A0A3Q0KRV3_SCHMA Loading...

Sperm-tail PG-rich repeat-containing protein 2

AlphaFold DB , UniProt , Accession A0A3Q0KRV3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 579 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.9Very low65.2Low228 Ų228175.2 Ų175.2100%1.12380%0.795SS**  0109.40-73.4170.871.200106.2D3M1-D3 PolarHBondContact O-N 2.74Å
2Y51.9Low64.3Low235 Ų235171.5 Ų171.592%0.92278%0.78SS**  trans-78.7105.6174.9-70.2-78.8000107.6R4Y2-R4 PolarHBondContact O-N 2.81Å
3D59.9Low63.4Low152 Ų152172.8 Ų172.881%0.81379%0.787SS**  trans-56.3126170.8-92-28000108.5M1 Q5M1-D3 PolarHBondContact O-N 2.74Å; D3-Q5 PolarHBondContact O-N 3.32Å; D3-Q5 VanDerWaalsContact O-N 3.13Å
4R67.1Low62.8Low239 Ų239174.2 Ų174.290%0.90279%0.791SS**  trans-75.2108.2175.9-62.8-177.8-175.2-178.71.2106.6Y2 E6Y2-R4 PolarHBondContact O-N 2.81Å; R4-E6 PolarHBondContact O-N 3.26Å
5Q77.9Confident62.1Low183 Ų183170.3 Ų170.386%0.85579%0.785SS**  trans-48.1134.4176.6-170.5152.8-2.800111.5D3 R7D3-Q5 PolarHBondContact O-N 3.32Å; D3-Q5 VanDerWaalsContact O-N 3.13Å; Q5-R7 PolarHBondContact O-N 3.33Å
6E73.7Confident61.7Low180 Ų180165.2 Ų165.284%0.84178%0.782SS**  trans-56135.3-178.5-82.1-172.314700111.5R4 I8R4-E6 PolarHBondContact O-N 3.26Å; E6-I8 PolarHBondContact O-N 2.98Å
7R72.1Confident61.5Low205 Ų205162.4 Ų162.477%0.77478%0.778SS**  trans-89107.2174.9-66.9-178-178.4170.5-1.8108.6Q5 F9Q5-R7 PolarHBondContact O-N 3.33Å; R7-F9 HydrophobicContact CB-CE1 4.32Å; R7-F9 HydrophobicContact CB-CE2 4.01Å; R7-F9 HydrophobicContact CB-CZ 3.91Å; R7-F9 WeakPolarHBondContact O-CD2 2.96Å; R7-F9 PolarHBondContact O-N 2.82Å
8I73.7Confident61.5Low146 Ų146159.4 Ų159.475%0.74977%0.767SS**  trans-78.7108.5173.2-55.1171.9000108E6 T10E6-I8 PolarHBondContact O-N 2.98Å; I8-T10 HydrophobicContact CG2-CG2 3.94Å; I8-T10 PolarHBondContact O-N 2.99Å
9F68.9Low61.8Low112 Ų112160.9 Ų160.949%0.49177%0.774SS.*  trans-91.480.4178.2-64-67.5000110.7R7 F11R7-F9 HydrophobicContact CB-CE1 4.32Å; R7-F9 HydrophobicContact CB-CE2 4.01Å; R7-F9 HydrophobicContact CB-CZ 3.91Å; R7-F9 WeakPolarHBondContact O-CD2 2.96Å; R7-F9 PolarHBondContact O-N 2.82Å; F9-F11 HydrophobicContact CB-CD1 4.47Å; F9-F11 HydrophobicContact CB-CE1 4.04Å; F9-F11 HydrophobicContact CB-CE2 4.34Å; F9-F11 HydrophobicContact CB-CZ 3.93Å; F9-F11 HydrophobicContact CD1-CD1 4.39Å; F9-F11 AromaticContact CD1-CE1 3.32Å; F9-F11 HydrophobicContact CD1-CE1 3.32Å; F9-F11 HydrophobicContact CD1-CE2 4.42Å; F9-F11 AromaticContact CD1-CZ 3.32Å; F9-F11 HydrophobicContact CD1-CZ 3.32Å; F9-F11 HydrophobicContact CE1-CE1 4.14Å; F9-F11 HydrophobicContact CE1-CZ 4.01Å; F9-F11 HydrophobicContact CG-CE1 4.11Å; F9-F11 AromaticContact CG-CZ 3.9Å; F9-F11 HydrophobicContact CG-CZ 3.9Å; F9-F11 PolarHBondContact O-N 3.23Å
10T64Low61.8Low109 Ų109158.9 Ų158.967%0.66977%0.767SS**G310 helixtrans-68.3-10.5178.551.40000114.2I8 Q12I8-T10 HydrophobicContact CG2-CG2 3.94Å; I8-T10 PolarHBondContact O-N 2.99Å; T10-Q12 VanDerWaalsContact C-N 3.3Å; T10-Q12 PolarHBondContact O-N 3.42Å
11F61.4Low61.8Low138 Ų138156.2 Ų156.261%0.60576%0.756SS**G310 helixtrans-74.1-16.7-179.655.2-107.2000114.2F9 E13 K14F9-F11 HydrophobicContact CB-CD1 4.47Å; F9-F11 HydrophobicContact CB-CE1 4.04Å; F9-F11 HydrophobicContact CB-CE2 4.34Å; F9-F11 HydrophobicContact CB-CZ 3.93Å; F9-F11 HydrophobicContact CD1-CD1 4.39Å; F9-F11 AromaticContact CD1-CE1 3.32Å; F9-F11 HydrophobicContact CD1-CE1 3.32Å; F9-F11 HydrophobicContact CD1-CE2 4.42Å; F9-F11 AromaticContact CD1-CZ 3.32Å; F9-F11 HydrophobicContact CD1-CZ 3.32Å; F9-F11 HydrophobicContact CE1-CE1 4.14Å; F9-F11 HydrophobicContact CE1-CZ 4.01Å; F9-F11 HydrophobicContact CG-CE1 4.11Å; F9-F11 AromaticContact CG-CZ 3.9Å; F9-F11 HydrophobicContact CG-CZ 3.9Å; F9-F11 PolarHBondContact O-N 3.23Å; F11-E13 VanDerWaalsContact C-N 3.25Å; F11-E13 PolarHBondContact O-N 2.97Å; F11-K14 PolarHBondContact O-N 3.19Å
12Q54.5Low62.4Low131 Ų131147.1 Ų147.161%0.61272%0.721SS**G310 helixtrans-73.3-13.3178.2-71.6-174.91.500113.6T10 K14 T15T10-Q12 VanDerWaalsContact C-N 3.3Å; T10-Q12 PolarHBondContact O-N 3.42Å; Q12-K14 PolarHBondContact O-N 3.41Å; Q12-T15 VanDerWaalsContact C-OG1 3.24Å; Q12-T15 VanDerWaalsContact CA-OG1 3.31Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.31Å; Q12-T15 WeakPolarHBondContact O-CB 3.14Å; Q12-T15 PolarHBondContact O-N 3.05Å; Q12-T15 PolarHBondContact O-OG1 2.86Å
13E52.8Low62.8Low188 Ų188143.4 Ų143.488%0.87973%0.725SS**G310 helixtrans-71.3-16.6170-82.4-173.3157.200112.5F11F11-E13 VanDerWaalsContact C-N 3.25Å; F11-E13 PolarHBondContact O-N 2.97Å
14K54.2Low62.4Low193 Ų193139.1 Ų139.184%0.83972%0.717SS**G310 helixtrans-103.343.8172.6-67.5-174.8178.3-177.60111.7F11 Q12 A16F11-K14 PolarHBondContact O-N 3.19Å; Q12-K14 PolarHBondContact O-N 3.41Å; K14-A16 VanDerWaalsContact C-N 3.26Å; K14-A16 PolarHBondContact O-N 2.96Å
15T52.3Low61.8Low115 Ų115130.4 Ų130.471%0.70669%0.693SS**  trans-90.445.7177.3-39.80000112.8Q12Q12-T15 VanDerWaalsContact C-OG1 3.24Å; Q12-T15 VanDerWaalsContact CA-OG1 3.31Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.31Å; Q12-T15 WeakPolarHBondContact O-CB 3.14Å; Q12-T15 PolarHBondContact O-N 3.05Å; Q12-T15 PolarHBondContact O-OG1 2.86Å
16A56Low60.4Low89 Ų89132 Ų13274%0.73669%0.692SS**  trans-136.6104.6162.300000108K14 D18K14-A16 VanDerWaalsContact C-N 3.26Å; K14-A16 PolarHBondContact O-N 2.96Å; A16-D18 PolarHBondContact O-N 2.77Å
17T58.1Low59Low117 Ų117127.7 Ų127.772%0.71868%0.682SS**  trans-59.1126.7161.6-37.60000106.6L21T17-L21 HydrophobicContact CG2-CB 3.86Å; T17-L21 HydrophobicContact CG2-CD1 3.59Å; T17-L21 HydrophobicContact CG2-CG 4.35Å
18D62.7Low57.9Low109 Ų109125.6 Ų125.658%0.58368%0.684SS**  trans-53.1143.1-179.3-169.11.2000110.9A16 N20 L21A16-D18 PolarHBondContact O-N 2.77Å; D18-N20 PolarHBondContact O-N 2.85Å; D18-L21 HydrophobicContact CB-CD1 4.01Å; D18-L21 HydrophobicContact CB-CG 4.18Å; D18-L21 PolarHBondContact O-N 3.2Å
19E66.6Low56.4Low189 Ų189126.4 Ų126.488%0.88369%0.685SS**THydrogen-bonded Turntrans-56.3-20.4-174.3-65.7-176.8176.400112.4
20N61.3Low55.2Low120 Ų120125.5 Ų125.564%0.64270%0.698SS**THydrogen-bonded Turntrans-93.34.5-177.1-69.72.6000114.6D18 G22 S25D18-N20 PolarHBondContact O-N 2.85Å; N20-G22 PolarHBondContact O-N 3.24Å; N20-S25 WeakPolarHBondContact O-CB 3.22Å; N20-S25 PolarHBondContact O-OG 3.29Å
21L61.9Low54.3Low102 Ų102125 Ų12553%0.53470%0.698SS.*  trans-95.787.1-177.7-65.8174.2000112.1T17 D18T17-L21 HydrophobicContact CG2-CB 3.86Å; T17-L21 HydrophobicContact CG2-CD1 3.59Å; T17-L21 HydrophobicContact CG2-CG 4.35Å; D18-L21 HydrophobicContact CB-CD1 4.01Å; D18-L21 HydrophobicContact CB-CG 4.18Å; D18-L21 PolarHBondContact O-N 3.2Å
22G60.1Low53.6Low38 Ų38126.1 Ų126.139%0.39271%0.71SS.*SBendtrans-110.9173.2168.500000112.1N20 G24 S25N20-G22 PolarHBondContact O-N 3.24Å; G22-G24 PolarHBondContact O-N 3.34Å; G22-S25 PolarHBondContact N-OG 2.67Å; G22-S25 VanDerWaalsContact N-OG 3.12Å; G22-S25 WeakPolarHBondContact O-CB 3.41Å; G22-S25 PolarHBondContact O-N 3.39Å; G22-S25 PolarHBondContact O-OG 3.3Å
23P59.1Low52.9Low156 Ų156126.3 Ų126.3100%1.01372%0.72SS**THydrogen-bonded Turntrans-66.218.3-17626.5-34.4000115.9
24G52.5Low52.6Low62 Ų62123 Ų12364%0.63972%0.718SS**THydrogen-bonded Turntrans-136.47.2169.800000113.9G22 Y26G22-G24 PolarHBondContact O-N 3.34Å; G24-Y26 PolarHBondContact O-N 3.02Å
25S54.2Low52.1Low56 Ų56117.1 Ų117.139%0.39271%0.712SS.*  trans-90.572.6-174.4-55.40000111.5N20 G22 C27N20-S25 WeakPolarHBondContact O-CB 3.22Å; N20-S25 PolarHBondContact O-OG 3.29Å; G22-S25 PolarHBondContact N-OG 2.67Å; G22-S25 VanDerWaalsContact N-OG 3.12Å; G22-S25 WeakPolarHBondContact O-CB 3.41Å; G22-S25 PolarHBondContact O-N 3.39Å; G22-S25 PolarHBondContact O-OG 3.3Å; S25-C27 VanDerWaalsContact C-N 3.27Å; S25-C27 PolarHBondContact O-N 3.05Å
26Y49.4Very low51.5Low216 Ų216117.8 Ų117.885%0.84772%0.72SS**  trans-73.689.2160.4-63.6-79.4000107.8G24 I28G24-Y26 PolarHBondContact O-N 3.02Å; Y26-I28 PolarHBondContact O-N 3.29Å; Y26-I28 VanDerWaalsContact O-N 3.12Å
27C42.5Very low51.4Low91 Ų91120.7 Ų120.762%0.61572%0.723SS**  trans-72.1105.1163-160.10000106.6S25 Q29S25-C27 VanDerWaalsContact C-N 3.27Å; S25-C27 PolarHBondContact O-N 3.05Å; C27-Q29 PolarHBondContact O-N 2.93Å
28I50.3Low51Low161 Ų161118.2 Ų118.283%0.82671%0.707SS**  trans-73.564.5170.1-33169000106.8Y26 A30Y26-I28 PolarHBondContact O-N 3.29Å; Y26-I28 VanDerWaalsContact O-N 3.12Å; I28-A30 PolarHBondContact O-N 3.13Å
29Q41.4Very low50.6Low163 Ų163115.1 Ų115.176%0.76270%0.701SS**  trans-73.793.1167.4-95.8179.6-19.700106.9C27 S31C27-Q29 PolarHBondContact O-N 2.93Å; Q29-S31 PolarHBondContact O-N 3.18Å
30A44.5Very low50.1Low93 Ų93112.8 Ų112.877%0.76969%0.685SS**  trans-48.5100.2161.100000110I28I28-A30 PolarHBondContact O-N 3.13Å
31S43.5Very low50.1Low97 Ų97108.3 Ų108.368%0.67867%0.665SS**  trans-125.584147.250.90000105.2Q29 T33Q29-S31 PolarHBondContact O-N 3.18Å; S31-T33 PolarHBondContact O-N 3.25Å
32L48.5Very low50.4Low162 Ų162109.2 Ų109.285%0.84868%0.677SS**  48.359.590.9-138.291.2000111.6
33T39.4Very low50.3Low135 Ų135115.6 Ų115.683%0.82870%0.695SS**  trans-114.995.5153.249.40000108.1S31 G35S31-T33 PolarHBondContact O-N 3.25Å; T33-G35 PolarHBondContact O-N 2.89Å
34S45.8Very low50.4Low120 Ų120118.1 Ų118.184%0.83969%0.693SS**  trans-48.8121.5172.1-47.50000110.7
35G44Very low51.1Low68 Ų68117.6 Ų117.670%0.70168%0.679SS**  trans158.166.6170.300000114.5T33T33-G35 PolarHBondContact O-N 2.89Å
36C40.3Very low51.5Low129 Ų129122 Ų12287%0.87270%0.698SS**  trans168.751.9134.8-87.40000110.7V38C36-V38 PolarHBondContact O-N 3.24Å
37D54.3Low52.3Low151 Ų151116.9 Ų116.981%0.80769%0.689SS**  trans-77.56.5174.5-97.4-20.9000113.8G39D37-G39 PolarHBondContact O-N 3.09Å
38V48.2Very low53.5Low64 Ų64118.6 Ų118.639%0.38869%0.688SS.*  trans-100.179.8179-169.40000109.6C36 Y40 E48C36-V38 PolarHBondContact O-N 3.24Å; V38-Y40 HydrophobicContact CG1-CD2 4.26Å; V38-Y40 HydrophobicContact CG1-CE1 4.23Å; V38-Y40 HydrophobicContact CG1-CE2 3.81Å; V38-Y40 PolarHBondContact O-N 3.06Å; V38-E48 HydrophobicContact CG1-CG 3.94Å
39G55.5Low54.1Low44 Ų44118.7 Ų118.745%0.45468%0.678SS.*  trans-78.9105.7164.700000110.1D37D37-G39 PolarHBondContact O-N 3.09Å
40Y56.4Low55Low140 Ų140119.5 Ų119.555%0.54968%0.679SS.*BIsolated β-bridgetrans-67.8137.1170.7-69.8-78.7000110.6V38 L46V38-Y40 HydrophobicContact CG1-CD2 4.26Å; V38-Y40 HydrophobicContact CG1-CE1 4.23Å; V38-Y40 HydrophobicContact CG1-CE2 3.81Å; V38-Y40 PolarHBondContact O-N 3.06Å; Y40-L46 HydrophobicContact CD1-CD2 4.06Å; Y40-L46 HydrophobicContact CE1-CB 4.49Å; Y40-L46 HydrophobicContact CE1-CD2 4.01Å
41A59.8Low55.9Low27 Ų27120.3 Ų120.322%0.22367%0.67CS.*  trans-68.8139.3174.700000110.4F43A41-F43 VanDerWaalsContact C-N 3.25Å; A41-F43 PolarHBondContact O-N 2.89Å
42P67.7Low56.6Low121 Ų121122.3 Ų122.379%0.78667%0.673SS**SBendtrans-725.9-162.324.2-33.3000117.5
43F58.4Low57.2Low172 Ų172123.4 Ų123.475%0.75467%0.671SS**SBendtrans-152.4122.1170.851.9-88.7000112.7A41 S45A41-F43 VanDerWaalsContact C-N 3.25Å; A41-F43 PolarHBondContact O-N 2.89Å; F43-S45 PolarHBondContact O-N 3.44Å
44E62.2Low58Low208 Ų208121.6 Ų121.697%0.97266%0.664SS**SBendtrans56.815.6161.3-61.7-84.5152.700117.8
45S66.4Low58.6Low51 Ų51125.3 Ų125.336%0.35767%0.666SS.*  trans-129.2117.6168.873.20000111.6F43 T47F43-S45 PolarHBondContact O-N 3.44Å; S45-T47 PolarHBondContact O-N 3.08Å
46L61.9Low59.4Low149 Ų149127.4 Ų127.478%0.7867%0.67SS**  trans-82.18.3173.9-70.4173000113.2Y40Y40-L46 HydrophobicContact CD1-CD2 4.06Å; Y40-L46 HydrophobicContact CE1-CB 4.49Å; Y40-L46 HydrophobicContact CE1-CD2 4.01Å
47T67.8Low60.2Low108 Ų108123.3 Ų123.366%0.66365%0.649SS**  trans-74.9127.1-179.6-47.80000110.5S45S45-T47 PolarHBondContact O-N 3.08Å
48E66Low60.5Low127 Ų127118.8 Ų118.859%0.59363%0.632SS**BIsolated β-bridgetrans-63.1133178.9-53.5-176.5159.800111.3V38 K50V38-E48 HydrophobicContact CG1-CG 3.94Å; E48-K50 PolarHBondContact O-N 3.44Å
49R63.2Low61.3Low164 Ų164124.9 Ų124.962%0.61966%0.657SS**  trans-77.4110.9173.4-83.917676.5130.5-3.1110.1L51R49-L51 PolarHBondContact O-N 2.89Å
50K62Low62Low180 Ų180128 Ų12878%0.78367%0.672SS**  trans-73.9110.3167-65.9-173.5178.7-177.70110E48 N52E48-K50 PolarHBondContact O-N 3.44Å; K50-N52 VanDerWaalsContact C-N 3.33Å; K50-N52 PolarHBondContact O-N 2.73Å
51L63.4Low62.7Low110 Ų110125.6 Ų125.658%0.57668%0.675SS**  trans-84.772.8173.2-67.3174.7000110.2R49 F53R49-L51 PolarHBondContact O-N 2.89Å; L51-F53 VanDerWaalsContact C-N 3.31Å; L51-F53 HydrophobicContact CB-CD2 4.38Å; L51-F53 HydrophobicContact CB-CE2 4.4Å; L51-F53 HydrophobicContact CD2-CE2 4.02Å; L51-F53 PolarHBondContact O-N 3.03Å; L51-F53 VanDerWaalsContact O-N 3.07Å
52N57.7Low63.3Low139 Ų139126.4 Ų126.474%0.74368%0.678SS**  trans-83.973.2175.8-66.8-4.2000110.5K50 S54K50-N52 VanDerWaalsContact C-N 3.33Å; K50-N52 PolarHBondContact O-N 2.73Å; N52-S54 PolarHBondContact O-N 3.26Å
53F60.4Low63.3Low185 Ų185123.1 Ų123.181%0.81166%0.658SS**  trans-80.789.3164.6-66.8-75000108.6L51L51-F53 VanDerWaalsContact C-N 3.31Å; L51-F53 HydrophobicContact CB-CD2 4.38Å; L51-F53 HydrophobicContact CB-CE2 4.4Å; L51-F53 HydrophobicContact CD2-CE2 4.02Å; L51-F53 PolarHBondContact O-N 3.03Å; L51-F53 VanDerWaalsContact O-N 3.07Å
54S55.6Low64.1Low97 Ų97120.8 Ų120.868%0.67866%0.66SS**  trans-74.9126171.4-118.40000109.5N52 S56 G57N52-S54 PolarHBondContact O-N 3.26Å; S54-S56 PolarHBondContact O-N 3.26Å; S54-G57 PolarHBondContact O-N 3.17Å
55F59.2Low64.4Low198 Ų198114.3 Ų114.387%0.86864%0.642SS**G310 helixtrans-56.5-17.3-173.3-145.1-94.5000114.3G57 A58F55-G57 VanDerWaalsContact C-N 3.27Å; F55-G57 PolarHBondContact O-N 2.79Å; F55-A58 PolarHBondContact O-N 2.88Å
56S60.2Low64.7Low112 Ų112117.6 Ų117.678%0.78365%0.652SS**G310 helixtrans-69.1-15.4-178.960.20000115S54S54-S56 PolarHBondContact O-N 3.26Å
57G57.2Low65.2Low42 Ų42118 Ų11843%0.43364%0.644SS.*G310 helixtrans-83.2-9.9179.300000115.2S54 F55 E59 S60S54-G57 PolarHBondContact O-N 3.17Å; F55-G57 VanDerWaalsContact C-N 3.27Å; F55-G57 PolarHBondContact O-N 2.79Å; G57-E59 PolarHBondContact O-N 3.01Å; G57-S60 PolarHBondContact O-N 3.43Å
58A61.3Low65.1Low56 Ų56120.8 Ų120.846%0.46365%0.648SS.*THydrogen-bonded Turntrans-66-31.3-169.700000114.1F55 S60 S61F55-A58 PolarHBondContact O-N 2.88Å; A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 2.73Å; A58-S61 CarbonylContact O-C 3.23Å; A58-S61 VanDerWaalsContact O-C 3.23Å; A58-S61 PolarHBondContact O-N 2.76Å
59E64.2Low65Low193 Ų193120.3 Ų120.390%0.90266%0.655SS**THydrogen-bonded Turntrans-67.8-31.5177.2-86.4-164.2152.300113.5G57 S61G57-E59 PolarHBondContact O-N 3.01Å; E59-S61 VanDerWaalsContact C-N 3.29Å
60S71Confident65.2Low110 Ų110122.3 Ų122.377%0.76967%0.669SS**THydrogen-bonded Turntrans-74.1-26.3178.4-1720000111.7G57 A58G57-S60 PolarHBondContact O-N 3.43Å; A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 2.73Å
61S70.2Confident65.2Low88 Ų88121 Ų12162%0.61567%0.669SS**SBendtrans-130.567.7-175-56.40000110.4A58 E59 S63A58-S61 CarbonylContact O-C 3.23Å; A58-S61 VanDerWaalsContact O-C 3.23Å; A58-S61 PolarHBondContact O-N 2.76Å; E59-S61 VanDerWaalsContact C-N 3.29Å; S61-S63 PolarHBondContact O-N 3.41Å
62P72.5Confident65Low44 Ų44121.8 Ų121.829%0.28668%0.681SS.*  trans-60.3142.8-179.225.6-33.5000110E66P62-E66 HydrophobicContact CB-CB 3.91Å
63S68.5Low65.1Low53 Ų53120.4 Ų120.437%0.37168%0.682SS.*  trans-62.5156.3178.566.20000110.5S61 A65 E66 Y67S61-S63 PolarHBondContact O-N 3.41Å; S63-A65 PolarHBondContact O-N 3.49Å; S63-E66 PolarHBondContact N-OE2 2.78Å; S63-E66 PolarHBondContact O-N 2.95Å; S63-E66 PolarHBondContact OG-OE2 3.46Å; S63-Y67 WeakPolarHBondContact O-CD2 3.4Å
64P74.1Confident65.2Low122 Ų122120.3 Ų120.379%0.79268%0.684SS**THydrogen-bonded Turntrans-52-24.2178-29.436.2000114.9
65A69.8Low65.4Low73 Ų73125.5 Ų125.560%0.60369%0.694SS**THydrogen-bonded Turntrans-78.7-15.7178.200000114.1S63 F68S63-A65 PolarHBondContact O-N 3.49Å; A65-F68 WeakPolarHBondContact O-CE2 3.36Å; A65-F68 WeakPolarHBondContact O-CZ 3.12Å
66E72.5Confident65.5Low119 Ų119120 Ų12056%0.55668%0.677SS**SBendtrans-94.9-3.6-176.5-76.1163150.400113.5P62 S63 F68P62-E66 HydrophobicContact CB-CB 3.91Å; S63-E66 PolarHBondContact N-OE2 2.78Å; S63-E66 PolarHBondContact O-N 2.95Å; S63-E66 PolarHBondContact OG-OE2 3.46Å; E66-F68 PolarHBondContact O-N 3.47Å
67Y71.5Confident65.5Low157 Ų157123.4 Ų123.462%0.61668%0.677SS**  trans-74.268.3171.7-64.2-91.5000111.1S63 P69S63-Y67 WeakPolarHBondContact O-CD2 3.4Å; Y67-P69 WeakPolarHBondContact O-CD 3.33Å
68F65.8Low65.2Low168 Ų168124.6 Ų124.674%0.73769%0.69SS**  trans-86.9106.7168.5-67.9-73.7000109.4A65 E66 K70A65-F68 WeakPolarHBondContact O-CE2 3.36Å; A65-F68 WeakPolarHBondContact O-CZ 3.12Å; E66-F68 PolarHBondContact O-N 3.47Å; F68-K70 PolarHBondContact O-N 3.46Å
69P64.7Low65.1Low116 Ų116129 Ų12975%0.75372%0.716SS**  trans-66.3121.7177.426.9-32.9000109.6Y67 L71Y67-P69 WeakPolarHBondContact O-CD 3.33Å; P69-L71 PolarHBondContact O-N 2.88Å; P69-L71 VanDerWaalsContact O-N 3.1Å
70K67.1Low64.7Low207 Ų207123 Ų12390%0.970%0.695SS**SBendtrans-67.7-5.6-176.6-64.5-177.1180178.50114.6F68F68-K70 PolarHBondContact O-N 3.46Å
71L63Low64.3Low152 Ų152123 Ų12380%0.79670%0.696SS**SBendtrans-108.8122.6-174.5-66.9169.9000111.1P69 S73P69-L71 PolarHBondContact O-N 2.88Å; P69-L71 VanDerWaalsContact O-N 3.1Å; L71-S73 PolarHBondContact O-N 3.05Å
72P58Low63.8Low126 Ų126125.5 Ų125.582%0.81870%0.7SS**PPolyproline II helixtrans-67.1125.9177.124.4-29.4000110.4
73S60.1Low63.6Low110 Ų110126.8 Ų126.877%0.76972%0.715SS**PPolyproline II helixtrans-67.9137.9-178.862.50000111.8L71 K75L71-S73 PolarHBondContact O-N 3.05Å; S73-K75 PolarHBondContact O-N 3.3Å
