A0A096N725_PAPAN Loading...

Family with sequence similarity 131 member A

AlphaFold DB (A0A2K5UM40), UniProt , Accession A0A096N725, Species PAPAN (Papio anubis, Olive baboon), Gene FAM131A, Length 364 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
1M57.4Low58.8Low155 Ų15599 Ų9976%0.76456%0.555SS**  0119.40-71.8171.8148.500107.3M3 L12 Q14M1-M3 PolarHBondContact O-N 3.2Å; M1-L12 HydrophobicContact CB-CD1 3.92Å; M1-L12 HydrophobicContact SD-CD1 4.25Å; M1-Q14 HydrophobicContact CE-CG 4.07Å
2P56.9Low60.3Low68 Ų6895.3 Ų95.344%0.44253%0.532SS..  trans-70.1125.6176.925.7-27000109.5W13P2-W13 HydrophobicContact CG-CB 4.19Å; P2-W13 PolarHBondContact O-N 3.38Å
3M52.3Low61.5Low121 Ų12194.8 Ų94.860%0.59652%0.517SS*.EExtended strand (participates in β ladder)trans-109.6127170.7-84.5-171.8-73.900108.2M1 M10 F11 L12M1-M3 PolarHBondContact O-N 3.2Å; M3-M10 HydrophobicContact SD-CE 4.06Å; M3-M10 HydrophobicContact SD-CG 4.43Å; M3-M10 HydrophobicContact SD-SD 4.17Å; M3-F11 WeakPolarHBondContact CA-O 3.3Å; M3-L12 HydrophobicContact CG-CD1 3.63Å; M3-L12 HydrophobicContact SD-CD1 4.42Å
4I56.3Low62.7Low89 Ų8994.2 Ų94.246%0.45651%0.509SS..EExtended strand (participates in β ladder)trans-120131178.1-57.4172.2000107.3V6 F11I4-V6 HydrophobicContact CG2-CG2 3.96Å; I4-F11 PolarHBondContact N-O 2.9Å; I4-F11 VanDerWaalsContact N-O 3.1Å; I4-F11 PolarHBondContact O-N 3.49Å
5S49.8Very low63.4Low87 Ų8796.1 Ų96.161%0.60851%0.506SS*.EExtended strand (participates in β ladder)trans-101.8121.1174.5-175.80000108.8K9S5-K9 WeakPolarHBondContact CA-O 3.48Å
6V54.9Low64.1Low76 Ų7699.5 Ų99.546%0.46152%0.518SS..EExtended strand (participates in β ladder)trans-125.2119.5174.3-1740000107.6I4 G8 K9 F11I4-V6 HydrophobicContact CG2-CG2 3.96Å; V6-G8 VanDerWaalsContact C-N 3.28Å; V6-G8 PolarHBondContact O-N 3.1Å; V6-K9 PolarHBondContact N-O 3.49Å; V6-K9 PolarHBondContact O-N 3.04Å; V6-F11 HydrophobicContact CB-CD2 4.32Å; V6-F11 HydrophobicContact CB-CE2 3.86Å; V6-F11 HydrophobicContact CG2-CD2 4.31Å; V6-F11 HydrophobicContact CG2-CE2 4.28Å
7L57.8Low64.7Low163 Ų16396 Ų9685%0.85351%0.512SS*.THydrogen-bonded Turntrans51.742.3179.9-59.8170.6000113.6K9L7-K9 PolarHBondContact O-N 3.4Å
8G65.3Low64.4Low75 Ų7598.5 Ų98.577%0.77353%0.534SS*.THydrogen-bonded Turntrans75.71179.100000115V6V6-G8 VanDerWaalsContact C-N 3.28Å; V6-G8 PolarHBondContact O-N 3.1Å
9K57.1Low64.8Low141 Ų14196.7 Ų96.761%0.61354%0.542SS*.EExtended strand (participates in β ladder)trans-98.9132174.1-64.8177.3-178.7171.60109.7S5 V6 L7 F11S5-K9 WeakPolarHBondContact CA-O 3.48Å; V6-K9 PolarHBondContact N-O 3.49Å; V6-K9 PolarHBondContact O-N 3.04Å; L7-K9 PolarHBondContact O-N 3.4Å; K9-F11 HydrophobicContact CB-CE2 3.74Å; K9-F11 HydrophobicContact CB-CZ 4.07Å; K9-F11 VanDerWaalsContact O-CD2 3.26Å; K9-F11 WeakPolarHBondContact O-CD2 3.43Å; K9-F11 VanDerWaalsContact O-CE2 3.31Å; K9-F11 WeakPolarHBondContact O-CE2 3.23Å
10M67Low64.9Low64 Ų6493.1 Ų93.132%0.31553%0.526SS..EExtended strand (participates in β ladder)trans-96.8121.4-175.8-150.7162.470.900109.7M3 S27M3-M10 HydrophobicContact SD-CE 4.06Å; M3-M10 HydrophobicContact SD-CG 4.43Å; M3-M10 HydrophobicContact SD-SD 4.17Å; M10-S27 PolarHBondContact O-N 3.38Å
11F71.7Confident64.9Low50 Ų5098.3 Ų98.322%0.21954%0.538CS..EExtended strand (participates in β ladder)trans-106.5118179.9-62.1-94.2000108.7M3 I4 V6 K9 T26M3-F11 WeakPolarHBondContact CA-O 3.3Å; I4-F11 PolarHBondContact N-O 2.9Å; I4-F11 VanDerWaalsContact N-O 3.1Å; I4-F11 PolarHBondContact O-N 3.49Å; V6-F11 HydrophobicContact CB-CD2 4.32Å; V6-F11 HydrophobicContact CB-CE2 3.86Å; V6-F11 HydrophobicContact CG2-CD2 4.31Å; V6-F11 HydrophobicContact CG2-CE2 4.28Å; K9-F11 HydrophobicContact CB-CE2 3.74Å; K9-F11 HydrophobicContact CB-CZ 4.07Å; K9-F11 VanDerWaalsContact O-CD2 3.26Å; K9-F11 WeakPolarHBondContact O-CD2 3.43Å; K9-F11 VanDerWaalsContact O-CE2 3.31Å; K9-F11 WeakPolarHBondContact O-CE2 3.23Å; F11-T26 HydrophobicContact CD1-CG2 3.69Å; F11-T26 HydrophobicContact CE1-CG2 3.49Å; F11-T26 VanDerWaalsContact CE1-CG2 3.49Å; F11-T26 HydrophobicContact CZ-CG2 4.5Å
12L77.9Confident65.9Low54 Ų5497.2 Ų97.228%0.28353%0.525SS..EExtended strand (participates in β ladder)trans-99.9121.3174.4-17665.3000108.6M1 M3 Q25M1-L12 HydrophobicContact CB-CD1 3.92Å; M1-L12 HydrophobicContact SD-CD1 4.25Å; M3-L12 HydrophobicContact CG-CD1 3.63Å; M3-L12 HydrophobicContact SD-CD1 4.42Å; L12-Q25 PolarHBondContact N-O 3.11Å; L12-Q25 PolarHBondContact O-N 3.01Å
13W75.9Confident66.6Low90 Ų9096.5 Ų96.534%0.34152%0.52SS..EExtended strand (participates in β ladder)trans-102.1122.8177.1-69.988.8000109.9P2 W22 T23 C24P2-W13 HydrophobicContact CG-CB 4.19Å; P2-W13 PolarHBondContact O-N 3.38Å; W13-W22 HydrophobicContact CB-CE3 4.34Å; W13-W22 HydrophobicContact CE3-CB 4.23Å; W13-W22 HydrophobicContact CZ3-CB 4.41Å; W13-T23 WeakPolarHBondContact CA-O 3.34Å; W13-C24 HydrophobicContact CD2-CB 3.79Å; W13-C24 HydrophobicContact CE3-CB 3.73Å; W13-C24 HydrophobicContact CH2-CB 3.65Å; W13-C24 HydrophobicContact CZ2-CB 3.68Å; W13-C24 HydrophobicContact CZ3-CB 3.66Å
14Q77.1Confident67.5Low86 Ų8694 Ų9440%0.40251%0.514SS..EExtended strand (participates in β ladder)trans-120.4132.6178.4-170.7173.325.900110M1 T23M1-Q14 HydrophobicContact CE-CG 4.07Å; Q14-T23 PolarHBondContact N-O 3.44Å; Q14-T23 PolarHBondContact O-N 2.84Å; Q14-T23 PolarHBondContact O-OG1 2.95Å
15R73.5Confident68.2Low122 Ų12295.1 Ų95.146%0.4652%0.517SS..EExtended strand (participates in β ladder)trans-97129.2174.3-163.7-178.8-178.4176.7-1.2109.5G17 W22R15-G17 VanDerWaalsContact C-N 3.26Å; R15-G17 PolarHBondContact O-N 2.96Å; R15-W22 HydrophobicContact CB-CD2 4.03Å; R15-W22 HydrophobicContact CB-CE3 3.76Å; R15-W22 HydrophobicContact CB-CH2 3.89Å; R15-W22 HydrophobicContact CB-CZ2 4.14Å; R15-W22 HydrophobicContact CB-CZ3 3.69Å; R15-W22 HydrophobicContact CG-CD2 4.12Å; R15-W22 HydrophobicContact CG-CE3 4.36Å; R15-W22 HydrophobicContact CG-CH2 4.42Å; R15-W22 HydrophobicContact CG-CZ2 4.16Å
16E74.6Confident68.9Low151 Ų15195 Ų9571%0.70651%0.513SS*.  trans-8071.5178.7-161178.3-175.200111.1G20 R21E16-G20 VanDerWaalsContact O-CA 3.25Å; E16-G20 WeakPolarHBondContact O-CA 3.44Å; E16-R21 PolarHBondContact N-O 3.02Å
17G74Confident68.9Low40 Ų4094.5 Ų94.541%0.41251%0.512SS..SBendtrans77.4176.8178.600000115.3R15 G19 G20R15-G17 VanDerWaalsContact C-N 3.26Å; R15-G17 PolarHBondContact O-N 2.96Å; G17-G19 PolarHBondContact O-N 3.47Å; G17-G19 VanDerWaalsContact O-N 3.13Å; G17-G20 PolarHBondContact O-N 3.36Å; G17-G20 VanDerWaalsContact O-N 3.11Å
18P60.1Low68.6Low141 Ų14197.2 Ų97.292%0.91651%0.511SS*.THydrogen-bonded Turntrans-69.8108.4-178.826.1-30.3000110.2
19G72Confident67.7Low65 Ų65103.5 Ų103.567%0.6751%0.512SS*.THydrogen-bonded Turntrans99.3-4.5-17500000115.1G17G17-G19 PolarHBondContact O-N 3.47Å; G17-G19 VanDerWaalsContact O-N 3.13Å
20G67.4Low66.9Low23 Ų23101.3 Ų101.324%0.23751%0.51CS..PPolyproline II helixtrans-78.4165.4-177.600000115.3E16 G17E16-G20 VanDerWaalsContact O-CA 3.25Å; E16-G20 WeakPolarHBondContact O-CA 3.44Å; G17-G20 PolarHBondContact O-N 3.36Å; G17-G20 VanDerWaalsContact O-N 3.11Å
21R64.8Low65.4Low203 Ų203103.7 Ų103.777%0.76653%0.533SS*.PPolyproline II helixtrans-63.1141.6176.7-178.7-176-73.5-105.81.9110.5E16E16-R21 PolarHBondContact N-O 3.02Å
22W77.7Confident63.7Low133 Ų133106.5 Ų106.550%0.50456%0.558SS.*EExtended strand (participates in β ladder)trans-79.3130169.1-70.4101.1000110.2W13 R15W13-W22 HydrophobicContact CB-CE3 4.34Å; W13-W22 HydrophobicContact CE3-CB 4.23Å; W13-W22 HydrophobicContact CZ3-CB 4.41Å; R15-W22 HydrophobicContact CB-CD2 4.03Å; R15-W22 HydrophobicContact CB-CE3 3.76Å; R15-W22 HydrophobicContact CB-CH2 3.89Å; R15-W22 HydrophobicContact CB-CZ2 4.14Å; R15-W22 HydrophobicContact CB-CZ3 3.69Å; R15-W22 HydrophobicContact CG-CD2 4.12Å; R15-W22 HydrophobicContact CG-CE3 4.36Å; R15-W22 HydrophobicContact CG-CH2 4.42Å; R15-W22 HydrophobicContact CG-CZ2 4.16Å
23T70.8Confident61.5Low53 Ų53110.9 Ų110.933%0.32558%0.582SS.*EExtended strand (participates in β ladder)trans-116.9137.8173.960.30000109.4W13 Q14W13-T23 WeakPolarHBondContact CA-O 3.34Å; Q14-T23 PolarHBondContact N-O 3.44Å; Q14-T23 PolarHBondContact O-N 2.84Å; Q14-T23 PolarHBondContact O-OG1 2.95Å
24C72.5Confident60.1Low69 Ų69112.1 Ų112.147%0.46660%0.602SS.*EExtended strand (participates in β ladder)trans-105127.9174.963.60000109.9W13W13-C24 HydrophobicContact CD2-CB 3.79Å; W13-C24 HydrophobicContact CE3-CB 3.73Å; W13-C24 HydrophobicContact CH2-CB 3.65Å; W13-C24 HydrophobicContact CZ2-CB 3.68Å; W13-C24 HydrophobicContact CZ3-CB 3.66Å
25Q70.8Confident58.2Low112 Ų112112.2 Ų112.252%0.52362%0.618SS.*EExtended strand (participates in β ladder)trans-113127.7170.5-66.6-177.229.500108.8L12L12-Q25 PolarHBondContact N-O 3.11Å; L12-Q25 PolarHBondContact O-N 3.01Å
26T65.1Low56.2Low85 Ų85115.7 Ų115.752%0.52163%0.631SS.*EExtended strand (participates in β ladder)trans-90.8112175.969.40000108.5F11 R28F11-T26 HydrophobicContact CD1-CG2 3.69Å; F11-T26 HydrophobicContact CE1-CG2 3.49Å; F11-T26 VanDerWaalsContact CE1-CG2 3.49Å; F11-T26 HydrophobicContact CZ-CG2 4.5Å; T26-R28 PolarHBondContact O-N 3.26Å; T26-R28 VanDerWaalsContact O-N 3.15Å
27S54.8Low54.1Low65 Ų65113.5 Ų113.546%0.45564%0.638SS.*EExtended strand (participates in β ladder)trans-78.5102171.7-171.40000108M10 R29M10-S27 PolarHBondContact O-N 3.38Å; S27-R29 VanDerWaalsContact C-N 3.29Å; S27-R29 PolarHBondContact O-N 3.05Å
28R51.1Low52.1Low219 Ų219115.1 Ų115.183%0.82664%0.64SS**  trans-7588.2171.4-145.7-172.8-60.9-131.54106.5T26 V30T26-R28 PolarHBondContact O-N 3.26Å; T26-R28 VanDerWaalsContact O-N 3.15Å; R28-V30 PolarHBondContact O-N 3.32Å
29R46.6Very low50.6Low208 Ų208116 Ų11679%0.78563%0.632SS**  trans-66.394.6160.4-86.3-154.5-87.5-167.2-5.6106.5S27 S31S27-R29 VanDerWaalsContact C-N 3.29Å; S27-R29 PolarHBondContact O-N 3.05Å; R29-S31 PolarHBondContact O-N 3.06Å
