418R89.4Confident91.5Very high192 Ų192108.8 Ų108.873%0.72554%0.54SS*.Hα-helixtrans-60.2-44177.3-177.6-179.1176110.30111.7A414 E415 A421 S422A414-R418 WeakPolarHBondContact O-CB 3.5Å; A414-R418 PolarHBondContact O-N 2.92Å; E415-R418 PolarHBondContact O-N 3.21Å; R418-A421 PolarHBondContact O-N 3.16Å; R418-S422 VanDerWaalsContact O-CB 3.29Å; R418-S422 WeakPolarHBondContact O-CB 3.33Å; R418-S422 PolarHBondContact O-N 3.43Å
419N91.5Very high91Very high95 Ų95113.5 Ų113.551%0.50856%0.559SS.*Hα-helixtrans-66.9-38.7176.8-72.9-28.1000111.7E415 R417 N423E415-N419 VanDerWaalsContact O-CB 3.26Å; E415-N419 WeakPolarHBondContact O-CB 3.42Å; E415-N419 PolarHBondContact O-N 3.25Å; E415-N419 PolarHBondContact O-ND2 3.33Å; R417-N419 PolarHBondContact O-N 3.18Å; N419-N423 WeakPolarHBondContact O-CB 3.41Å; N419-N423 VanDerWaalsContact O-CG 3.24Å; N419-N423 PolarHBondContact O-N 3.08Å; N419-N423 PolarHBondContact O-ND2 3.01Å
420K93.2Very high90.9Very high152 Ų152115.5 Ų115.566%0.66157%0.568SS**Hα-helixtrans-64.2-43.7172.4-170.9-179.5179.9-174.50111.9S416 R417 N423 R424S416-K420 WeakPolarHBondContact O-CB 3.48Å; S416-K420 PolarHBondContact O-N 3.3Å; R417-K420 PolarHBondContact O-N 3.44Å; K420-N423 PolarHBondContact O-N 2.88Å; K420-R424 WeakPolarHBondContact O-CB 3.45Å; K420-R424 PolarHBondContact O-N 2.92Å
421A92.2Very high91Very high58 Ų58115.4 Ų115.448%0.47957%0.569SS.*Hα-helixtrans-63.7-44.7176.200000111.9R417 R418 N423 R424 A425R417-A421 WeakPolarHBondContact O-CB 3.35Å; R417-A421 PolarHBondContact O-N 2.83Å; R418-A421 PolarHBondContact O-N 3.16Å; A421-N423 PolarHBondContact O-N 2.99Å; A421-R424 PolarHBondContact O-N 2.94Å; A421-A425 WeakPolarHBondContact O-CB 3.45Å; A421-A425 PolarHBondContact O-N 2.81Å
422S91.8Very high91.1Very high68 Ų68118.2 Ų118.248%0.47659%0.585SS.*Hα-helixtrans-62.2-40.8175.7-174.30000112.3R418 A425 K426R418-S422 VanDerWaalsContact O-CB 3.29Å; R418-S422 WeakPolarHBondContact O-CB 3.33Å; R418-S422 PolarHBondContact O-N 3.43Å; S422-A425 PolarHBondContact O-N 2.97Å; S422-K426 VanDerWaalsContact O-CB 3.25Å; S422-K426 WeakPolarHBondContact O-CB 3.35Å; S422-K426 PolarHBondContact O-N 3.22Å
423N93.9Very high91.1Very high79 Ų79117.9 Ų117.942%0.42259%0.592SS.*Hα-helixtrans-66.4-43.2173.7-74.9-24.8000111.9N419 K420 A421 A425 K426 Y427N419-N423 WeakPolarHBondContact O-CB 3.41Å; N419-N423 VanDerWaalsContact O-CG 3.24Å; N419-N423 PolarHBondContact O-N 3.08Å; N419-N423 PolarHBondContact O-ND2 3.01Å; K420-N423 PolarHBondContact O-N 2.88Å; A421-N423 PolarHBondContact O-N 2.99Å; N423-A425 VanDerWaalsContact C-N 3.32Å; N423-A425 PolarHBondContact O-N 3.03Å; N423-K426 PolarHBondContact O-N 3.42Å; N423-K426 VanDerWaalsContact O-N 3.16Å; N423-Y427 HydrophobicContact CB-CD2 4.4Å; N423-Y427 WeakPolarHBondContact O-CB 3.28Å; N423-Y427 WeakPolarHBondContact O-CD2 3.42Å; N423-Y427 PolarHBondContact O-N 3.09Å
424R94.6Very high91.2Very high174 Ų174115.4 Ų115.466%0.65759%0.591SS**Hα-helixtrans-61.4-40.4175.3-165.3178.282.7160.14.6111.5K420 A421 G428K420-R424 WeakPolarHBondContact O-CB 3.45Å; K420-R424 PolarHBondContact O-N 2.92Å; A421-R424 PolarHBondContact O-N 2.94Å; R424-G428 WeakPolarHBondContact O-CA 3.43Å; R424-G428 PolarHBondContact O-N 3.1Å
425A92.7Very high91.4Very high91 Ų91119.3 Ų119.375%0.75260%0.6SS**Hα-helixtrans-66.8-34.1175.200000113A421 S422 N423A421-A425 WeakPolarHBondContact O-CB 3.45Å; A421-A425 PolarHBondContact O-N 2.81Å; S422-A425 PolarHBondContact O-N 2.97Å; N423-A425 VanDerWaalsContact C-N 3.32Å; N423-A425 PolarHBondContact O-N 3.03Å
426K96Very high91.4Very high143 Ų143119.6 Ų119.662%0.62260%0.604SS**Hα-helixtrans-84-28.7-178.2-172.6177.3178.1-162.30114.4S422 N423S422-K426 VanDerWaalsContact O-CB 3.25Å; S422-K426 WeakPolarHBondContact O-CB 3.35Å; S422-K426 PolarHBondContact O-N 3.22Å; N423-K426 PolarHBondContact O-N 3.42Å; N423-K426 VanDerWaalsContact O-N 3.16Å
427Y96Very high91.4Very high123 Ų123122.8 Ų122.848%0.48261%0.609SS.*Hα-helixtrans-127.9-12-170.3-60.6-68.5000114.9N423 F429N423-Y427 HydrophobicContact CB-CD2 4.4Å; N423-Y427 WeakPolarHBondContact O-CB 3.28Å; N423-Y427 WeakPolarHBondContact O-CD2 3.42Å; N423-Y427 PolarHBondContact O-N 3.09Å; Y427-F429 VanDerWaalsContact C-N 3.34Å; Y427-F429 HydrophobicContact CG-CZ 4.4Å; Y427-F429 WeakPolarHBondContact O-CD1 3.35Å; Y427-F429 WeakPolarHBondContact O-CE1 3.3Å
428G88.5Confident91.3Very high65 Ų65119.2 Ų119.267%0.6761%0.607SS**  trans81.31.718000000115.8R424R424-G428 WeakPolarHBondContact O-CA 3.43Å; R424-G428 PolarHBondContact O-N 3.1Å
429F76.3Confident91.5Very high190 Ų190112.5 Ų112.583%0.83360%0.597SS**  trans-136.10-179.253.7-99.2000113Y427Y427-F429 VanDerWaalsContact C-N 3.34Å; Y427-F429 HydrophobicContact CG-CZ 4.4Å; Y427-F429 WeakPolarHBondContact O-CD1 3.35Å; Y427-F429 WeakPolarHBondContact O-CE1 3.3Å

Retrieved 429 of 429 residues in 56.9 ms (Link to these results)