74E61.8Low63.8Low184 Ų184130.4 Ų130.486%0.8673%0.73SS**PPolyproline II helixtrans-58.8124.4174.7-142.4174-166.100109.1V76E74-V76 PolarHBondContact O-N 3.21Å
75K60.9Low63.8Low205 Ų205134 Ų13489%0.89173%0.733SS**  trans-61.7104.4-171.6-72.5-179.6179.9178.80110.6S73 K77S73-K75 PolarHBondContact O-N 3.3Å; K75-K77 PolarHBondContact O-N 2.95Å; K75-K77 VanDerWaalsContact O-N 3.17Å
76V60Low64.2Low82 Ų82133.9 Ų133.950%0.49773%0.732SS.*PPolyproline II helixtrans-61.5116.7170.7-174.80000108.3E74 G78 I82E74-V76 PolarHBondContact O-N 3.21Å; V76-G78 PolarHBondContact O-N 3.04Å; V76-I82 HydrophobicContact CG1-CG1 4.25Å; V76-I82 HydrophobicContact CG2-CD1 3.65Å; V76-I82 HydrophobicContact CG2-CG1 3.95Å
77K61.8Low64.5Low184 Ų184136.1 Ų136.180%0.874%0.74SS**PPolyproline II helixtrans-63.3124.2175.9-159.7163.9-178.1177.70107.9K75 C79 S80K75-K77 PolarHBondContact O-N 2.95Å; K75-K77 VanDerWaalsContact O-N 3.17Å; K77-C79 PolarHBondContact O-N 3.26Å; K77-S80 PolarHBondContact O-N 2.85Å; K77-S80 PolarHBondContact O-OG 3.11Å; K77-S80 VanDerWaalsContact O-OG 3.07Å
78G49.8Very low65Low68 Ų68139.1 Ų139.170%0.70175%0.75SS**THydrogen-bonded Turntrans-50.6137.9-173.200000112.5V76V76-G78 PolarHBondContact O-N 3.04Å
79C58.9Low65.8Low147 Ų147138.6 Ų138.699%0.99375%0.748SS**THydrogen-bonded Turntrans771.6-179.3-53.80000118K77K77-C79 PolarHBondContact O-N 3.26Å
80S57Low66.3Low68 Ų68138.4 Ų138.448%0.47675%0.746SS.*  trans-93.7114.6161.362.80000109.6K77 I82K77-S80 PolarHBondContact O-N 2.85Å; K77-S80 PolarHBondContact O-OG 3.11Å; K77-S80 VanDerWaalsContact O-OG 3.07Å; S80-I82 PolarHBondContact O-N 3.49Å
81S61.4Low66.8Low111 Ų111132.3 Ų132.378%0.77673%0.73SS**  trans-53136.7166.8-63.80000108.7A83S81-A83 PolarHBondContact O-N 3.08Å
82I60.8Low67.5Low139 Ų139133.7 Ų133.771%0.71373%0.73SS**  trans-61.585.4163.5-74.6158.4000106.2V76 S80 N84V76-I82 HydrophobicContact CG1-CG1 4.25Å; V76-I82 HydrophobicContact CG2-CD1 3.65Å; V76-I82 HydrophobicContact CG2-CG1 3.95Å; S80-I82 PolarHBondContact O-N 3.49Å; I82-N84 VanDerWaalsContact C-N 3.31Å; I82-N84 PolarHBondContact O-N 3.01Å; I82-N84 VanDerWaalsContact O-N 3.09Å
83A68.3Low68.2Low71 Ų71134.8 Ų134.859%0.58772%0.724SS**  trans-78.192.8170.700000104.9S81 K85S81-A83 PolarHBondContact O-N 3.08Å; A83-K85 VanDerWaalsContact C-N 3.32Å; A83-K85 PolarHBondContact O-N 3.5Å
84N72.2Confident69Low130 Ų130133.1 Ų133.170%0.69571%0.712SS**  trans-61.8100.4169.6-173.9-12.8000107.5I82 A86I82-N84 VanDerWaalsContact C-N 3.31Å; I82-N84 PolarHBondContact O-N 3.01Å; I82-N84 VanDerWaalsContact O-N 3.09Å; N84-A86 PolarHBondContact O-N 2.64Å; N84-A86 WeakPolarHBondContact OD1-CB 3.46Å; N84-A86 PolarHBondContact OD1-N 3.37Å
85K75.3Confident69.5Low198 Ų198132.6 Ų132.686%0.86172%0.715SS**  trans-81.63.4177.7-67.6-174.4179.9-178.70112.4A83 K87A83-K85 VanDerWaalsContact C-N 3.32Å; A83-K85 PolarHBondContact O-N 3.5Å; K85-K87 PolarHBondContact O-N 2.98Å
86A77.6Confident70.1Confident70 Ų70124.7 Ų124.758%0.57969%0.692SS**SBendtrans-64.3136.1176.200000109.8N84 R88N84-A86 PolarHBondContact O-N 2.64Å; N84-A86 WeakPolarHBondContact OD1-CB 3.46Å; N84-A86 PolarHBondContact OD1-N 3.37Å; A86-R88 PolarHBondContact O-N 3.49Å; A86-R88 VanDerWaalsContact O-N 3.15Å
87K78.6Confident70.7Confident165 Ų165123.6 Ų123.672%0.71769%0.687SS**  trans-57.2123.2172.6-70.8-178.2179.1177.60107.9K85 F89K85-K87 PolarHBondContact O-N 2.98Å; K87-F89 PolarHBondContact O-N 3.08Å
88R82.2Confident71.2Confident220 Ų220116.4 Ų116.483%0.8367%0.665SS**SBendtrans-51.2-31.6178177.3-178.2-89.1-96.72.2112.2A86A86-R88 PolarHBondContact O-N 3.49Å; A86-R88 VanDerWaalsContact O-N 3.15Å
89F81.4Confident72Confident157 Ų157119.6 Ų119.669%0.68967%0.673SS**SBendtrans-128.4121173.9-53.3-72.2000108.8K87K87-F89 PolarHBondContact O-N 3.08Å
90P76.1Confident72.4Confident112 Ų112120.8 Ų120.873%0.72766%0.664SS**  trans-63.2138.7166.227.1-31.2000108.5F92P90-F92 PolarHBondContact O-N 2.98Å
91S77.8Confident72.9Confident79 Ų79121.9 Ų121.955%0.55267%0.668SS**  trans-66.5100170.5440000108H93S91-H93 PolarHBondContact O-N 3.34Å
92F78.3Confident73Confident182 Ų182124 Ų12480%0.79866%0.66SS**  trans-74.9103.2172.6-170.7-95.5000107.9P90P90-F92 PolarHBondContact O-N 2.98Å
93H72.2Confident73.1Confident149 Ų149123.2 Ų123.269%0.6966%0.657SS**  trans-83.5114.1161.7-62.6-77000105.7S91 D95S91-H93 PolarHBondContact O-N 3.34Å; H93-D95 PolarHBondContact O-N 3.09Å
94S75.9Confident72.3Confident75 Ų75126.6 Ų126.652%0.52466%0.664SS.*  trans-68.3116.617159.10000107.7G96S94-G96 PolarHBondContact O-N 3.28Å; S94-G96 VanDerWaalsContact O-N 3.11Å; S94-G96 VanDerWaalsContact O-O 3.13Å
95D72.4Confident71.1Confident173 Ų173126.4 Ų126.493%0.92567%0.667SS**SBendtrans-66.9-2.5168.8-73.3-29.9000112.3H93H93-D95 PolarHBondContact O-N 3.09Å
96G73.5Confident69.8Low39 Ų39120.2 Ų120.240%0.40265%0.649SS.*SBendtrans-73.1137.3167.700000110.5S94 G98S94-G96 PolarHBondContact O-N 3.28Å; S94-G96 VanDerWaalsContact O-N 3.11Å; S94-G96 VanDerWaalsContact O-O 3.13Å; G96-G98 PolarHBondContact O-N 3.3Å
97P73.9Confident68.2Low59 Ų59126.1 Ų126.138%0.38366%0.661SS.*PPolyproline II helixtrans-62.3140.8178.233.1-38.5000108.9T101 Y102P97-T101 HydrophobicContact CB-CG2 3.61Å; P97-T101 WeakPolarHBondContact CB-OG1 3.07Å; P97-T101 HydrophobicContact CG-CG2 4.42Å; P97-Y102 VanDerWaalsContact CD-OH 3.22Å; P97-Y102 WeakPolarHBondContact CD-OH 3.37Å; P97-Y102 HydrophobicContact CG-CD2 4.37Å; P97-Y102 HydrophobicContact CG-CE1 3.97Å; P97-Y102 HydrophobicContact CG-CE2 3.47Å; P97-Y102 VanDerWaalsContact CG-CE2 3.47Å; P97-Y102 WeakPolarHBondContact CG-OH 3.01Å
98G72.3Confident66.1Low33 Ų33127.5 Ų127.534%0.3466%0.662SS.*PPolyproline II helixtrans-55.3159.2-174.400000111.8G96 E100 T101G96-G98 PolarHBondContact O-N 3.3Å; G98-E100 PolarHBondContact O-N 2.75Å; G98-T101 PolarHBondContact N-OG1 2.74Å; G98-T101 VanDerWaalsContact N-OG1 3.17Å; G98-T101 VanDerWaalsContact O-CB 3.3Å; G98-T101 WeakPolarHBondContact O-CB 3.45Å; G98-T101 PolarHBondContact O-N 2.85Å; G98-T101 PolarHBondContact O-OG1 2.79Å
99P65.1Low64Low134 Ų134119 Ų11987%0.8764%0.639SS**THydrogen-bonded Turntrans-54.4-22.1-176.922-33.6000113.9T101P99-T101 VanDerWaalsContact C-N 3.29Å; P99-T101 PolarHBondContact O-N 3.36Å
100E67.9Low62Low172 Ų172116.4 Ų116.480%0.80464%0.636SS**THydrogen-bonded Turntrans-70.7-16.6174-151.391.2-147.400114.3G98G98-E100 PolarHBondContact O-N 2.75Å
101T68.7Low60.1Low91 Ų91121.1 Ų121.156%0.55864%0.639SS**SBendtrans-87-21.5-166.2-37.80000113.3P97 G98 P99P97-T101 HydrophobicContact CB-CG2 3.61Å; P97-T101 WeakPolarHBondContact CB-OG1 3.07Å; P97-T101 HydrophobicContact CG-CG2 4.42Å; G98-T101 PolarHBondContact N-OG1 2.74Å; G98-T101 VanDerWaalsContact N-OG1 3.17Å; G98-T101 VanDerWaalsContact O-CB 3.3Å; G98-T101 WeakPolarHBondContact O-CB 3.45Å; G98-T101 PolarHBondContact O-N 2.85Å; G98-T101 PolarHBondContact O-OG1 2.79Å; P99-T101 VanDerWaalsContact C-N 3.29Å; P99-T101 PolarHBondContact O-N 3.36Å
102Y62.5Low58.3Low156 Ų156126.8 Ų126.861%0.61265%0.654SS**  trans-96.697.4179.4-61.7-71.6000110.9P97 I104P97-Y102 VanDerWaalsContact CD-OH 3.22Å; P97-Y102 WeakPolarHBondContact CD-OH 3.37Å; P97-Y102 HydrophobicContact CG-CD2 4.37Å; P97-Y102 HydrophobicContact CG-CE1 3.97Å; P97-Y102 HydrophobicContact CG-CE2 3.47Å; P97-Y102 VanDerWaalsContact CG-CE2 3.47Å; P97-Y102 WeakPolarHBondContact CG-OH 3.01Å; Y102-I104 PolarHBondContact O-N 2.87Å
103N62.5Low56.4Low122 Ų122122.7 Ų122.765%0.65265%0.653SS**  trans-76.8101.2167.7-172.4-1.6000109.7V105N103-V105 PolarHBondContact O-N 2.71Å
104I52.4Low54.9Low142 Ų142122.3 Ų122.373%0.72866%0.657SS**  trans-81.698.2177.9-36.1172.5000108.8Y102 S106Y102-I104 PolarHBondContact O-N 2.87Å; I104-S106 PolarHBondContact O-N 3.29Å; I104-S106 VanDerWaalsContact O-N 3.15Å
105V46.6Very low53.7Low127 Ų127124.2 Ų124.277%0.7767%0.667SS**  trans-7897.1176.1-173.40000109.3N103N103-V105 PolarHBondContact O-N 2.71Å
106S47.5Very low51.7Low67 Ų67124.5 Ų124.547%0.46966%0.662SS.*  trans-92.3137172-177.60000111.7I104 W108I104-S106 PolarHBondContact O-N 3.29Å; I104-S106 VanDerWaalsContact O-N 3.15Å; S106-W108 VanDerWaalsContact C-N 3.26Å; S106-W108 PolarHBondContact O-N 3.47Å
107K44.3Very low49.9Very low194 Ų194127.2 Ų127.284%0.84368%0.675SS**THydrogen-bonded Turntrans-74.6-6.3-170.6-16.4-177.4-174-1760114.7
108W34.2Very low48Very low194 Ų194129.9 Ų129.974%0.73569%0.692SS**THydrogen-bonded Turntrans-110.36.7-165.2-68.399.7000114.6S106 V110S106-W108 VanDerWaalsContact C-N 3.26Å; S106-W108 PolarHBondContact O-N 3.47Å; W108-V110 PolarHBondContact O-N 3.41Å
109A38.4Very low46.1Very low41 Ų41139.9 Ų139.934%0.33972%0.72SS.*  trans-87.188174.300000110.7E142A109-E142 WeakPolarHBondContact CA-OE2 3.46Å; A109-E142 HydrophobicContact CB-CB 4.3Å; A109-E142 HydrophobicContact CB-CG 4.36Å
110V39.3Very low44.5Very low103 Ų103141.6 Ų141.662%0.62472%0.721SS**  trans-121.3101176.8-179.60000109.3W108 K112 E142W108-V110 PolarHBondContact O-N 3.41Å; V110-K112 PolarHBondContact O-N 3.41Å; V110-K112 VanDerWaalsContact O-N 3.11Å; V110-E142 VanDerWaalsContact C-OE1 3.3Å; V110-E142 PolarHBondContact N-OE2 3.43Å; V110-E142 VanDerWaalsContact O-OE1 3.09Å
111R37Very low42.9Very low211 Ų211138.4 Ų138.480%0.79672%0.718SS**PPolyproline II helixtrans-48.6117.4171.7-64-175.5-175.1-167.3-0.6111E142R111-E142 PolarHBondContact N-OE1 3.2Å
112K39.6Very low41.9Very low198 Ų198142.9 Ų142.986%0.86173%0.732SS**PPolyproline II helixtrans-87.5131.9153.1-77-87.9-177169.90108.3V110V110-K112 PolarHBondContact O-N 3.41Å; V110-K112 VanDerWaalsContact O-N 3.11Å
113A38.4Very low40.6Very low96 Ų96144.7 Ų144.779%0.79374%0.743SS**PPolyproline II helixtrans-70.9133.1-17700000111.7
114D39.7Very low39.1Very low142 Ų142147.7 Ų147.776%0.75976%0.756SS**PPolyproline II helixtrans-61.9134173.9-94.7-41.3000112H116D114-H116 VanDerWaalsContact C-N 3.28Å; D114-H116 PolarHBondContact O-N 3.16Å
115P51Low38.2Very low114 Ų114149.9 Ų149.974%0.7476%0.76SS**THydrogen-bonded Turntrans-72.2-6.2178.1-19.532.2000116.3
116H31.3Very low37.4Very low179 Ų179150.9 Ų150.983%0.82976%0.761SS**THydrogen-bonded Turntrans-117.924.3-173.2-71.7-63.1000115.5D114D114-H116 VanDerWaalsContact C-N 3.28Å; D114-H116 PolarHBondContact O-N 3.16Å
117S36Very low36.6Very low96 Ų96156.7 Ų156.767%0.67178%0.781SS**  trans-109.1109.2164.5-135.60000110.5R119S117-R119 PolarHBondContact O-N 3.1Å
118P33.7Very low36Very low115 Ų115152.6 Ų152.675%0.74778%0.776SS**  trans-58.7126.9160.7-15.128.8000108.1L120P118-L120 PolarHBondContact O-N 3.15Å
119R32Very low35.8Very low243 Ų243148.5 Ų148.592%0.91778%0.784SS**  trans-43.2122.6180-64.3175.7175.3169.2-2.3111.1S117 S121S117-R119 PolarHBondContact O-N 3.1Å; R119-S121 PolarHBondContact O-N 3.02Å
120L31.5Very low35.6Very low170 Ų170152 Ų15289%0.8981%0.806SS**  trans-58.7121.8166.1-76.9174.1000108.7P118P118-L120 PolarHBondContact O-N 3.15Å
121S34.4Very low35.2Very low105 Ų105155.6 Ų155.673%0.73482%0.816SS**  trans-64.2132.8169.559.80000110.1R119 K123R119-S121 PolarHBondContact O-N 3.02Å; S121-K123 PolarHBondContact O-N 3.24Å
122E47.4Very low35Very low185 Ų185154.4 Ų154.486%0.86482%0.82SS**THydrogen-bonded Turntrans-64.117.9-169.5-159165.4-170.200116.7
123K35.5Very low34.9Very low194 Ų194152.8 Ų152.884%0.84382%0.82SS**THydrogen-bonded Turntrans-112.24.9-166.8-81.5-170174.6-177.30118.3S121S121-K123 PolarHBondContact O-N 3.24Å
124M31.9Very low34.6Very low186 Ų186160.2 Ų160.292%0.91683%0.828SS**SBendtrans-146.491.5169.6-73174.9152.700107.3
125K32.1Very low34.3Very low188 Ų188157.1 Ų157.182%0.81783%0.829SS**SBend-172.142.189.1-157.1172.9-178.1175.50111.1Q127K125-Q127 VanDerWaalsContact C-N 3.28Å; K125-Q127 PolarHBondContact O-N 3.41Å
126N31.4Very low33.5Very low148 Ų148161 Ų16179%0.79184%0.835SS**  trans-85.974.8159.6-71-16.9000107.7
127Q30.7Very low33.8Very low189 Ų189163.4 Ų163.488%0.88384%0.836SS**  trans-172.972.5165-106.4166.274.100110.3K125K125-Q127 VanDerWaalsContact C-N 3.28Å; K125-Q127 PolarHBondContact O-N 3.41Å
128S30.8Very low33.9Very low107 Ų107166.8 Ų166.875%0.74885%0.846SS**  trans-166.875.1140.560.80000106S130S128-S130 PolarHBondContact O-N 3.16Å
129A30Very low34Very low109 Ų109165.9 Ų165.990%0.90184%0.838SS**  trans-76.3106.8164.300000107.2
130S34Very low34.3Very low114 Ų114157.9 Ų157.980%0.79782%0.82SS**  trans-147.6136151.162.10000107.4S128S128-S130 PolarHBondContact O-N 3.16Å
131E31.7Very low34.8Very low179 Ų179158 Ų15884%0.83681%0.81SS**  trans-80.8168.9-153.9-57.7177.3128.400114.2
132Q31.7Very low35.2Very low186 Ų186157.4 Ų157.487%0.86980%0.796SS**  trans75.787.8164.3-58.2-178-15.700117.5
133D37.1Very low35.1Very low164 Ų164155.2 Ų155.288%0.87779%0.788SS**  -174.4126.3103.6-165.413.3000110G135D133-G135 PolarHBondContact O-N 3.16Å
134R33Very low35.5Very low251 Ų251152.7 Ų152.795%0.94778%0.783SS**  trans-91.294.5-167.4-72.6-177.1176.1-177.30.4110.3
135G33.1Very low36.2Very low77 Ų77148 Ų14879%0.79477%0.766SS**  trans-134.933.816800000113.1D133D133-G135 PolarHBondContact O-N 3.16Å
136K33.9Very low36.9Very low196 Ų196144.7 Ų144.785%0.85276%0.757SS**  trans-125111.8-179.5-81.7176.3-179.7168.70110.6
137R37.5Very low37.7Very low229 Ų229141.8 Ų141.886%0.86475%0.745SS**  165.985.8125.2-93.5174173.9-177.8-0.8107.9T139R137-T139 VanDerWaalsContact C-N 3.27Å; R137-T139 PolarHBondContact O-N 3.19Å
138L38.8Very low38.5Very low168 Ų168141.9 Ų141.988%0.8874%0.737SS**  trans-70.994.4161.6-67.4173.1000106.7S140L138-S140 PolarHBondContact O-N 3.26Å; L138-S140 VanDerWaalsContact O-N 3.09Å
139T35.6Very low39.6Very low95 Ų95143.7 Ų143.758%0.58373%0.732SS**  trans-66.4104.5172.642.70000108.3R137 Y141R137-T139 VanDerWaalsContact C-N 3.27Å; R137-T139 PolarHBondContact O-N 3.19Å; T139-Y141 PolarHBondContact O-N 3.33Å
140S39.2Very low40.9Very low76 Ų76149.9 Ų149.953%0.53173%0.732SS.*  trans-40.5115.8166.554.30000111.9L138L138-S140 PolarHBondContact O-N 3.26Å; L138-S140 VanDerWaalsContact O-N 3.09Å
141Y41.8Very low42.7Very low171 Ų171151.8 Ų151.867%0.67173%0.733SS**  trans-88.4136.1161.645.9-88.8000109.6T139 I143T139-Y141 PolarHBondContact O-N 3.33Å; Y141-I143 PolarHBondContact O-N 3Å
142E42.6Very low44.9Very low94 Ų94145.2 Ų145.244%0.43971%0.705SS.*  trans-72.3117.3173.8-77174.9154.800109.6A109 V110 R111 I144A109-E142 WeakPolarHBondContact CA-OE2 3.46Å; A109-E142 HydrophobicContact CB-CB 4.3Å; A109-E142 HydrophobicContact CB-CG 4.36Å; V110-E142 VanDerWaalsContact C-OE1 3.3Å; V110-E142 PolarHBondContact N-OE2 3.43Å; V110-E142 VanDerWaalsContact O-OE1 3.09Å; R111-E142 PolarHBondContact N-OE1 3.2Å; E142-I144 PolarHBondContact O-N 3.31Å
143I43.9Very low47.2Very low138 Ų138139.5 Ų139.571%0.70868%0.684SS**  trans-67.2114.7165.4-64.4162.1000105.6Y141 P145Y141-I143 PolarHBondContact O-N 3Å; I143-P145 WeakPolarHBondContact O-CD 3.14Å; I143-P145 VanDerWaalsContact O-N 3.12Å
144I44.9Very low49.2Very low142 Ų142137.5 Ų137.573%0.72868%0.683SS**  trans-65.4110.9161.4-61.7173.1000104.5E142 D146E142-I144 PolarHBondContact O-N 3.31Å; I144-D146 PolarHBondContact O-N 3.04Å
145P47Very low51.6Low88 Ų88131.7 Ų131.757%0.57167%0.669SS**  trans-67.7113.5-18027.9-29.2000106.1I143 V147I143-P145 WeakPolarHBondContact O-CD 3.14Å; I143-P145 VanDerWaalsContact O-N 3.12Å; P145-V147 HydrophobicContact CB-CG2 3.89Å; P145-V147 HydrophobicContact CG-CG2 3.95Å; P145-V147 PolarHBondContact O-N 3.04Å
146D46.8Very low54Low117 Ų117130.3 Ų130.363%0.62665%0.646SS**  trans-59.286.3152.6179.526.9000105.5I144 R148I144-D146 PolarHBondContact O-N 3.04Å; D146-R148 PolarHBondContact O-N 3.41Å; D146-R148 WeakPolarHBondContact OD2-CG 3.41Å; D146-R148 IonicContact OD2-CZ 3.21Å; D146-R148 IonicContact OD2-NE 2.64Å; D146-R148 PolarHBondContact OD2-NE 3.34Å
147V47.6Very low56.4Low88 Ų88124.7 Ų124.753%0.53363%0.632SS.*  trans-72.767.6169.4-170.70000105.3P145 F149P145-V147 HydrophobicContact CB-CG2 3.89Å; P145-V147 HydrophobicContact CG-CG2 3.95Å; P145-V147 PolarHBondContact O-N 3.04Å; V147-F149 HydrophobicContact CG1-CD1 4.27Å; V147-F149 HydrophobicContact CG1-CE1 4.33Å; V147-F149 HydrophobicContact CG1-CG 4.37Å; V147-F149 PolarHBondContact O-N 3Å
148R47.6Very low58.7Low191 Ų191116.6 Ų116.672%0.72162%0.619SS**  trans-56.199.2140.6-69.3-173.7-66.6-163.20.2103D146 R150D146-R148 PolarHBondContact O-N 3.41Å; D146-R148 WeakPolarHBondContact OD2-CG 3.41Å; D146-R148 IonicContact OD2-CZ 3.21Å; D146-R148 IonicContact OD2-NE 2.64Å; D146-R148 PolarHBondContact OD2-NE 3.34Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.3Å
149F54.4Low60.6Low145 Ų145115.7 Ų115.764%0.63662%0.615SS**  trans-40.9112.8163.4-70.6-83000104.3V147 D151V147-F149 HydrophobicContact CG1-CD1 4.27Å; V147-F149 HydrophobicContact CG1-CE1 4.33Å; V147-F149 HydrophobicContact CG1-CG 4.37Å; V147-F149 PolarHBondContact O-N 3Å; F149-D151 PolarHBondContact O-N 3.48Å
150R57.1Low63Low239 Ų239116.2 Ų116.290%0.90261%0.608SS**  trans-66.194.9-171.9-75.6-175.9172.8179.7-2105.1R148 V152R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.3Å; R150-V152 PolarHBondContact O-N 3.45Å; R150-V152 VanDerWaalsContact O-N 3.08Å
151D70.6Confident65.3Low154 Ų154117.1 Ų117.182%0.82461%0.609SS**PPolyproline II helixtrans-50.4121.8161.3-75.9-22.6000105F149F149-D151 PolarHBondContact O-N 3.48Å