30V39.3Very low48.6Very low94 Ų94124 Ų12457%0.5764%0.642SS**  trans-56.5117157.6173.50000104.8R28 S32R28-V30 PolarHBondContact O-N 3.32Å; V30-S32 VanDerWaalsContact C-N 3.26Å; V30-S32 PolarHBondContact O-N 2.87Å
31S36.8Very low46.8Very low115 Ų115128.7 Ų128.780%0.80466%0.661SS**  trans-64.897.9164.759.20000106.1R29 D33R29-S31 PolarHBondContact O-N 3.06Å; S31-D33 PolarHBondContact O-N 3.47Å
32S36.2Very low45.5Very low108 Ų108128.1 Ų128.176%0.75567%0.667SS**  trans-67.4109.2174.7-48.70000108.5V30V30-S32 VanDerWaalsContact C-N 3.26Å; V30-S32 PolarHBondContact O-N 2.87Å
33D30.7Very low43.3Very low146 Ų146129.2 Ų129.278%0.78168%0.682SS**  trans-86.7135.5147.2-151.310.4000106.4S31 A35S31-D33 PolarHBondContact O-N 3.47Å; D33-A35 PolarHBondContact O-N 3.46Å; D33-A35 VanDerWaalsContact O-N 3.1Å
34P46.1Very low41.7Very low117 Ų117132.6 Ų132.676%0.7670%0.704SS**SBendtrans-89.486.7-158.534.8-30.5000110.8
35A36.6Very low40.1Very low88 Ų88141.5 Ų141.573%0.72773%0.728SS**  trans-15749171.400000113.9D33D33-A35 PolarHBondContact O-N 3.46Å; D33-A35 VanDerWaalsContact O-N 3.1Å
36W32.8Very low38.5Very low194 Ų194139.4 Ų139.474%0.73574%0.736SS**  trans-165.3112.8152.747.9-82.9000109.9V38W36-V38 HydrophobicContact CE3-CB 3.87Å; W36-V38 HydrophobicContact CE3-CG2 3.32Å; W36-V38 HydrophobicContact CZ3-CB 3.73Å; W36-V38 HydrophobicContact CZ3-CG2 3.37Å; W36-V38 PolarHBondContact O-N 3.17Å
37A30.6Very low37Very low105 Ų105143.9 Ų143.987%0.86876%0.756SS**  trans-69.5117.4161.700000107.5
38V31.3Very low36.2Very low75 Ų75145.6 Ų145.646%0.45577%0.769SS.*  trans-100102.7157.51600000106.6W36 W40W36-V38 HydrophobicContact CE3-CB 3.87Å; W36-V38 HydrophobicContact CE3-CG2 3.32Å; W36-V38 HydrophobicContact CZ3-CB 3.73Å; W36-V38 HydrophobicContact CZ3-CG2 3.37Å; W36-V38 PolarHBondContact O-N 3.17Å; V38-W40 HydrophobicContact CG1-CD2 4.23Å; V38-W40 HydrophobicContact CG1-CG 4.49Å; V38-W40 HydrophobicContact CG1-CZ2 4.18Å
39E28Very low35.4Very low158 Ų158142.9 Ų142.974%0.73877%0.769SS**  trans-74119.5165.3-168.4180-170.200107.5I41E39-I41 HydrophobicContact CG-CG1 4.17Å; E39-I41 PolarHBondContact O-N 3.34Å
40W29.9Very low34.7Very low235 Ų235137.5 Ų137.589%0.8976%0.764SS**  trans-85101174.2-67.193.5000108.4V38V38-W40 HydrophobicContact CG1-CD2 4.23Å; V38-W40 HydrophobicContact CG1-CG 4.49Å; V38-W40 HydrophobicContact CG1-CZ2 4.18Å
41I30.6Very low34.5Very low121 Ų121139.1 Ų139.162%0.62178%0.779SS**  trans-96.6110.3167.5-62.1173.4000107.5E39 L43E39-I41 HydrophobicContact CG-CG1 4.17Å; E39-I41 PolarHBondContact O-N 3.34Å; I41-L43 HydrophobicContact CG2-CG 4.47Å
42E37Very low34.4Very low190 Ų190141.8 Ų141.889%0.88878%0.783SS**  trans-70.7130.9167.7-82.1-176.214200110.2
43L31.6Very low34.1Very low157 Ų157140.3 Ų140.382%0.82279%0.785SS**  trans-130.2147.2162.9-82165.9000110.8I41I41-L43 HydrophobicContact CG2-CG 4.47Å
44P36.6Very low34.1Very low123 Ų123139 Ų13980%0.79979%0.788SS**  trans-87.7162.6-161.5316.7000113.8
45R40.6Very low33.4Very low256 Ų256138.2 Ų138.297%0.96679%0.791SS**  trans-49.3133.6-176.6-60.1174.3178177.4-1.3114.7
46G36.9Very low33.3Very low68 Ų68145 Ų14570%0.70180%0.798SS**  trans152.3127.2153.600000115.6
47L32.6Very low33.4Very low179 Ų179142.9 Ų142.994%0.93781%0.806SS**  trans97.6126.8160.4-50.7179.3000119.1
48S38.4Very low33.6Very low102 Ų102145.6 Ų145.671%0.71381%0.805SS**  trans-61.5157.1172.454.50000114.1
49L33.5Very low33.8Very low161 Ų161153.9 Ų153.984%0.84383%0.828SS**  -177.2125.5125.8-95.5162.4000113
50S32.2Very low33.9Very low95 Ų95150 Ų15066%0.66483%0.831SS**  trans40.1120.3144.954.30000122.8
51S34.8Very low33.9Very low128 Ų128148.8 Ų148.890%0.89583%0.826SS**  trans-55131.4157.5179.20000112.8
52L34.6Very low34Very low171 Ų171148.5 Ų148.590%0.89584%0.835SS**  trans-144.3124.1175.3-138.9141.9000108.4
53G29.8Very low33.7Very low77 Ų77149.3 Ų149.379%0.79483%0.83SS**  trans159.555.4173.600000116.4
54S30.7Very low33.7Very low120 Ų120146.9 Ų146.984%0.83983%0.826SS**  trans-77.9124.3168-176.70000110.1
55A31.6Very low33.4Very low99 Ų99146.7 Ų146.782%0.81883%0.828SS**  trans-107.3118172.800000110.4
56R35.3Very low33.2Very low232 Ų232146 Ų14688%0.87583%0.825SS**  trans-82.6143.4172.7-60.8176.9-152.7-173.14.9109.8
57T34Very low33.3Very low148 Ų148148.9 Ų148.991%0.90883%0.832SS**  trans-126.9117.4157.148.40000109.4
58L35.4Very low33.2Very low162 Ų162145.6 Ų145.685%0.84882%0.824SS**  trans-103.1127164.8-80.8167.2000106.8
59R35.8Very low33.1Very low249 Ų249146.3 Ų146.394%0.9483%0.828SS**  trans-157.6115.3139.3-85.3-143.7-89.6-97.23.3109.3
60G29.9Very low33.1Very low77 Ų77145.6 Ų145.679%0.79483%0.83SS**  trans-81.6147.1166.300000111
61W31Very low33.1Very low210 Ų210148 Ų14880%0.79584%0.836SS**  trans-145.3108.3160.2-175.6-83.4000108.2
62S31.2Very low33Very low115 Ų115147.2 Ų147.280%0.80483%0.831SS**  trans-82.7134.5170.7-62.90000109.7
63R31Very low33.2Very low207 Ų207147.5 Ų147.578%0.78183%0.827SS**  trans-154.2126.6145.6-136.9172.8-84.9-1233.9112
64S31.1Very low33.3Very low105 Ų105151.4 Ų151.473%0.73483%0.83SS**  trans-78.2146.3174166.60000111
65S31Very low33.7Very low120 Ų120153.2 Ų153.284%0.83983%0.829SS**  trans-162.7133.5148.2-66.70000110.9
66R35.7Very low34.3Very low240 Ų240154.1 Ų154.191%0.90683%0.827SS**  trans-75.7163.3173.1-67.1177.1-172.9-160.80.4111.6
67P39.5Very low34.4Very low130 Ų130152.2 Ų152.284%0.84483%0.828SS**  trans-100.1147.5170.136.4-28.3000113.4
68S31.1Very low34.6Very low110 Ų110152 Ų15277%0.76983%0.826SS**  trans-127.2100.6158.854.50000106.6
69S35Very low34.7Very low116 Ų116150.5 Ų150.581%0.81182%0.819SS**  48.4101.3100.6-171.80000113.9
70V34.3Very low35.3Very low146 Ų146145.4 Ų145.489%0.88582%0.815SS**  trans-148.3134.5143.4-1250000109.5
71D31.4Very low36.1Very low146 Ų146143.9 Ų143.978%0.78180%0.8SS**  trans-87.3168.9178.9-160.81.8000110.3
72S34.5Very low36.9Very low112 Ų112139.8 Ų139.878%0.78379%0.794SS**  trans110.1112.7162.1-45.70000116.9
73Q37Very low37.7Very low177 Ų177139.9 Ų139.983%0.82779%0.789SS**  trans-74.5147171.4-59.9166.4-4.500110.4
74D32.8Very low38.6Very low158 Ų158135 Ų13585%0.84578%0.783SS**  trans-161.8151.7132.1-106.7-28.9000111.8
75L38.1Very low39.6Very low158 Ų158133.5 Ų133.583%0.82778%0.776SS**PPolyproline II helixtrans-65.2154.5-157-65.2139.9000116.4
76P44.6Very low40.7Very low118 Ų118135.1 Ų135.177%0.76677%0.772SS**PPolyproline II helixtrans-89.7130.4-178.534-32000114
77E38.5Very low41.5Very low193 Ų193130.5 Ų130.590%0.90277%0.765SS**PPolyproline II helixtrans-72.1120.5163.5-167.4171.9-169.800109.2N79E77-N79 PolarHBondContact O-N 2.9Å; E77-N79 VanDerWaalsContact O-N 3.17Å
78V37Very low41.8Very low142 Ų142130.2 Ų130.286%0.86176%0.763SS**  trans-7898.3-176.7-101.90000110.7
79N37.8Very low42.6Very low131 Ų131133.5 Ų133.570%0.70176%0.763SS**  trans-83.3126.1171.5178.96.1000110.7E77 G81E77-N79 PolarHBondContact O-N 2.9Å; E77-N79 VanDerWaalsContact O-N 3.17Å; N79-G81 PolarHBondContact O-N 3.46Å; N79-G81 PolarHBondContact OD1-N 3.04Å
80V47.9Very low43.4Very low142 Ų142133.1 Ų133.186%0.86176%0.761SS**THydrogen-bonded Turntrans-81.816.4-178.4-176.10000112.4
81G47.9Very low44.4Very low46 Ų46136.9 Ų136.947%0.47476%0.759SS.*THydrogen-bonded Turntrans-91.32-17600000117.5N79 T83N79-G81 PolarHBondContact O-N 3.46Å; N79-G81 PolarHBondContact OD1-N 3.04Å; G81-T83 PolarHBondContact O-N 3.14Å
82D46.8Very low45.9Very low124 Ų124141 Ų14166%0.66376%0.764SS**  trans-101.754.6-170.2-90.6-17000113.9V84 A85D82-V84 VanDerWaalsContact C-N 3.26Å; D82-A85 HydrophobicContact CB-CB 4.36Å
83T49.7Very low47.7Very low117 Ų117140.5 Ų140.572%0.71877%0.766SS**G310 helixtrans-80.3-8.5170.254.20000113.1G81 A85G81-T83 PolarHBondContact O-N 3.14Å; T83-A85 VanDerWaalsContact C-N 3.28Å
84V48.9Very low49.5Very low105 Ų105136.5 Ų136.564%0.63675%0.75SS**G310 helixtrans-82.9-5.9174.1-162.60000112.2D82D82-V84 VanDerWaalsContact C-N 3.26Å
85A51.2Low51.8Low72 Ų72132.5 Ų132.560%0.59573%0.731SS**G310 helixtrans-89.4-1.7177.200000114.1D82 T83 L87D82-A85 HydrophobicContact CB-CB 4.36Å; T83-A85 VanDerWaalsContact C-N 3.28Å; A85-L87 VanDerWaalsContact C-N 3.26Å; A85-L87 PolarHBondContact O-N 3.44Å
86M54Low53.7Low155 Ų155132.1 Ų132.176%0.76473%0.728SS**SBendtrans-79.3-0.7-175.4-74.2-70.7-64.200114.7
87L53.5Low55.5Low143 Ų143134.3 Ų134.375%0.74973%0.728SS**SBendtrans-130.5128.7173.3-71.5170.9000110.3A85 K89A85-L87 VanDerWaalsContact C-N 3.26Å; A85-L87 PolarHBondContact O-N 3.44Å; L87-K89 PolarHBondContact O-N 3.46Å
88P45.5Very low57.5Low124 Ų124129.5 Ų129.581%0.80571%0.706SS**  trans-69.4102.6-178.826.6-30.7000109.9S90P88-S90 VanDerWaalsContact C-N 3.3Å; P88-S90 PolarHBondContact O-N 3.48Å
89K48.1Very low59.3Low178 Ų178127.2 Ų127.277%0.77469%0.688SS**  trans-66.291.1162.4-78165.5177.9161.30108.2L87 R91L87-K89 PolarHBondContact O-N 3.46Å; K89-R91 PolarHBondContact O-N 3.33Å
90S51.1Low61.1Low108 Ų108123.2 Ų123.276%0.75567%0.673SS**  trans-69.5112.8177.462.80000110.3P88P88-S90 VanDerWaalsContact C-N 3.3Å; P88-S90 PolarHBondContact O-N 3.48Å
91R55Low62.3Low226 Ų226118.5 Ų118.585%0.85365%0.649SS**  trans-169.921.1150.6-105.9175.8-140.5-83.15.2114.4K89K89-R91 PolarHBondContact O-N 3.33Å
92R63.4Low63.4Low232 Ų232120.8 Ų120.888%0.87565%0.65SS**SBendtrans-121.5125.6164.1-71.6-173.1-172.987.91.9109L94R92-L94 PolarHBondContact O-N 2.88Å
93A72.1Confident64.3Low101 Ų101117.9 Ų117.984%0.83564%0.643SS**PPolyproline II helixtrans-60.6121.5172.400000108.2T95A93-T95 PolarHBondContact O-N 2.99Å
94L76Confident65.1Low94 Ų94120.5 Ų120.549%0.49264%0.64SS.*PPolyproline II helixtrans-64.9132.6177.4-63.6173.4000109R92 E98 I99 L102R92-L94 PolarHBondContact O-N 2.88Å; L94-E98 HydrophobicContact CB-CB 4.27Å; L94-E98 HydrophobicContact CD2-CB 4.3Å; L94-I99 HydrophobicContact CB-CD1 4.27Å; L94-I99 HydrophobicContact CB-CG1 3.71Å; L94-I99 HydrophobicContact CD1-CG1 4.45Å; L94-L102 HydrophobicContact CD1-CD1 3.73Å
95T79.8Confident65.4Low73 Ų73119.3 Ų119.345%0.44864%0.636SS.*PPolyproline II helixtrans-65.9156.4171.363.90000110A93 Q97 E98 I99A93-T95 PolarHBondContact O-N 2.99Å; T95-Q97 PolarHBondContact O-N 3.38Å; T95-Q97 VanDerWaalsContact O-N 3.15Å; T95-E98 WeakPolarHBondContact CB-OE2 2.97Å; T95-E98 WeakPolarHBondContact CG2-OE2 3.4Å; T95-E98 PolarHBondContact N-OE2 3.44Å; T95-E98 WeakPolarHBondContact O-CB 3.32Å; T95-E98 PolarHBondContact O-N 3.15Å; T95-E98 VanDerWaalsContact OG1-CG 3.25Å; T95-E98 WeakPolarHBondContact OG1-CG 3.45Å; T95-E98 PolarHBondContact OG1-N 2.85Å; T95-E98 PolarHBondContact OG1-OE2 3.31Å; T95-I99 WeakPolarHBondContact O-CG1 3.29Å; T95-I99 PolarHBondContact O-N 2.84Å
96I79.8Confident65.7Low150 Ų150119.1 Ų119.177%0.76963%0.63SS**Hα-helixtrans-56.9-34.1179.7-62.2169.1000111.2A100I96-A100 VanDerWaalsContact O-CB 3.28Å; I96-A100 WeakPolarHBondContact O-CB 3.42Å; I96-A100 PolarHBondContact O-N 2.95Å
97Q82.2Confident65.6Low164 Ų164118.2 Ų118.277%0.76663%0.628SS**Hα-helixtrans-69.7-36.9176.4-71.9-177.7-63.400112.6T95 A100 A101T95-Q97 PolarHBondContact O-N 3.38Å; T95-Q97 VanDerWaalsContact O-N 3.15Å; Q97-A100 PolarHBondContact O-N 2.76Å; Q97-A101 WeakPolarHBondContact O-CB 3.44Å; Q97-A101 PolarHBondContact O-N 2.98Å
98E80.8Confident65.6Low93 Ų93119.4 Ų119.444%0.43563%0.63SS.*Hα-helixtrans-69.7-40.2174.7-71.4162.8147.800111.4L94 T95 A100 A101 L102L94-E98 HydrophobicContact CB-CB 4.27Å; L94-E98 HydrophobicContact CD2-CB 4.3Å; T95-E98 WeakPolarHBondContact CB-OE2 2.97Å; T95-E98 WeakPolarHBondContact CG2-OE2 3.4Å; T95-E98 PolarHBondContact N-OE2 3.44Å; T95-E98 WeakPolarHBondContact O-CB 3.32Å; T95-E98 PolarHBondContact O-N 3.15Å; T95-E98 VanDerWaalsContact OG1-CG 3.25Å; T95-E98 WeakPolarHBondContact OG1-CG 3.45Å; T95-E98 PolarHBondContact OG1-N 2.85Å; T95-E98 PolarHBondContact OG1-OE2 3.31Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 2.93Å; E98-A101 PolarHBondContact O-N 3.38Å; E98-L102 WeakPolarHBondContact O-CB 3.06Å; E98-L102 PolarHBondContact O-N 2.92Å
99I73.4Confident66Low94 Ų94116.6 Ų116.648%0.48262%0.623SS.*Hα-helixtrans-61.8-43.6173-62.8168.9000110.2L94 T95 L102 A103L94-I99 HydrophobicContact CB-CD1 4.27Å; L94-I99 HydrophobicContact CB-CG1 3.71Å; L94-I99 HydrophobicContact CD1-CG1 4.45Å; T95-I99 WeakPolarHBondContact O-CG1 3.29Å; T95-I99 PolarHBondContact O-N 2.84Å; I99-L102 PolarHBondContact O-N 3.15Å; I99-A103 WeakPolarHBondContact O-CB 3.28Å; I99-A103 PolarHBondContact O-N 3.49Å
100A76.5Confident66.2Low46 Ų46113.6 Ų113.638%0.3861%0.614SS.*Hα-helixtrans-68-34.4176.900000112.6I96 Q97 E98 R104I96-A100 VanDerWaalsContact O-CB 3.28Å; I96-A100 WeakPolarHBondContact O-CB 3.42Å; I96-A100 PolarHBondContact O-N 2.95Å; Q97-A100 PolarHBondContact O-N 2.76Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 2.93Å; A100-R104 WeakPolarHBondContact O-CB 3.3Å; A100-R104 VanDerWaalsContact O-CG 3.27Å; A100-R104 WeakPolarHBondContact O-CG 3.49Å; A100-R104 PolarHBondContact O-N 3.15Å; A100-R104 VanDerWaalsContact O-N 3.14Å; A100-R104 PolarHBondContact O-NE 2.9Å
101A72.1Confident66.2Low44 Ų44110.8 Ų110.836%0.36459%0.594SS.*Hα-helixtrans-67.2-44.3172.900000111.1Q97 E98 R104 S105Q97-A101 WeakPolarHBondContact O-CB 3.44Å; Q97-A101 PolarHBondContact O-N 2.98Å; E98-A101 PolarHBondContact O-N 3.38Å; A101-R104 CarbonylContact O-C 3.58Å; A101-R104 PolarHBondContact O-N 3.2Å; A101-S105 WeakPolarHBondContact O-CB 3.19Å; A101-S105 PolarHBondContact O-N 3.31Å; A101-S105 PolarHBondContact O-OG 2.95Å
102L71.3Confident66.1Low93 Ų93107.5 Ų107.549%0.48759%0.589SS.*Hα-helixtrans-61.2-43.9174.6-103.2148.5000112.7L94 E98 I99 R104 S105 S106L94-L102 HydrophobicContact CD1-CD1 3.73Å; E98-L102 WeakPolarHBondContact O-CB 3.06Å; E98-L102 PolarHBondContact O-N 2.92Å; I99-L102 PolarHBondContact O-N 3.15Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.32Å; L102-S105 WeakPolarHBondContact CA-OG 3.33Å; L102-S105 PolarHBondContact O-N 3.12Å; L102-S105 PolarHBondContact O-OG 3.2Å; L102-S105 VanDerWaalsContact O-OG 3.09Å; L102-S106 VanDerWaalsContact O-CB 3.26Å; L102-S106 WeakPolarHBondContact O-CB 3.32Å; L102-S106 PolarHBondContact O-N 2.73Å
103A66.4Low65.6Low63 Ų63101.5 Ų101.552%0.52158%0.578SS.*Hα-helixtrans-62.4-37.4176.400000111.7I99I99-A103 WeakPolarHBondContact O-CB 3.28Å; I99-A103 PolarHBondContact O-N 3.49Å
104R66.3Low64.7Low172 Ų172100.2 Ų100.265%0.64956%0.559SS**Hα-helixtrans-78.1-31.6176.3-68.8-176.5-57164.97113.1A100 A101 L102 H108A100-R104 WeakPolarHBondContact O-CB 3.3Å; A100-R104 VanDerWaalsContact O-CG 3.27Å; A100-R104 WeakPolarHBondContact O-CG 3.49Å; A100-R104 PolarHBondContact O-N 3.15Å; A100-R104 VanDerWaalsContact O-N 3.14Å; A100-R104 PolarHBondContact O-NE 2.9Å; A101-R104 CarbonylContact O-C 3.58Å; A101-R104 PolarHBondContact O-N 3.2Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.32Å; R104-H108 PolarHBondContact O-ND1 3.43Å
105S55.8Low63.8Low80 Ų80102.8 Ų102.856%0.55957%0.566SS**Hα-helixtrans-75.8-32.917770.60000112.3A101 L102 L107A101-S105 WeakPolarHBondContact O-CB 3.19Å; A101-S105 PolarHBondContact O-N 3.31Å; A101-S105 PolarHBondContact O-OG 2.95Å; L102-S105 WeakPolarHBondContact CA-OG 3.33Å; L102-S105 PolarHBondContact O-N 3.12Å; L102-S105 PolarHBondContact O-OG 3.2Å; L102-S105 VanDerWaalsContact O-OG 3.09Å; S105-L107 VanDerWaalsContact C-N 3.28Å; S105-L107 PolarHBondContact O-N 3.41Å
106S56Low62.7Low68 Ų68105.8 Ų105.848%0.47658%0.58SS.*Hα-helixtrans-65.8-29.1173.9-174.20000112.6L102 I110L102-S106 VanDerWaalsContact O-CB 3.26Å; L102-S106 WeakPolarHBondContact O-CB 3.32Å; L102-S106 PolarHBondContact O-N 2.73Å; S106-I110 WeakPolarHBondContact O-CD1 3.16Å; S106-I110 WeakPolarHBondContact O-CG1 3.4Å
107L53Low61.7Low137 Ų137103.6 Ų103.672%0.71757%0.566SS**THydrogen-bonded Turntrans-81.3-16.5-172.9-165.362.3000115S105S105-L107 VanDerWaalsContact C-N 3.28Å; S105-L107 PolarHBondContact O-N 3.41Å
108H53.8Low60.5Low168 Ų16898.8 Ų98.878%0.77855%0.548SS*.THydrogen-bonded Turntrans-95.9-3.4-176.9-68.685.5000114.2R104R104-H108 PolarHBondContact O-ND1 3.43Å
109G52.8Low59.5Low65 Ų6595.7 Ų95.767%0.6754%0.536SS*.THydrogen-bonded Turntrans-115.9-8.6-176.800000115.5S111G109-S111 PolarHBondContact O-N 3.2Å
110I53.2Low58.9Low115 Ų115100 Ų10059%0.5955%0.551SS**SBendtrans-86.473.5179.7-53.3166.8000109S106S106-I110 WeakPolarHBondContact O-CD1 3.16Å; S106-I110 WeakPolarHBondContact O-CG1 3.4Å
111S51.5Low57.9Low48 Ų48101.8 Ų101.834%0.33656%0.558SS.*  trans49.6106.3137-169.10000118.6G109 V113 V114 K115G109-S111 PolarHBondContact O-N 3.2Å; S111-V113 PolarHBondContact O-N 3.33Å; S111-V113 WeakPolarHBondContact OG-CA 3.42Å; S111-V113 WeakPolarHBondContact OG-CB 3.37Å; S111-V113 PolarHBondContact OG-N 3.42Å; S111-V114 PolarHBondContact O-N 3.45Å; S111-V114 PolarHBondContact OG-N 2.92Å; S111-K115 PolarHBondContact O-N 3.03Å
112Q52.2Low57.4Low158 Ų158103.5 Ų103.574%0.73857%0.565SS**Hα-helixtrans-43.4-24.4153.9-129.695.8-14.700113.3
113V53.1Low56.9Low106 Ų106103.3 Ų103.364%0.64258%0.576SS**Hα-helixtrans-81.3-25.9-177.5-1740000112.9S111 H117S111-V113 PolarHBondContact O-N 3.33Å; S111-V113 WeakPolarHBondContact OG-CA 3.42Å; S111-V113 WeakPolarHBondContact OG-CB 3.37Å; S111-V113 PolarHBondContact OG-N 3.42Å; V113-H117 PolarHBondContact O-CE1 2.88Å; V113-H117 VanDerWaalsContact O-CE1 3.27Å; V113-H117 PolarHBondContact O-ND1 2.85Å
114V53.4Low56.4Low74 Ų74105 Ų10545%0.44857%0.574SS.*Hα-helixtrans-92.2-26.2176-174.80000111.3S111 D116 H117 V118S111-V114 PolarHBondContact O-N 3.45Å; S111-V114 PolarHBondContact OG-N 2.92Å; V114-D116 PolarHBondContact O-N 3.27Å; V114-H117 PolarHBondContact O-N 2.83Å; V114-V118 HydrophobicContact CG1-CG2 4.4Å; V114-V118 PolarHBondContact O-N 3.17Å
115K55.8Low56Low147 Ų147101 Ų10164%0.63958%0.578SS**Hα-helixtrans-55.5-33.4179.2179.3175.1156.6-178.30113.7S111 H117S111-K115 PolarHBondContact O-N 3.03Å; K115-H117 VanDerWaalsContact C-N 3.31Å
116D56.8Low56.3Low137 Ų137105 Ų10573%0.73359%0.588SS**THydrogen-bonded Turntrans-79.4-11.2177.5-74.3-7000113.9V114V114-D116 PolarHBondContact O-N 3.27Å
117H58.6Low56.6Low103 Ų103105.6 Ų105.648%0.47761%0.605SS.*THydrogen-bonded Turntrans-104.3-6.1178.5-57.685.6000112.5V113 V114 K115 T119V113-H117 PolarHBondContact O-CE1 2.88Å; V113-H117 VanDerWaalsContact O-CE1 3.27Å; V113-H117 PolarHBondContact O-ND1 2.85Å; V114-H117 PolarHBondContact O-N 2.83Å; K115-H117 VanDerWaalsContact C-N 3.31Å; H117-T119 PolarHBondContact O-N 2.97Å
118V57.5Low57.2Low64 Ų64106.1 Ų106.139%0.38860%0.598SS.*BIsolated β-bridgetrans-80.3106.4170-179.70000106.7V114V114-V118 HydrophobicContact CG1-CG2 4.4Å; V114-V118 PolarHBondContact O-N 3.17Å
119T60.3Low57.7Low28 Ų28102.5 Ų102.517%0.17259%0.587CS.*  trans-55.4149.7173.466.90000110.1H117 L132 E134H117-T119 PolarHBondContact O-N 2.97Å; T119-L132 WeakPolarHBondContact CB-O 3.38Å; T119-L132 HydrophobicContact CG2-CB 4.16Å; T119-L132 VanDerWaalsContact CG2-O 3.23Å; T119-L132 WeakPolarHBondContact CG2-O 3.36Å; T119-L132 PolarHBondContact N-O 3.49Å; T119-L132 WeakPolarHBondContact OG1-CA 3.41Å; T119-L132 WeakPolarHBondContact OG1-CB 3.31Å; T119-L132 PolarHBondContact OG1-N 3.37Å; T119-L132 PolarHBondContact OG1-O 3.18Å; T119-E134 HydrophobicContact CG2-CG 3.95Å; T119-E134 WeakPolarHBondContact CG2-OE1 3.37Å
120K60.5Low58.3Low184 Ų184101.4 Ų101.480%0.857%0.572SS**  trans-50.5142.1173-66.8178.1179.3175.60109.5T122K120-T122 PolarHBondContact O-N 3.06Å
121P56.6Low58.7Low83 Ų83101.7 Ų101.754%0.53957%0.57SS.*  trans-55.5109.9178.820.9-30.7000109.5A123 V129P121-A123 PolarHBondContact O-N 3.34Å; P121-A123 VanDerWaalsContact O-N 3.16Å; P121-V129 HydrophobicContact CB-CG1 3.54Å
122T60.7Low59.4Low81 Ų81104.8 Ų104.850%0.49758%0.582SS.*EExtended strand (participates in β ladder)trans-76.9105.6174.3-59.10000106.4K120 M124 A130K120-T122 PolarHBondContact O-N 3.06Å; T122-M124 PolarHBondContact O-N 2.94Å; T122-A130 PolarHBondContact N-O 2.9Å