152V78.3Confident67.5Low41 Ų41113.3 Ų113.325%0.24860%0.598CS.*PPolyproline II helixtrans-46.4134.8-179.2162.40000109.1R150 S154 Y164 L172R150-V152 PolarHBondContact O-N 3.45Å; R150-V152 VanDerWaalsContact O-N 3.08Å; V152-S154 PolarHBondContact O-N 3.42Å; V152-Y164 HydrophobicContact CB-CD1 4.3Å; V152-Y164 HydrophobicContact CB-CD2 4.42Å; V152-Y164 HydrophobicContact CB-CE1 4.21Å; V152-Y164 HydrophobicContact CB-CE2 4.33Å; V152-Y164 HydrophobicContact CB-CG 4.41Å; V152-Y164 HydrophobicContact CG1-CD1 3.88Å; V152-Y164 HydrophobicContact CG1-CD2 3.25Å; V152-Y164 HydrophobicContact CG1-CE1 3.73Å; V152-Y164 HydrophobicContact CG1-CE2 3.08Å; V152-Y164 HydrophobicContact CG1-CG 3.66Å; V152-Y164 HydrophobicContact CG2-CD1 3.45Å; V152-Y164 VanDerWaalsContact CG2-CD1 3.45Å; V152-Y164 HydrophobicContact CG2-CD2 4.39Å; V152-Y164 HydrophobicContact CG2-CE1 3.5Å; V152-Y164 HydrophobicContact CG2-CE2 4.43Å; V152-Y164 HydrophobicContact CG2-CG 3.92Å; V152-L172 HydrophobicContact CB-CD1 4.18Å; V152-L172 HydrophobicContact CG2-CB 3.74Å; V152-L172 HydrophobicContact CG2-CD1 4.07Å
153P79.8Confident69.7Low66 Ų66109.7 Ų109.743%0.42959%0.586SS.*PPolyproline II helixtrans-55.3134.217824.6-35.4000109.8I155P153-I155 PolarHBondContact O-N 2.88Å
154S80.5Confident71.9Confident121 Ų121105.6 Ų105.685%0.84656%0.562SS**SBendtrans-57.5-22.9-179.763.10000113.4V152V152-S154 PolarHBondContact O-N 3.42Å
155I82.7Confident74Confident129 Ų129105 Ų10566%0.66256%0.556SS**SBendtrans-117.2109.8172.4-55.7174.9000107.7P153 S157P153-I155 PolarHBondContact O-N 2.88Å; I155-S157 PolarHBondContact O-N 3.2Å
156P83.5Confident75.9Confident48 Ų48107.3 Ų107.331%0.31256%0.559SS.*  trans-63.8135.7174.7-13.826.1000110.5Y160 Y164P156-Y160 WeakPolarHBondContact CB-O 3.29Å; P156-Y164 HydrophobicContact CB-CE2 4.14Å; P156-Y164 HydrophobicContact CG-CE2 4.34Å
157S83.9Confident77.8Confident79 Ų79102.9 Ų102.955%0.55254%0.541SS*.  trans-138.5151.5-179.258.10000111.4I155 Y160I155-S157 PolarHBondContact O-N 3.2Å; S157-Y160 WeakPolarHBondContact O-CD2 3.47Å; S157-Y160 PolarHBondContact O-N 3.45Å
158G85.5Confident79.7Confident59 Ų59107.6 Ų107.661%0.60856%0.562SS**G310 helixtrans67.1-128.7-178.400000112.9Y160 V161G158-Y160 PolarHBondContact O-N 3.44Å; G158-Y160 VanDerWaalsContact O-N 3.17Å; G158-V161 WeakPolarHBondContact O-CG2 3.39Å; G158-V161 PolarHBondContact O-N 3.39Å
159D80.2Confident81.5Confident148 Ų148105 Ų10579%0.79156%0.562SS**G310 helixtrans-66.8-15.3-178.8-58.1-27.9000113.2
160Y85.6Confident82.9Confident107 Ų107100 Ų10042%0.4255%0.551SS.*G310 helixtrans-90.43.8-179.9-52-65.6000113.8P156 S157 G158 H162 G163 Y164 P174P156-Y160 WeakPolarHBondContact CB-O 3.29Å; S157-Y160 WeakPolarHBondContact O-CD2 3.47Å; S157-Y160 PolarHBondContact O-N 3.45Å; G158-Y160 PolarHBondContact O-N 3.44Å; G158-Y160 VanDerWaalsContact O-N 3.17Å; Y160-H162 PolarHBondContact O-N 3Å; Y160-G163 PolarHBondContact O-N 2.97Å; Y160-Y164 WeakPolarHBondContact CB-OH 3.39Å; Y160-Y164 HydrophobicContact CD1-CE1 4.18Å; Y160-Y164 AromaticContact CD1-CZ 3.98Å; Y160-Y164 AromaticContact CG-CZ 3.94Å; Y160-Y164 VanDerWaalsContact CG-OH 3.26Å; Y160-P174 HydrophobicContact CD1-CB 3.44Å; Y160-P174 VanDerWaalsContact CD1-CB 3.44Å; Y160-P174 HydrophobicContact CD1-CG 4.31Å; Y160-P174 HydrophobicContact CE1-CB 3.66Å; Y160-P174 HydrophobicContact CE1-CG 4.01Å
161V86.9Confident84.2Confident94 Ų9495.5 Ų95.557%0.5753%0.534SS*.THydrogen-bonded Turntrans-55-25.6-178.6166.80000112.8G158 G163G158-V161 WeakPolarHBondContact O-CG2 3.39Å; G158-V161 PolarHBondContact O-N 3.39Å; V161-G163 PolarHBondContact O-N 3.25Å
162H87.1Confident85Confident92 Ų9292.5 Ų92.543%0.42652%0.518SS..THydrogen-bonded Turntrans-75.1-3.3176.8-58.6-64.1000114.4Y160 Q175 G177Y160-H162 PolarHBondContact O-N 3Å; H162-Q175 PolarHBondContact O-OE1 3.16Å; H162-Q175 VanDerWaalsContact O-OE1 3.08Å; H162-G177 WeakPolarHBondContact CD2-CA 3.2Å; H162-G177 PolarHBondContact CD2-N 3.27Å; H162-G177 WeakPolarHBondContact NE2-CA 3.28Å
163G89.8Confident85.3Confident18 Ų1895.5 Ų95.519%0.18653%0.529CS..  trans91.3-164176.600000113.5Y160 V161 Q175Y160-G163 PolarHBondContact O-N 2.97Å; V161-G163 PolarHBondContact O-N 3.25Å; G163-Q175 PolarHBondContact O-N 3.29Å
164Y89.4Confident85.8Confident52 Ų5295.9 Ų95.920%0.20453%0.531CS..EExtended strand (participates in β ladder)trans-135.8142-175.9-62.1-104.2000109.9V152 P156 Y160 H173 P174V152-Y164 HydrophobicContact CB-CD1 4.3Å; V152-Y164 HydrophobicContact CB-CD2 4.42Å; V152-Y164 HydrophobicContact CB-CE1 4.21Å; V152-Y164 HydrophobicContact CB-CE2 4.33Å; V152-Y164 HydrophobicContact CB-CG 4.41Å; V152-Y164 HydrophobicContact CG1-CD1 3.88Å; V152-Y164 HydrophobicContact CG1-CD2 3.25Å; V152-Y164 HydrophobicContact CG1-CE1 3.73Å; V152-Y164 HydrophobicContact CG1-CE2 3.08Å; V152-Y164 HydrophobicContact CG1-CG 3.66Å; V152-Y164 HydrophobicContact CG2-CD1 3.45Å; V152-Y164 VanDerWaalsContact CG2-CD1 3.45Å; V152-Y164 HydrophobicContact CG2-CD2 4.39Å; V152-Y164 HydrophobicContact CG2-CE1 3.5Å; V152-Y164 HydrophobicContact CG2-CE2 4.43Å; V152-Y164 HydrophobicContact CG2-CG 3.92Å; P156-Y164 HydrophobicContact CB-CE2 4.14Å; P156-Y164 HydrophobicContact CG-CE2 4.34Å; Y160-Y164 WeakPolarHBondContact CB-OH 3.39Å; Y160-Y164 HydrophobicContact CD1-CE1 4.18Å; Y160-Y164 AromaticContact CD1-CZ 3.98Å; Y160-Y164 AromaticContact CG-CZ 3.94Å; Y160-Y164 VanDerWaalsContact CG-OH 3.26Å; Y164-H173 CarbonylContact C-O 3.59Å; Y164-H173 WeakPolarHBondContact CA-O 3.44Å; Y164-H173 WeakPolarHBondContact CB-O 3.47Å; Y164-P174 HydrophobicContact CD1-CB 4.04Å; Y164-P174 HydrophobicContact CE1-CB 3.93Å
165E89.2Confident86.1Confident130 Ų13094.8 Ų94.861%0.60751%0.513SS*.EExtended strand (participates in β ladder)trans-104.5136.4175.8-177.7174.5-169.800109.8G167 L172 H173E165-G167 PolarHBondContact O-N 2.97Å; E165-L172 CarbonylContact O-C 3.54Å; E165-L172 WeakPolarHBondContact O-CA 3.13Å; E165-H173 PolarHBondContact N-O 2.71Å; E165-H173 PolarHBondContact O-N 3.24Å
166E88.1Confident86.3Confident135 Ų13593.8 Ų93.863%0.63152%0.518SS*.EExtended strand (participates in β ladder)trans-78.8119.7176.7-165.9174.1-179.900110.3G170 L172E166-G170 WeakPolarHBondContact OE1-CA 3.39Å; E166-L172 HydrophobicContact CB-CD2 3.92Å; E166-L172 HydrophobicContact CG-CD2 4.27Å
167G86Confident86.3Confident24 Ų2492.8 Ų92.825%0.24752%0.516CS..  trans-75.3169.4172.700000112E165 D169 G170 R171E165-G167 PolarHBondContact O-N 2.97Å; G167-D169 PolarHBondContact O-N 3.37Å; G167-G170 PolarHBondContact O-N 3.26Å; G167-R171 PolarHBondContact N-O 3.45Å
168L86.5Confident86.3Confident187 Ų18793.5 Ų93.598%0.97952%0.518SS*.THydrogen-bonded Turntrans-55.8-26.8-178.2-63.6173.2000114.3G170L168-G170 VanDerWaalsContact C-N 3.27Å; L168-G170 PolarHBondContact O-N 2.98Å
169D87.2Confident86Confident137 Ų137101.2 Ų101.273%0.73354%0.535SS*.THydrogen-bonded Turntrans-855.9178-56.4-28.1000113.5G167 R171G167-D169 PolarHBondContact O-N 3.37Å; D169-R171 VanDerWaalsContact C-N 3.26Å; D169-R171 HydrophobicContact CB-CG 4.31Å; D169-R171 PolarHBondContact O-N 2.91Å
170G83.7Confident85.8Confident39 Ų39102.7 Ų102.740%0.40253%0.53SS..SBendtrans76.29-170.700000114.1E166 G167 L168E166-G170 WeakPolarHBondContact OE1-CA 3.39Å; G167-G170 PolarHBondContact O-N 3.26Å; L168-G170 VanDerWaalsContact C-N 3.27Å; L168-G170 PolarHBondContact O-N 2.98Å
171R84.5Confident85.4Confident145 Ų145101.9 Ų101.955%0.54753%0.532SS..  trans-87.8125.8-178.1-72-176.2173179.80.7111.5G167 D169 H173G167-R171 PolarHBondContact N-O 3.45Å; D169-R171 VanDerWaalsContact C-N 3.26Å; D169-R171 HydrophobicContact CB-CG 4.31Å; D169-R171 PolarHBondContact O-N 2.91Å; R171-H173 PolarHBondContact O-CE1 2.88Å; R171-H173 PolarHBondContact O-N 3.15Å; R171-H173 PolarHBondContact O-ND1 3.43Å
172L85.4Confident84.9Confident91 Ų91101.5 Ų101.548%0.47653%0.53SS..EExtended strand (participates in β ladder)trans-74.6117.3176.8-64179.5000111.7V152 E165 E166V152-L172 HydrophobicContact CB-CD1 4.18Å; V152-L172 HydrophobicContact CG2-CB 3.74Å; V152-L172 HydrophobicContact CG2-CD1 4.07Å; E165-L172 CarbonylContact O-C 3.54Å; E165-L172 WeakPolarHBondContact O-CA 3.13Å; E166-L172 HydrophobicContact CB-CD2 3.92Å; E166-L172 HydrophobicContact CG-CD2 4.27Å
173H86.5Confident84.6Confident105 Ų105101.3 Ų101.349%0.48654%0.536SS..EExtended strand (participates in β ladder)trans-104.5140.7174.5-65.181.2000110.1Y164 E165 R171 Q175Y164-H173 CarbonylContact C-O 3.59Å; Y164-H173 WeakPolarHBondContact CA-O 3.44Å; Y164-H173 WeakPolarHBondContact CB-O 3.47Å; E165-H173 PolarHBondContact N-O 2.71Å; E165-H173 PolarHBondContact O-N 3.24Å; R171-H173 PolarHBondContact O-CE1 2.88Å; R171-H173 PolarHBondContact O-N 3.15Å; R171-H173 PolarHBondContact O-ND1 3.43Å; H173-Q175 PolarHBondContact O-N 3.32Å
174P88.9Confident84Confident73 Ų73107.2 Ų107.247%0.47456%0.562SS.*EExtended strand (participates in β ladder)trans-66132.4-179.328-35.1000111.9Y160 Y164Y160-P174 HydrophobicContact CD1-CB 3.44Å; Y160-P174 VanDerWaalsContact CD1-CB 3.44Å; Y160-P174 HydrophobicContact CD1-CG 4.31Å; Y160-P174 HydrophobicContact CE1-CB 3.66Å; Y160-P174 HydrophobicContact CE1-CG 4.01Å; Y164-P174 HydrophobicContact CD1-CB 4.04Å; Y164-P174 HydrophobicContact CE1-CB 3.93Å
175Q88.3Confident83.4Confident99 Ų99105.5 Ų105.546%0.46356%0.56SS.*PPolyproline II helixtrans-79.3129178.1-169.5175.412.800110.1H162 G163 H173H162-Q175 PolarHBondContact O-OE1 3.16Å; H162-Q175 VanDerWaalsContact O-OE1 3.08Å; G163-Q175 PolarHBondContact O-N 3.29Å; H173-Q175 PolarHBondContact O-N 3.32Å
176S85.8Confident82.5Confident108 Ų108105.3 Ų105.376%0.75557%0.571SS**PPolyproline II helixtrans-71.3132.9172630000110.3
177G83.6Confident81.4Confident26 Ų26102.1 Ų102.127%0.26857%0.567SS.*PPolyproline II helixtrans-60.1160.9174.900000114.4H162 K179H162-G177 WeakPolarHBondContact CD2-CA 3.2Å; H162-G177 PolarHBondContact CD2-N 3.27Å; H162-G177 WeakPolarHBondContact NE2-CA 3.28Å; G177-K179 PolarHBondContact O-N 3.46Å
178P83.2Confident80.5Confident94 Ų94105.8 Ų105.861%0.6158%0.576SS**PPolyproline II helixtrans-60.7133.5173.627-33.4000110.3R180P178-R180 PolarHBondContact O-N 3.45Å
179K81.1Confident79.6Confident221 Ų221104.8 Ų104.896%0.96156%0.561SS**SBendtrans-61.2-26.7179.6-66.9-177.8-179.7178.20113.5G177G177-K179 PolarHBondContact O-N 3.46Å
180R75.4Confident78.3Confident180 Ų180100.7 Ų100.768%0.67955%0.551SS**SBendtrans-141.7138.1179.161.1-179.2177.799.8-0.3109.3P178 V182P178-R180 PolarHBondContact O-N 3.45Å; R180-V182 HydrophobicContact CG-CG2 4.17Å; R180-V182 PolarHBondContact O-N 3.02Å
181D77.3Confident77.2Confident89 Ų89104.5 Ų104.548%0.47657%0.569SS.*  trans-73.6118.5170.9-171.60.4000109T183D181-T183 VanDerWaalsContact CG-OG1 3.31Å; D181-T183 WeakPolarHBondContact OD1-CB 3.47Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.48Å; D181-T183 PolarHBondContact OD1-N 3.49Å; D181-T183 PolarHBondContact OD1-OG1 2.67Å; D181-T183 PolarHBondContact OD2-OG1 3.47Å
182V76.5Confident76.1Confident86 Ų86102.7 Ų102.752%0.52157%0.574SS.*  trans-100.9-3.7178.5-162.50000110.8R180R180-V182 HydrophobicContact CG-CG2 4.17Å; R180-V182 PolarHBondContact O-N 3.02Å
183T80.6Confident74.9Confident88 Ų88108 Ų10854%0.5459%0.593SS.*SBendtrans-66.7138.3178.366.80000109.6D181 G185 F188D181-T183 VanDerWaalsContact CG-OG1 3.31Å; D181-T183 WeakPolarHBondContact OD1-CB 3.47Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.48Å; D181-T183 PolarHBondContact OD1-N 3.49Å; D181-T183 PolarHBondContact OD1-OG1 2.67Å; D181-T183 PolarHBondContact OD2-OG1 3.47Å; T183-G185 PolarHBondContact O-N 3.46Å; T183-F188 VanDerWaalsContact O-CB 3.31Å; T183-F188 WeakPolarHBondContact O-CB 3.47Å
184L77.6Confident73.6Confident142 Ų142108.6 Ų108.674%0.74360%0.6SS**SBendtrans-70.273.1173.8-69.3171.4000109.6F188L184-F188 HydrophobicContact CD2-CD1 3.7Å; L184-F188 HydrophobicContact CD2-CD2 4.3Å; L184-F188 HydrophobicContact CD2-CE1 3.56Å; L184-F188 HydrophobicContact CD2-CE2 4.19Å; L184-F188 HydrophobicContact CD2-CG 4.08Å; L184-F188 HydrophobicContact CD2-CZ 3.83Å
185G76.4Confident72Confident16 Ų16110.3 Ų110.317%0.16561%0.611CS.*SBendtrans-122.6-179.4-18000000112.6T183 A187 F188 Y189T183-G185 PolarHBondContact O-N 3.46Å; G185-A187 PolarHBondContact O-N 2.92Å; G185-F188 VanDerWaalsContact O-CB 3.22Å; G185-F188 WeakPolarHBondContact O-CB 3.01Å; G185-F188 PolarHBondContact O-N 3.44Å; G185-Y189 WeakPolarHBondContact O-CD2 3.49Å
186P69.4Low70.6Confident127 Ų127111.9 Ų111.983%0.82563%0.627SS**THydrogen-bonded Turntrans-53.4-29177.9-24.132.6000113.8
187A65.6Low69.3Low68 Ų68115.4 Ų115.456%0.56263%0.629SS**THydrogen-bonded Turntrans-76.4-23.1176.100000113.9G185G185-A187 PolarHBondContact O-N 2.92Å
188F67.7Low68Low100 Ų100120.7 Ų120.744%0.43966%0.656SS.*THydrogen-bonded Turntrans-69.6-38.1178.6-173.4-94.5000112.2T183 L184 G185 G190T183-F188 VanDerWaalsContact O-CB 3.31Å; T183-F188 WeakPolarHBondContact O-CB 3.47Å; L184-F188 HydrophobicContact CD2-CD1 3.7Å; L184-F188 HydrophobicContact CD2-CD2 4.3Å; L184-F188 HydrophobicContact CD2-CE1 3.56Å; L184-F188 HydrophobicContact CD2-CE2 4.19Å; L184-F188 HydrophobicContact CD2-CG 4.08Å; L184-F188 HydrophobicContact CD2-CZ 3.83Å; G185-F188 VanDerWaalsContact O-CB 3.22Å; G185-F188 WeakPolarHBondContact O-CB 3.01Å; G185-F188 PolarHBondContact O-N 3.44Å; F188-G190 PolarHBondContact O-N 2.9Å
189Y66.6Low67.1Low166 Ų166127.3 Ų127.365%0.65167%0.669SS**SBendtrans-74.165.2168.2-49-76.7000108.2G185 P191G185-Y189 WeakPolarHBondContact O-CD2 3.49Å; Y189-P191 WeakPolarHBondContact O-CD 3.37Å
190G60.6Low66.6Low52 Ų52127.2 Ų127.254%0.53666%0.664SS.*  trans-47109.4175.800000107.7F188 T192F188-G190 PolarHBondContact O-N 2.9Å; G190-T192 PolarHBondContact O-N 2.86Å
191P61.2Low66Low118 Ų118128.7 Ų128.777%0.76668%0.676SS**  trans-60.3119.5-174.720.4-29.6000106.1Y189 K193Y189-P191 WeakPolarHBondContact O-CD 3.37Å; P191-K193 PolarHBondContact O-N 3.21Å
192T60Low66Low108 Ų108125.8 Ų125.866%0.66367%0.667SS**  trans-42.1131.9174.3-51.20000107.6G190 D194G190-T192 PolarHBondContact O-N 2.86Å; T192-D194 HydrophobicContact CG2-CB 4.33Å; T192-D194 CarbonylContact O-C 3.59Å; T192-D194 PolarHBondContact O-N 3.15Å
193K61Low65.9Low202 Ų202125.7 Ų125.788%0.87867%0.669SS**SBendtrans-59.22.4-176-67.7-178.3-179.6177.50114.2P191 P195P191-K193 PolarHBondContact O-N 3.21Å; K193-P195 VanDerWaalsContact C-CD 3.42Å; K193-P195 WeakPolarHBondContact O-CD 3.38Å
194D58.3Low65.4Low118 Ų118123.4 Ų123.463%0.63166%0.663SS**  trans-100.186174.9-55.2-33.8000108.9T192 V196T192-D194 HydrophobicContact CG2-CB 4.33Å; T192-D194 CarbonylContact O-C 3.59Å; T192-D194 PolarHBondContact O-N 3.15Å; D194-V196 PolarHBondContact O-N 2.88Å
195P56.3Low65Low108 Ų108126.9 Ų126.970%0.70167%0.666SS**  trans-70.486.117231.5-35.6000108.7K193 F197K193-P195 VanDerWaalsContact C-CD 3.42Å; K193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-F197 PolarHBondContact O-N 3.44Å
196V57.8Low64.6Low132 Ų132131.6 Ų131.680%0.870%0.696SS**  trans-80.717.2161.8-164.50000110.3D194 T198D194-V196 PolarHBondContact O-N 2.88Å; V196-T198 PolarHBondContact O-N 3.17Å
197F58.6Low64.7Low182 Ų182134.1 Ų134.180%0.79869%0.694SS**SBendtrans-83.2104.3162.1-73.6-75.5000108.5P195 R199P195-F197 PolarHBondContact O-N 3.44Å; F197-R199 PolarHBondContact O-N 2.79Å
198T57Low64.8Low137 Ų137134.6 Ų134.684%0.8469%0.694SS**  trans-42.6110.2167.950.80000109.5V196 Y200V196-T198 PolarHBondContact O-N 3.17Å; T198-Y200 PolarHBondContact O-N 2.79Å
199R65.2Low64.7Low233 Ų233135.9 Ų135.988%0.87971%0.71SS**  trans-51.4125.9-177.1-70.1-172.8-89.3-169.5-5.7109.9F197 K201F197-R199 PolarHBondContact O-N 2.79Å; R199-K201 PolarHBondContact O-N 2.91Å
200Y70.3Confident64.8Low219 Ų219132.2 Ų132.286%0.85971%0.709SS**  trans-48.8109.9171.7174.2-112.3000109.9T198 G202T198-Y200 PolarHBondContact O-N 2.79Å; Y200-G202 PolarHBondContact O-N 3.46Å
201K62.7Low65.2Low212 Ų212137.7 Ų137.792%0.92272%0.72SS**  trans-81.251.3174-67.1-169.8179.3-178.90110.4R199R199-K201 PolarHBondContact O-N 2.91Å
202G77.5Confident65.5Low27 Ų27143.3 Ų143.328%0.27873%0.726SS.*  trans-63.5166.4177.800000113.6Y200 G204Y200-G202 PolarHBondContact O-N 3.46Å; G202-G204 PolarHBondContact O-N 3.3Å
203C73.4Confident65.4Low84 Ų84148.7 Ų148.757%0.56874%0.736SS**  trans-56110.6179-169.10000111.3W205C203-W205 PolarHBondContact O-N 3.47Å; C203-W205 VanDerWaalsContact O-N 3.09Å
204G69.9Low65.5Low40 Ų40146 Ų14641%0.41273%0.73SS.*G310 helixtrans-80.327.9-172.200000115.3G202 S206 K207 S208G202-G204 PolarHBondContact O-N 3.3Å; G204-S206 PolarHBondContact O-N 2.9Å; G204-K207 CarbonylContact O-C 3.39Å; G204-K207 WeakPolarHBondContact O-CA 3.48Å; G204-K207 PolarHBondContact O-N 3.1Å; G204-S208 PolarHBondContact O-N 3.28Å; G204-S208 VanDerWaalsContact O-N 3.13Å
205W69.8Low65.7Low216 Ų216147 Ų14782%0.81874%0.744SS**G310 helixtrans-58.2-33.8178.6-67.7-28.5000112.5C203 K207 S208C203-W205 PolarHBondContact O-N 3.47Å; C203-W205 VanDerWaalsContact O-N 3.09Å; W205-K207 PolarHBondContact O-N 2.94Å; W205-S208 PolarHBondContact O-N 3.49Å
206S67.9Low65.9Low114 Ų114149.4 Ų149.480%0.79774%0.74SS**G310 helixtrans-65.9-19.4174.459.90000113.9G204G204-S206 PolarHBondContact O-N 2.9Å
207K70.8Confident65.9Low180 Ų180154 Ų15478%0.78374%0.743SS**G310 helixtrans-99.8-7.7176.4-61.5-174179.7-177.70113.2G204 W205 T209G204-K207 CarbonylContact O-C 3.39Å; G204-K207 WeakPolarHBondContact O-CA 3.48Å; G204-K207 PolarHBondContact O-N 3.1Å; W205-K207 PolarHBondContact O-N 2.94Å; K207-T209 PolarHBondContact O-N 3.41Å
208S68.9Low65.8Low79 Ų79148.8 Ų148.855%0.55273%0.733SS**  trans-77.279.2175176.50000109.3G204 W205 S210G204-S208 PolarHBondContact O-N 3.28Å; G204-S208 VanDerWaalsContact O-N 3.13Å; W205-S208 PolarHBondContact O-N 3.49Å; S208-S210 PolarHBondContact O-N 2.9Å
209T65.2Low65.9Low126 Ų126146.5 Ų146.577%0.77372%0.723SS**  trans-79.140.6165.159.60000110.4K207 E211K207-T209 PolarHBondContact O-N 3.41Å; T209-E211 PolarHBondContact O-N 3.49Å