123A60.9Low60Low88 Ų88102.3 Ų102.373%0.72757%0.573SS**EExtended strand (participates in β ladder)trans-64.2118.8174.900000109.1P121P121-A123 PolarHBondContact O-N 3.34Å; P121-A123 VanDerWaalsContact O-N 3.16Å
124M56.5Low60.3Low98 Ų98102.4 Ų102.448%0.48357%0.567SS.*EExtended strand (participates in β ladder)trans-95.1146.4169.9-63-179.460.400109.5T122 R128 A130T122-M124 PolarHBondContact O-N 2.94Å; M124-R128 WeakPolarHBondContact CB-O 3.37Å; M124-R128 PolarHBondContact N-O 3.45Å; M124-A130 HydrophobicContact CG-CB 4.47Å; M124-A130 HydrophobicContact SD-CB 3.81Å
125A56.7Low60.3Low89 Ų89108.6 Ų108.674%0.73658%0.582SS**THydrogen-bonded Turntrans-57.7141.6174.400000110.7
126Q63.4Low60.4Low164 Ų164110.7 Ų110.777%0.76659%0.591SS**THydrogen-bonded Turntrans84.624.5-170.3-52.4174.7-41.800116.8R128Q126-R128 VanDerWaalsContact C-N 3.27Å; Q126-R128 PolarHBondContact O-N 3.47Å
127G61.7Low60.5Low81 Ų81107.2 Ų107.284%0.83559%0.588SS**THydrogen-bonded Turntrans71.420.517000000114.3
128R65.7Low60.1Low148 Ų148113.1 Ų113.156%0.55861%0.606SS**EExtended strand (participates in β ladder)trans-97.9122.5173-67.1-171.6-66.9-128.6-10.6108.9M124 Q126M124-R128 WeakPolarHBondContact CB-O 3.37Å; M124-R128 PolarHBondContact N-O 3.45Å; Q126-R128 VanDerWaalsContact C-N 3.27Å; Q126-R128 PolarHBondContact O-N 3.47Å
129V64.9Low59.9Low91 Ų91115.4 Ų115.455%0.55263%0.625SS**EExtended strand (participates in β ladder)trans-95117.1171.2177.40000107.2P121P121-V129 HydrophobicContact CB-CG1 3.54Å
130A64.5Low59.8Low42 Ų42122.9 Ų122.935%0.34766%0.655SS.*EExtended strand (participates in β ladder)trans-102.2133.3169.600000108.8T122 M124T122-A130 PolarHBondContact N-O 2.9Å; M124-A130 HydrophobicContact CG-CB 4.47Å; M124-A130 HydrophobicContact SD-CB 3.81Å
131H62.5Low59.6Low122 Ų122119.1 Ų119.157%0.56565%0.649SS**  trans-89.7114169-70.2-93.2000107.9I133H131-I133 PolarHBondContact O-N 3.23Å
132L65.7Low59.6Low112 Ų112120.9 Ų120.959%0.58666%0.664SS**  trans-78.5113.1170-158.371.4000106.9T119T119-L132 WeakPolarHBondContact CB-O 3.38Å; T119-L132 HydrophobicContact CG2-CB 4.16Å; T119-L132 VanDerWaalsContact CG2-O 3.23Å; T119-L132 WeakPolarHBondContact CG2-O 3.36Å; T119-L132 PolarHBondContact N-O 3.49Å; T119-L132 WeakPolarHBondContact OG1-CA 3.41Å; T119-L132 WeakPolarHBondContact OG1-CB 3.31Å; T119-L132 PolarHBondContact OG1-N 3.37Å; T119-L132 PolarHBondContact OG1-O 3.18Å
133I63.9Low59.5Low107 Ų107121.7 Ų121.755%0.54967%0.665SS.*BIsolated β-bridgetrans-92.8111.4166.1-60.4174.3000104.3H131 W135H131-I133 PolarHBondContact O-N 3.23Å; I133-W135 VanDerWaalsContact O-CD1 3.32Å; I133-W135 PolarHBondContact O-N 3.36Å
134E59.8Low60Low108 Ų108120.8 Ų120.851%0.50565%0.653SS.*  trans-73.2105170.439.5-175.7137.500108T119 K136T119-E134 HydrophobicContact CG2-CG 3.95Å; T119-E134 WeakPolarHBondContact CG2-OE1 3.37Å; E134-K136 PolarHBondContact O-N 2.93Å
135W54.3Low60.4Low204 Ų204121.3 Ų121.377%0.77366%0.664SS**  trans-73.978.4174-74.563000108.7I133 G137I133-W135 VanDerWaalsContact O-CD1 3.32Å; I133-W135 PolarHBondContact O-N 3.36Å; W135-G137 VanDerWaalsContact C-N 3.28Å; W135-G137 PolarHBondContact O-N 2.94Å
136K57.3Low60.7Low190 Ų190120.5 Ų120.583%0.82666%0.658SS**THydrogen-bonded Turntrans-76.381.9173.5-153.8179.3-173.1178.80108.4E134E134-K136 PolarHBondContact O-N 2.93Å
137G59.3Low60.6Low65 Ų65115 Ų11567%0.6764%0.64SS**THydrogen-bonded Turntrans17310.5-177.500000118.2W135 S139W135-G137 VanDerWaalsContact C-N 3.28Å; W135-G137 PolarHBondContact O-N 2.94Å; G137-S139 PolarHBondContact O-N 2.85Å
138W50.6Low60.7Low227 Ų227114.3 Ų114.386%0.8662%0.616SS**  trans-74.3108.2158.9-76.714000106.4K140W138-K140 PolarHBondContact O-N 2.99Å; W138-K140 VanDerWaalsContact O-N 3.12Å
139S53.2Low60.7Low111 Ų111113.4 Ų113.478%0.77662%0.619SS**  trans-47.7122.6174.839.30000108G137G137-S139 PolarHBondContact O-N 2.85Å
140K56.2Low60.8Low185 Ų185112.8 Ų112.880%0.80462%0.618SS**  trans-54.3136.3159.9-79.9174175.5173.20106.2W138 S142W138-K140 PolarHBondContact O-N 2.99Å; W138-K140 VanDerWaalsContact O-N 3.12Å; K140-S142 PolarHBondContact O-N 2.96Å
141P56.3Low60.8Low105 Ų105113 Ų11368%0.68262%0.621SS**  trans-48.9111.3167-22.731.7000107D143P141-D143 PolarHBondContact O-N 3.44Å; P141-D143 VanDerWaalsContact O-N 3.15Å
142S57.5Low61Low120 Ų120113.7 Ų113.784%0.83962%0.622SS**  trans-82.821.5-175.1-174.30000110.7K140K140-S142 PolarHBondContact O-N 2.96Å
143D59.1Low61.2Low99 Ų99111.7 Ų111.753%0.52962%0.617SS.*  trans-85.5123.4177.7-61-40.9000107.6P141 L148P141-D143 PolarHBondContact O-N 3.44Å; P141-D143 VanDerWaalsContact O-N 3.15Å; D143-L148 HydrophobicContact CB-CD1 4.26Å; D143-L148 HydrophobicContact CB-CG 4.08Å
144S72Confident61.4Low68 Ų68110.5 Ų110.548%0.47662%0.618SS.*  trans-53.8143.817172.70000109A146 A147 L148S144-A146 PolarHBondContact O-N 3.19Å; S144-A147 WeakPolarHBondContact O-CB 3.23Å; S144-A147 PolarHBondContact O-N 2.92Å; S144-A147 PolarHBondContact OG-N 3.19Å; S144-L148 PolarHBondContact O-N 3.32Å
145P63.4Low61.7Low110 Ų110111 Ų11171%0.71462%0.617SS**Hα-helixtrans-54.7-30.1-178.219.3-31.1000112.5L148 E149P145-L148 PolarHBondContact O-N 3.06Å; P145-E149 VanDerWaalsContact O-CG 3.23Å; P145-E149 WeakPolarHBondContact O-CG 3.36Å; P145-E149 PolarHBondContact O-N 2.57Å
146A63.6Low62.9Low72 Ų72105.4 Ų105.460%0.59561%0.609SS**Hα-helixtrans-68.6-32.5174.400000114.2S144 S150S144-A146 PolarHBondContact O-N 3.19Å; A146-S150 WeakPolarHBondContact O-CB 3.22Å; A146-S150 PolarHBondContact O-N 3.48Å
147A61.9Low64.3Low47 Ų47103.9 Ų103.939%0.38861%0.609SS.*Hα-helixtrans-72.3-36.8176.400000111.5S144 S150 A151S144-A147 WeakPolarHBondContact O-CB 3.23Å; S144-A147 PolarHBondContact O-N 2.92Å; S144-A147 PolarHBondContact OG-N 3.19Å; A147-S150 PolarHBondContact O-N 3.22Å; A147-A151 PolarHBondContact O-N 3.31Å
148L63.8Low65.6Low67 Ų67102.6 Ų102.635%0.35159%0.587SS.*Hα-helixtrans-64-48.6171.8-88.9161.3000111.3D143 S144 P145 S150 A151 F152D143-L148 HydrophobicContact CB-CD1 4.26Å; D143-L148 HydrophobicContact CB-CG 4.08Å; S144-L148 PolarHBondContact O-N 3.32Å; P145-L148 PolarHBondContact O-N 3.06Å; L148-S150 VanDerWaalsContact C-N 3.27Å; L148-S150 PolarHBondContact O-N 3.37Å; L148-A151 WeakPolarHBondContact O-CB 3.36Å; L148-A151 PolarHBondContact O-N 2.9Å; L148-F152 HydrophobicContact CB-CD2 4.42Å; L148-F152 HydrophobicContact CB-CE2 4.16Å; L148-F152 HydrophobicContact CD2-CE2 3.78Å; L148-F152 HydrophobicContact CD2-CZ 4.35Å; L148-F152 WeakPolarHBondContact O-CD2 3.37Å; L148-F152 PolarHBondContact O-N 3.4Å
149E65.4Low67.5Low129 Ų12994.8 Ų94.860%0.60357%0.567SS**Hα-helixtrans-58.1-38.4176.6-70.7-73.6152.900112.4P145 F152 S153P145-E149 VanDerWaalsContact O-CG 3.23Å; P145-E149 WeakPolarHBondContact O-CG 3.36Å; P145-E149 PolarHBondContact O-N 2.57Å; E149-F152 PolarHBondContact O-N 3.35Å; E149-S153 VanDerWaalsContact O-CB 3.3Å; E149-S153 WeakPolarHBondContact O-CB 3.39Å; E149-S153 PolarHBondContact O-N 3.41Å; E149-S153 PolarHBondContact O-OG 3.48Å
150S66.8Low69.3Low78 Ų7897.5 Ų97.555%0.54557%0.567SS.*Hα-helixtrans-66.9-38.5174-171.50000112.3A146 A147 L148 S154A146-S150 WeakPolarHBondContact O-CB 3.22Å; A146-S150 PolarHBondContact O-N 3.48Å; A147-S150 PolarHBondContact O-N 3.22Å; L148-S150 VanDerWaalsContact C-N 3.27Å; L148-S150 PolarHBondContact O-N 3.37Å; S150-S154 WeakPolarHBondContact O-CB 3.42Å; S150-S154 PolarHBondContact O-N 3.26Å
151A64.3Low71Confident48 Ų4891.1 Ų91.140%0.39756%0.555SS.*Hα-helixtrans-66.4-42.6175.400000111.2A147 L148 S154 Y155A147-A151 PolarHBondContact O-N 3.31Å; L148-A151 WeakPolarHBondContact O-CB 3.36Å; L148-A151 PolarHBondContact O-N 2.9Å; A151-S154 PolarHBondContact O-N 2.91Å; A151-Y155 WeakPolarHBondContact O-CD2 3.3Å; A151-Y155 WeakPolarHBondContact O-CE2 3.34Å
152F65.8Low72.7Confident136 Ų13690.3 Ų90.360%0.59654%0.541SS*.Hα-helixtrans-65.6-40.1175.5-71.6-67.5000112.6L148 E149 S154 Y155 S156L148-F152 HydrophobicContact CB-CD2 4.42Å; L148-F152 HydrophobicContact CB-CE2 4.16Å; L148-F152 HydrophobicContact CD2-CE2 3.78Å; L148-F152 HydrophobicContact CD2-CZ 4.35Å; L148-F152 WeakPolarHBondContact O-CD2 3.37Å; L148-F152 PolarHBondContact O-N 3.4Å; E149-F152 PolarHBondContact O-N 3.35Å; F152-S154 VanDerWaalsContact C-N 3.31Å; F152-S154 PolarHBondContact O-N 3.13Å; F152-Y155 PolarHBondContact O-N 2.93Å; F152-S156 PolarHBondContact O-OG 2.97Å
153S71.2Confident74.4Confident69 Ų6988.3 Ų88.348%0.48352%0.519SS..Hα-helixtrans-66.8-33.5176.1-62.70000112E149 Y155 S156E149-S153 VanDerWaalsContact O-CB 3.3Å; E149-S153 WeakPolarHBondContact O-CB 3.39Å; E149-S153 PolarHBondContact O-N 3.41Å; E149-S153 PolarHBondContact O-OG 3.48Å; S153-Y155 PolarHBondContact O-N 2.88Å; S153-Y155 VanDerWaalsContact O-N 3.14Å; S153-S156 WeakPolarHBondContact O-CB 3.46Å; S153-S156 PolarHBondContact O-N 3.46Å; S153-S156 PolarHBondContact O-OG 2.9Å
154S68.3Low76.1Confident82 Ų8289.2 Ų89.257%0.57352%0.52SS*.THydrogen-bonded Turntrans-66-16.2-178.8-161.40000114.4S150 A151 F152S150-S154 WeakPolarHBondContact O-CB 3.42Å; S150-S154 PolarHBondContact O-N 3.26Å; A151-S154 PolarHBondContact O-N 2.91Å; F152-S154 VanDerWaalsContact C-N 3.31Å; F152-S154 PolarHBondContact O-N 3.13Å
155Y66.2Low77.2Confident120 Ų12088.9 Ų88.947%0.47152%0.522SS..THydrogen-bonded Turntrans-95.2-10.7173.5-66.4-82.6000113.2A151 F152 S153 D157 L158 Q163A151-Y155 WeakPolarHBondContact O-CD2 3.3Å; A151-Y155 WeakPolarHBondContact O-CE2 3.34Å; F152-Y155 PolarHBondContact O-N 2.93Å; S153-Y155 PolarHBondContact O-N 2.88Å; S153-Y155 VanDerWaalsContact O-N 3.14Å; Y155-D157 VanDerWaalsContact C-N 3.29Å; Y155-D157 PolarHBondContact O-N 3.3Å; Y155-L158 HydrophobicContact CD1-CD1 3.73Å; Y155-L158 HydrophobicContact CE1-CD1 4.45Å; Y155-L158 WeakPolarHBondContact O-CB 3.26Å; Y155-L158 PolarHBondContact O-N 3.01Å; Y155-Q163 PolarHBondContact O-NE2 3.34Å
156S79.1Confident78.7Confident86 Ų8689.3 Ų89.360%0.60151%0.509SS*.THydrogen-bonded Turntrans-69.7-25.3-172.8-63.50000113.4F152 S153 L158F152-S156 PolarHBondContact O-OG 2.97Å; S153-S156 WeakPolarHBondContact O-CB 3.46Å; S153-S156 PolarHBondContact O-N 3.46Å; S153-S156 PolarHBondContact O-OG 2.9Å; S156-L158 VanDerWaalsContact C-N 3.31Å
157D85.4Confident80.2Confident157 Ų15792.4 Ų92.484%0.8451%0.509SS*.THydrogen-bonded Turntrans-81-11.2177.1-61.4-32.4000113.2Y155Y155-D157 VanDerWaalsContact C-N 3.29Å; Y155-D157 PolarHBondContact O-N 3.3Å
158L88.3Confident81.8Confident38 Ų3892.6 Ų92.620%0.19951%0.51CS..SBendtrans-86.1144.7-179.2-60.5171.7000110.7Y155 S156 E162 Q163Y155-L158 HydrophobicContact CD1-CD1 3.73Å; Y155-L158 HydrophobicContact CE1-CD1 4.45Å; Y155-L158 WeakPolarHBondContact O-CB 3.26Å; Y155-L158 PolarHBondContact O-N 3.01Å; S156-L158 VanDerWaalsContact C-N 3.31Å; L158-E162 HydrophobicContact CB-CB 4.24Å; L158-Q163 HydrophobicContact CB-CG 3.98Å; L158-Q163 PolarHBondContact O-NE2 3.11Å
159S90.7Very high83.3Confident64 Ų6492.2 Ų92.245%0.44852%0.517SS..  trans-67154.317364.90000111.5G161 E162 Q163S159-G161 PolarHBondContact O-N 3.13Å; S159-G161 VanDerWaalsContact O-N 3.15Å; S159-E162 PolarHBondContact N-OE2 3.41Å; S159-E162 WeakPolarHBondContact O-CA 3.48Å; S159-E162 WeakPolarHBondContact O-CB 3.37Å; S159-E162 PolarHBondContact O-N 2.97Å; S159-E162 VanDerWaalsContact OG-CD 3.32Å; S159-E162 VanDerWaalsContact OG-CG 3.29Å; S159-E162 WeakPolarHBondContact OG-CG 3.47Å; S159-E162 PolarHBondContact OG-OE2 3.16Å; S159-Q163 PolarHBondContact O-N 3.34Å
160E89.1Confident84.7Confident167 Ų16787.5 Ų87.578%0.7850%0.503SS*.Hα-helixtrans-51-40.7178.1-176.4-172.2-178.200112.2E162 Q163 E164E160-E162 VanDerWaalsContact C-N 3.32Å; E160-E162 PolarHBondContact O-N 2.9Å; E160-Q163 PolarHBondContact O-N 3.43Å; E160-E164 WeakPolarHBondContact O-CB 3.25Å; E160-E164 PolarHBondContact O-N 3.46Å
161G93.2Very high86.2Confident52 Ų5287.4 Ų87.454%0.53650%0.499SS..Hα-helixtrans-66.2-32.2178.100000113.7S159 A165S159-G161 PolarHBondContact O-N 3.13Å; S159-G161 VanDerWaalsContact O-N 3.15Å; G161-A165 WeakPolarHBondContact O-CB 3.26Å; G161-A165 PolarHBondContact O-N 3.39Å
162E92.6Very high87.7Confident87 Ų8788 Ų8841%0.40750%0.504SS..Hα-helixtrans-78.5-32.3176.3-73.4172.3135.400112.6L158 S159 E160 R166L158-E162 HydrophobicContact CB-CB 4.24Å; S159-E162 PolarHBondContact N-OE2 3.41Å; S159-E162 WeakPolarHBondContact O-CA 3.48Å; S159-E162 WeakPolarHBondContact O-CB 3.37Å; S159-E162 PolarHBondContact O-N 2.97Å; S159-E162 VanDerWaalsContact OG-CD 3.32Å; S159-E162 VanDerWaalsContact OG-CG 3.29Å; S159-E162 WeakPolarHBondContact OG-CG 3.47Å; S159-E162 PolarHBondContact OG-OE2 3.16Å; E160-E162 VanDerWaalsContact C-N 3.32Å; E160-E162 PolarHBondContact O-N 2.9Å; E162-R166 VanDerWaalsContact O-CG 3.32Å; E162-R166 WeakPolarHBondContact O-CG 3.36Å; E162-R166 PolarHBondContact O-N 3.01Å; E162-R166 PolarHBondContact O-NH1 2.75Å
163Q92.9Very high89.1Confident79 Ų7987.3 Ų87.337%0.36950%0.502SS..Hα-helixtrans-66.9-46.6171.3-66.9177.61.100110.3Y155 L158 S159 E160 A165 R166 F167Y155-Q163 PolarHBondContact O-NE2 3.34Å; L158-Q163 HydrophobicContact CB-CG 3.98Å; L158-Q163 PolarHBondContact O-NE2 3.11Å; S159-Q163 PolarHBondContact O-N 3.34Å; E160-Q163 PolarHBondContact O-N 3.43Å; Q163-A165 PolarHBondContact O-N 3.43Å; Q163-R166 PolarHBondContact O-N 2.94Å; Q163-F167 PolarHBondContact O-N 2.71Å
164E94.6Very high90.3Very high118 Ų11889.8 Ų89.855%0.55151%0.506SS*.Hα-helixtrans-63.1-41178.4-175.761-157.500111.8E160 R166 F167 A168E160-E164 WeakPolarHBondContact O-CB 3.25Å; E160-E164 PolarHBondContact O-N 3.46Å; E164-R166 VanDerWaalsContact C-N 3.32Å; E164-R166 PolarHBondContact O-N 3.3Å; E164-F167 PolarHBondContact O-N 3.1Å; E164-A168 WeakPolarHBondContact O-CB 3.41Å; E164-A168 PolarHBondContact O-N 2.87Å
165A95.1Very high91.6Very high61 Ų6192.8 Ų92.850%0.50451%0.51SS..Hα-helixtrans-61.6-40.5175.500000112.1G161 Q163 A169G161-A165 WeakPolarHBondContact O-CB 3.26Å; G161-A165 PolarHBondContact O-N 3.39Å; Q163-A165 PolarHBondContact O-N 3.43Å; A165-A169 VanDerWaalsContact O-CB 3.31Å; A165-A169 WeakPolarHBondContact O-CB 3.31Å; A165-A169 PolarHBondContact O-N 3.39Å
166R94.3Very high93Very high119 Ų11989.6 Ų89.645%0.44951%0.508SS..Hα-helixtrans-68.8-39.8176.5-75.2-179.6174.585.2-8.3112E162 Q163 E164 A169 G170E162-R166 VanDerWaalsContact O-CG 3.32Å; E162-R166 WeakPolarHBondContact O-CG 3.36Å; E162-R166 PolarHBondContact O-N 3.01Å; E162-R166 PolarHBondContact O-NH1 2.75Å; Q163-R166 PolarHBondContact O-N 2.94Å; E164-R166 VanDerWaalsContact C-N 3.32Å; E164-R166 PolarHBondContact O-N 3.3Å; R166-A169 PolarHBondContact O-N 3.36Å; R166-G170 PolarHBondContact O-N 3.42Å
167F94.4Very high93.6Very high137 Ų13789.7 Ų89.760%0.60150%0.5SS*.Hα-helixtrans-60.9-50.7173.4174.5-102.1000111.2Q163 E164 A169 G170 V171Q163-F167 PolarHBondContact O-N 2.71Å; E164-F167 PolarHBondContact O-N 3.1Å; F167-A169 VanDerWaalsContact C-N 3.3Å; F167-A169 PolarHBondContact O-N 3.07Å; F167-G170 PolarHBondContact O-N 3.44Å; F167-V171 HydrophobicContact CD1-CG2 4.32Å; F167-V171 HydrophobicContact CD2-CG2 4.37Å; F167-V171 HydrophobicContact CE1-CG2 3.87Å; F167-V171 HydrophobicContact CE2-CG2 3.92Å; F167-V171 HydrophobicContact CZ-CG2 3.65Å; F167-V171 WeakPolarHBondContact O-CG2 3.42Å; F167-V171 PolarHBondContact O-N 3.26Å
168A96.6Very high94.1Very high50 Ų5084.4 Ų84.441%0.41348%0.479SS..Hα-helixtrans-59.9-39.917800000112.2E164 V171 A172E164-A168 WeakPolarHBondContact O-CB 3.41Å; E164-A168 PolarHBondContact O-N 2.87Å; A168-V171 PolarHBondContact O-N 3.48Å; A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.4Å
169A94.9Very high94.4Very high60 Ų6085.7 Ų85.750%0.49648%0.484SS..Hα-helixtrans-62.7-46.4174.800000111.9A165 R166 F167 V171 A172 E173A165-A169 VanDerWaalsContact O-CB 3.31Å; A165-A169 WeakPolarHBondContact O-CB 3.31Å; A165-A169 PolarHBondContact O-N 3.39Å; R166-A169 PolarHBondContact O-N 3.36Å; F167-A169 VanDerWaalsContact C-N 3.3Å; F167-A169 PolarHBondContact O-N 3.07Å; A169-V171 PolarHBondContact O-N 2.89Å; A169-A172 PolarHBondContact O-N 3.21Å; A169-E173 PolarHBondContact O-N 3.3Å
170G95.9Very high94.5Very high30 Ų3085.5 Ų85.531%0.30949%0.486SS..Hα-helixtrans-62.7-40.7176.600000112.7R166 F167 A172 E173 Q174R166-G170 PolarHBondContact O-N 3.42Å; F167-G170 PolarHBondContact O-N 3.44Å; G170-A172 PolarHBondContact O-N 3.17Å; G170-E173 PolarHBondContact O-N 2.89Å; G170-Q174 WeakPolarHBondContact O-CG 3.39Å; G170-Q174 PolarHBondContact O-N 3.43Å
171V97.1Very high94.7Very high75 Ų7583.7 Ų83.746%0.45548%0.475SS..Hα-helixtrans-62.9-42.3174.4172.20000111.3F167 A168 A169 E173 Q174 F175F167-V171 HydrophobicContact CD1-CG2 4.32Å; F167-V171 HydrophobicContact CD2-CG2 4.37Å; F167-V171 HydrophobicContact CE1-CG2 3.87Å; F167-V171 HydrophobicContact CE2-CG2 3.92Å; F167-V171 HydrophobicContact CZ-CG2 3.65Å; F167-V171 WeakPolarHBondContact O-CG2 3.42Å; F167-V171 PolarHBondContact O-N 3.26Å; A168-V171 PolarHBondContact O-N 3.48Å; A169-V171 PolarHBondContact O-N 2.89Å; V171-E173 VanDerWaalsContact C-N 3.35Å; V171-Q174 PolarHBondContact O-N 3.34Å; V171-F175 PolarHBondContact O-N 2.96Å
172A95.9Very high94.4Very high60 Ų6087.2 Ų87.250%0.49648%0.481SS..Hα-helixtrans-64.1-39.3177.400000112.2A168 A169 G170 F175 A176A168-A172 WeakPolarHBondContact O-CB 3.48Å; A168-A172 PolarHBondContact O-N 3.4Å; A169-A172 PolarHBondContact O-N 3.21Å; G170-A172 PolarHBondContact O-N 3.17Å; A172-F175 PolarHBondContact O-N 3.17Å; A172-A176 PolarHBondContact O-N 3.27Å
173E95Very high94Very high122 Ų12290 Ų9057%0.5749%0.488SS*.Hα-helixtrans-61.5-47.5174.9-175-177.2177.200111.4A169 G170 V171 F175 A176 I177A169-E173 PolarHBondContact O-N 3.3Å; G170-E173 PolarHBondContact O-N 2.89Å; V171-E173 VanDerWaalsContact C-N 3.35Å; E173-F175 VanDerWaalsContact C-N 3.27Å; E173-F175 PolarHBondContact O-N 2.89Å; E173-A176 PolarHBondContact O-N 2.96Å; E173-A176 VanDerWaalsContact O-N 3.13Å; E173-I177 HydrophobicContact CG-CD1 4.09Å; E173-I177 WeakPolarHBondContact O-CG1 3.38Å; E173-I177 PolarHBondContact O-N 3.05Å
174Q97.4Very high93.5Very high121 Ų12189.4 Ų89.457%0.56550%0.497SS*.Hα-helixtrans-60.8-38.2176.6-67.4-56-54.200112G170 V171 I177 A178G170-Q174 WeakPolarHBondContact O-CG 3.39Å; G170-Q174 PolarHBondContact O-N 3.43Å; V171-Q174 PolarHBondContact O-N 3.34Å; Q174-I177 PolarHBondContact O-N 3.24Å; Q174-A178 WeakPolarHBondContact O-CB 3.4Å; Q174-A178 PolarHBondContact O-N 3.01Å
175F95.9Very high93Very high146 Ų14692.9 Ų92.964%0.6451%0.505SS*.Hα-helixtrans-64.3-43.4174.6-170.6-94.1000111.9V171 A172 E173 A178 E179V171-F175 PolarHBondContact O-N 2.96Å; A172-F175 PolarHBondContact O-N 3.17Å; E173-F175 VanDerWaalsContact C-N 3.27Å; E173-F175 PolarHBondContact O-N 2.89Å; F175-A178 PolarHBondContact O-N 3.25Å; F175-E179 WeakPolarHBondContact O-CB 3.47Å; F175-E179 PolarHBondContact O-N 3.21Å
176A95.4Very high91.5Very high52 Ų5294.3 Ų94.343%0.4351%0.511SS..Hα-helixtrans-63.1-42.217700000112.2A172 E173 E179 A180A172-A176 PolarHBondContact O-N 3.27Å; E173-A176 PolarHBondContact O-N 2.96Å; E173-A176 VanDerWaalsContact O-N 3.13Å; A176-E179 PolarHBondContact O-N 3.42Å; A176-A180 WeakPolarHBondContact O-CB 3.37Å; A176-A180 PolarHBondContact O-N 2.85Å
177I91.8Very high89.8Confident88 Ų8893.4 Ų93.445%0.45152%0.523SS..Hα-helixtrans-62-47.7175.4-67.3167.3000110.4E173 Q174 E179 A180 K181E173-I177 HydrophobicContact CG-CD1 4.09Å; E173-I177 WeakPolarHBondContact O-CG1 3.38Å; E173-I177 PolarHBondContact O-N 3.05Å; Q174-I177 PolarHBondContact O-N 3.24Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.47Å; I177-A180 PolarHBondContact O-N 3.27Å; I177-K181 VanDerWaalsContact O-CB 3.3Å; I177-K181 WeakPolarHBondContact O-CB 3.27Å; I177-K181 PolarHBondContact O-N 3.23Å