210S68.6Low65.4Low90 Ų90141.5 Ų141.563%0.62971%0.714SS**  trans-65.891.9171.9-176.10000106.9S208 R212S208-S210 PolarHBondContact O-N 2.9Å; S210-R212 PolarHBondContact O-N 3Å
211E69.7Low64.9Low167 Ų167137 Ų13778%0.7872%0.715SS**  trans-53.5128.4165.8-66.8-169.1161.200106.9T209 Y213T209-E211 PolarHBondContact O-N 3.49Å; E211-Y213 PolarHBondContact O-N 3.36Å
212R66.6Low64.8Low235 Ų235129.4 Ų129.489%0.88769%0.685SS**  trans-62.8114.5169.6-66.7-178-162.7171.55.2105.3S210 L214S210-R212 PolarHBondContact O-N 3Å; R212-L214 PolarHBondContact O-N 2.89Å
213Y57.5Low64.2Low221 Ų221129.8 Ų129.887%0.86769%0.69SS**  trans-51.4111.5164.6-70.9-82.5000106.8E211 P215E211-Y213 PolarHBondContact O-N 3.36Å; Y213-P215 WeakPolarHBondContact O-CD 3.48Å
214L62.9Low63.9Low146 Ų146132.4 Ų132.476%0.76471%0.706SS**  trans-60.5121.3167.8-67.3174.7000104.9R212 Y216R212-L214 PolarHBondContact O-N 2.89Å; L214-Y216 PolarHBondContact O-N 3.48Å
215P62.4Low64Low140 Ų140134.1 Ų134.191%0.90972%0.723SS**SBendtrans-62.3-6-17423.1-32.8000113.1Y213Y213-P215 WeakPolarHBondContact O-CD 3.48Å
216Y61.6Low64Low157 Ų157132 Ų13262%0.61672%0.72SS**  trans-129.5105.5176.3-172.4-110.7000110.4L214 A218L214-Y216 PolarHBondContact O-N 3.48Å; Y216-A218 HydrophobicContact CD1-CB 3.92Å; Y216-A218 HydrophobicContact CE1-CB 3.59Å; Y216-A218 PolarHBondContact O-N 3.19Å
217R56.8Low64Low229 Ų229134.8 Ų134.886%0.86471%0.714SS**  trans-71.5106.8157.1-174.3176.8-171.11742105.4S219R217-S219 PolarHBondContact O-N 2.84Å
218A56.6Low63.9Low73 Ų73130.2 Ų130.260%0.60370%0.698SS**  trans-65.684.2175.900000109.7Y216 N220Y216-A218 HydrophobicContact CD1-CB 3.92Å; Y216-A218 HydrophobicContact CE1-CB 3.59Å; Y216-A218 PolarHBondContact O-N 3.19Å; A218-N220 PolarHBondContact O-N 3.38Å
219S59.2Low63.8Low89 Ų89130.1 Ų130.162%0.62270%0.696SS**  trans-77.781.3164.862.30000106.6R217R217-S219 PolarHBondContact O-N 2.84Å
220N54.8Low64Low127 Ų127134 Ų13468%0.67970%0.698SS**  trans-173.396.1153.4-86.1-25.1000107.1A218 V222A218-N220 PolarHBondContact O-N 3.38Å; N220-V222 HydrophobicContact CB-CG2 3.91Å; N220-V222 PolarHBondContact O-N 3.45Å
221S59.4Low64.2Low126 Ų126135.8 Ų135.888%0.88170%0.7SS**  trans-65.588.2157.452.60000107.3G223S221-G223 PolarHBondContact O-N 3.11Å
222V62.1Low64.5Low51 Ų51132 Ų13231%0.30969%0.685SS.*  trans-75.7108.2177.8-176.70000106.8N220 K226 Y227N220-V222 HydrophobicContact CB-CG2 3.91Å; N220-V222 PolarHBondContact O-N 3.45Å; V222-K226 HydrophobicContact CB-CB 4.5Å; V222-K226 HydrophobicContact CG1-CB 3.14Å; V222-K226 HydrophobicContact CG1-CG 4.48Å; V222-K226 VanDerWaalsContact CG1-O 3.29Å; V222-K226 WeakPolarHBondContact CG1-O 3.41Å; V222-Y227 WeakPolarHBondContact O-CE2 3.29Å; V222-Y227 PolarHBondContact O-OH 2.88Å
223G64.5Low65.1Low36 Ų36125.3 Ų125.337%0.37167%0.672SS.*  trans-58.6161.5-176.700000113.2S221 G225 K226S221-G223 PolarHBondContact O-N 3.11Å; G223-G225 PolarHBondContact O-N 3.24Å; G223-G225 VanDerWaalsContact O-N 3.08Å; G223-K226 PolarHBondContact O-N 2.89Å
224P67.6Low66.2Low139 Ų139123.3 Ų123.390%0.90366%0.663SS**THydrogen-bonded Turntrans-55118.4-178.723.9-33.1000109.8
225G70.6Confident67.2Low76 Ų76120.3 Ų120.378%0.78465%0.648SS**THydrogen-bonded Turntrans102.3-6.1-177.900000116.3G223G223-G225 PolarHBondContact O-N 3.24Å; G223-G225 VanDerWaalsContact O-N 3.08Å
226K70.3Confident68.2Low171 Ų171121.1 Ų121.174%0.74364%0.637SS**  trans-96.21.7171.7-73.3-128-176.3-171.10114.2V222 G223 D228V222-K226 HydrophobicContact CB-CB 4.5Å; V222-K226 HydrophobicContact CG1-CB 3.14Å; V222-K226 HydrophobicContact CG1-CG 4.48Å; V222-K226 VanDerWaalsContact CG1-O 3.29Å; V222-K226 WeakPolarHBondContact CG1-O 3.41Å; G223-K226 PolarHBondContact O-N 2.89Å; K226-D228 PolarHBondContact O-N 3.16Å; K226-D228 VanDerWaalsContact O-N 3.16Å
227Y67.3Low69.4Low172 Ų172119 Ų11968%0.67564%0.636SS**  trans-69.2107.5168.4-64-83.9000108.2V222 P229V222-Y227 WeakPolarHBondContact O-CE2 3.29Å; V222-Y227 PolarHBondContact O-OH 2.88Å; Y227-P229 WeakPolarHBondContact O-CD 3.37Å
228D68.8Low70.7Confident85 Ų85110.5 Ų110.546%0.45561%0.607SS.*  trans-86.8101.4164.3-174.70.6000107.4K226 Y230 N231K226-D228 PolarHBondContact O-N 3.16Å; K226-D228 VanDerWaalsContact O-N 3.16Å; D228-Y230 PolarHBondContact O-N 3.42Å; D228-Y230 VanDerWaalsContact O-N 3.16Å; D228-Y230 WeakPolarHBondContact OD1-CD2 3.48Å; D228-Y230 PolarHBondContact OD1-N 2.82Å; D228-N231 HydrophobicContact CB-CB 4.18Å; D228-N231 PolarHBondContact O-N 2.84Å
229P66.6Low72.1Confident77 Ų77112.9 Ų112.950%0.561%0.605SS.*G310 helixtrans-62-24.6-177.327.4-34.7000111.4Y227 N231 L235Y227-P229 WeakPolarHBondContact O-CD 3.37Å; P229-N231 VanDerWaalsContact C-N 3.3Å; P229-N231 PolarHBondContact O-N 3.22Å; P229-L235 WeakPolarHBondContact O-CD1 3.49Å
230Y70.1Confident73.6Confident207 Ų207110.9 Ų110.981%0.81259%0.59SS**G310 helixtrans-79-13.1-177-57.3-71.9000113.5D228D228-Y230 PolarHBondContact O-N 3.42Å; D228-Y230 VanDerWaalsContact O-N 3.16Å; D228-Y230 WeakPolarHBondContact OD1-CD2 3.48Å; D228-Y230 PolarHBondContact OD1-N 2.82Å
231N72.6Confident75.1Confident127 Ų127107.5 Ų107.568%0.67958%0.579SS**G310 helixtrans-102.35.8-177.6-132.8-13.3000113.3D228 P229 P233D228-N231 HydrophobicContact CB-CB 4.18Å; D228-N231 PolarHBondContact O-N 2.84Å; P229-N231 VanDerWaalsContact C-N 3.3Å; P229-N231 PolarHBondContact O-N 3.22Å; N231-P233 VanDerWaalsContact O-CD 3.28Å; N231-P233 WeakPolarHBondContact O-CD 3.3Å
232D75.7Confident76.5Confident87 Ų87108.9 Ų108.947%0.46557%0.565SS.*  trans-68.1118.5-179-157.9-16.2000110W234 L235 K236D232-W234 PolarHBondContact O-N 3.08Å; D232-L235 HydrophobicContact CB-CG 4.29Å; D232-L235 PolarHBondContact O-N 3.36Å; D232-K236 PolarHBondContact O-N 3.21Å
233P80.7Confident77.6Confident95 Ų95112.1 Ų112.162%0.61758%0.577SS**Hα-helixtrans-54.5-26.6178.8-26.835.5000112.9N231 K236 L237N231-P233 VanDerWaalsContact O-CD 3.28Å; N231-P233 WeakPolarHBondContact O-CD 3.3Å; P233-K236 PolarHBondContact O-N 3.49Å; P233-L237 WeakPolarHBondContact O-CB 3.49Å; P233-L237 PolarHBondContact O-N 3.34Å
234W80Confident78.5Confident180 Ų180118.7 Ų118.768%0.68259%0.59SS**Hα-helixtrans-66.2-40.6177.1-135.596.5000112.3D232 L237 I238D232-W234 PolarHBondContact O-N 3.08Å; W234-L237 WeakPolarHBondContact O-CB 3.38Å; W234-L237 PolarHBondContact O-N 3.23Å; W234-I238 HydrophobicContact CE3-CD1 3.5Å; W234-I238 VanDerWaalsContact CE3-CD1 3.5Å; W234-I238 HydrophobicContact CE3-CG1 3.51Å; W234-I238 HydrophobicContact CZ3-CD1 3.48Å; W234-I238 VanDerWaalsContact CZ3-CD1 3.48Å; W234-I238 HydrophobicContact CZ3-CG1 3.44Å; W234-I238 VanDerWaalsContact CZ3-CG1 3.44Å; W234-I238 WeakPolarHBondContact O-CG1 3.37Å; W234-I238 PolarHBondContact O-N 3.32Å
235L83.1Confident79.2Confident82 Ų82115.4 Ų115.443%0.42957%0.571SS.*Hα-helixtrans-65-42.3175.1-70.3-174.5000111.4P229 D232 L237 I238 E239P229-L235 WeakPolarHBondContact O-CD1 3.49Å; D232-L235 HydrophobicContact CB-CG 4.29Å; D232-L235 PolarHBondContact O-N 3.36Å; L235-L237 VanDerWaalsContact C-N 3.27Å; L235-L237 PolarHBondContact O-N 3.28Å; L235-I238 HydrophobicContact CD2-CD1 4.1Å; L235-I238 WeakPolarHBondContact O-CB 3.46Å; L235-I238 PolarHBondContact O-N 3.3Å; L235-I238 VanDerWaalsContact O-N 3.15Å; L235-E239 PolarHBondContact O-N 3.13Å
236K84.5Confident79.9Confident158 Ų158116.8 Ų116.869%0.68756%0.56SS**Hα-helixtrans-61-37.7174.8-168.9174.3-177.9174.30111.9D232 P233 E239 T240D232-K236 PolarHBondContact O-N 3.21Å; P233-K236 PolarHBondContact O-N 3.49Å; K236-E239 PolarHBondContact O-N 3.44Å; K236-T240 WeakPolarHBondContact O-CB 3.45Å; K236-T240 PolarHBondContact O-N 3.4Å; K236-T240 PolarHBondContact O-OG1 2.92Å
237L85.5Confident80.3Confident113 Ų113113.2 Ų113.259%0.59255%0.548SS*.Hα-helixtrans-63.5-43.6173.4-105162.4000112.3P233 W234 L235 T240 A241P233-L237 WeakPolarHBondContact O-CB 3.49Å; P233-L237 PolarHBondContact O-N 3.34Å; W234-L237 WeakPolarHBondContact O-CB 3.38Å; W234-L237 PolarHBondContact O-N 3.23Å; L235-L237 VanDerWaalsContact C-N 3.27Å; L235-L237 PolarHBondContact O-N 3.28Å; L237-T240 PolarHBondContact O-N 3.43Å; L237-A241 VanDerWaalsContact O-CB 3.29Å; L237-A241 WeakPolarHBondContact O-CB 3.22Å; L237-A241 PolarHBondContact O-N 3.46Å
238I85.5Confident80.7Confident49 Ų49109.9 Ų109.925%0.25154%0.539SS..Hα-helixtrans-60.7-48174.3-63170.3000110.3W234 L235 T240 A241 R242W234-I238 HydrophobicContact CE3-CD1 3.5Å; W234-I238 VanDerWaalsContact CE3-CD1 3.5Å; W234-I238 HydrophobicContact CE3-CG1 3.51Å; W234-I238 HydrophobicContact CZ3-CD1 3.48Å; W234-I238 VanDerWaalsContact CZ3-CD1 3.48Å; W234-I238 HydrophobicContact CZ3-CG1 3.44Å; W234-I238 VanDerWaalsContact CZ3-CG1 3.44Å; W234-I238 WeakPolarHBondContact O-CG1 3.37Å; W234-I238 PolarHBondContact O-N 3.32Å; L235-I238 HydrophobicContact CD2-CD1 4.1Å; L235-I238 WeakPolarHBondContact O-CB 3.46Å; L235-I238 PolarHBondContact O-N 3.3Å; L235-I238 VanDerWaalsContact O-N 3.15Å; I238-T240 VanDerWaalsContact C-N 3.35Å; I238-T240 PolarHBondContact O-N 3.45Å; I238-A241 PolarHBondContact O-N 3.11Å; I238-R242 HydrophobicContact CG2-CG 4.36Å; I238-R242 WeakPolarHBondContact O-CG 3.37Å; I238-R242 PolarHBondContact O-N 3.47Å
239E85.8Confident81Confident124 Ų124109.4 Ų109.458%0.57955%0.546SS*.Hα-helixtrans-57.3-49.2179.1-157.484.4-126.900110.4L235 K236 A241 R242 E243L235-E239 PolarHBondContact O-N 3.13Å; K236-E239 PolarHBondContact O-N 3.44Å; E239-A241 VanDerWaalsContact C-N 3.32Å; E239-A241 PolarHBondContact O-N 3.2Å; E239-R242 WeakPolarHBondContact O-CB 3.22Å; E239-R242 PolarHBondContact O-N 3.35Å; E239-E243 WeakPolarHBondContact O-CB 3.5Å; E239-E243 PolarHBondContact O-N 3.4Å
240T89.3Confident81.5Confident47 Ų47112.8 Ų112.829%0.28856%0.556SS.*Hα-helixtrans-63-37.9178.2-48.10000111.7K236 L237 I238 E243 R244K236-T240 WeakPolarHBondContact O-CB 3.45Å; K236-T240 PolarHBondContact O-N 3.4Å; K236-T240 PolarHBondContact O-OG1 2.92Å; L237-T240 PolarHBondContact O-N 3.43Å; I238-T240 VanDerWaalsContact C-N 3.35Å; I238-T240 PolarHBondContact O-N 3.45Å; T240-E243 PolarHBondContact O-N 3.22Å; T240-R244 WeakPolarHBondContact O-CB 3.47Å; T240-R244 WeakPolarHBondContact O-CG 3.32Å; T240-R244 PolarHBondContact O-N 3.32Å
241A87.6Confident81.6Confident56 Ų56109.3 Ų109.346%0.46355%0.546SS..Hα-helixtrans-68.4-39.1176.700000111.9L237 I238 E239 S245L237-A241 VanDerWaalsContact O-CB 3.29Å; L237-A241 WeakPolarHBondContact O-CB 3.22Å; L237-A241 PolarHBondContact O-N 3.46Å; I238-A241 PolarHBondContact O-N 3.11Å; E239-A241 VanDerWaalsContact C-N 3.32Å; E239-A241 PolarHBondContact O-N 3.2Å; A241-S245 WeakPolarHBondContact O-CB 3.11Å; A241-S245 PolarHBondContact O-N 2.86Å
242R87.7Confident81.5Confident155 Ų155107.7 Ų107.759%0.58554%0.543SS*.Hα-helixtrans-64.3-43.7172.4-73175179.4174.10.8111.1I238 E239 S245 N246I238-R242 HydrophobicContact CG2-CG 4.36Å; I238-R242 WeakPolarHBondContact O-CG 3.37Å; I238-R242 PolarHBondContact O-N 3.47Å; E239-R242 WeakPolarHBondContact O-CB 3.22Å; E239-R242 PolarHBondContact O-N 3.35Å; R242-S245 PolarHBondContact O-N 2.91Å; R242-N246 WeakPolarHBondContact O-CB 3.05Å; R242-N246 PolarHBondContact O-N 3.14Å; R242-N246 PolarHBondContact O-ND2 3.15Å; R242-N246 PolarHBondContact O-OD1 3.47Å
243E86.6Confident80.9Confident118 Ų118109.5 Ų109.555%0.55155%0.552SS**Hα-helixtrans-61-47176.4-170.1177.9-166.900111.5E239 T240 S245 N246 I247E239-E243 WeakPolarHBondContact O-CB 3.5Å; E239-E243 PolarHBondContact O-N 3.4Å; T240-E243 PolarHBondContact O-N 3.22Å; E243-S245 VanDerWaalsContact C-N 3.35Å; E243-S245 PolarHBondContact O-N 2.79Å; E243-N246 WeakPolarHBondContact O-CB 3.32Å; E243-N246 PolarHBondContact O-N 3.43Å; E243-N246 VanDerWaalsContact O-N 3.16Å; E243-I247 HydrophobicContact CG-CD1 4.21Å; E243-I247 WeakPolarHBondContact O-CG1 3.34Å; E243-I247 PolarHBondContact O-N 2.95Å
244R83Confident80.6Confident175 Ų175109.6 Ų109.666%0.6656%0.561SS**Hα-helixtrans-60.1-42.9173-76.3179.4179165.41.2112.6T240 N246 I247 E248T240-R244 WeakPolarHBondContact O-CB 3.47Å; T240-R244 WeakPolarHBondContact O-CG 3.32Å; T240-R244 PolarHBondContact O-N 3.32Å; R244-N246 VanDerWaalsContact C-N 3.27Å; R244-N246 PolarHBondContact O-N 3.36Å; R244-I247 PolarHBondContact O-N 2.69Å; R244-E248 WeakPolarHBondContact O-CB 3.48Å; R244-E248 PolarHBondContact O-N 3.2Å
245S82.4Confident80.3Confident70 Ų70106.5 Ų106.549%0.4956%0.562SS.*Hα-helixtrans-64.2-33.7176.4-174.80000112A241 R242 E243 A249A241-S245 WeakPolarHBondContact O-CB 3.11Å; A241-S245 PolarHBondContact O-N 2.86Å; R242-S245 PolarHBondContact O-N 2.91Å; E243-S245 VanDerWaalsContact C-N 3.35Å; E243-S245 PolarHBondContact O-N 2.79Å; S245-A249 VanDerWaalsContact O-CB 3.3Å; S245-A249 WeakPolarHBondContact O-CB 3.27Å; S245-A249 PolarHBondContact O-N 3.42Å
246N84.9Confident80Confident105 Ų105105.2 Ų105.256%0.56156%0.558SS**Hα-helixtrans-71.7-43.1175.3-68.6-15.8000110.7R242 E243 R244 E248 A249 E250R242-N246 WeakPolarHBondContact O-CB 3.05Å; R242-N246 PolarHBondContact O-N 3.14Å; R242-N246 PolarHBondContact O-ND2 3.15Å; R242-N246 PolarHBondContact O-OD1 3.47Å; E243-N246 WeakPolarHBondContact O-CB 3.32Å; E243-N246 PolarHBondContact O-N 3.43Å; E243-N246 VanDerWaalsContact O-N 3.16Å; R244-N246 VanDerWaalsContact C-N 3.27Å; R244-N246 PolarHBondContact O-N 3.36Å; N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 3.04Å; N246-A249 WeakPolarHBondContact O-CB 3.39Å; N246-A249 PolarHBondContact O-N 3.46Å; N246-A249 VanDerWaalsContact O-N 3.14Å; N246-E250 WeakPolarHBondContact O-CG 3.4Å; N246-E250 PolarHBondContact O-N 2.8Å
247I79.3Confident79.9Confident95 Ų95106.2 Ų106.249%0.48756%0.558SS.*Hα-helixtrans-61.8-41.9174.2-66.1164.2000110.8E243 R244 A249 E250 H251E243-I247 HydrophobicContact CG-CD1 4.21Å; E243-I247 WeakPolarHBondContact O-CG1 3.34Å; E243-I247 PolarHBondContact O-N 2.95Å; R244-I247 PolarHBondContact O-N 2.69Å; I247-A249 VanDerWaalsContact C-N 3.31Å; I247-E250 PolarHBondContact O-N 3.36Å; I247-H251 WeakPolarHBondContact O-CB 3.47Å; I247-H251 PolarHBondContact O-N 2.91Å
248E74.2Confident79.8Confident102 Ų102108.1 Ų108.148%0.47756%0.561SS.*Hα-helixtrans-71.5-25.2175.8-170.7164.7-15900112.1R244 N246 H251 P252R244-E248 WeakPolarHBondContact O-CB 3.48Å; R244-E248 PolarHBondContact O-N 3.2Å; N246-E248 VanDerWaalsContact C-N 3.33Å; N246-E248 PolarHBondContact O-N 3.04Å; E248-H251 CarbonylContact O-C 3.2Å; E248-P252 WeakPolarHBondContact O-CA 3.44Å
249A75.4Confident79.5Confident75 Ų75112.3 Ų112.362%0.6258%0.581SS**Hα-helixtrans-73.3-37.8170.600000112.3S245 N246 I247S245-A249 VanDerWaalsContact O-CB 3.3Å; S245-A249 WeakPolarHBondContact O-CB 3.27Å; S245-A249 PolarHBondContact O-N 3.42Å; N246-A249 WeakPolarHBondContact O-CB 3.39Å; N246-A249 PolarHBondContact O-N 3.46Å; N246-A249 VanDerWaalsContact O-N 3.14Å; I247-A249 VanDerWaalsContact C-N 3.31Å
250E78Confident79.5Confident148 Ų148108.8 Ų108.869%0.69257%0.567SS**Hα-helixtrans-71-38.3173.8-70.6-6715300112N246 I247 P252N246-E250 WeakPolarHBondContact O-CG 3.4Å; N246-E250 PolarHBondContact O-N 2.8Å; I247-E250 PolarHBondContact O-N 3.36Å; E250-P252 WeakPolarHBondContact O-CD 3.14Å
251H71.9Confident79.3Confident134 Ų134111.5 Ų111.562%0.6258%0.575SS**SBendtrans-126.671.5-179.4-56-44.3000109.2I247 E248 L253I247-H251 WeakPolarHBondContact O-CB 3.47Å; I247-H251 PolarHBondContact O-N 2.91Å; E248-H251 CarbonylContact O-C 3.2Å; H251-L253 PolarHBondContact O-N 3Å
252P70.2Confident79.1Confident93 Ų93111.4 Ų111.460%0.60457%0.568SS**  trans-55.6112.6177.123-32.3000107.1E248 E250 A254E248-P252 WeakPolarHBondContact O-CA 3.44Å; E250-P252 WeakPolarHBondContact O-CD 3.14Å; P252-A254 VanDerWaalsContact C-N 3.3Å; P252-A254 PolarHBondContact O-N 3.37Å
253L63.7Low78.9Confident125 Ų125107.6 Ų107.665%0.65456%0.562SS**  trans-54.2108.2168.6-69.4176.7000104.3H251 V255H251-L253 PolarHBondContact O-N 3Å; L253-V255 HydrophobicContact CB-CG2 3.96Å; L253-V255 PolarHBondContact O-N 3.27Å
254A73.4Confident78.7Confident98 Ų98109.3 Ų109.381%0.8156%0.564SS**  trans-72.169179.600000107.2P252 P256P252-A254 VanDerWaalsContact C-N 3.3Å; P252-A254 PolarHBondContact O-N 3.37Å; A254-P256 WeakPolarHBondContact O-CD 3.46Å
255V74.6Confident78.7Confident115 Ų115105.4 Ų105.470%0.69755%0.554SS**  trans-74.6105.6175.1-177.40000105.3L253L253-V255 HydrophobicContact CB-CG2 3.96Å; L253-V255 PolarHBondContact O-N 3.27Å
256P77.4Confident78.5Confident54 Ų54106.6 Ų106.635%0.35155%0.554SS.*  trans-61145.5-179.524.6-31.5000109.5A254 D260 K261 Y264A254-P256 WeakPolarHBondContact O-CD 3.46Å; P256-D260 HydrophobicContact CB-CB 3.73Å; P256-K261 HydrophobicContact CG-CB 4.39Å; P256-Y264 HydrophobicContact CB-CD2 4.31Å; P256-Y264 HydrophobicContact CB-CE2 4.31Å
257R80.7Confident78Confident179 Ų179108.7 Ų108.768%0.67556%0.56SS**  trans-59.7159170.3-61.2174.7-66.7174.91.7108.7M259 D260 K261R257-M259 PolarHBondContact O-N 3.49Å; R257-M259 VanDerWaalsContact O-N 3.11Å; R257-D260 WeakPolarHBondContact CB-OD2 3.44Å; R257-D260 IonicContact CZ-OD2 2.74Å; R257-D260 PolarHBondContact N-OD2 3.41Å; R257-D260 IonicContact NE-OD1 3.79Å; R257-D260 IonicContact NE-OD2 3.3Å; R257-D260 PolarHBondContact NE-OD2 2.93Å; R257-D260 IonicContact NH2-OD1 3.79Å; R257-D260 PolarHBondContact NH2-OD1 2.87Å; R257-D260 IonicContact NH2-OD2 3.93Å; R257-D260 PolarHBondContact NH2-OD2 3.11Å; R257-D260 WeakPolarHBondContact O-CA 3.39Å; R257-D260 WeakPolarHBondContact O-CB 3.47Å; R257-D260 PolarHBondContact O-N 3.29Å; R257-K261 PolarHBondContact O-N 2.74Å
258F83.1Confident77.9Confident153 Ų153112.2 Ų112.267%0.67157%0.572SS**Hα-helixtrans-51-41179.8179.3-100.8000113.2K261 V262F258-K261 WeakPolarHBondContact O-CB 2.99Å; F258-K261 PolarHBondContact O-N 2.92Å; F258-V262 HydrophobicContact CE1-CG2 4.14Å; F258-V262 HydrophobicContact CZ-CG2 4.19Å; F258-V262 WeakPolarHBondContact O-CG2 3.35Å; F258-V262 PolarHBondContact O-N 2.87Å; F258-V262 VanDerWaalsContact O-N 3.08Å