178A95.4Very high88.1Confident46 Ų4693.1 Ų93.138%0.3853%0.533SS..Hα-helixtrans-62-42178.600000111.8Q174 F175 K181 L182Q174-A178 WeakPolarHBondContact O-CB 3.4Å; Q174-A178 PolarHBondContact O-N 3.01Å; F175-A178 PolarHBondContact O-N 3.25Å; A178-K181 PolarHBondContact O-N 3.24Å; A178-L182 WeakPolarHBondContact O-CG 3.32Å; A178-L182 PolarHBondContact O-N 3.34Å
179E93.6Very high86.2Confident65 Ų6598.2 Ų98.230%0.30455%0.553SS.*Hα-helixtrans-64.8-45.5177.8-164.7-169.4-174.800111.7F175 A176 I177 K181 L182 R183F175-E179 WeakPolarHBondContact O-CB 3.47Å; F175-E179 PolarHBondContact O-N 3.21Å; A176-E179 PolarHBondContact O-N 3.42Å; I177-E179 VanDerWaalsContact C-N 3.34Å; I177-E179 PolarHBondContact O-N 3.47Å; E179-K181 VanDerWaalsContact C-N 3.3Å; E179-K181 PolarHBondContact O-N 3.26Å; E179-L182 PolarHBondContact O-N 2.97Å; E179-R183 VanDerWaalsContact CG-NH1 3.33Å; E179-R183 WeakPolarHBondContact O-CG 3.28Å; E179-R183 PolarHBondContact O-N 3.05Å; E179-R183 IonicContact OE1-CZ 3.12Å; E179-R183 IonicContact OE1-NH1 2.75Å; E179-R183 PolarHBondContact OE1-NH1 3.34Å; E179-R183 IonicContact OE1-NH2 2.71Å; E179-R183 PolarHBondContact OE1-NH2 3.45Å; E179-R183 IonicContact OE2-NH1 3.42Å; E179-R183 PolarHBondContact OE2-NH1 3.09Å
180A92.7Very high84.5Confident60 Ų6099 Ų9950%0.49657%0.566SS.*Hα-helixtrans-60.5-41.6174.900000111.4A176 I177 R183 A184A176-A180 WeakPolarHBondContact O-CB 3.37Å; A176-A180 PolarHBondContact O-N 2.85Å; I177-A180 PolarHBondContact O-N 3.27Å; A180-R183 PolarHBondContact O-N 3.09Å; A180-A184 PolarHBondContact O-N 3.32Å
181K94.1Very high82.5Confident129 Ų129106.2 Ų106.256%0.56159%0.592SS**Hα-helixtrans-62.6-46.7176.2-171.5173.2-179.4174.70111.5I177 A178 E179 R183 A184 W185I177-K181 VanDerWaalsContact O-CB 3.3Å; I177-K181 WeakPolarHBondContact O-CB 3.27Å; I177-K181 PolarHBondContact O-N 3.23Å; A178-K181 PolarHBondContact O-N 3.24Å; E179-K181 VanDerWaalsContact C-N 3.3Å; E179-K181 PolarHBondContact O-N 3.26Å; K181-R183 PolarHBondContact O-N 2.96Å; K181-A184 PolarHBondContact O-N 3.4Å; K181-W185 PolarHBondContact O-N 2.89Å
182L86.4Confident80.3Confident126 Ų126109.9 Ų109.966%0.6661%0.609SS**Hα-helixtrans-65-37.2177-71.2173.5000112.3A178 E179 W185 S186A178-L182 WeakPolarHBondContact O-CG 3.32Å; A178-L182 PolarHBondContact O-N 3.34Å; E179-L182 PolarHBondContact O-N 2.97Å; L182-W185 PolarHBondContact O-N 2.78Å; L182-S186 PolarHBondContact O-N 3.24Å
183R84.3Confident78.3Confident145 Ų145112.3 Ų112.355%0.54762%0.622SS.*Hα-helixtrans-63.6-41.6173.3-78.8-162175.591.613.3112.8E179 A180 K181 W185 S186 S187E179-R183 VanDerWaalsContact CG-NH1 3.33Å; E179-R183 WeakPolarHBondContact O-CG 3.28Å; E179-R183 PolarHBondContact O-N 3.05Å; E179-R183 IonicContact OE1-CZ 3.12Å; E179-R183 IonicContact OE1-NH1 2.75Å; E179-R183 PolarHBondContact OE1-NH1 3.34Å; E179-R183 IonicContact OE1-NH2 2.71Å; E179-R183 PolarHBondContact OE1-NH2 3.45Å; E179-R183 IonicContact OE2-NH1 3.42Å; E179-R183 PolarHBondContact OE2-NH1 3.09Å; A180-R183 PolarHBondContact O-N 3.09Å; K181-R183 PolarHBondContact O-N 2.96Å; R183-W185 PolarHBondContact O-N 3.32Å; R183-S186 PolarHBondContact O-N 3Å; R183-S186 PolarHBondContact O-OG 2.91Å; R183-S187 WeakPolarHBondContact O-CB 3.33Å; R183-S187 PolarHBondContact O-N 3.14Å; R183-S187 VanDerWaalsContact O-N 3.09Å
184A83.1Confident76.1Confident67 Ų67111.9 Ų111.955%0.55463%0.628SS**Hα-helixtrans-62.3-32.8176.100000111.9A180 K181A180-A184 PolarHBondContact O-N 3.32Å; K181-A184 PolarHBondContact O-N 3.4Å
185W84.3Confident73.9Confident192 Ų192112.3 Ų112.373%0.72763%0.634SS**Hα-helixtrans-79.6-28.9178.7-70.339.9000112.3K181 L182 R183K181-W185 PolarHBondContact O-N 2.89Å; L182-W185 PolarHBondContact O-N 2.78Å; R183-W185 PolarHBondContact O-N 3.32Å
186S63.3Low71.9Confident91 Ų91112 Ų11264%0.63664%0.639SS**Hα-helixtrans-83-15.6176.678.60000114.1L182 R183 V188L182-S186 PolarHBondContact O-N 3.24Å; R183-S186 PolarHBondContact O-N 3Å; R183-S186 PolarHBondContact O-OG 2.91Å; S186-V188 VanDerWaalsContact C-N 3.33Å; S186-V188 PolarHBondContact O-N 2.86Å
187S58.9Low70.1Confident99 Ų99113.6 Ų113.669%0.69265%0.648SS**THydrogen-bonded Turntrans-81.7-2.2-173.5-1680000114.8R183R183-S187 WeakPolarHBondContact O-CB 3.33Å; R183-S187 PolarHBondContact O-N 3.14Å; R183-S187 VanDerWaalsContact O-N 3.09Å
188V57.7Low68Low132 Ų132118.6 Ų118.680%0.866%0.662SS**THydrogen-bonded Turntrans-95.49.6-171.788.10000114.8S186S186-V188 VanDerWaalsContact C-N 3.33Å; S186-V188 PolarHBondContact O-N 2.86Å
189D58.2Low65.8Low157 Ų157124 Ų12484%0.8469%0.685SS**SBendtrans-129.440.1-172.3-160.429.2000114.1
190G58.5Low64.1Low75 Ų75127.2 Ų127.277%0.77370%0.7SS**  trans-160.927.1-171.900000120.1
191E53.4Low62.2Low182 Ų182131.7 Ų131.785%0.8572%0.715SS**  trans-126.957175.763178.9-162.500114.3
192D51.7Low59.7Low153 Ų153134.5 Ų134.582%0.81873%0.728SS**  trans-113.367.9158.7-73.1-21.1000108.6
193S54.2Low57.9Low111 Ų111132.7 Ų132.778%0.77673%0.731SS**  trans-103.695.8162.963.80000108.7D195S193-D195 PolarHBondContact O-N 3.29Å
194T48.6Very low55.5Low113 Ų113129.7 Ų129.769%0.69375%0.746SS**  trans-53.3100.1164.3-58.10000109.4D196T194-D196 VanDerWaalsContact C-N 3.32Å; T194-D196 HydrophobicContact CG2-CB 4.46Å; T194-D196 WeakPolarHBondContact CG2-OD2 3.42Å; T194-D196 PolarHBondContact O-N 3.25Å
195D50.9Low53.3Low129 Ų129130 Ų13069%0.6976%0.755SS**  trans-80.182.3166.4-178.315.4000108.3S193 S197S193-D195 PolarHBondContact O-N 3.29Å; D195-S197 PolarHBondContact O-N 3Å; D195-S197 WeakPolarHBondContact OD1-CB 3.48Å; D195-S197 PolarHBondContact OD1-N 3.15Å; D195-S197 PolarHBondContact OD1-OG 2.93Å
196D53.1Low51.2Low139 Ų139128.6 Ų128.674%0.74376%0.758SS**  trans-85.564.5162.7-71.1-41.3000108.4T194 Y198T194-D196 VanDerWaalsContact C-N 3.32Å; T194-D196 HydrophobicContact CG2-CB 4.46Å; T194-D196 WeakPolarHBondContact CG2-OD2 3.42Å; T194-D196 PolarHBondContact O-N 3.25Å; D196-Y198 VanDerWaalsContact C-N 3.29Å; D196-Y198 PolarHBondContact O-N 2.85Å; D196-Y198 VanDerWaalsContact O-N 3.07Å
197S58.5Low50.1Low87 Ų87130.9 Ų130.961%0.60876%0.764SS**  trans-75.790.1161.750.40000108.7D195 D199D195-S197 PolarHBondContact O-N 3Å; D195-S197 WeakPolarHBondContact OD1-CB 3.48Å; D195-S197 PolarHBondContact OD1-N 3.15Å; D195-S197 PolarHBondContact OD1-OG 2.93Å; S197-D199 PolarHBondContact O-N 3.38Å; S197-D199 VanDerWaalsContact O-N 3.11Å
198Y47.3Very low49.1Very low192 Ų192133.3 Ų133.375%0.75377%0.774SS**  trans-7294.4174.9-159.8-106.4000108.7D196 E200D196-Y198 VanDerWaalsContact C-N 3.29Å; D196-Y198 PolarHBondContact O-N 2.85Å; D196-Y198 VanDerWaalsContact O-N 3.07Å; Y198-E200 HydrophobicContact CD1-CG 3.56Å; Y198-E200 HydrophobicContact CE1-CG 3.53Å; Y198-E200 WeakPolarHBondContact CE1-OE1 3.25Å; Y198-E200 PolarHBondContact O-N 3.28Å; Y198-E200 VanDerWaalsContact O-N 3.09Å
199D49.1Very low48.1Very low161 Ų161133.5 Ų133.586%0.86177%0.771SS**  trans-69.396.3167-101.4-22.1000108.4S197 D201S197-D199 PolarHBondContact O-N 3.38Å; S197-D199 VanDerWaalsContact O-N 3.11Å; D199-D201 PolarHBondContact O-N 3.5Å; D199-D201 VanDerWaalsContact O-N 3.13Å
200E57.1Low47.2Very low132 Ų132134 Ų13462%0.61777%0.77SS**  trans-74.696.8163.5-80.5-96121.600108.5Y198 F202Y198-E200 HydrophobicContact CD1-CG 3.56Å; Y198-E200 HydrophobicContact CE1-CG 3.53Å; Y198-E200 WeakPolarHBondContact CE1-OE1 3.25Å; Y198-E200 PolarHBondContact O-N 3.28Å; Y198-E200 VanDerWaalsContact O-N 3.09Å; E200-F202 PolarHBondContact O-N 2.93Å
201D53.5Low46Very low154 Ų154135.5 Ų135.582%0.82478%0.775SS**  trans-59.196.1168.2-157.27.8000109.9D199D199-D201 PolarHBondContact O-N 3.5Å; D199-D201 VanDerWaalsContact O-N 3.13Å
202F41.9Very low45.2Very low187 Ų187130.4 Ų130.482%0.8277%0.771SS**  trans-108.290.7164.7-113.2-83.9000110.1E200E200-F202 PolarHBondContact O-N 2.93Å
203A47.5Very low44.4Very low89 Ų89132.7 Ų132.774%0.73678%0.777SS**  trans-51.3133.7161.800000111.5
204G35Very low43.4Very low82 Ų82135.3 Ų135.385%0.84578%0.782SS**  trans164.3103.8161.800000115.5
205G36.6Very low43.2Very low72 Ų72134.9 Ų134.974%0.74278%0.781SS**  trans122.279.9139.600000117.8
206M39.4Very low42.6Very low164 Ų164137.4 Ų137.481%0.80879%0.793SS**  51.1111.7127-66.8159.464.300120.4
207D41.4Very low41.6Very low139 Ų139134 Ų13474%0.74379%0.791SS**  48.6113.3122.1-27.2-36.6000119.5
208T38.3Very low40.8Very low149 Ų149136.6 Ų136.691%0.91481%0.806SS**  trans-157.2113.4132-42.90000110.9
209D37Very low40.5Very low136 Ų136135.1 Ų135.173%0.72781%0.806SS**  trans-89.7149.8174.6-110.6-27.1000111.7
210M38.9Very low40.3Very low167 Ų167134.5 Ų134.582%0.82380%0.801SS**  trans70.7108.9149.4-60-66.8156.100121.5
211A32.9Very low39.6Very low107 Ų107137.7 Ų137.788%0.88482%0.816SS**  150.1124.610900000113.2
212G36.4Very low38.8Very low75 Ų75137.2 Ų137.277%0.77381%0.814SS**  trans170.368.9169.300000118.2
213Q35.6Very low39.1Very low202 Ų202135.4 Ų135.494%0.94481%0.812SS**  trans57.3128.2146-54.1-15167.800123.2
214L32.3Very low38.9Very low165 Ų165140.8 Ų140.886%0.86482%0.819SS**  trans-56.3-177.6169-75.3154.3000115.9
215P43.9Very low39.3Very low104 Ų104143.3 Ų143.368%0.67582%0.818SS**  cis-132.4137.8-47.634.7-17.5000112
216L38.5Very low39.2Very low182 Ų182143 Ų14395%0.95382%0.815SS**  trans-123.6132.5162.8-90.794.7000110.1
217G31.8Very low39Very low68 Ų68142 Ų14270%0.70181%0.808SS**  trans-68.5169.7-156.400000117.5H219G217-H219 PolarHBondContact O-N 3.33Å
218P41.7Very low38.7Very low141 Ų141146.4 Ų146.492%0.91682%0.815SS**  trans-83.4103.2-179.432.6-29.1000109.8
219H40.9Very low38.6Very low162 Ų162147.4 Ų147.475%0.7581%0.806SS**  trans-101.2105.5167-174.3-93.1000108.8G217G217-H219 PolarHBondContact O-N 3.33Å
220L45Very low38.4Very low147 Ų147146.4 Ų146.477%0.7781%0.81SS**  trans50.175.2156.6-58.4-179000117.3
221Q42.5Very low38.1Very low199 Ų199149.6 Ų149.693%0.9381%0.813SS**  trans-12672153.5-64.5-152.180.600109.3
222D37.9Very low38.3Very low145 Ų145149.9 Ų149.978%0.77581%0.806SS**  trans-151.982.6168.3-153.417.3000109.3
223L47.7Very low38.3Very low149 Ų149152.7 Ų152.778%0.7881%0.808SS**SBendtrans-150.9-1.2166.7-102.8177.7000115.5