259M80.9Confident77.7Confident137 Ų137113.5 Ų113.568%0.67558%0.578SS**Hα-helixtrans-65.3-43.2175.8-62.2-58.4-177.500112.6R257 K261 V262 V263R257-M259 PolarHBondContact O-N 3.49Å; R257-M259 VanDerWaalsContact O-N 3.11Å; M259-K261 VanDerWaalsContact C-N 3.27Å; M259-K261 PolarHBondContact O-N 3.43Å; M259-V262 PolarHBondContact O-N 3.48Å; M259-V263 WeakPolarHBondContact O-CG2 3.43Å; M259-V263 PolarHBondContact O-N 2.88Å
260D84.9Confident77.3Confident51 Ų51117.3 Ų117.327%0.27359%0.588SS.*Hα-helixtrans-64.4-37178.4-54.4-32.6000109.9P256 R257 V263 Y264P256-D260 HydrophobicContact CB-CB 3.73Å; R257-D260 WeakPolarHBondContact CB-OD2 3.44Å; R257-D260 IonicContact CZ-OD2 2.74Å; R257-D260 PolarHBondContact N-OD2 3.41Å; R257-D260 IonicContact NE-OD1 3.79Å; R257-D260 IonicContact NE-OD2 3.3Å; R257-D260 PolarHBondContact NE-OD2 2.93Å; R257-D260 IonicContact NH2-OD1 3.79Å; R257-D260 PolarHBondContact NH2-OD1 2.87Å; R257-D260 IonicContact NH2-OD2 3.93Å; R257-D260 PolarHBondContact NH2-OD2 3.11Å; R257-D260 WeakPolarHBondContact O-CA 3.39Å; R257-D260 WeakPolarHBondContact O-CB 3.47Å; R257-D260 PolarHBondContact O-N 3.29Å; D260-V263 PolarHBondContact O-N 3.19Å; D260-Y264 WeakPolarHBondContact O-CD2 3.07Å; D260-Y264 PolarHBondContact O-N 2.83Å
261K85.9Confident76.8Confident104 Ų104117.1 Ų117.145%0.45259%0.585SS.*Hα-helixtrans-60.7-44.5172.8-170.1-169.8179.6-145.40112P256 R257 F258 M259 V263 Y264 E265P256-K261 HydrophobicContact CG-CB 4.39Å; R257-K261 PolarHBondContact O-N 2.74Å; F258-K261 WeakPolarHBondContact O-CB 2.99Å; F258-K261 PolarHBondContact O-N 2.92Å; M259-K261 VanDerWaalsContact C-N 3.27Å; M259-K261 PolarHBondContact O-N 3.43Å; K261-V263 VanDerWaalsContact C-N 3.33Å; K261-V263 PolarHBondContact O-N 3.04Å; K261-Y264 PolarHBondContact O-N 3.48Å; K261-E265 WeakPolarHBondContact CE-OE1 3.13Å; K261-E265 IonicContact NZ-OE1 3.37Å; K261-E265 PolarHBondContact NZ-OE1 3.12Å; K261-E265 WeakPolarHBondContact O-CG 3.42Å; K261-E265 PolarHBondContact O-N 2.96Å
262V82.8Confident76.6Confident53 Ų53113.8 Ų113.832%0.32158%0.575SS.*Hα-helixtrans-61.9-41.6175.9172.50000111F258 M259 E265 L266F258-V262 HydrophobicContact CE1-CG2 4.14Å; F258-V262 HydrophobicContact CZ-CG2 4.19Å; F258-V262 WeakPolarHBondContact O-CG2 3.35Å; F258-V262 PolarHBondContact O-N 2.87Å; F258-V262 VanDerWaalsContact O-N 3.08Å; M259-V262 PolarHBondContact O-N 3.48Å; V262-E265 PolarHBondContact O-N 3.04Å; V262-L266 HydrophobicContact CG1-CD1 4.21Å; V262-L266 HydrophobicContact CG1-CG 4.44Å; V262-L266 WeakPolarHBondContact O-CB 3.48Å; V262-L266 WeakPolarHBondContact O-CG 3.3Å; V262-L266 PolarHBondContact O-N 2.8Å
263V84.6Confident76.3Confident76 Ų76112.3 Ų112.346%0.46157%0.567SS.*Hα-helixtrans-63.6-42.8175.8175.90000111M259 D260 K261 E265 L266 H267M259-V263 WeakPolarHBondContact O-CG2 3.43Å; M259-V263 PolarHBondContact O-N 2.88Å; D260-V263 PolarHBondContact O-N 3.19Å; K261-V263 VanDerWaalsContact C-N 3.33Å; K261-V263 PolarHBondContact O-N 3.04Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 2.64Å; V263-L266 PolarHBondContact O-N 2.91Å; V263-H267 PolarHBondContact O-CD2 3.28Å; V263-H267 VanDerWaalsContact O-CD2 3.25Å; V263-H267 PolarHBondContact O-N 3.24Å
264Y80.7Confident76.4Confident153 Ų153112.1 Ų112.160%0.657%0.574SS**Hα-helixtrans-61.8-40.9173.7-84-65.4000112.6P256 D260 K261 H267 K268P256-Y264 HydrophobicContact CB-CD2 4.31Å; P256-Y264 HydrophobicContact CB-CE2 4.31Å; D260-Y264 WeakPolarHBondContact O-CD2 3.07Å; D260-Y264 PolarHBondContact O-N 2.83Å; K261-Y264 PolarHBondContact O-N 3.48Å; Y264-H267 PolarHBondContact O-N 3.27Å; Y264-K268 WeakPolarHBondContact O-CG 3.46Å; Y264-K268 PolarHBondContact O-N 3.25Å
265E83.9Confident76Confident93 Ų93113.3 Ų113.344%0.43557%0.574SS.*Hα-helixtrans-64.9-41.3174.9-74.2173.9-171.600111.5K261 V262 V263 H267 K268 Q269K261-E265 WeakPolarHBondContact CE-OE1 3.13Å; K261-E265 IonicContact NZ-OE1 3.37Å; K261-E265 PolarHBondContact NZ-OE1 3.12Å; K261-E265 WeakPolarHBondContact O-CG 3.42Å; K261-E265 PolarHBondContact O-N 2.96Å; V262-E265 PolarHBondContact O-N 3.04Å; V263-E265 VanDerWaalsContact C-N 3.35Å; V263-E265 PolarHBondContact O-N 2.64Å; E265-H267 VanDerWaalsContact C-N 3.34Å; E265-H267 PolarHBondContact O-N 3.09Å; E265-K268 WeakPolarHBondContact O-CB 3.48Å; E265-K268 PolarHBondContact O-N 3.2Å; E265-K268 VanDerWaalsContact O-N 3.12Å; E265-Q269 WeakPolarHBondContact O-CG 3.37Å; E265-Q269 PolarHBondContact O-N 3.37Å
266L78.7Confident75.7Confident96 Ų96111.3 Ų111.350%0.50357%0.565SS.*Hα-helixtrans-62.4-38.4173.4-76.5173000112.4V262 V263 K268 F271V262-L266 HydrophobicContact CG1-CD1 4.21Å; V262-L266 HydrophobicContact CG1-CG 4.44Å; V262-L266 WeakPolarHBondContact O-CB 3.48Å; V262-L266 WeakPolarHBondContact O-CG 3.3Å; V262-L266 PolarHBondContact O-N 2.8Å; V263-L266 PolarHBondContact O-N 2.91Å; L266-K268 VanDerWaalsContact C-N 3.31Å; L266-F271 HydrophobicContact CD2-CE2 4.14Å
267H74.6Confident75.1Confident149 Ų149115.2 Ų115.269%0.6957%0.574SS**Hα-helixtrans-68.1-30173.4-85.5-128.6000112.5V263 Y264 E265V263-H267 PolarHBondContact O-CD2 3.28Å; V263-H267 VanDerWaalsContact O-CD2 3.25Å; V263-H267 PolarHBondContact O-N 3.24Å; Y264-H267 PolarHBondContact O-N 3.27Å; E265-H267 VanDerWaalsContact C-N 3.34Å; E265-H267 PolarHBondContact O-N 3.09Å
268K75.9Confident74.4Confident168 Ų168113.2 Ų113.273%0.7358%0.577SS**Hα-helixtrans-75.4-35176-78.5-177.3179-173.10113Y264 E265 L266 N270Y264-K268 WeakPolarHBondContact O-CG 3.46Å; Y264-K268 PolarHBondContact O-N 3.25Å; E265-K268 WeakPolarHBondContact O-CB 3.48Å; E265-K268 PolarHBondContact O-N 3.2Å; E265-K268 VanDerWaalsContact O-N 3.12Å; L266-K268 VanDerWaalsContact C-N 3.31Å; K268-N270 PolarHBondContact O-N 3.47Å
269Q69.4Low73.5Confident130 Ų130111.6 Ų111.661%0.60757%0.574SS**SBendtrans-68.8103.4168.6-63.5-62.9-13.700106E265 F271E265-Q269 WeakPolarHBondContact O-CG 3.37Å; E265-Q269 PolarHBondContact O-N 3.37Å; Q269-F271 HydrophobicContact CB-CD2 3.85Å; Q269-F271 HydrophobicContact CB-CE2 3.58Å; Q269-F271 HydrophobicContact CG-CE2 4.48Å; Q269-F271 VanDerWaalsContact O-CD2 3.27Å; Q269-F271 WeakPolarHBondContact O-CD2 3.46Å; Q269-F271 PolarHBondContact O-N 2.98Å
270N67.3Low72.3Confident154 Ų154112.9 Ų112.982%0.82458%0.578SS**  trans-62.569.8-177.7-70.3-44.4000111.4K268 P272K268-N270 PolarHBondContact O-N 3.47Å; N270-P272 WeakPolarHBondContact O-CD 3.48Å
271F68.3Low71Confident144 Ų144116.9 Ų116.963%0.63260%0.6SS**PPolyproline II helixtrans-67.3118.3172.1-78.5-77.6000107L266 Q269 S273L266-F271 HydrophobicContact CD2-CE2 4.14Å; Q269-F271 HydrophobicContact CB-CD2 3.85Å; Q269-F271 HydrophobicContact CB-CE2 3.58Å; Q269-F271 HydrophobicContact CG-CE2 4.48Å; Q269-F271 VanDerWaalsContact O-CD2 3.27Å; Q269-F271 WeakPolarHBondContact O-CD2 3.46Å; Q269-F271 PolarHBondContact O-N 2.98Å; F271-S273 PolarHBondContact O-N 2.95Å
272P68Low69.1Low64 Ų64121.1 Ų121.142%0.41662%0.618SS.*PPolyproline II helixtrans-56.1133.9178.620.4-29.4000108.7N270 Y277N270-P272 WeakPolarHBondContact O-CD 3.48Å; P272-Y277 HydrophobicContact CG-CE1 4.09Å
273S63.3Low67.3Low62 Ų62127.5 Ų127.543%0.43464%0.644SS.*PPolyproline II helixtrans-53.4151.9175.852.60000109.8F271 C275 S276F271-S273 PolarHBondContact O-N 2.95Å; S273-C275 PolarHBondContact O-N 3.47Å; S273-S276 WeakPolarHBondContact O-CB 3.36Å; S273-S276 PolarHBondContact O-N 3.09Å; S273-S276 PolarHBondContact OG-OG 2.87Å
274P65.7Low65.5Low122 Ų122131.7 Ų131.779%0.79266%0.663SS**THydrogen-bonded Turntrans-55.4-17-179.116.9-28.8000114.4
275C66.1Low63.8Low122 Ų122128.7 Ų128.782%0.82466%0.664SS**THydrogen-bonded Turntrans-89.8-11.3175-165.10000114.2S273S273-C275 PolarHBondContact O-N 3.47Å
276S68.1Low62Low73 Ų73134 Ų13451%0.5169%0.686SS.*  trans-87.3-7.7179.8-62.50000113.4S273 N278S273-S276 WeakPolarHBondContact O-CB 3.36Å; S273-S276 PolarHBondContact O-N 3.09Å; S273-S276 PolarHBondContact OG-OG 2.87Å; S276-N278 PolarHBondContact O-N 3.49Å
277Y63.3Low60.3Low136 Ų136133.6 Ų133.653%0.53370%0.696SS.*  trans-70.9102.2170-61.1-75.1000108.4P272 I279P272-Y277 HydrophobicContact CG-CE1 4.09Å; Y277-I279 PolarHBondContact O-N 3.47Å
278N66.2Low58.9Low137 Ų137133.3 Ų133.373%0.73370%0.7SS**  trans-71.681.3164.9-172.6-2.7000107.8S276 Q280S276-N278 PolarHBondContact O-N 3.49Å; N278-Q280 VanDerWaalsContact C-N 3.34Å; N278-Q280 PolarHBondContact O-N 3.39Å
279I64.1Low57.6Low119 Ų119130.1 Ų130.161%0.6171%0.705SS**  trans-70.7102.3167.9-48.3174.4000104.3Y277 D281Y277-I279 PolarHBondContact O-N 3.47Å; I279-D281 WeakPolarHBondContact CG2-OD1 3.46Å; I279-D281 PolarHBondContact O-N 3.3Å
280Q56.2Low56.7Low164 Ų164130.3 Ų130.377%0.76671%0.714SS**  trans-66.876.9167.6-66.6-178.7-9.900107.2N278 K282N278-Q280 VanDerWaalsContact C-N 3.34Å; N278-Q280 PolarHBondContact O-N 3.39Å; Q280-K282 VanDerWaalsContact C-N 3.27Å; Q280-K282 PolarHBondContact O-N 3.47Å
281D57Low56.1Low135 Ų135131.5 Ų131.572%0.72272%0.715SS**  trans-62.6100.4169.2-78.3-24.3000105.8I279 Q283I279-D281 WeakPolarHBondContact CG2-OD1 3.46Å; I279-D281 PolarHBondContact O-N 3.3Å; D281-Q283 PolarHBondContact O-N 3.43Å
282K46.4Very low55.6Low194 Ų194129 Ų12984%0.84371%0.711SS**  trans-44.5117.6179.6-73.6177.5176.8-179.60107.7Q280 I284Q280-K282 VanDerWaalsContact C-N 3.27Å; Q280-K282 PolarHBondContact O-N 3.47Å; K282-I284 PolarHBondContact O-N 3.41Å
283Q46.4Very low55.4Low186 Ų186132.1 Ų132.187%0.86973%0.731SS**  trans-11.694.4164.2-66.6175.3-27.400111D281 S285D281-Q283 PolarHBondContact O-N 3.43Å; Q283-S285 PolarHBondContact O-N 3.41Å
284I46.3Very low55.1Low164 Ų164137.2 Ų137.284%0.84175%0.746SS**  trans-67.890.3162.1-59.9170.6000103.1K282 K286K282-I284 PolarHBondContact O-N 3.41Å; I284-K286 PolarHBondContact O-N 3.25Å
285S44.7Very low54.7Low90 Ų90139.5 Ų139.563%0.62975%0.752SS**  trans-41.2127.4171.849.50000107.5Q283 A287Q283-S285 PolarHBondContact O-N 3.41Å; S285-A287 PolarHBondContact O-N 3.27Å
286K46.6Very low54.6Low206 Ų206137.8 Ų137.890%0.89674%0.738SS**  trans-5084.4176.9-63.2172.6179.6177.90109.5I284 N288I284-K286 PolarHBondContact O-N 3.25Å; K286-N288 PolarHBondContact O-N 2.82Å
287A42.9Very low54.4Low87 Ų87143.8 Ų143.872%0.71976%0.758SS**  trans-78.688174.400000106.3S285 A289S285-A287 PolarHBondContact O-N 3.27Å; A287-A289 PolarHBondContact O-N 3.49Å
288N44.3Very low54.6Low143 Ų143144.8 Ų144.877%0.76577%0.767SS**  trans25.797.2148.6-59.8-29.4000115.2K286 V290K286-N288 PolarHBondContact O-N 2.82Å; N288-V290 PolarHBondContact O-N 3.15Å
289A49.8Very low54.6Low101 Ų101145.9 Ų145.984%0.83577%0.768SS**  trans25.671.7136.400000114.3A287 Q291A287-A289 PolarHBondContact O-N 3.49Å; A289-Q291 VanDerWaalsContact C-N 3.27Å; A289-Q291 PolarHBondContact O-N 3.13Å
290V49.5Very low55Low133 Ų133150.8 Ų150.881%0.80678%0.779SS**  trans-64.8101.1160.7177.60000105.2N288 V292N288-V290 PolarHBondContact O-N 3.15Å; V290-V292 PolarHBondContact O-N 3.37Å
291Q54.8Low55.7Low180 Ų180150.2 Ų150.284%0.84177%0.774SS**  trans-50105.2173-174.8175.87.200108A289A289-Q291 VanDerWaalsContact C-N 3.27Å; A289-Q291 PolarHBondContact O-N 3.13Å
292V58.3Low56.1Low91 Ų91151.7 Ų151.755%0.55277%0.774SS**  trans-64.3127.3173.5-820000107.5V290 F294V290-V292 PolarHBondContact O-N 3.37Å; V292-F294 PolarHBondContact O-N 3.42Å
293P63Low57.1Low129 Ų129150.6 Ų150.684%0.83877%0.772SS**SBendtrans-72.77.8-16426.5-35000115.1
294F56.8Low58Low170 Ų170150.7 Ų150.775%0.74677%0.769SS**SBendtrans-142.5121.9-180-134.9-100.4000107.7V292 T296V292-F294 PolarHBondContact O-N 3.42Å; F294-T296 PolarHBondContact O-N 3.25Å; F294-T296 PolarHBondContact O-OG1 3.28Å
295N58Low58.7Low170 Ų170148.3 Ų148.391%0.90976%0.762SS**SBendtrans-49.863.8-174.8-67.2-15.3000114.8
296T63.2Low59.6Low86 Ų86150.1 Ų150.153%0.52876%0.763SS.*  trans-12396.5175.645.30000105.4F294 E298F294-T296 PolarHBondContact O-N 3.25Å; F294-T296 PolarHBondContact O-OG1 3.28Å; T296-E298 PolarHBondContact O-N 2.78Å
297E64.8Low60.4Low199 Ų199147.4 Ų147.493%0.9376%0.759SS**  trans-77.8-6.1177.2-64.1-174.8169.700112.1Q299E297-Q299 PolarHBondContact O-N 3.43Å
298E68.1Low61.4Low156 Ų156147.8 Ų147.873%0.72975%0.752SS**SBendtrans-75.5125.1177.4-72.6-165.1150.400111.2T296 R300T296-E298 PolarHBondContact O-N 2.78Å; E298-R300 PolarHBondContact O-N 3.19Å
299Q66.2Low62.4Low160 Ų160143.6 Ų143.675%0.74873%0.733SS**  trans-52.1114.2167.3-81179.5-22.300109E297 F301E297-Q299 PolarHBondContact O-N 3.43Å; Q299-F301 CarbonylContact O-C 3.56Å; Q299-F301 PolarHBondContact O-N 2.97Å
300R71.9Confident63.5Low223 Ų223140.9 Ų140.984%0.84271%0.714SS**SBendtrans-47.9-29.2176.1-172.6178.1-149-123.42.5112.9E298E298-R300 PolarHBondContact O-N 3.19Å
301F70Confident64.3Low151 Ų151140.2 Ų140.266%0.66271%0.713SS**SBendtrans-121.6107.8175.6-54.4-70.7000107.9Q299 E303Q299-F301 CarbonylContact O-C 3.56Å; Q299-F301 PolarHBondContact O-N 2.97Å; F301-E303 PolarHBondContact O-N 2.89Å
302K65.4Low64.8Low167 Ų167139 Ų13973%0.72671%0.712SS**  trans-61.1132.6158.4-61.7-167.7179.2-174.50106.3K304K302-K304 PolarHBondContact O-N 3.32Å
303E68.6Low65.3Low171 Ų171137.8 Ų137.880%0.79971%0.712SS**  trans-47.8113.1167.8-175.7175.8-179.100106.7F301 V305F301-E303 PolarHBondContact O-N 2.89Å; E303-V305 PolarHBondContact O-N 3.07Å
304K65.3Low65.1Low187 Ų187138.8 Ų138.881%0.81370%0.7SS**  trans-65.496.5171.9-94.8-175.1174.7-177.40104.7K302 I306K302-K304 PolarHBondContact O-N 3.32Å; K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 WeakPolarHBondContact O-CG1 3.37Å; K304-I306 PolarHBondContact O-N 2.92Å
305V61.5Low65.1Low115 Ų115137.1 Ų137.170%0.69770%0.699SS**  trans-58.5107.5154.4-178.50000103.8E303 D307E303-V305 PolarHBondContact O-N 3.07Å; V305-D307 VanDerWaalsContact C-N 3.26Å; V305-D307 PolarHBondContact O-N 3.19Å
306I63.4Low65Low127 Ų127135.9 Ų135.965%0.65169%0.692SS**  trans-70.491.7-177.5-59.7174.8000105.5K304 T308K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 WeakPolarHBondContact O-CG1 3.37Å; K304-I306 PolarHBondContact O-N 2.92Å; I306-T308 WeakPolarHBondContact CG2-O 3.27Å; I306-T308 WeakPolarHBondContact CG2-OG1 3.38Å; I306-T308 PolarHBondContact O-N 3.4Å
307D62.2Low64.6Low149 Ų149140 Ų14080%0.79770%0.702SS**  trans-67.3-10.4174.3-93.9-7.3000112.4V305 P309V305-D307 VanDerWaalsContact C-N 3.26Å; V305-D307 PolarHBondContact O-N 3.19Å; D307-P309 WeakPolarHBondContact O-CD 3.15Å
308T63.9Low63.9Low96 Ų96135.8 Ų135.859%0.58970%0.695SS**SBendtrans-74107.4166.335.10000108.5I306 G310I306-T308 WeakPolarHBondContact CG2-O 3.27Å; I306-T308 WeakPolarHBondContact CG2-OG1 3.38Å; I306-T308 PolarHBondContact O-N 3.4Å; T308-G310 PolarHBondContact O-N 3.31Å
309P66Low63Low55 Ų55130.8 Ų130.836%0.35769%0.685SS.*  trans-50.9134.2171.420.4-31.6000108.6D307 A313 Y314D307-P309 WeakPolarHBondContact O-CD 3.15Å; P309-A313 HydrophobicContact CB-CB 3.45Å; P309-A313 VanDerWaalsContact CB-CB 3.45Å; P309-Y314 HydrophobicContact CG-CD1 4.35Å; P309-Y314 HydrophobicContact CG-CE1 3.81Å; P309-Y314 HydrophobicContact CG-CE2 4.2Å
310G72.9Confident62.2Low43 Ų43126 Ų12644%0.44367%0.672SS.*  trans-51.7159.1171.900000110.1T308 N312 A313T308-G310 PolarHBondContact O-N 3.31Å; G310-N312 PolarHBondContact O-N 3.49Å; G310-A313 PolarHBondContact O-N 3.47Å
311P65.8Low61.2Low119 Ų119120.6 Ų120.677%0.77366%0.659SS**THydrogen-bonded Turntrans-52.8-14.5-173.116.6-29.1000115
312N65.8Low60.3Low155 Ų155117.9 Ų117.983%0.82966%0.659SS**THydrogen-bonded Turntrans-104.5-6.2-177-46.721000113.4G310G310-N312 PolarHBondContact O-N 3.49Å
313A68.4Low59.3Low66 Ų66119.3 Ų119.355%0.54566%0.66SS.*  trans-931.5-175.300000113.8P309 G310 D315P309-A313 HydrophobicContact CB-CB 3.45Å; P309-A313 VanDerWaalsContact CB-CB 3.45Å; G310-A313 PolarHBondContact O-N 3.47Å; A313-D315 PolarHBondContact O-N 3.4Å; A313-D315 VanDerWaalsContact O-N 3.13Å
314Y59.9Low58.4Low150 Ų150117.3 Ų117.359%0.58865%0.645SS**SBendtrans-76.195.8165.8-62.2-80000109.1P309 L316P309-Y314 HydrophobicContact CG-CD1 4.35Å; P309-Y314 HydrophobicContact CG-CE1 3.81Å; P309-Y314 HydrophobicContact CG-CE2 4.2Å; Y314-L316 PolarHBondContact O-N 3.05Å; Y314-L316 VanDerWaalsContact O-N 3.16Å
315D55.3Low57.5Low134 Ų134119 Ų11972%0.71765%0.646SS**  trans-66.9115175-156.32.8000109.5A313 K317A313-D315 PolarHBondContact O-N 3.4Å; A313-D315 VanDerWaalsContact O-N 3.13Å; D315-K317 PolarHBondContact O-N 2.74Å; D315-K317 WeakPolarHBondContact OD1-CG 3.24Å
316L55.6Low57Low145 Ų145119.7 Ų119.776%0.75965%0.646SS**THydrogen-bonded Turntrans-7637.7-175.2-76.7154.3000112Y314 I321Y314-L316 PolarHBondContact O-N 3.05Å; Y314-L316 VanDerWaalsContact O-N 3.16Å; L316-I321 HydrophobicContact CD2-CD1 3.55Å
317K56.7Low56.4Low172 Ų172124.6 Ų124.675%0.74866%0.656SS**THydrogen-bonded Turntrans-91.4-8.8-172-71.5-93-177.2162.70114.7D315D315-K317 PolarHBondContact O-N 2.74Å; D315-K317 WeakPolarHBondContact OD1-CG 3.24Å
318S49Very low55.8Low111 Ų111122.5 Ų122.578%0.77664%0.637SS**SBendtrans-11390-179.4-68.70000111.4A320S318-A320 PolarHBondContact O-N 2.82Å
319G49.4Very low54.9Low51 Ų51127.5 Ų127.553%0.52665%0.651SS.*SBendtrans23.65.9150.400000124.3I321 S322G319-I321 VanDerWaalsContact C-N 3.3Å; G319-I321 PolarHBondContact O-N 3.07Å; G319-S322 PolarHBondContact O-N 2.68Å; G319-S322 PolarHBondContact O-OG 3.31Å
320A48.9Very low54.2Low58 Ų58132.3 Ų132.348%0.47967%0.668SS.*Hα-helixtrans-76.2-19.3-173.900000112.6S318S318-A320 PolarHBondContact O-N 2.82Å
321I52.1Low53.2Low110 Ų110136.2 Ų136.256%0.56469%0.686SS**Hα-helixtrans-75.4-37177.6-63.8167.6000110.5L316 G319 R323 R324L316-I321 HydrophobicContact CD2-CD1 3.55Å; G319-I321 VanDerWaalsContact C-N 3.3Å; G319-I321 PolarHBondContact O-N 3.07Å; I321-R323 VanDerWaalsContact C-N 3.33Å; I321-R323 PolarHBondContact O-N 3.41Å; I321-R324 WeakPolarHBondContact O-CB 3.49Å; I321-R324 PolarHBondContact O-N 3.36Å
322S49.6Very low53Low94 Ų94137.7 Ų137.766%0.65768%0.68SS**Hα-helixtrans-64.3-36-177.871.90000112.9G319G319-S322 PolarHBondContact O-N 2.68Å; G319-S322 PolarHBondContact O-OG 3.31Å
323R46.2Very low52.6Low198 Ų198135.3 Ų135.375%0.74767%0.673SS**Hα-helixtrans-85.5-9.8178.3-61.7-156.5-59.9-104.13114.4I321 W325I321-R323 VanDerWaalsContact C-N 3.33Å; I321-R323 PolarHBondContact O-N 3.41Å; R323-W325 VanDerWaalsContact C-N 3.3Å; R323-W325 PolarHBondContact O-N 3.46Å
324R48.9Very low52.8Low128 Ų128141.9 Ų141.948%0.48369%0.69SS.*Hα-helixtrans-69.1-26.5-176.6-174.1174.6-70.1-1790.3113I321 L326I321-R324 WeakPolarHBondContact O-CB 3.49Å; I321-R324 PolarHBondContact O-N 3.36Å; R324-L326 VanDerWaalsContact C-N 3.32Å; R324-L326 PolarHBondContact O-N 3.46Å
325W47.3Very low52.5Low222 Ų222139.9 Ų139.984%0.84169%0.689SS**THydrogen-bonded Turntrans-69.2-28.8-175.5-16575.8000113.2R323R323-W325 VanDerWaalsContact C-N 3.3Å; R323-W325 PolarHBondContact O-N 3.46Å
326L50.9Low53Low131 Ų131136.4 Ų136.469%0.68668%0.679SS**THydrogen-bonded Turntrans-91.9-4.6-166.9-72.7167.9000116.5R324R324-L326 VanDerWaalsContact C-N 3.32Å; R324-L326 PolarHBondContact O-N 3.46Å
327R49.2Very low53Low230 Ų230133.6 Ų133.687%0.86867%0.668SS**  trans-126.317.9-174.5-68.4-157.6-177.9-154.12.9117.5F329R327-F329 PolarHBondContact O-N 3.49Å
328R49.7Very low53.4Low105 Ų105130 Ų13040%0.39667%0.665SS.*  trans-89.426.4179.4-68.8-158.9-178.2-160.34.6116.4Q330 D335 T337R328-Q330 VanDerWaalsContact C-N 3.31Å; R328-Q330 PolarHBondContact O-N 3.44Å; R328-D335 IonicContact CZ-OD1 2.91Å; R328-D335 IonicContact CZ-OD2 3.3Å; R328-D335 IonicContact NH1-OD1 2.72Å; R328-D335 PolarHBondContact NH1-OD1 3.07Å; R328-D335 IonicContact NH1-OD2 2.71Å; R328-D335 PolarHBondContact NH1-OD2 2.97Å; R328-T337 VanDerWaalsContact NH2-CG2 3.33Å
329F46.3Very low54Low201 Ų201132 Ų13288%0.88266%0.662SS**  trans-90.124.8171.8-77-69.3000114.7R327R327-F329 PolarHBondContact O-N 3.49Å
330Q50.8Low54.8Low155 Ų155139.8 Ų139.872%0.72468%0.675SS**SBendtrans-124.3110.5164.7-67.3-62.7-21.500109.3R328 K332R328-Q330 VanDerWaalsContact C-N 3.31Å; R328-Q330 PolarHBondContact O-N 3.44Å; Q330-K332 PolarHBondContact O-N 3.04Å
331P52Low55.4Low125 Ų125144.6 Ų144.681%0.81269%0.686SS**  trans-69106.6-176.327-30.8000109.4
332K61.6Low55.7Low150 Ų150144 Ų14465%0.65269%0.687SS**  trans-99.1132.2166.6-67.7-175.2178.7-174.10108.4Q330 F334 D335Q330-K332 PolarHBondContact O-N 3.04Å; K332-F334 PolarHBondContact O-N 2.79Å; K332-D335 PolarHBondContact O-N 2.77Å
333P58.1Low55.7Low106 Ų106146 Ų14669%0.68870%0.696SS**G310 helixtrans-58134.9-178.623.7-32.3000110.1D335P333-D335 PolarHBondContact O-N 2.87Å
334F70.6Confident56Low203 Ų203144 Ų14489%0.8970%0.695SS**G310 helixtrans71.115.1178.4-48.9-74.5000117.7K332 A336K332-F334 PolarHBondContact O-N 2.79Å; F334-A336 PolarHBondContact O-N 2.87Å
335D54.5Low55.9Low109 Ų109143.1 Ų143.158%0.58371%0.709SS**G310 helixtrans58.319.8170.8-144.333000113.9R328 K332 P333 T337R328-D335 IonicContact CZ-OD1 2.91Å; R328-D335 IonicContact CZ-OD2 3.3Å; R328-D335 IonicContact NH1-OD1 2.72Å; R328-D335 PolarHBondContact NH1-OD1 3.07Å; R328-D335 IonicContact NH1-OD2 2.71Å; R328-D335 PolarHBondContact NH1-OD2 2.97Å; K332-D335 PolarHBondContact O-N 2.77Å; P333-D335 PolarHBondContact O-N 2.87Å; D335-T337 PolarHBondContact O-N 3.18Å
336A66.7Low56.2Low60 Ų60138 Ų13850%0.49670%0.698SS.*  trans-74.6103.8178.500000109.6F334F334-A336 PolarHBondContact O-N 2.87Å
337T53.9Low56.2Low86 Ų86136.9 Ų136.953%0.52871%0.707SS.*  trans-92.15.2-179.760.80000114.4R328 D335R328-T337 VanDerWaalsContact NH2-CG2 3.33Å; D335-T337 PolarHBondContact O-N 3.18Å
338S66.8Low56.6Low98 Ų98135 Ų13569%0.68570%0.7SS**SBendtrans-85.7121.8176.652.20000110.1R340S338-R340 PolarHBondContact O-N 2.74Å
339E60.1Low56.5Low152 Ų152132.9 Ų132.971%0.7170%0.7SS**  trans-62108.2164.2-74.5-178.9170.900107.4F341E339-F341 PolarHBondContact O-N 2.98Å
340R66.6Low57Low215 Ų215126.4 Ų126.481%0.81168%0.683SS**SBendtrans-62.3-24.3-178.1-165.3176.9-152.3-127.94112S338S338-R340 PolarHBondContact O-N 2.74Å
341F61.1Low57.3Low159 Ų159125.1 Ų125.170%0.69769%0.688SS**  trans-139.8107.6-178.6-57.1-69.7000109.7E339E339-F341 PolarHBondContact O-N 2.98Å
342T59.7Low57.5Low97 Ų97126.8 Ų126.860%0.59569%0.69SS**  trans-84.3112.8160.355.30000107.1Q344T342-Q344 PolarHBondContact O-N 3.03Å
343T49.5Very low56.7Low137 Ų137122.7 Ų122.784%0.8468%0.681SS**  trans-72.582.5169.652.40000108.3S345T343-S345 VanDerWaalsContact C-N 3.28Å; T343-S345 PolarHBondContact O-N 3.31Å
344Q51.7Low56.4Low155 Ų155125.4 Ų125.472%0.72468%0.679SS**  trans-71.593.9161.1-70.6-91.1-17.700105.6T342 D346T342-Q344 PolarHBondContact O-N 3.03Å; Q344-D346 PolarHBondContact O-N 3.21Å
345S47.9Very low55.3Low110 Ų110124 Ų12477%0.76968%0.68SS**  trans-74.584.9169580000107.6T343 A347T343-S345 VanDerWaalsContact C-N 3.28Å; T343-S345 PolarHBondContact O-N 3.31Å; S345-A347 PolarHBondContact O-N 3.33Å
346D53.6Low54.8Low115 Ų115124.7 Ų124.762%0.61568%0.682SS**  trans-66.4104164.6-80.8-23.3000107Q344 R348Q344-D346 PolarHBondContact O-N 3.21Å; D346-R348 HydrophobicContact CB-CG 4.33Å; D346-R348 PolarHBondContact O-N 3.19Å
347A50.3Low53.7Low106 Ų106128.2 Ų128.288%0.87669%0.693SS**  trans-65.973.3171.300000109.1S345S345-A347 PolarHBondContact O-N 3.33Å
348R57.3Low53.2Low190 Ų190132 Ų13272%0.71771%0.71SS**PPolyproline II helixtrans-85.5128.5169.7-72.5-175.3167.9-173.4-4.3107.7D346D346-R348 HydrophobicContact CB-CG 4.33Å; D346-R348 PolarHBondContact O-N 3.19Å
349P48.1Very low51.8Low61 Ų61130.7 Ų130.740%0.39671%0.712SS.*PPolyproline II helixtrans-61.5152.1-17528.4-37000110.2Y354P349-Y354 WeakPolarHBondContact CD-OH 3.07Å; P349-Y354 HydrophobicContact CG-CE1 3.73Å; P349-Y354 HydrophobicContact CG-CE2 3.91Å; P349-Y354 WeakPolarHBondContact CG-OH 3.28Å
350A55.2Low50.7Low65 Ų65131.3 Ų131.354%0.53772%0.719SS.*PPolyproline II helixtrans-51.2147.8-175.800000110.6N352 S353A350-N352 PolarHBondContact O-N 2.74Å; A350-S353 PolarHBondContact O-N 2.87Å; A350-S353 VanDerWaalsContact O-N 3.08Å; A350-S353 PolarHBondContact O-OG 3.11Å
351P58.5Low49.2Very low128 Ų128127 Ų12783%0.83172%0.718SS**THydrogen-bonded Turntrans-52.2-13.1-171.7-2632.4000116.3
352N55.2Low47.9Very low160 Ų160125.9 Ų125.986%0.85673%0.728SS**THydrogen-bonded Turntrans-108.115.9-174.9-68.545.5000114.4A350A350-N352 PolarHBondContact O-N 2.74Å
353S45.4Very low46.5Very low64 Ų64133 Ų13345%0.44874%0.743SS.*  trans-128.963.8-17553.40000114A350A350-S353 PolarHBondContact O-N 2.87Å; A350-S353 VanDerWaalsContact O-N 3.08Å; A350-S353 PolarHBondContact O-OG 3.11Å
354Y51.9Low45.9Very low164 Ų164133.9 Ų133.964%0.64374%0.742SS**  trans-131.1112.7158.4-65.5-77.9000108.7P349P349-Y354 WeakPolarHBondContact CD-OH 3.07Å; P349-Y354 HydrophobicContact CG-CE1 3.73Å; P349-Y354 HydrophobicContact CG-CE2 3.91Å; P349-Y354 WeakPolarHBondContact CG-OH 3.28Å
355N47.3Very low45.3Very low172 Ų172132.9 Ų132.992%0.9274%0.742SS**  trans-77.2137.9172.8-160.8-0.3000109.1
356I44Very low45.1Very low124 Ų124137.2 Ų137.264%0.63675%0.747SS**  trans-109133.9-164.6-71.4170.2000107.8
357D43Very low44.2Very low135 Ų135137.4 Ų137.472%0.72276%0.758SS**  trans70.5114.7155.1-59.7-15000119.8
358D44.9Very low43.8Very low164 Ų164140.9 Ų140.988%0.87776%0.756SS**  159.2125.2104.3-87.4-28000113.8
359G36.4Very low43Very low71 Ų71136.9 Ų136.973%0.73276%0.757SS**  trans89132.7143.100000121.4
360L36.3Very low42.3Very low165 Ų165137.3 Ų137.386%0.86477%0.773SS**  trans88.2103.1151.8-49.5-178.2000119.9
361T35.5Very low41.6Very low126 Ų126144.4 Ų144.477%0.77379%0.791SS**  trans18.8109.2137.658.70000118.8
362C34.6Very low40.5Very low135 Ų135144.3 Ų144.391%0.91279%0.792SS**  -164.9136.6125.2-95.10000110.4
363R29.6Very low39.7Very low245 Ų245143 Ų14393%0.92579%0.79SS**  trans-75.5118.4170.1-70.6161.370.3112.9-4.5108.7
364L36.7Very low39.6Very low156 Ų156142.7 Ų142.782%0.81780%0.797SS**  trans-163.8115.2137.3-137.5111.5000109.4
365D39.5Very low39.2Very low134 Ų134144.9 Ų144.972%0.71781%0.81SS**  trans43.1114.5140.2-59-18.1000123
366F42.8Very low38.8Very low201 Ų201140.5 Ų140.588%0.88281%0.806SS**  trans70.8108.8150.5-79-89.9000122.6
367S36.6Very low38.5Very low120 Ų120139.4 Ų139.484%0.83981%0.81SS**  171.5175.4103.458.30000112.3
368Q40.8Very low38.7Very low179 Ų179139.9 Ų139.984%0.83682%0.818SS**  trans-91.4164.8-145-60.4174.9-10.300117
369S40.7Very low38.7Very low105 Ų105136.1 Ų136.173%0.73481%0.809SS**  trans93.4109.1134.476.10000119.6
370G34.3Very low38.9Very low71 Ų71142.2 Ų142.273%0.73282%0.816SS**  101.5109.3123.200000116.5
371K40.1Very low39.1Very low213 Ų213144.9 Ų144.993%0.92681%0.814SS**  trans-127.195.1141.3-71.7-173-179.1178.50108.7
372C34.9Very low39.1Very low126 Ų126145.5 Ų145.585%0.85181%0.81SS**  trans-79.9128173.4175.90000108.5
373V39.1Very low39.2Very low132 Ų132146.3 Ų146.380%0.881%0.805SS**  trans-103.4126.6175174.10000108.9
374G42.2Very low39.4Very low59 Ų59141.5 Ų141.561%0.60880%0.798SS**SBendtrans55.6101.2150.800000119.1G376G374-G376 PolarHBondContact O-N 3.17Å
375F43Very low39.1Very low209 Ų209143.3 Ų143.392%0.91780%0.799SS**THydrogen-bonded Turntrans35.976.8160.5-154.3-101.4000116.1S377F375-S377 VanDerWaalsContact C-N 3.26Å; F375-S377 PolarHBondContact O-N 3.44Å; F375-S377 PolarHBondContact O-OG 3.25Å
376G38.9Very low38.9Very low81 Ų81145.5 Ų145.584%0.83581%0.81SS**THydrogen-bonded Turntrans65.712.2152.700000117.9G374G374-G376 PolarHBondContact O-N 3.17Å
377S39Very low38.5Very low101 Ų101142.4 Ų142.471%0.70680%0.801SS**  trans-108.9100.2-179.3-63.40000111.7F375 A379F375-S377 VanDerWaalsContact C-N 3.26Å; F375-S377 PolarHBondContact O-N 3.44Å; F375-S377 PolarHBondContact O-OG 3.25Å; S377-A379 VanDerWaalsContact C-N 3.34Å
378T45.6Very low38.1Very low145 Ų145146.3 Ų146.389%0.8980%0.803SS**  trans-90.815.8177.81.10000114K380T378-K380 PolarHBondContact O-N 3Å; T378-K380 VanDerWaalsContact O-N 3.15Å
379A45Very low37.5Very low84 Ų84141.3 Ų141.369%0.69480%0.799SS**  trans-77.7103.3176.500000110S377 R381S377-A379 VanDerWaalsContact C-N 3.34Å; A379-R381 PolarHBondContact O-N 3.06Å
380K42.2Very low36.9Very low200 Ų200145.9 Ų145.987%0.8780%0.801SS**  trans-57.5100.8172.4-165.1-177-177.3-169.80108.6T378 M382T378-K380 PolarHBondContact O-N 3Å; T378-K380 VanDerWaalsContact O-N 3.15Å; K380-M382 PolarHBondContact O-N 3.21Å
381R40.8Very low36.7Very low221 Ų221149.8 Ų149.883%0.83480%0.798SS**  trans-69.8120.3170.9-84.7-164.3-115.2-124.41.7109A379A379-R381 PolarHBondContact O-N 3.06Å
382M35.2Very low36.3Very low139 Ų139144.7 Ų144.769%0.68579%0.788SS**  trans28.3124.1155.145.6-98.7-75.600120.2K380K380-M382 PolarHBondContact O-N 3.21Å
383N36.3Very low36.2Very low152 Ų152143.3 Ų143.381%0.81378%0.781SS**  73.691.1126.5-55.7-9.2000117.2
384D32.6Very low36Very low144 Ų144144.9 Ų144.977%0.7778%0.784SS**  trans-12.6140.9131.5-62.9-30.7000115.9
385K32.2Very low36.1Very low193 Ų193145.3 Ų145.384%0.83979%0.789SS**  trans68.589.8160.4-68.7-179.8173.7-174.40115.5
386L33.9Very low35.6Very low180 Ų180144.1 Ų144.194%0.94279%0.791SS**  -155.563.7113.7-76.7-167.3000108.9
387I35.2Very low35.8Very low137 Ų137145.4 Ų145.470%0.70379%0.787SS**  trans-93.4145.2146.4-56-175.7000105.1
388F29.1Very low36Very low202 Ų202148.3 Ų148.389%0.88680%0.795SS**  trans101.489.7167.3-56.6-72.6000115.8
389G27.6Very low36.1Very low73 Ų73149.3 Ų149.375%0.75379%0.793SS**  trans178.964.8163.700000111.3
390R28.4Very low36.4Very low202 Ų202148.1 Ų148.176%0.76278%0.778SS**  84.7106.494.9-174.9-175.8-170.8-105.47.8112
391K28.9Very low37Very low153 Ų153140.1 Ų140.167%0.66575%0.752SS**  trans79.3140141.7-66.7176.4-175.8-165.70119.4
392S32.2Very low37.9Very low105 Ų105135.6 Ų135.673%0.73475%0.752SS**  trans67.6105.6152.149.10000117.3
393S32.8Very low38.6Very low98 Ų98132.9 Ų132.969%0.68576%0.759SS**  28.1120.912756.40000117.6
394D36Very low39.5Very low164 Ų164132.2 Ų132.288%0.87775%0.751SS**SBendtrans7397.4153-57.4-23.2000117.7
395G42.6Very low40.3Very low68 Ų68133.2 Ų133.270%0.70175%0.745SS**  trans90.777.313600000116.6
396L33.5Very low41.2Very low185 Ų185131 Ų13197%0.96974%0.743SS**  trans-169.475.4147.6-101.2146.2000109.3
397S42.1Very low42.1Very low107 Ų107127.4 Ų127.475%0.74873%0.73SS**  trans-134.779.117361.60000109.8
398D44.3Very low42.4Very low163 Ų163129.8 Ų129.887%0.87274%0.738SS**  trans-134.358.6172.6-82.1-33.4000111.8
399I48Very low42.6Very low165 Ų165129.4 Ų129.485%0.84674%0.736SS**  trans-136.9102.4159.1-50.1168.4000108.3
400P50.9Low43Very low60 Ų60132 Ų13239%0.3974%0.741SS.*  trans-78146.1-174.127.2-31.4000113.8Q404P400-Q404 HydrophobicContact CB-CB 3.53Å; P400-Q404 HydrophobicContact CB-CG 4.45Å
401G53.7Low43.1Very low31 Ų31131.5 Ų131.532%0.3275%0.748SS.*  trans-82174.3175.200000114.2G403 Q404G401-G403 PolarHBondContact O-N 3.42Å; G401-Q404 WeakPolarHBondContact O-CB 3.38Å; G401-Q404 PolarHBondContact O-N 3.37Å
402P60.4Low43.6Very low127 Ų127127.6 Ų127.683%0.82575%0.751SS**THydrogen-bonded Turntrans-61.2-19-167.120.8-32.2000116.4
403G50.3Low43.6Very low82 Ų82131.7 Ų131.785%0.84576%0.756SS**THydrogen-bonded Turntrans-88.8-5.9172.300000115G401G401-G403 PolarHBondContact O-N 3.42Å
404Q56Low43.8Very low137 Ų137137.5 Ų137.564%0.6476%0.764SS**  trans-103.7-0.4-176.6-72.5176.8-61.400113.3P400 G401 N406P400-Q404 HydrophobicContact CB-CB 3.53Å; P400-Q404 HydrophobicContact CB-CG 4.45Å; G401-Q404 WeakPolarHBondContact O-CB 3.38Å; G401-Q404 PolarHBondContact O-N 3.37Å; Q404-N406 VanDerWaalsContact C-N 3.34Å; Q404-N406 PolarHBondContact O-N 3.25Å
405Y49.5Very low43.6Very low165 Ų165135.2 Ų135.265%0.64776%0.756SS**  trans-71.992.8165.6-64.4-78.1000108.5P407Y405-P407 WeakPolarHBondContact O-CD 3.4Å
406N49.8Very low43.3Very low147 Ų147136.5 Ų136.579%0.78675%0.754SS**  trans-79.5109.3162.1-163.513.7000107Q404 Q408Q404-N406 VanDerWaalsContact C-N 3.34Å; Q404-N406 PolarHBondContact O-N 3.25Å; N406-Q408 PolarHBondContact O-N 3.47Å
407P52.7Low43.5Very low104 Ų104136.5 Ų136.568%0.67575%0.747SS**  trans-62.8111.6176.226.3-32.7000108.4Y405 K409Y405-P407 WeakPolarHBondContact O-CD 3.4Å; P407-K409 PolarHBondContact O-N 2.67Å
408Q41.5Very low43.1Very low187 Ų187135.8 Ų135.887%0.87475%0.747SS**  trans-55.8131160.4-80-177.9-700107.7N406 C410N406-Q408 PolarHBondContact O-N 3.47Å; Q408-C410 PolarHBondContact O-N 3.48Å; Q408-C410 VanDerWaalsContact O-N 3.14Å
409K34.7Very low42.8Very low194 Ų194137.9 Ų137.984%0.84375%0.749SS**  trans-61.7112-170.3-60173.8-178.9179.10110.3P407P407-K409 PolarHBondContact O-N 2.67Å
410C34Very low42.1Very low128 Ų128133.6 Ų133.687%0.86575%0.745SS**  trans-93.4101.9154.5-74.70000107.6Q408 G412Q408-C410 PolarHBondContact O-N 3.48Å; Q408-C410 VanDerWaalsContact O-N 3.14Å; C410-G412 PolarHBondContact O-N 3.2Å
411E32.2Very low41.8Very low191 Ų191138.7 Ų138.789%0.89377%0.768SS**  trans-63.8121.2162.6-61.5-165.3166.700108.6
412G38.1Very low41.1Very low72 Ų72143 Ų14374%0.74279%0.79SS**  trans179.483.8-178.800000112.2C410C410-G412 PolarHBondContact O-N 3.2Å
413K32.3Very low40.2Very low190 Ų190147.3 Ų147.383%0.82680%0.796SS**  trans-49.3136.8166.7-60.1165.4-177.5173.20109
414Y37.7Very low39.8Very low221 Ų221148.2 Ų148.287%0.86780%0.796SS**  169.6157.2125.4-90.6-69.5000111.6
415T31.9Very low39.3Very low115 Ų115151.7 Ų151.771%0.70681%0.809SS**  trans-102.3159.3-152.552.70000112.1
416S36.7Very low39Very low95 Ų95155.2 Ų155.266%0.66482%0.821SS**  trans97.5139.4133.489.10000120.4
417K36.1Very low38.8Very low185 Ų185157.8 Ų157.880%0.80483%0.828SS**  trans97.199.9146.6-62.8-179.5-167-1760119.3
418A33.9Very low38.9Very low92 Ų92159.7 Ų159.776%0.7683%0.831SS**  trans-31147.8144.700000116.2
419F39.1Very low38.9Very low207 Ų207156.5 Ų156.591%0.90883%0.829SS**  trans-139.9123.8150.2-95.4-87.5000109.9
420G33.9Very low39.7Very low75 Ų75154.5 Ų154.577%0.77383%0.825SS**  trans-91.6168.2-178.500000114
421I43.9Very low40.4Very low168 Ų168154.3 Ų154.386%0.86282%0.822SS**  trans-130.7144.1-178.4-64.6178.7000109.7
422P38.1Very low41.2Very low122 Ų122154.4 Ų154.479%0.79282%0.822SS**  trans-100.8168.3-148.537.6-31.9000116.3
423K42Very low42Very low216 Ų216155.2 Ų155.294%0.93982%0.816SS**  trans-95.6128.8-174.9-59.4-179.6178.6-179.50111.8
424A42.9Very low43.3Very low102 Ų102152 Ų15284%0.84382%0.818SS**  trans-126.3136.1166.500000111
425K44.1Very low44.8Very low210 Ų210146 Ų14691%0.91380%0.804SS**  trans-81140-167.4-62.3173.6177.5178.30111.6
426R44.1Very low46.7Very low239 Ų239142.9 Ų142.990%0.90279%0.786SS**  trans-122.7126.4166.8-78-175.5169.6126.4-2.4109.5
427E44.7Very low48.4Very low200 Ų200142.5 Ų142.594%0.93578%0.781SS**  trans-87.5135.9175-66.4179.2168.700109.3
428I55.5Low49.9Very low145 Ų145140.2 Ų140.274%0.74479%0.785SS**  trans-122.4110.1179.8-55.7162.6000106.4M430I428-M430 PolarHBondContact O-N 2.93Å
429S42.2Very low51.8Low119 Ų119139.5 Ų139.583%0.83279%0.787SS**PPolyproline II helixtrans-74.2119.1173.148.40000109.6
430M51.3Low53.6Low153 Ų153134 Ų13475%0.75477%0.77SS**PPolyproline II helixtrans-90.2130.1178.7-65.2-78.8-87.900109.7I428I428-M430 PolarHBondContact O-N 2.93Å
431P48Very low55.4Low123 Ų123137.7 Ų137.780%0.79976%0.762SS**PPolyproline II helixtrans-67.7134.917825.6-31.2000111.4S433P431-S433 PolarHBondContact O-N 3.29Å; P431-S433 VanDerWaalsContact O-N 3.11Å
432Q49.1Very low57.1Low193 Ų193133.4 Ų133.490%0.90274%0.741SS**  trans-68.4103.5179.8-65.6-75.3-6100109.9