224F42.8Very low38.4Very low202 Ų202154.8 Ų154.889%0.88681%0.807SS**  trans-143.860.1176.9-64.4-71.5000113.3
225T42.8Very low38.4Very low134 Ų134155.6 Ų155.682%0.82281%0.806SS**SBendtrans-125.3112.2157.6-42.80000108.7
226G34.9Very low37.8Very low66 Ų66154.2 Ų154.268%0.6881%0.811SS**  trans-55.1136.3-165.400000114.4R228G226-R228 PolarHBondContact O-N 2.84Å
227H35Very low37.5Very low144 Ų144151.1 Ų151.167%0.66781%0.805SS**  trans-55.695.6166-167.5-3.7000109.8F229H227-F229 HydrophobicContact CB-CE2 4.41Å; H227-F229 AromaticContact CD2-CE1 3.76Å; H227-F229 AromaticContact CD2-CE2 3.63Å; H227-F229 AromaticContact CD2-CZ 3.3Å; H227-F229 WeakPolarHBondContact CD2-CZ 3.42Å; H227-F229 AromaticContact CE1-CD1 3.67Å; H227-F229 AromaticContact CE1-CE1 3.54Å; H227-F229 AromaticContact CE1-CZ 3.88Å; H227-F229 AromaticContact CG-CE2 3.84Å; H227-F229 AromaticContact CG-CZ 3.95Å; H227-F229 AromaticContact NE2-CD1 3.83Å; H227-F229 AromaticContact NE2-CE1 3.19Å; H227-F229 WeakPolarHBondContact NE2-CE1 3.48Å; H227-F229 AromaticContact NE2-CE2 3.96Å; H227-F229 AromaticContact NE2-CZ 3.28Å; H227-F229 VanDerWaalsContact NE2-CZ 3.28Å; H227-F229 WeakPolarHBondContact NE2-CZ 3.16Å; H227-F229 PolarHBondContact O-N 3.44Å
228R35.8Very low37.6Very low231 Ų231154.3 Ų154.387%0.87281%0.81SS**  trans-72.6100.9163.4-71.4-96.6-80.9176.5-5.3106.8G226 S230G226-R228 PolarHBondContact O-N 2.84Å; R228-S230 PolarHBondContact O-N 2.91Å; R228-S230 VanDerWaalsContact O-N 3.15Å
229F35.7Very low37.4Very low169 Ų169154.9 Ų154.974%0.74180%0.801SS**  trans-66110.4169.5-75.8-82.9000109.3H227 R231H227-F229 HydrophobicContact CB-CE2 4.41Å; H227-F229 AromaticContact CD2-CE1 3.76Å; H227-F229 AromaticContact CD2-CE2 3.63Å; H227-F229 AromaticContact CD2-CZ 3.3Å; H227-F229 WeakPolarHBondContact CD2-CZ 3.42Å; H227-F229 AromaticContact CE1-CD1 3.67Å; H227-F229 AromaticContact CE1-CE1 3.54Å; H227-F229 AromaticContact CE1-CZ 3.88Å; H227-F229 AromaticContact CG-CE2 3.84Å; H227-F229 AromaticContact CG-CZ 3.95Å; H227-F229 AromaticContact NE2-CD1 3.83Å; H227-F229 AromaticContact NE2-CE1 3.19Å; H227-F229 WeakPolarHBondContact NE2-CE1 3.48Å; H227-F229 AromaticContact NE2-CE2 3.96Å; H227-F229 AromaticContact NE2-CZ 3.28Å; H227-F229 VanDerWaalsContact NE2-CZ 3.28Å; H227-F229 WeakPolarHBondContact NE2-CZ 3.16Å; H227-F229 PolarHBondContact O-N 3.44Å; F229-R231 PolarHBondContact O-N 3Å
230S33.7Very low37.6Very low116 Ų116153.1 Ų153.181%0.81180%0.804SS**  trans-75.3114.1165.740.40000109.1R228R228-S230 PolarHBondContact O-N 2.91Å; R228-S230 VanDerWaalsContact O-N 3.15Å
231R32.5Very low37.3Very low233 Ų233154.7 Ų154.788%0.87981%0.807SS**PPolyproline II helixtrans-72129.2174.7-175174.4164.5-178.7-4.1109.3F229 V233F229-R231 PolarHBondContact O-N 3Å; R231-V233 PolarHBondContact O-N 3.3Å
232P36.8Very low37.1Very low113 Ų113150.6 Ų150.673%0.73480%0.8SS**PPolyproline II helixtrans-7412817626.7-30.2000110.8R234P232-R234 PolarHBondContact O-N 3.23Å
233V36.3Very low37.1Very low134 Ų134151.2 Ų151.281%0.81280%0.804SS**PPolyproline II helixtrans-61122.5163.9163.80000108.6R231R231-V233 PolarHBondContact O-N 3.3Å
234R37.3Very low36.4Very low247 Ų247149.5 Ų149.593%0.93280%0.803SS**  trans-112121.4162.7-97.7-76.9171.9131.9-1.7108.8P232P232-R234 PolarHBondContact O-N 3.23Å
235Q33.8Very low36.3Very low181 Ų181146.2 Ų146.285%0.84681%0.805SS**  trans-93.3136.7-176.1-165173.513.200109.2
236G31.3Very low36.3Very low75 Ų75147.5 Ų147.577%0.77380%0.802SS**  trans81.8115.8149.200000118.4
237S31.3Very low36.7Very low117 Ų117151.1 Ų151.182%0.81881%0.811SS**  trans-169.7100.6130.4-1710000111.3
238V33.5Very low37Very low135 Ų135149.8 Ų149.882%0.81881%0.812SS**  trans31.6116.8138177.60000118.7
239E37Very low37.1Very low153 Ų153142.8 Ų142.872%0.71580%0.799SS**  trans-41.5157.9157.8-100.9105.7108.700114.5
240P45.9Very low37.4Very low126 Ų126140.1 Ų140.182%0.81880%0.799SS**  -129.6141.3106.134.6-26.3000113.5
241E38Very low37.8Very low179 Ų179140.7 Ų140.784%0.83679%0.793SS**  trans-59.1128171.1-44.9177.2124.600109.2
242S39.3Very low38.8Very low113 Ų113133.7 Ų133.779%0.7978%0.776SS**  trans-142.496.1168.7-161.60000109.5C244S242-C244 PolarHBondContact O-N 2.98Å
243D37Very low39.2Very low159 Ų159135.1 Ų135.185%0.8578%0.776SS**  trans-61.2119.3167.6-73.3-46.7000110.3
244C33.1Very low39.5Very low113 Ų113133.6 Ų133.676%0.76477%0.771SS**  trans-148.1106.1158.2-95.70000109.6S242 Q246S242-C244 PolarHBondContact O-N 2.98Å; C244-Q246 PolarHBondContact O-N 3.18Å
245S41.6Very low39.7Very low132 Ų132126.5 Ų126.592%0.92376%0.759SS**  trans-64.3107.1161.3-54.30000109.2
246Q41.7Very low40.2Very low161 Ų161122.7 Ų122.775%0.75275%0.752SS**  trans-147.3120.2164.5-154.6147.322.700110.4C244 V248C244-Q246 PolarHBondContact O-N 3.18Å; Q246-V248 PolarHBondContact O-N 3.2Å; Q246-V248 VanDerWaalsContact O-N 3.11Å
247T44.8Very low40.6Very low143 Ų143126.6 Ų126.688%0.87776%0.755SS**  trans-58.210817351.80000109.2
248V40.2Very low41.2Very low115 Ų115126.5 Ų126.570%0.69775%0.752SS**  trans-100.5118175.9-96.60000109.9Q246Q246-V248 PolarHBondContact O-N 3.2Å; Q246-V248 VanDerWaalsContact O-N 3.11Å
249S37.4Very low41.5Very low85 Ų85125.4 Ų125.459%0.59475%0.751SS**  trans-52.9152.5166-75.20000111.7D251 T252S249-D251 PolarHBondContact O-N 2.93Å; S249-T252 PolarHBondContact O-OG1 2.9Å
250P42.9Very low41.9Very low112 Ų112126.1 Ų126.173%0.72776%0.759SS**G310 helixtrans-66.80.3-173.927-34.8000115.8
251D42.8Very low42Very low129 Ų129128.7 Ų128.769%0.6976%0.76SS**G310 helixtrans-88.8-8.4-174.8-58.6-47.2000114.5S249S249-D251 PolarHBondContact O-N 2.93Å
252T52.7Low42.3Very low85 Ų85128.7 Ų128.752%0.52177%0.766SS.*G310 helixtrans-94-1.2-176.250.50000115.2S249S249-T252 PolarHBondContact O-OG1 2.9Å
253L44.4Very low42.5Very low143 Ų143126.5 Ų126.575%0.74976%0.761SS**SBendtrans-83.3-13.1174.6-66.7178.1000113.4
254C44.2Very low42.9Very low102 Ų102126.9 Ų126.969%0.68976%0.762SS**SBendtrans-83.3-10.2179.3-66.50000113.9
255S39.9Very low43.4Very low98 Ų98129.8 Ų129.869%0.68577%0.769SS**SBendtrans-96.8-8.2-178.6-56.50000114.5
256S45.6Very low43.3Very low101 Ų101126.6 Ų126.671%0.70676%0.757SS**SBendtrans-99.6-3.1-177.5-169.90000114.9
257L39.8Very low43.1Very low158 Ų158122.3 Ų122.383%0.82775%0.745SS**SBendtrans-106.42176-68.2175.1000113.7
258C44.3Very low43.2Very low114 Ų114121 Ų12177%0.7774%0.738SS**SBendtrans-10418.2179.1-62.60000114.1
259S38.7Very low43.3Very low112 Ų112118.8 Ų118.878%0.78373%0.733SS**SBendtrans-133.729.8-179.8-153.30000114
260L45.3Very low43.8Very low168 Ų168124.2 Ų124.288%0.8874%0.74SS**SBendtrans-141.758.4174.6-164.671.6000112.2
261E48.7Very low43.9Very low180 Ų180124.7 Ų124.784%0.84174%0.736SS**SBendtrans-147.11.115964.4-172.5155.100115.6G263E261-G263 VanDerWaalsContact C-N 3.28Å; E261-G263 PolarHBondContact O-N 2.79Å
262D44Very low44Very low180 Ų180122 Ų12296%0.96373%0.731SS**THydrogen-bonded Turntrans-89.636.7-170.3-135.96.3000114.8
263G42.9Very low43.6Very low67 Ų67122.4 Ų122.469%0.69174%0.737SS**THydrogen-bonded Turntrans-143.7-2.7-173.700000117.9E261E261-G263 VanDerWaalsContact C-N 3.28Å; E261-G263 PolarHBondContact O-N 2.79Å
264L46.9Very low43.7Very low166 Ų166122.8 Ų122.887%0.86974%0.735SS**SBendtrans-125.916.7-174.8-75.2179.2000115.7
265L43Very low43.7Very low175 Ų175125.2 Ų125.292%0.91674%0.741SS**  trans-120.281.7166.1-69.2174.3000109.4S267L265-S267 PolarHBondContact O-N 2.74Å
266G40.1Very low44Very low64 Ų64128 Ų12866%0.6675%0.747SS**  trans-54.3131166.700000110.3
267S37.3Very low43.8Very low72 Ų72125.5 Ų125.550%0.50374%0.738SS.*  trans-36.4132.1174.2179.10000112.7L265 A269 R270L265-S267 PolarHBondContact O-N 2.74Å; S267-A269 PolarHBondContact O-N 3.24Å; S267-R270 PolarHBondContact O-N 3.35Å; S267-R270 VanDerWaalsContact O-N 3.1Å
268P45.1Very low44Very low114 Ų114125.2 Ų125.274%0.7474%0.737SS**THydrogen-bonded Turntrans-55.5-17.7-179.7-21.929.8000114.2R270P268-R270 VanDerWaalsContact C-N 3.31Å; P268-R270 PolarHBondContact O-N 2.98Å
269A44.1Very low43.9Very low70 Ų70128.7 Ų128.758%0.57974%0.742SS**THydrogen-bonded Turntrans-69.2-20.517900000114.2S267S267-A269 PolarHBondContact O-N 3.24Å
270R47.2Very low44.3Very low198 Ų198130.7 Ų130.775%0.74774%0.743SS**THydrogen-bonded Turntrans-90.4-22-176.1-61.7-169.280.8167.94.2114.5S267 P268S267-R270 PolarHBondContact O-N 3.35Å; S267-R270 VanDerWaalsContact O-N 3.1Å; P268-R270 VanDerWaalsContact C-N 3.31Å; P268-R270 PolarHBondContact O-N 2.98Å
271L44.9Very low44.4Very low123 Ų123130.7 Ų130.764%0.64474%0.743SS**THydrogen-bonded Turntrans-76.6-24.5178.1-66.5177.2000112.7S273 Q274L271-S273 VanDerWaalsContact C-N 3.35Å; L271-Q274 PolarHBondContact O-N 3.15Å
272A43.8Very low43.7Very low71 Ų71130.6 Ų130.659%0.58775%0.747SS**THydrogen-bonded Turntrans-70-29.6175.700000113
273S45Very low43.4Very low94 Ų94126.8 Ų126.866%0.65774%0.74SS**THydrogen-bonded Turntrans-80.7-13.8179.4-53.80000114L271L271-S273 VanDerWaalsContact C-N 3.35Å
274Q46.6Very low43.2Very low151 Ų151133 Ų13371%0.70675%0.748SS**THydrogen-bonded Turntrans-96-19.2-176.7-147.8148.153.900112.8L271L271-Q274 PolarHBondContact O-N 3.15Å
275L44.9Very low42.6Very low153 Ų153133.1 Ų133.180%0.80175%0.749SS**THydrogen-bonded Turntrans-85.9-8.2173.9-99.8156.7000114.2
276L45Very low42.3Very low157 Ų157130 Ų13082%0.82274%0.739SS**THydrogen-bonded Turntrans-106.68.7178-154.472.1000113
277G42.3Very low42.1Very low49 Ų49133.1 Ų133.151%0.50575%0.748SS.*SBendtrans-98.2-17.6-176.300000115.7
278D42.8Very low41.8Very low152 Ų152135.6 Ų135.681%0.81377%0.765SS**SBendtrans-106.28.3-169-80.9-10.4000114.8L280D278-L280 PolarHBondContact O-N 3.13Å
279E43.6Very low41.6Very low186 Ų186140 Ų14087%0.86977%0.767SS**THydrogen-bonded Turntrans-96.531175.5-78.6-76.8141.800112.7
280L47.3Very low41.2Very low155 Ų155144 Ų14481%0.81277%0.774SS**THydrogen-bonded Turntrans-125.68-178.8-107.9164.6000115.6D278D278-L280 PolarHBondContact O-N 3.13Å