433S55.5Low58.8Low89 Ų89135.4 Ų135.462%0.62274%0.737SS**  trans-67.1132.8169.5170.30000110P431 V435P431-S433 PolarHBondContact O-N 3.29Å; P431-S433 VanDerWaalsContact O-N 3.11Å; S433-V435 PolarHBondContact O-N 3.48Å; S433-V435 PolarHBondContact OG-N 3.16Å
434S59.7Low60.5Low122 Ų122127 Ų12785%0.85371%0.711SS**SBendtrans-75.86.2176.259.80000114P436S434-P436 WeakPolarHBondContact O-CD 3.49Å
435V68.8Low62.1Low96 Ų96128.7 Ų128.758%0.58270%0.7SS**SBendtrans-87.9114.4175-174.50000107.7S433S433-V435 PolarHBondContact O-N 3.48Å; S433-V435 PolarHBondContact OG-N 3.16Å
436P71.4Confident63.4Low49 Ų49121.3 Ų121.332%0.31868%0.675SS.*PPolyproline II helixtrans-63.5147178.628.5-34.4000109.8S434 T440 Y441S434-P436 WeakPolarHBondContact O-CD 3.49Å; P436-T440 HydrophobicContact CB-CG2 4.27Å; P436-Y441 HydrophobicContact CG-CE2 3.95Å
437P73.3Confident64.9Low87 Ų87115.1 Ų115.157%0.56566%0.655SS**PPolyproline II helixtrans-59151.5-176.523.3-32000111.5G439 T440P437-G439 PolarHBondContact O-N 3.28Å; P437-T440 PolarHBondContact O-N 2.91Å; P437-T440 PolarHBondContact O-OG1 2.72Å
438P67.6Low66.3Low137 Ų137109.9 Ų109.989%0.8963%0.633SS**THydrogen-bonded Turntrans-56.5118.1178.122.8-32000109.8
439G71.9Confident67.1Low77 Ų77108.9 Ų108.979%0.79463%0.634SS**THydrogen-bonded Turntrans121.6-13-176.200000115.6P437P437-G439 PolarHBondContact O-N 3.28Å
440T77.4Confident68.7Low92 Ų92108 Ų10856%0.56462%0.623SS**  trans-84-9178.5-42.40000113.8P436 P437 D442P436-T440 HydrophobicContact CB-CG2 4.27Å; P437-T440 PolarHBondContact O-N 2.91Å; P437-T440 PolarHBondContact O-OG1 2.72Å; T440-D442 PolarHBondContact O-N 2.85Å
441Y72.5Confident69.5Low153 Ų153106.9 Ų106.960%0.662%0.616SS**SBendtrans-77.1113178.3-70.2-84.1000110.6P436 F443P436-Y441 HydrophobicContact CG-CE2 3.95Å; Y441-F443 PolarHBondContact O-N 3.37Å
442D79.9Confident70.1Confident78 Ų78104.2 Ų104.242%0.41760%0.6SS.*  trans-68.8102.9169.6-173-18.2000109.2T440 G444 K445 S446T440-D442 PolarHBondContact O-N 2.85Å; D442-G444 VanDerWaalsContact C-N 3.28Å; D442-G444 PolarHBondContact O-N 3.18Å; D442-G444 PolarHBondContact OD1-N 3.39Å; D442-K445 HydrophobicContact CB-CB 4.35Å; D442-K445 HydrophobicContact CB-CD 4.2Å; D442-K445 HydrophobicContact CB-CG 4.37Å; D442-K445 PolarHBondContact O-N 2.95Å; D442-K445 PolarHBondContact OD1-N 3.49Å; D442-K445 VanDerWaalsContact OD2-CD 3.27Å; D442-K445 WeakPolarHBondContact OD2-CD 3.43Å; D442-K445 WeakPolarHBondContact OD2-CE 3.18Å; D442-K445 WeakPolarHBondContact OD2-CG 3.4Å; D442-K445 IonicContact OD2-NZ 3.31Å; D442-K445 PolarHBondContact OD2-NZ 3Å; D442-S446 PolarHBondContact O-N 3.41Å; D442-S446 PolarHBondContact O-OG 2.62Å
443F73.2Confident70.3Confident164 Ų164104.9 Ų104.972%0.71960%0.6SS**Hα-helixtrans-63.4-34.8-176.7-166.7-91.7000111.8Y441 S446 F447Y441-F443 PolarHBondContact O-N 3.37Å; F443-S446 PolarHBondContact O-N 3.49Å; F443-F447 WeakPolarHBondContact O-CB 3.27Å; F443-F447 PolarHBondContact O-N 3.19Å
444G76.6Confident70.3Confident38 Ų38112 Ų11239%0.39261%0.613SS.*Hα-helixtrans-63-49.3-179.600000111.7D442 S446 F447 D448D442-G444 VanDerWaalsContact C-N 3.28Å; D442-G444 PolarHBondContact O-N 3.18Å; D442-G444 PolarHBondContact OD1-N 3.39Å; G444-S446 VanDerWaalsContact C-N 3.32Å; G444-S446 PolarHBondContact O-N 3.42Å; G444-F447 PolarHBondContact O-N 3.35Å; G444-D448 PolarHBondContact O-N 3.38Å
445K76.7Confident70.5Confident138 Ų138112.3 Ų112.360%0.661%0.61SS**Hα-helixtrans-62.3-39.7175.9-68.8179.1-174.9127.40112.4D442 D448 V449D442-K445 HydrophobicContact CB-CB 4.35Å; D442-K445 HydrophobicContact CB-CD 4.2Å; D442-K445 HydrophobicContact CB-CG 4.37Å; D442-K445 PolarHBondContact O-N 2.95Å; D442-K445 PolarHBondContact OD1-N 3.49Å; D442-K445 VanDerWaalsContact OD2-CD 3.27Å; D442-K445 WeakPolarHBondContact OD2-CD 3.43Å; D442-K445 WeakPolarHBondContact OD2-CE 3.18Å; D442-K445 WeakPolarHBondContact OD2-CG 3.4Å; D442-K445 IonicContact OD2-NZ 3.31Å; D442-K445 PolarHBondContact OD2-NZ 3Å; K445-D448 PolarHBondContact O-N 3.1Å; K445-V449 VanDerWaalsContact O-CG2 3.24Å; K445-V449 WeakPolarHBondContact O-CG2 3.49Å; K445-V449 PolarHBondContact O-N 3.21Å
446S72.4Confident70.3Confident56 Ų56112.9 Ų112.939%0.39262%0.615SS.*Hα-helixtrans-67.5-38.8-179.7-55.20000111.7D442 F443 G444 T450D442-S446 PolarHBondContact O-N 3.41Å; D442-S446 PolarHBondContact O-OG 2.62Å; F443-S446 PolarHBondContact O-N 3.49Å; G444-S446 VanDerWaalsContact C-N 3.32Å; G444-S446 PolarHBondContact O-N 3.42Å; S446-T450 WeakPolarHBondContact O-CB 3.2Å; S446-T450 WeakPolarHBondContact O-CG2 3.39Å; S446-T450 PolarHBondContact O-N 2.71Å; S446-T450 VanDerWaalsContact O-N 3.09Å; S446-T450 PolarHBondContact O-OG1 3.13Å
447F75Confident70.3Confident108 Ų108115 Ų11547%0.47464%0.637SS.*Hα-helixtrans-65.5-46.2173.9-175.2-93.1000111.3F443 G444 V449 T450 Q451F443-F447 WeakPolarHBondContact O-CB 3.27Å; F443-F447 PolarHBondContact O-N 3.19Å; G444-F447 PolarHBondContact O-N 3.35Å; F447-V449 VanDerWaalsContact C-N 3.32Å; F447-V449 PolarHBondContact O-N 2.88Å; F447-T450 PolarHBondContact O-N 2.72Å; F447-T450 PolarHBondContact O-OG1 3.19Å; F447-Q451 HydrophobicContact CD1-CB 4.29Å; F447-Q451 HydrophobicContact CD1-CG 4.42Å; F447-Q451 HydrophobicContact CD2-CG 3.79Å; F447-Q451 HydrophobicContact CE1-CB 4Å; F447-Q451 HydrophobicContact CE1-CG 4.23Å; F447-Q451 HydrophobicContact CE2-CB 4.26Å; F447-Q451 HydrophobicContact CE2-CG 3.58Å; F447-Q451 HydrophobicContact CG-CG 4.22Å; F447-Q451 HydrophobicContact CZ-CB 3.99Å; F447-Q451 HydrophobicContact CZ-CG 3.81Å; F447-Q451 VanDerWaalsContact O-CB 3.28Å; F447-Q451 WeakPolarHBondContact O-CB 3.43Å; F447-Q451 PolarHBondContact O-N 2.94Å
448D74.4Confident70.6Confident90 Ų90116 Ų11648%0.48164%0.637SS.*Hα-helixtrans-60.4-41.2176.9-77-29.3000112.2G444 K445 T450 C452G444-D448 PolarHBondContact O-N 3.38Å; K445-D448 PolarHBondContact O-N 3.1Å; D448-T450 VanDerWaalsContact C-N 3.35Å; D448-T450 PolarHBondContact O-N 2.85Å; D448-C452 HydrophobicContact CB-CB 4.45Å; D448-C452 WeakPolarHBondContact O-CA 3.44Å; D448-C452 WeakPolarHBondContact O-CB 3.2Å; D448-C452 PolarHBondContact O-N 2.88Å; D448-C452 PolarHBondContact OD1-SG 2.93Å
449V73.3Confident71.2Confident125 Ų125111.8 Ų111.876%0.75861%0.609SS**Hα-helixtrans-66.4-37177.9170.60000112.2K445 F447K445-V449 VanDerWaalsContact O-CG2 3.24Å; K445-V449 WeakPolarHBondContact O-CG2 3.49Å; K445-V449 PolarHBondContact O-N 3.21Å; F447-V449 VanDerWaalsContact C-N 3.32Å; F447-V449 PolarHBondContact O-N 2.88Å
450T75.5Confident71.8Confident100 Ų100119.4 Ų119.461%0.61361%0.614SS**Hα-helixtrans-86-31.3-176.150.60000113.4S446 F447 D448S446-T450 WeakPolarHBondContact O-CB 3.2Å; S446-T450 WeakPolarHBondContact O-CG2 3.39Å; S446-T450 PolarHBondContact O-N 2.71Å; S446-T450 VanDerWaalsContact O-N 3.09Å; S446-T450 PolarHBondContact O-OG1 3.13Å; F447-T450 PolarHBondContact O-N 2.72Å; F447-T450 PolarHBondContact O-OG1 3.19Å; D448-T450 VanDerWaalsContact C-N 3.35Å; D448-T450 PolarHBondContact O-N 2.85Å
451Q68.4Low72.2Confident130 Ų130119.6 Ų119.661%0.60762%0.615SS**Hα-helixtrans-114.7-27.3-170.4-57.4-62-28.500113.8F447F447-Q451 HydrophobicContact CD1-CB 4.29Å; F447-Q451 HydrophobicContact CD1-CG 4.42Å; F447-Q451 HydrophobicContact CD2-CG 3.79Å; F447-Q451 HydrophobicContact CE1-CB 4Å; F447-Q451 HydrophobicContact CE1-CG 4.23Å; F447-Q451 HydrophobicContact CE2-CB 4.26Å; F447-Q451 HydrophobicContact CE2-CG 3.58Å; F447-Q451 HydrophobicContact CG-CG 4.22Å; F447-Q451 HydrophobicContact CZ-CB 3.99Å; F447-Q451 HydrophobicContact CZ-CG 3.81Å; F447-Q451 VanDerWaalsContact O-CB 3.28Å; F447-Q451 WeakPolarHBondContact O-CB 3.43Å; F447-Q451 PolarHBondContact O-N 2.94Å
452C59.7Low72.8Confident67 Ų67118.1 Ų118.145%0.45362%0.616SS.*SBendtrans-85.7136.4-177.2-66.80000111.7D448 R454D448-C452 HydrophobicContact CB-CB 4.45Å; D448-C452 WeakPolarHBondContact O-CA 3.44Å; D448-C452 WeakPolarHBondContact O-CB 3.2Å; D448-C452 PolarHBondContact O-N 2.88Å; D448-C452 PolarHBondContact OD1-SG 2.93Å; C452-R454 PolarHBondContact O-N 2.95Å
453K53.4Low72.9Confident206 Ų206119.3 Ų119.390%0.89662%0.62SS**  trans-48.3122.8-176.7-62.4175.6-178.1177.50109.8T455K453-T455 PolarHBondContact O-N 2.89Å
454R55.9Low73.3Confident238 Ų238112.7 Ų112.790%0.89860%0.598SS**  trans-30.4125.1179-66.3-177.2176.7165.8-1111.3C452 P456C452-R454 PolarHBondContact O-N 2.95Å; R454-P456 VanDerWaalsContact O-N 3.14Å
455T63Low73.6Confident130 Ų130117.9 Ų117.980%0.79861%0.605SS**PPolyproline II helixtrans-50.9123.9171.247.70000108.2K453 A457K453-T455 PolarHBondContact O-N 2.89Å; T455-A457 PolarHBondContact O-N 3.48Å
456P65.1Low73.7Confident107 Ų107118.1 Ų118.170%0.69561%0.609SS**PPolyproline II helixtrans-59.9133.4-17719.7-29000109R454R454-P456 VanDerWaalsContact O-N 3.14Å
457A72.2Confident73.9Confident93 Ų93123.2 Ų123.277%0.76962%0.619SS**PPolyproline II helixtrans-55141.5-177.900000110.7T455 P459T455-A457 PolarHBondContact O-N 3.48Å; A457-P459 WeakPolarHBondContact O-CD 3.45Å
458I79.6Confident73.9Confident109 Ų109125.1 Ų125.156%0.55962%0.623SS**PPolyproline II helixtrans-59126.5177-60.3168.7000108.3R460 R465I458-R460 PolarHBondContact O-N 3.31Å; I458-R465 HydrophobicContact CG2-CG 4Å
459P80.2Confident73.6Confident49 Ų49126 Ų12632%0.31863%0.628SS.*PPolyproline II helixtrans-55.4129.8177.1-26.334.5000111.3A457 T461A457-P459 WeakPolarHBondContact O-CD 3.45Å; P459-T461 VanDerWaalsContact C-N 3.32Å; P459-T461 PolarHBondContact O-N 3.26Å
460R84.3Confident73.5Confident237 Ų237123.8 Ų123.889%0.89462%0.617SS**SBendtrans-67.1-35.1-177.8-72-176.5166.3160.3-3.8112I458 R465I458-R460 PolarHBondContact O-N 3.31Å; R460-R465 PolarHBondContact O-NH2 3.45Å
461T85.6Confident73.1Confident95 Ų95128.8 Ų128.858%0.58363%0.631SS**SBendtrans-74.3141.5-179.3-39.90000112.2P459 E463 G464 R465P459-T461 VanDerWaalsContact C-N 3.32Å; P459-T461 PolarHBondContact O-N 3.26Å; T461-E463 VanDerWaalsContact C-N 3.32Å; T461-E463 HydrophobicContact CG2-CB 4.4Å; T461-E463 PolarHBondContact O-N 3.19Å; T461-G464 PolarHBondContact O-N 2.94Å; T461-R465 PolarHBondContact O-N 3.49Å; T461-R465 VanDerWaalsContact O-N 3.15Å
462I84.7Confident72.8Confident123 Ų123127.2 Ų127.263%0.63163%0.634SS**Hα-helixtrans-58.2-44178.1-62.8168.4000111G464 R465 Q466I462-G464 VanDerWaalsContact C-N 3.34Å; I462-G464 PolarHBondContact O-N 2.91Å; I462-R465 WeakPolarHBondContact O-CB 3.11Å; I462-R465 PolarHBondContact O-N 3.36Å; I462-R465 VanDerWaalsContact O-N 3.16Å; I462-Q466 PolarHBondContact O-N 3.24Å; I462-Q466 VanDerWaalsContact O-N 3.1Å
463E81.1Confident72.4Confident103 Ų103130.1 Ų130.148%0.48165%0.645SS.*Hα-helixtrans-62.8-39.3178.2-171178.3-168.200112.5T461 R465 Q466 R467T461-E463 VanDerWaalsContact C-N 3.32Å; T461-E463 HydrophobicContact CG2-CB 4.4Å; T461-E463 PolarHBondContact O-N 3.19Å; E463-R465 VanDerWaalsContact C-N 3.3Å; E463-R465 PolarHBondContact O-N 3.07Å; E463-Q466 PolarHBondContact O-N 3.24Å; E463-R467 WeakPolarHBondContact O-CG 3.4Å; E463-R467 PolarHBondContact O-N 3.32Å; E463-R467 IonicContact OE1-CZ 3.62Å; E463-R467 IonicContact OE1-NE 3.95Å; E463-R467 PolarHBondContact OE1-NE 2.95Å; E463-R467 IonicContact OE1-NH2 3.42Å; E463-R467 PolarHBondContact OE1-NH2 3.27Å
464G82.2Confident72.2Confident25 Ų25126.9 Ų126.926%0.25864%0.643SS.*Hα-helixtrans-64.8-33.1175.600000112.9T461 I462 R468T461-G464 PolarHBondContact O-N 2.94Å; I462-G464 VanDerWaalsContact C-N 3.34Å; I462-G464 PolarHBondContact O-N 2.91Å; G464-R468 PolarHBondContact O-N 3.39Å
465R83.2Confident71.9Confident146 Ų146119.4 Ų119.455%0.55163%0.632SS**Hα-helixtrans-68.8-40.7172.7-84.5-174.3-105.9-178.9-2.3112.3I458 R460 T461 I462 E463 R468I458-R465 HydrophobicContact CG2-CG 4Å; R460-R465 PolarHBondContact O-NH2 3.45Å; T461-R465 PolarHBondContact O-N 3.49Å; T461-R465 VanDerWaalsContact O-N 3.15Å; I462-R465 WeakPolarHBondContact O-CB 3.11Å; I462-R465 PolarHBondContact O-N 3.36Å; I462-R465 VanDerWaalsContact O-N 3.16Å; E463-R465 VanDerWaalsContact C-N 3.3Å; E463-R465 PolarHBondContact O-N 3.07Å; R465-R468 WeakPolarHBondContact O-CB 3.03Å; R465-R468 PolarHBondContact O-N 3.07Å
466Q79.1Confident71Confident144 Ų144122.2 Ų122.267%0.67364%0.636SS**Hα-helixtrans-65.6-38.7177.3-70.2179.8-1.300112.1I462 E463 R468I462-Q466 PolarHBondContact O-N 3.24Å; I462-Q466 VanDerWaalsContact O-N 3.1Å; E463-Q466 PolarHBondContact O-N 3.24Å; Q466-R468 VanDerWaalsContact C-N 3.34Å; Q466-R468 PolarHBondContact O-N 3.39Å
467R77.2Confident70.6Confident162 Ų162127.5 Ų127.561%0.61164%0.642SS**Hα-helixtrans-79.5-10-178.1-65.8-177.7-175.4-156.82.5114.9E463 N469 C470E463-R467 WeakPolarHBondContact O-CG 3.4Å; E463-R467 PolarHBondContact O-N 3.32Å; E463-R467 IonicContact OE1-CZ 3.62Å; E463-R467 IonicContact OE1-NE 3.95Å; E463-R467 PolarHBondContact OE1-NE 2.95Å; E463-R467 IonicContact OE1-NH2 3.42Å; E463-R467 PolarHBondContact OE1-NH2 3.27Å; R467-N469 PolarHBondContact O-N 3.38Å; R467-C470 PolarHBondContact O-N 3.44Å
468R73.7Confident69.8Low149 Ų149131.9 Ų131.956%0.56264%0.644SS**THydrogen-bonded Turntrans-54.1-31.6-173-171.7-179178.3-163.1-0.7113.5G464 R465 Q466G464-R468 PolarHBondContact O-N 3.39Å; R465-R468 WeakPolarHBondContact O-CB 3.03Å; R465-R468 PolarHBondContact O-N 3.07Å; Q466-R468 VanDerWaalsContact C-N 3.34Å; Q466-R468 PolarHBondContact O-N 3.39Å
469N69.3Low67.8Low109 Ų109130 Ų13058%0.58365%0.651SS**THydrogen-bonded Turntrans-109.5-0.2-177.9-61.4-8.7000113.5R467 F471 S472 N473R467-N469 PolarHBondContact O-N 3.38Å; N469-F471 PolarHBondContact O-N 3.29Å; N469-S472 PolarHBondContact O-N 3.32Å; N469-S472 VanDerWaalsContact O-N 3.16Å; N469-N473 PolarHBondContact O-N 3.36Å
470C70Confident66Low78 Ų78138.8 Ų138.853%0.52768%0.678SS.*THydrogen-bonded Turntrans-66-27.2-175.4-70.70000113.1R467 S472 N473R467-C470 PolarHBondContact O-N 3.44Å; C470-S472 PolarHBondContact O-N 2.94Å; C470-N473 PolarHBondContact O-N 3.49Å
471F67.8Low63.4Low205 Ų205134.3 Ų134.390%0.89967%0.667SS**THydrogen-bonded Turntrans-66.8-24.1177.7-170.3-100.2000112.8N469N469-F471 PolarHBondContact O-N 3.29Å
472S62.3Low60.9Low97 Ų97139.5 Ų139.568%0.67868%0.682SS**THydrogen-bonded Turntrans-98.3-10.9-178.6-59.60000114.1N469 C470 T474N469-S472 PolarHBondContact O-N 3.32Å; N469-S472 VanDerWaalsContact O-N 3.16Å; C470-S472 PolarHBondContact O-N 2.94Å; S472-T474 PolarHBondContact O-N 2.81Å
473N51.8Low58.3Low128 Ų128141.6 Ų141.668%0.68469%0.689SS**  trans-92.797.5176.4-78.3-7.2000110N469 C470 A475N469-N473 PolarHBondContact O-N 3.36Å; C470-N473 PolarHBondContact O-N 3.49Å; N473-A475 PolarHBondContact O-N 2.87Å
474T47.4Very low56.3Low138 Ų138144.7 Ų144.785%0.84771%0.708SS**  trans-67.394.7165.348.10000109.2S472 E476S472-T474 PolarHBondContact O-N 2.81Å; T474-E476 PolarHBondContact O-N 3.41Å
475A49.7Very low53.9Low81 Ų81146.9 Ų146.967%0.66973%0.73SS**  trans-59.5132.816900000109.8N473 R477N473-A475 PolarHBondContact O-N 2.87Å; A475-R477 PolarHBondContact O-N 2.9Å
476E45.7Very low51.5Low189 Ų189146.5 Ų146.588%0.88375%0.747SS**  trans-58.6105.2175.7-73.1-175.2163.700109.6T474 F478T474-E476 PolarHBondContact O-N 3.41Å; E476-F478 VanDerWaalsContact C-N 3.31Å; E476-F478 PolarHBondContact O-N 3.31Å
477R55.5Low49.4Very low218 Ų218147.7 Ų147.782%0.82375%0.75SS**  trans-85-0.9-169.2-144.5179-80.6-103.54.5114A475A475-R477 PolarHBondContact O-N 2.9Å
478F55.2Low47.4Very low185 Ų185146.8 Ų146.881%0.81176%0.757SS**  trans-138.391.3-177.6-58.3-73000110.5E476E476-F478 VanDerWaalsContact C-N 3.31Å; E476-F478 PolarHBondContact O-N 3.31Å
479G37.5Very low46.5Very low69 Ų69144.6 Ų144.671%0.71176%0.762SS**  trans-63.2138.1170.900000111.1H481G479-H481 PolarHBondContact O-N 2.93Å
480R41.9Very low45.6Very low234 Ų234147 Ų14788%0.88378%0.775SS**SBendtrans-7139.6-175.3-71.8-121.8-66.6-139.8-2.3115.5
481H30Very low44.2Very low143 Ų143150.6 Ų150.666%0.66279%0.786SS**  trans-152.491.1173.4-90.5-81.9000111.5G479G479-H481 PolarHBondContact O-N 2.93Å
482F33.3Very low42.7Very low203 Ų203146.5 Ų146.589%0.8978%0.78SS**  trans-139.9100.7147.2-86.1-74.2000108.4
483E30.7Very low41.2Very low168 Ų168143.8 Ų143.879%0.78577%0.767SS**  trans-8497.1169.8-66.7173.8171.800108.3
484L38.2Very low40.8Very low168 Ų168147.7 Ų147.788%0.8878%0.778SS**  trans-145.690.6162.8-71.7173.4000104.7
485G31.7Very low40.4Very low70 Ų70148 Ų14872%0.72277%0.77SS**  137.1161.782.300000107.9
486P34.4Very low39.7Very low139 Ų139150.1 Ų150.190%0.90376%0.761SS**PPolyproline II helixtrans-82.3158.1-151.22.313.8000115.4
487K35.1Very low39.1Very low168 Ų168148.8 Ų148.873%0.7375%0.753SS**PPolyproline II helixtrans-74.1127.2-179.2-65.3164.7174.9169.10112
488D34.3Very low38.4Very low144 Ų144141.5 Ų141.577%0.7774%0.735SS**PPolyproline II helixtrans-84.4125.8150.8-93-32.8000109.7
489P54.2Low37.3Very low103 Ų103138.7 Ų138.767%0.66972%0.723SS**THydrogen-bonded Turntrans-79.8-9.3-178.228.6-32.2000115.6
490D51.2Low37.5Very low159 Ų159140.2 Ų140.285%0.8571%0.714SS**THydrogen-bonded Turntrans-98.26.4-171.4-81.4-10.4000116
491M40Very low37.3Very low153 Ų153132.6 Ų132.675%0.75470%0.695SS**  trans-119.597.4176.4-165.8159.865.400112.3G493M491-G493 VanDerWaalsContact C-N 3.25Å; M491-G493 PolarHBondContact O-N 2.91Å
492P36.7Very low37.9Very low120 Ų120129.3 Ų129.378%0.77969%0.689SS**  trans-78.474.5176.732.2-32.6000110.5
493G31.9Very low37.9Very low39 Ų39126.6 Ų126.640%0.40268%0.677SS.*  trans-83.5156.8170.100000112.5M491 Q495 Y496M491-G493 VanDerWaalsContact C-N 3.25Å; M491-G493 PolarHBondContact O-N 2.91Å; G493-Q495 PolarHBondContact O-N 3.2Å; G493-Y496 WeakPolarHBondContact O-CD2 3Å; G493-Y496 PolarHBondContact O-N 3.03Å
494K42.9Very low38.4Very low211 Ų211124.3 Ų124.392%0.91767%0.669SS**THydrogen-bonded Turntrans-57.39.3-168-63.8-171.7177.9-169.20118.3
495Q39.1Very low38.4Very low143 Ų143121.5 Ų121.567%0.66865%0.654SS**THydrogen-bonded Turntrans-86.2-5.4174-69.1-95.6-18.300113.4G493 F497 S498G493-Q495 PolarHBondContact O-N 3.2Å; Q495-F497 VanDerWaalsContact C-N 3.31Å; Q495-F497 PolarHBondContact O-N 3.12Å; Q495-S498 PolarHBondContact O-N 3.41Å; Q495-S498 PolarHBondContact O-OG 2.75Å
496Y33.5Very low38.6Very low126 Ų126120.8 Ų120.849%0.49464%0.638SS.*Hα-helixtrans-70.7-20.3176.9-85.1-90.3000114.5G493 I500G493-Y496 WeakPolarHBondContact O-CD2 3Å; G493-Y496 PolarHBondContact O-N 3.03Å; Y496-I500 WeakPolarHBondContact O-CG1 3.45Å
497F34.6Very low38.6Very low161 Ų161119.9 Ų119.971%0.70663%0.625SS**Hα-helixtrans-77.4-32.1175.8-80.1-82.4000113Q495 C501Q495-F497 VanDerWaalsContact C-N 3.31Å; Q495-F497 PolarHBondContact O-N 3.12Å; F497-C501 PolarHBondContact O-N 2.59Å; F497-C501 PolarHBondContact O-SG 2.95Å
498S39.5Very low38.7Very low65 Ų65117.6 Ų117.646%0.45563%0.625SS.*Hα-helixtrans-74.9-31.3-178.974.50000112.8Q495 C501 S502Q495-S498 PolarHBondContact O-N 3.41Å; Q495-S498 PolarHBondContact O-OG 2.75Å; S498-C501 PolarHBondContact O-N 3.17Å; S498-S502 WeakPolarHBondContact O-CB 3.46Å; S498-S502 PolarHBondContact O-N 2.94Å
499K33.7Very low38.9Very low126 Ų126116.5 Ų116.555%0.54862%0.619SS.*Hα-helixtrans-72.1-33.3176.1-74.1-178-178.8170.60112.7K503K499-K503 WeakPolarHBondContact O-CB 3.48Å; K499-K503 PolarHBondContact O-N 3.12Å
500I39.9Very low37.6Very low101 Ų101119.8 Ų119.852%0.51862%0.623SS.*Hα-helixtrans-66.8-44.1174.1-66.6169.1000109.8Y496 L504Y496-I500 WeakPolarHBondContact O-CG1 3.45Å; I500-L504 HydrophobicContact CG2-CD1 3.98Å; I500-L504 WeakPolarHBondContact O-CB 3.04Å; I500-L504 PolarHBondContact O-N 2.94Å; I500-L504 VanDerWaalsContact O-N 3.13Å
501C38.9Very low36.3Very low74 Ų74117.1 Ų117.150%0.562%0.616SS.*Hα-helixtrans-64.3-45.6176.4-67.10000112.2F497 S498 K503 I505F497-C501 PolarHBondContact O-N 2.59Å; F497-C501 PolarHBondContact O-SG 2.95Å; S498-C501 PolarHBondContact O-N 3.17Å; C501-K503 PolarHBondContact O-N 3.03Å; C501-I505 WeakPolarHBondContact O-CB 3.31Å; C501-I505 VanDerWaalsContact O-CD1 3.27Å; C501-I505 WeakPolarHBondContact O-CD1 3.42Å; C501-I505 WeakPolarHBondContact O-CG1 3.49Å; C501-I505 PolarHBondContact O-N 2.81Å; C501-I505 VanDerWaalsContact O-N 3.11Å
502S41.9Very low35.7Very low75 Ų75119.1 Ų119.152%0.52462%0.621SS.*Hα-helixtrans-68.8-34-178.8174.40000113.4S498 I505 S506S498-S502 WeakPolarHBondContact O-CB 3.46Å; S498-S502 PolarHBondContact O-N 2.94Å; S502-I505 PolarHBondContact O-N 3.28Å; S502-S506 WeakPolarHBondContact O-CB 3.18Å; S502-S506 PolarHBondContact O-N 3.44Å; S502-S506 PolarHBondContact O-OG 2.6Å
503K33.7Very low35.3Very low146 Ų146119.3 Ų119.364%0.63562%0.622SS**Hα-helixtrans-79.2-31.3-178.4-148.6174.3-169.1-174.40112.4K499 C501 N507K499-K503 WeakPolarHBondContact O-CB 3.48Å; K499-K503 PolarHBondContact O-N 3.12Å; C501-K503 PolarHBondContact O-N 3.03Å; K503-N507 WeakPolarHBondContact O-CB 3.18Å; K503-N507 PolarHBondContact O-N 3Å
504L40.3Very low35Very low120 Ų120126.2 Ų126.263%0.62864%0.644SS**Hα-helixtrans-67.1-38.5168.6-83.5163.1000111.4I500 V508I500-L504 HydrophobicContact CG2-CD1 3.98Å; I500-L504 WeakPolarHBondContact O-CB 3.04Å; I500-L504 PolarHBondContact O-N 2.94Å; I500-L504 VanDerWaalsContact O-N 3.13Å; L504-V508 WeakPolarHBondContact O-CG2 3.06Å
505I38.9Very low33.9Very low109 Ų109123.7 Ų123.756%0.55964%0.64SS**Hα-helixtrans-74.6-37.2179.1-63.9164.1000111.5C501 S502 L509C501-I505 WeakPolarHBondContact O-CB 3.31Å; C501-I505 VanDerWaalsContact O-CD1 3.27Å; C501-I505 WeakPolarHBondContact O-CD1 3.42Å; C501-I505 WeakPolarHBondContact O-CG1 3.49Å; C501-I505 PolarHBondContact O-N 2.81Å; C501-I505 VanDerWaalsContact O-N 3.11Å; S502-I505 PolarHBondContact O-N 3.28Å; I505-L509 HydrophobicContact CG2-CD1 4.32Å; I505-L509 PolarHBondContact O-N 3.46Å
506S35.4Very low33.3Very low55 Ų55122.7 Ų122.739%0.38565%0.648SS.*Hα-helixtrans-75.8-33.2-178.273.90000114S502 V508 L509 F510S502-S506 WeakPolarHBondContact O-CB 3.18Å; S502-S506 PolarHBondContact O-N 3.44Å; S502-S506 PolarHBondContact O-OG 2.6Å; S506-V508 PolarHBondContact O-N 2.92Å; S506-L509 PolarHBondContact O-N 3.42Å; S506-F510 PolarHBondContact O-N 2.91Å
507N34.7Very low32.8Very low119 Ų119122.7 Ų122.764%0.63666%0.662SS**Hα-helixtrans-72-20.1177.7-75.8-0.7000112.6K503K503-N507 WeakPolarHBondContact O-CB 3.18Å; K503-N507 PolarHBondContact O-N 3Å
508V37.9Very low32.4Very low121 Ų121122 Ų12273%0.73367%0.67SS**Hα-helixtrans-84-27.3175.11760000111.8L504 S506L504-V508 WeakPolarHBondContact O-CG2 3.06Å; S506-V508 PolarHBondContact O-N 2.92Å
509L38.1Very low31.6Very low121 Ų121128 Ų12863%0.63469%0.688SS**Hα-helixtrans-100.3-8.4-171.3-99.6133.2000116.5I505 S506I505-L509 HydrophobicContact CG2-CD1 4.32Å; I505-L509 PolarHBondContact O-N 3.46Å; S506-L509 PolarHBondContact O-N 3.42Å
510F26.7Very low31.2Very low171 Ų171127.5 Ų127.575%0.7570%0.696SS**SBendtrans-141.876173.1-72.7-80.2000113.8S506S506-F510 PolarHBondContact O-N 2.91Å
511S24.1Very low30.6Very low103 Ų103130.8 Ų130.872%0.7271%0.714SS**  -161.2121.1129.658.10000109.2
512K26.8Very low30.1Very low196 Ų196136 Ų13685%0.85273%0.729SS**  trans-51.3149.7158.8-73.2-180178178.10109.5Q514K512-Q514 PolarHBondContact O-N 3.02Å
513P28.8Very low29.3Very low124 Ų124141 Ų14181%0.80574%0.744SS**  trans-73125.8-165.129.7-34.4000111.4
514Q25Very low29.3Very low183 Ų183142.7 Ų142.786%0.85576%0.759SS**  trans-145114.6146.9-96.1-71.9-13.100108.5K512K512-Q514 PolarHBondContact O-N 3.02Å
515L21.4Very low28.8Very low159 Ų159146.6 Ų146.683%0.83277%0.77SS**  trans-26.1127.6172.4-146.176.6000116.8
516S24.8Very low28.7Very low121 Ų121144.9 Ų144.985%0.84677%0.768SS**  -168.7143.7129.248.90000112.6
517V23Very low28.9Very low127 Ų127147.1 Ų147.177%0.7778%0.784SS**  trans-93.3128.8-168.3170.70000110.2
518V27.6Very low29.4Very low146 Ų146146 Ų14689%0.88578%0.782SS**  trans-137.8146.1155.4-176.80000110.2
519K22.9Very low29.4Very low190 Ų190145.4 Ų145.483%0.82677%0.774SS**  trans-77.2160.8-150.5-69.2167.1173.5173.60115.8
520T24.7Very low29.7Very low117 Ų117146.4 Ų146.472%0.71877%0.774SS**  trans-55142.2174.753.30000115.2
521D28Very low30.7Very low169 Ų169142 Ų14290%0.90476%0.761SS**  trans-131.5146.7142-90.9-35.7000111
522K26.5Very low31.4Very low185 Ų185142.1 Ų142.180%0.80475%0.753SS**  trans-90.1152.3-159.1-63.7166178.1171.50111.6
523Q25.7Very low32.1Very low180 Ų180139.5 Ų139.584%0.84174%0.739SS**  trans87.489.3160.1-48.7-157.722.900118.1
524L33.5Very low32.7Very low181 Ų181139.7 Ų139.795%0.94873%0.728SS**  -153.6101.1115.7-134.890000108.3
525K29.9Very low33.3Very low201 Ų201135.8 Ų135.887%0.87471%0.712SS**  trans-93.9109.5176.8-69.1172.3174.7178.80107.8
526S36.7Very low34Very low74 Ų74134.1 Ų134.152%0.51770%0.7SS.*  trans158.381.9142.7610000110.1T528S526-T528 PolarHBondContact O-N 3.32Å
527S40.3Very low34.7Very low102 Ų102132.8 Ų132.871%0.71368%0.683SS**THydrogen-bonded Turntrans-61-11.6176.7-166.30000113.8D529S527-D529 PolarHBondContact O-N 3.07Å
528T44.2Very low35.4Very low96 Ų96132.1 Ų132.159%0.58968%0.679SS**Hα-helixtrans-69.6-30.5-17526.10000114.3S526 N532S526-T528 PolarHBondContact O-N 3.32Å; T528-N532 PolarHBondContact O-ND2 2.88Å
529D38Very low35.9Very low108 Ų108130.6 Ų130.658%0.57867%0.67SS**Hα-helixtrans-77.1-31.2-175.5-60.9-31.8000112.3S527 N532 Y533S527-D529 PolarHBondContact O-N 3.07Å; D529-N532 PolarHBondContact O-N 3.15Å; D529-Y533 PolarHBondContact O-N 2.93Å
530F44.8Very low36.4Very low141 Ų141129.3 Ų129.362%0.61866%0.664SS**Hα-helixtrans-72.7-34.7-179.1-161.5-94.3000112.5N532 Y533 F534F530-N532 VanDerWaalsContact C-N 3.35Å; F530-Y533 PolarHBondContact O-N 2.96Å; F530-F534 HydrophobicContact CE1-CD2 4.26Å; F530-F534 PolarHBondContact O-N 3.44Å; F530-F534 VanDerWaalsContact O-N 3.15Å
531V47Very low36.9Very low79 Ų79131.9 Ų131.948%0.47967%0.668SS.*Hα-helixtrans-67.5-37.2176.7179.80000111F534 N535V531-F534 PolarHBondContact O-N 3.4Å; V531-N535 PolarHBondContact O-N 3.27Å; V531-N535 VanDerWaalsContact O-N 3.13Å; V531-N535 PolarHBondContact O-ND2 2.56Å
532N40.4Very low37.1Very low106 Ų106127.6 Ų127.657%0.56766%0.664SS**Hα-helixtrans-67.2-38.4176.9-72.4-21.9000112.3T528 D529 F530 N535 Q536T528-N532 PolarHBondContact O-ND2 2.88Å; D529-N532 PolarHBondContact O-N 3.15Å; F530-N532 VanDerWaalsContact C-N 3.35Å; N532-N535 PolarHBondContact O-N 2.97Å; N532-Q536 PolarHBondContact O-N 3.18Å
533Y40.4Very low37.5Very low140 Ų140126.4 Ų126.455%0.54967%0.665SS.*Hα-helixtrans-65.3-39.7175.4-172.7-104.9000112.1D529 F530 N535 Q536 I537D529-Y533 PolarHBondContact O-N 2.93Å; F530-Y533 PolarHBondContact O-N 2.96Å; Y533-N535 PolarHBondContact O-N 3.33Å; Y533-Q536 PolarHBondContact O-N 3.35Å; Y533-I537 HydrophobicContact CD1-CD1 4.02Å; Y533-I537 HydrophobicContact CE1-CD1 3.5Å; Y533-I537 HydrophobicContact CE1-CG1 4.47Å; Y533-I537 PolarHBondContact O-N 3.19Å
534F41.1Very low37.9Very low129 Ų129124 Ų12457%0.56666%0.658SS**Hα-helixtrans-66.5-38.4178.8-141.5-86.1000112.4F530 V531 Q536 I537F530-F534 HydrophobicContact CE1-CD2 4.26Å; F530-F534 PolarHBondContact O-N 3.44Å; F530-F534 VanDerWaalsContact O-N 3.15Å; V531-F534 PolarHBondContact O-N 3.4Å; F534-Q536 VanDerWaalsContact C-N 3.29Å; F534-Q536 PolarHBondContact O-N 3.37Å; F534-I537 PolarHBondContact O-N 3.36Å
535N37.5Very low38.2Very low100 Ų100119 Ų11954%0.53564%0.638SS.*Hα-helixtrans-67.7-28.1176.4-75-30.7000113V531 N532 Y533 T539V531-N535 PolarHBondContact O-N 3.27Å; V531-N535 VanDerWaalsContact O-N 3.13Å; V531-N535 PolarHBondContact O-ND2 2.56Å; N532-N535 PolarHBondContact O-N 2.97Å; Y533-N535 PolarHBondContact O-N 3.33Å; N535-T539 PolarHBondContact O-N 3.5Å; N535-T539 PolarHBondContact O-OG1 3.42Å
536Q37.9Very low38.7Very low125 Ų125113.4 Ų113.458%0.58463%0.629SS**Hα-helixtrans-73.5-31.4179.1-154177.72800112.9N532 Y533 F534 T539N532-Q536 PolarHBondContact O-N 3.18Å; Y533-Q536 PolarHBondContact O-N 3.35Å; F534-Q536 VanDerWaalsContact C-N 3.29Å; F534-Q536 PolarHBondContact O-N 3.37Å; Q536-T539 PolarHBondContact O-OG1 3.39Å
537I38.2Very low39Very low92 Ų92115.5 Ų115.547%0.47264%0.639SS.*Hα-helixtrans-73.5-36.1178.1-65.2174.1000111Y533 F534 T539 K540Y533-I537 HydrophobicContact CD1-CD1 4.02Å; Y533-I537 HydrophobicContact CE1-CD1 3.5Å; Y533-I537 HydrophobicContact CE1-CG1 4.47Å; Y533-I537 PolarHBondContact O-N 3.19Å; F534-I537 PolarHBondContact O-N 3.36Å; I537-T539 VanDerWaalsContact C-N 3.31Å; I537-T539 PolarHBondContact O-N 3.34Å; I537-K540 PolarHBondContact O-N 3.48Å
538V38.9Very low39.3Very low113 Ų113114 Ų11469%0.68563%0.625SS**Hα-helixtrans-72.7-25.1-179.8179.50000112.2
539T36.3Very low39.2Very low114 Ų114112 Ų11270%0.69962%0.618SS**Hα-helixtrans-86.9-11.217825.20000114.7N535 Q536 I537N535-T539 PolarHBondContact O-N 3.5Å; N535-T539 PolarHBondContact O-OG1 3.42Å; Q536-T539 PolarHBondContact O-OG1 3.39Å; I537-T539 VanDerWaalsContact C-N 3.31Å; I537-T539 PolarHBondContact O-N 3.34Å
540K35.1Very low39.1Very low164 Ų164113.7 Ų113.771%0.71363%0.628SS**SBendtrans-130106.9175.8-70.1-169.6178.3-176.40110.3I537I537-K540 PolarHBondContact O-N 3.48Å
541Q33.9Very low38.7Very low171 Ų171110 Ų11080%0.79962%0.619SS**  trans93.588.6172.5-51.7-176.10.600115.1L543Q541-L543 PolarHBondContact O-N 3.47Å
542G33.1Very low38.4Very low78 Ų78112.8 Ų112.880%0.80464%0.636SS**  trans-65.3110.8158.400000110.4
543L34.7Very low38.2Very low161 Ų161113.3 Ų113.384%0.84364%0.638SS**  trans-11577.7160.5-76.2167.2000107.5Q541Q541-L543 PolarHBondContact O-N 3.47Å
544L34.1Very low38.2Very low130 Ų130115.5 Ų115.568%0.68165%0.65SS**  trans-81.3136.7165.4-73.3167.5000108.4V548L544-V548 HydrophobicContact CB-CB 4.33Å; L544-V548 HydrophobicContact CD1-CG1 4.11Å; L544-V548 HydrophobicContact CD2-CG1 4.38Å
545S39.3Very low38.2Very low76 Ų76115.5 Ų115.553%0.53166%0.661SS.*  trans-45.5143.6170.7171.10000111.6T547 V548S545-T547 PolarHBondContact O-N 3.13Å; S545-T547 PolarHBondContact OG-OG1 3.22Å; S545-T547 VanDerWaalsContact OG-OG1 3.1Å; S545-V548 PolarHBondContact O-N 3.03Å
546A41.6Very low38.1Very low83 Ų83115.8 Ų115.869%0.68667%0.667SS**Hα-helixtrans-50.9-26.4-178.800000113.9V548A546-V548 PolarHBondContact O-N 3Å
547T42.6Very low38Very low117 Ų117117.2 Ų117.272%0.71867%0.671SS**Hα-helixtrans-73.3-19.9177.950.20000114.8S545S545-T547 PolarHBondContact O-N 3.13Å; S545-T547 PolarHBondContact OG-OG1 3.22Å; S545-T547 VanDerWaalsContact OG-OG1 3.1Å
548V45.6Very low38Very low70 Ų70120 Ų12042%0.42469%0.687SS.*Hα-helixtrans-93.7-20179.4-1780000111.6L544 S545 A546 D550 S551L544-V548 HydrophobicContact CB-CB 4.33Å; L544-V548 HydrophobicContact CD1-CG1 4.11Å; L544-V548 HydrophobicContact CD2-CG1 4.38Å; S545-V548 PolarHBondContact O-N 3.03Å; A546-V548 PolarHBondContact O-N 3Å; V548-D550 VanDerWaalsContact C-N 3.28Å; V548-D550 PolarHBondContact O-N 3.47Å; V548-S551 PolarHBondContact O-N 2.75Å; V548-S551 PolarHBondContact O-OG 2.73Å
549A41.9Very low38Very low55 Ų55121 Ų12146%0.45569%0.693SS.*Hα-helixtrans-64.3-29.7179.900000113.5
550D37.7Very low38.1Very low144 Ų144121.1 Ų121.177%0.7769%0.694SS**THydrogen-bonded Turntrans-89.94.3-174.6-75.3-13.9000114.8V548 V552V548-D550 VanDerWaalsContact C-N 3.28Å; V548-D550 PolarHBondContact O-N 3.47Å; D550-V552 PolarHBondContact O-N 2.98Å
551S36.4Very low38Very low64 Ų64120.1 Ų120.145%0.44870%0.696SS.*  trans-80.4111.2167.966.40000109.8V548 L553V548-S551 PolarHBondContact O-N 2.75Å; V548-S551 PolarHBondContact O-OG 2.73Å; S551-L553 PolarHBondContact O-N 3.08Å
552V39.3Very low37.9Very low136 Ų136119.8 Ų119.882%0.82470%0.699SS**SBendtrans-67.259175.5-176.30000110.6D550D550-V552 PolarHBondContact O-N 2.98Å
553L36.4Very low37.9Very low117 Ų117122.4 Ų122.461%0.61370%0.695SS**  trans-121.817.9173.7-76.1172.9000112S551 T555S551-L553 PolarHBondContact O-N 3.08Å; L553-T555 VanDerWaalsContact C-N 3.3Å; L553-T555 PolarHBondContact O-N 2.84Å
554K40.4Very low38.3Very low186 Ų186119.9 Ų119.981%0.80969%0.691SS**THydrogen-bonded Turntrans-803.7177.4-83-173.3178178.80115.6
555T41.3Very low38.5Very low129 Ų129122.2 Ų122.279%0.79170%0.698SS**THydrogen-bonded Turntrans-117.2-0.9178.835.10000115.9L553L553-T555 VanDerWaalsContact C-N 3.3Å; L553-T555 PolarHBondContact O-N 2.84Å
556T36.1Very low38.3Very low106 Ų106123.3 Ų123.365%0.6571%0.705SS**THydrogen-bonded Turntrans-128.2-0.2-176.458.60000116.8
557F35.1Very low37.7Very low156 Ų156124.3 Ų124.368%0.68471%0.707SS**SBendtrans-107.82.4-174.2-160.8-105000117.2
558N37.8Very low37.2Very low149 Ų149125.9 Ų125.980%0.79771%0.711SS**SBendtrans-110.622.6-177.3-80.8-7.1000115.8
559V40.1Very low36.4Very low134 Ų134131.8 Ų131.881%0.81273%0.731SS**SBendtrans-98.9-7.1179.7-173.30000113.8
560T38.7Very low35.8Very low118 Ų118140.7 Ų140.772%0.72475%0.753SS**SBendtrans-118.819.5-175.2550000115.9
561L32.4Very low35.3Very low142 Ų142139.2 Ų139.274%0.74375%0.753SS**  trans-121.499.9167.4-68176.7000109.3N563L561-N563 PolarHBondContact O-N 3.01Å
562D32.2Very low34.9Very low164 Ų164143.5 Ų143.588%0.87777%0.771SS**  trans-60.2101.5165.9-94.3-23.7000109S564D562-S564 PolarHBondContact O-N 3Å
563N33.3Very low34.5Very low133 Ų133146.2 Ų146.271%0.71177%0.774SS**  trans-80.395.5164.7-104-24.8000107.8L561 H565L561-N563 PolarHBondContact O-N 3.01Å; N563-H565 PolarHBondContact O-N 2.98Å
564S41.8Very low34.3Very low108 Ų108145.5 Ų145.576%0.75578%0.779SS**THydrogen-bonded Turntrans-69.717.4-179.454.20000115.4D562D562-S564 PolarHBondContact O-N 3Å
565H39.5Very low33.9Very low179 Ų179142.9 Ų142.983%0.82978%0.779SS**THydrogen-bonded Turntrans-138.219.1-179.6-89.1-64000116.9N563N563-H565 PolarHBondContact O-N 2.98Å
566S34Very low33.3Very low99 Ų99142.3 Ų142.369%0.69278%0.775SS**  trans-109.759.5171.469.60000113.5N568S566-N568 PolarHBondContact O-N 3.31Å
567S30Very low33Very low104 Ų104143.4 Ų143.473%0.72778%0.781SS**  trans-85.194.7158.853.30000109.1
568N32.3Very low32.6Very low150 Ų150144.9 Ų144.980%0.80279%0.787SS**  trans-138.594160.4-91.1-34.2000109.9S566S566-N568 PolarHBondContact O-N 3.31Å
569K28Very low32.6Very low194 Ų194149 Ų14984%0.84381%0.807SS**  trans-60125165.3-64.2172.9174.9-179.20109.4
570W29.8Very low32.2Very low243 Ų243149.8 Ų149.892%0.9281%0.807SS**  trans-141.569.7151.3-71.191.4000107.2
571C26.7Very low31.9Very low112 Ų112151.4 Ų151.476%0.75781%0.811SS**  trans-113145.6154.1-72.10000106.2
572D27Very low31.9Very low154 Ų154151.9 Ų151.982%0.82482%0.815SS**  trans92.580.2175.7-52.5-15.1000115.2
573E32.1Very low31.9Very low193 Ų193151.2 Ų151.290%0.90281%0.811SS**  trans-113.7105.4130.9-86-171.5167.100108.8V575E573-V575 PolarHBondContact O-N 3.38Å
574S32.8Very low31.8Very low102 Ų102152.4 Ų152.471%0.71382%0.817SS**  trans-61.2117.217137.40000110.9V576S574-V576 PolarHBondContact O-N 3.14Å
575V30.9Very low31.1Very low132 Ų132155.3 Ų155.380%0.882%0.821SS**  trans-8191159.4178.80000107.2E573 V577E573-V575 PolarHBondContact O-N 3.38Å; V575-V577 HydrophobicContact CG1-CG2 3.99Å
576V29.7Very low30.5Very low116 Ų116153.6 Ų153.670%0.70382%0.821SS**  trans-101.895.9161.9177.30000107.1S574S574-V576 PolarHBondContact O-N 3.14Å
577V29.8Very low30.2Very low130 Ų130157.8 Ų157.879%0.78883%0.831SS**  trans-87.4106.1161.8177.70000106.5V575V575-V577 HydrophobicContact CG1-CG2 3.99Å
578K26.2Very low30.2Very low186 Ų186162.3 Ų162.381%0.80984%0.839SS**  trans-108.4133.7160.2-117.3-177.5179.4-178.90107.3
579I37.9Very low30.1Very low236 Ų236163.5 Ų163.5100%1.2184%0.843SS**  trans-61.10162.5-63.7172000108.6

Retrieved 579 of 579 residues in 648.7 ms (Link to these results)