281L45.9Very low40.7Very low168 Ų168140.4 Ų140.488%0.8878%0.779SS**SBendtrans-128.750.7-179.9-68.4-176.4000114.9
282L35.5Very low40.1Very low178 Ų178138.1 Ų138.193%0.93278%0.778SS**  trans-143.766.9160.1-147.669.5000113.4
283A36.5Very low39.6Very low99 Ų99144.9 Ų144.982%0.81879%0.794SS**  trans-97.4103.316400000110.3
284K38.8Very low39.4Very low197 Ų197152 Ų15286%0.85781%0.807SS**  trans167.3111.4144.3-104.1-94.3-178.2168.20112.2
285L35.1Very low38.9Very low169 Ų169149.8 Ų149.889%0.88581%0.808SS**  trans-171.4150137-94.2159.7000108.2
286P36.2Very low38.8Very low109 Ų109150.3 Ų150.371%0.70881%0.811SS**PPolyproline II helixtrans-82.1164.4-153.434.4-36.5000114.6S288P286-S288 PolarHBondContact O-N 3.09Å
287P36.8Very low38.2Very low131 Ų131146.1 Ų146.185%0.85181%0.805SS**PPolyproline II helixtrans-78.8118.1-173.531.6-31.7000111.1
288S30.7Very low38.3Very low123 Ų123150 Ų15086%0.8682%0.822SS**PPolyproline II helixtrans-84.4127.6159.2-174.70000108.7P286P286-S288 PolarHBondContact O-N 3.09Å
289R41.2Very low37.9Very low207 Ų207150.1 Ų150.178%0.78182%0.822SS**PPolyproline II helixtrans-64.6162.5-175.6177.6-176172.6-169.2-3.3112.8
290E35.7Very low37.3Very low155 Ų155149.4 Ų149.472%0.72482%0.818SS**  trans95.383.4175-65.9117.6-141.200114.9
291S35.8Very low37Very low121 Ų121148.4 Ų148.485%0.84682%0.819SS**  56.299.872177.80000115.1
292A33.5Very low36.3Very low75 Ų75149.4 Ų149.462%0.6282%0.819SS**  -162.4131.6126.500000110.3
293F33.3Very low36.2Very low213 Ų213148.2 Ų148.293%0.93481%0.814SS**  trans79.979.9173.7-48.2-71.7000117.3
294R39.8Very low36Very low243 Ų243149.5 Ų149.592%0.91782%0.817SS**  trans-109.1119.6155.1-136.4-100.5-84.6-146.7-2.3107.1
295S35.4Very low36.1Very low105 Ų105148 Ų14873%0.73482%0.817SS**  trans163124.1156.5-100.80000108.7
296L42.8Very low36Very low164 Ų164149.9 Ų149.986%0.85981%0.814SS**  cis-149.1152.22.6-77.3166.6000107.2
297G34.3Very low35.9Very low69 Ų69151.2 Ų151.271%0.71182%0.815SS**  trans-76.6-174.5-176.200000115.7
298P42.6Very low35.9Very low130 Ų130149.5 Ų149.584%0.84481%0.806SS**  trans-84.7146.3-176.735-31.4000111
299L34.7Very low36.8Very low156 Ų156149.3 Ų149.382%0.81780%0.802SS**  trans-128.8103.4172.6-161.772.2000111.3
300E32.4Very low36.7Very low170 Ų170146.6 Ų146.679%0.79480%0.802SS**  trans26131.4136-71.5162.7133.800121.7
301T39.6Very low36.8Very low134 Ų134145.9 Ų145.982%0.82281%0.809SS**  trans-60.2135.3159.4-0.90000113.2
302Q31.2Very low36.7Very low189 Ų189148.8 Ų148.888%0.88381%0.809SS**  180152.3128.8-104.1-172.77600114.5
303D34.8Very low36.5Very low153 Ų153150.8 Ų150.882%0.81882%0.818SS**  trans-64.5150.4-175.8-57.7-65.8000116.1
304S32.1Very low36.7Very low127 Ų127146.1 Ų146.189%0.88881%0.811SS**  trans-166.2139.4135.374.80000113.3
305L40.4Very low36.2Very low165 Ų165143 Ų14386%0.86481%0.812SS**  trans-82.6141.8177.5-68133.9000112
306Y32.9Very low36.2Very low209 Ų209143.3 Ų143.382%0.8281%0.814SS**  -178.8138.9125.2-129.4-133.7000114.3
307N34Very low36.5Very low137 Ų137141.4 Ų141.473%0.73381%0.811SS**  trans92118.7151.1-66.9-35.8000123.9
308S37.7Very low36.2Very low94 Ų94142 Ų14266%0.65781%0.809SS**  trans-106.1162161.6-177.60000108.7
309P48.5Very low36Very low120 Ų120144.9 Ų144.978%0.77981%0.811SS**  -142.6140.880.223.31000114.4
310L39Very low36.2Very low149 Ų149147 Ų14778%0.7882%0.817SS**  62.511084.5-82.2162.9000117.7
311T38.7Very low36.5Very low140 Ų140145.7 Ų145.786%0.85981%0.811SS**  trans-159.2100.3142.933.10000106.8
312E33.3Very low36.9Very low182 Ų182145 Ų14585%0.8581%0.808SS**  50112.898.9-76.1-139.6131.100115.7
313S30.1Very low37.2Very low117 Ų117139 Ų13982%0.81879%0.791SS**  171.9120.498-158.70000111.3
314C35.8Very low37.7Very low116 Ų116137.2 Ų137.278%0.78479%0.788SS**  trans-79.6162.1165.2-60.20000110.3
315L30.6Very low37.5Very low177 Ų177135.6 Ų135.693%0.92778%0.776SS**  trans172.8125.1134-85.8-174.5000110.5
316S34.9Very low37.1Very low111 Ų111135.9 Ų135.978%0.77677%0.77SS**  trans-87-168.4157.9-41.20000109
317P48.3Very low37.1Very low125 Ų125132.1 Ų132.181%0.81276%0.764SS**  cis-127.6-164.4-27.234.7-13.2000111.3
318A29.3Very low37Very low80 Ų80131.1 Ų131.166%0.66177%0.767SS**  trans115.2122155.300000119.2
319E37.2Very low37Very low191 Ų191135.2 Ų135.289%0.89378%0.776SS**  trans68.9115.9131.3-60.2172.4176.400120.8
320E38.7Very low36.5Very low201 Ų201134.6 Ų134.694%0.93977%0.771SS**  171.5131.6113.9-165.9166.2107.300111.6
321E39.9Very low36.2Very low143 Ų143135.1 Ų135.167%0.66877%0.774SS**  trans-106.2159.5178.2-137.6-101.9142.700108.4A323E321-A323 PolarHBondContact OE1-N 3.11Å; E321-A323 WeakPolarHBondContact OE2-CB 3.11Å; E321-A323 PolarHBondContact OE2-N 3.07Å
322P47Very low36.1Very low118 Ų118134.2 Ų134.277%0.76677%0.772SS**  -152.6132.795.433.9-13.1000118
323A39.1Very low36.4Very low64 Ų64131.3 Ų131.353%0.52977%0.769SS.*  20.7155.6126.200000119.6E321E321-A323 PolarHBondContact OE1-N 3.11Å; E321-A323 WeakPolarHBondContact OE2-CB 3.11Å; E321-A323 PolarHBondContact OE2-N 3.07Å
324P43.3Very low37.6Very low116 Ų116131.5 Ų131.575%0.75377%0.768SS**  cis-146175.244.326.70.6000114.9
325C29.1Very low37.2Very low93 Ų93133.7 Ų133.763%0.62877%0.77SS**  cis-170.41488.7-119.60000108.1
326K32.4Very low37Very low171 Ų171131.8 Ų131.874%0.74377%0.766SS**  trans76.7130.6133.7-70.3175.1-178.9176.50118.4
327D31.5Very low36.8Very low129 Ų129129 Ų12969%0.6976%0.755SS**  cis-159.913918.9-92.8-38.2000111.9
328C32.2Very low36.4Very low116 Ų116128.5 Ų128.578%0.78476%0.755SS**  trans56.7105137.1-55.60000121.5
329Q38.5Very low36.4Very low181 Ų181134.9 Ų134.985%0.84676%0.762SS**  trans-87.6154.7140.4-108.3-154-25.700109.6
330P38.5Very low36.6Very low106 Ų106134.2 Ų134.269%0.68876%0.759SS**  -151.2150.4110.130.1-9000116.5
331L31.6Very low36.4Very low160 Ų160135.4 Ų135.484%0.83875%0.754SS**  trans75125.3145.8-60.2160.1000120.1
332C35.8Very low36.2Very low122 Ų122137 Ų13782%0.82476%0.762SS**  trans-79.7152.4162.2-62.80000110.5
333P40Very low35.9Very low121 Ų121142.1 Ų142.179%0.78677%0.766SS**  -149.3-176.894.240.2-19.5000113.9
334P55.5Low35.9Very low121 Ų121147.7 Ų147.779%0.78678%0.781SS**  trans-95.6148.9-146.438.3-35000114.7
335L27Very low35.6Very low161 Ų161146.2 Ų146.284%0.84378%0.779SS**  trans-169.8127.6160.8-150.257000113.5
336V27.9Very low36.3Very low138 Ų138146.6 Ų146.684%0.83678%0.783SS**  trans53.3129.6137.1171.30000119.8
337G30.4Very low37.2Very low53 Ų53146.6 Ų146.655%0.54679%0.79SS.*  trans161.737.2149.300000117.9W339G337-W339 PolarHBondContact O-N 3.21Å
338S38.9Very low38.1Very low114 Ų114146.4 Ų146.480%0.79779%0.794SS**  trans-61.5115.7156.7176.60000109.1
339W29.2Very low38.8Very low214 Ų214145.6 Ų145.681%0.81180%0.796SS**  trans-144.292.4158.657.6-82.6000106G337G337-W339 PolarHBondContact O-N 3.21Å
340E41.3Very low39.2Very low177 Ų177142.4 Ų142.483%0.82779%0.793SS**  40.99585.5-89.8-179.3163.400115.3
341R34.6Very low39.9Very low225 Ų225143.1 Ų143.185%0.84980%0.8SS**  trans-158.9111.9132.1-158.9177.1-75.4-156.8-1.2105.2
342Q37.1Very low40.5Very low177 Ų177138.3 Ų138.383%0.82779%0.79SS**  -166.412958.8-171.3161.7-86.200112.1
343R40.4Very low40.8Very low225 Ų225139.5 Ų139.585%0.84979%0.793SS**  trans-30.7149.7156.8-50-174-169.9-1299.6113.7
344Q39Very low41.2Very low181 Ų181139.8 Ų139.885%0.84679%0.792SS**  -161.2130.258.1-84.8174.3-3400110.2
345A36.2Very low41Very low86 Ų86139.4 Ų139.471%0.71179%0.792SS**  69.396109.300000114.1
346S44Very low42Very low101 Ų101139.3 Ų139.371%0.70679%0.792SS**  58.6117.184.871.90000113.8
347D50.8Low43.3Very low170 Ų170139.2 Ų139.291%0.90979%0.787SS**  -160139.5123.3-96.4-23000114
348V51.5Low44.2Very low126 Ų126146 Ų14676%0.76480%0.804SS**  trans-74.7142.5174.9158.30000109.5
349A46.1Very low44.8Very low99 Ų99147.7 Ų147.782%0.81880%0.804SS**  trans-14085.3155.400000110.2S351A349-S351 PolarHBondContact O-N 3.1Å
350S48.3Very low45.9Very low113 Ų113146 Ų14679%0.7981%0.805SS**  trans-61.9116.5148.3-74.60000107.8G352S350-G352 PolarHBondContact O-N 3.46Å
351S51.8Low46.6Very low121 Ų121143.1 Ų143.185%0.84680%0.802SS**  trans-84.8107.3169.9179.90000108.5A349A349-S351 PolarHBondContact O-N 3.1Å
352G43.8Very low47.4Very low59 Ų59140.4 Ų140.461%0.60880%0.799SS**  trans-72.7141.3170.300000111.3S350 V354S350-G352 PolarHBondContact O-N 3.46Å; G352-V354 PolarHBondContact O-N 3.05Å
353V44Very low48.2Very low148 Ų148141.6 Ų141.690%0.89781%0.805SS**  trans-65.6121.4167.2-73.80000109.3
354V47.3Very low48.3Very low126 Ų126142.9 Ų142.976%0.76482%0.82SS**  trans-93.3111.2167.9163.20000107G352 L356G352-V354 PolarHBondContact O-N 3.05Å; V354-L356 PolarHBondContact O-N 3.36Å
355S51.4Low48.7Very low114 Ų114141 Ų14180%0.79782%0.819SS**  trans-64.2121.2159.4-550000107.5
356L48.5Very low49.4Very low158 Ų158143.9 Ų143.983%0.82783%0.825SS**  trans-99.2112.3174.2-152.9140.3000106.7V354V354-L356 PolarHBondContact O-N 3.36Å
357D54.6Low49.7Very low137 Ų137146.3 Ų146.373%0.73383%0.831SS**  trans-57.4136.9174.9-115-122.5000110.3
358E49.9Very low49.6Very low194 Ų194144.9 Ų144.991%0.90783%0.827SS**  trans-83106.8174.3-66.9179.3113.400109.1
359D50.7Low49.5Very low151 Ų151146.1 Ų146.181%0.80783%0.831SS**  trans-99.5111.4165.2-91.6-62.5000109.1
360E51.8Low49.8Very low178 Ų178149.2 Ų149.283%0.83283%0.832SS**  trans-68.5144167.5-77.3-148.212700111.5
361P57Low49.9Very low117 Ų117151.8 Ų151.876%0.7684%0.835SS**  trans-106.8116.4148.531.2-25.1000111.1E363P361-E363 PolarHBondContact O-N 3.35Å
362E50.5Low49.7Very low167 Ų167154.2 Ų154.278%0.7883%0.834SS**  trans-53.9125.5159.6-63.7-177.5154.100110.1
363E53.8Low50.2Low202 Ų202162.1 Ų162.194%0.94485%0.852SS**  trans-106.5127.2157.2-83.8-167.3156.200109P361P361-E363 PolarHBondContact O-N 3.35Å
364Q43Very low50.8Low253 Ų253163.4 Ų163.4100%1.18285%0.848SS**  trans-120.60178.3-149.6171.7102.100108.7

Retrieved 364 of 364 residues in 387.3 ms (Link to these results)