H9G257_MACMU Loading...

BAG family molecular chaperone regulator 3

AlphaFold DB , UniProt , Accession H9G257, Species MACMU (Macaca mulatta, Rhesus macaque), Gene BAG3, Length 575 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
1M43.9Very low40.8Very low241 Ų241145 Ų145100%1.18784%0.837SS**  0121.30-65.9164.876.200106.2
2S34.9Very low41Very low125 Ų125143.3 Ų143.387%0.87483%0.83SS**  trans-139.1120.1-174.6-51.40000108.2
3A39Very low40.6Very low105 Ų105139.9 Ų139.987%0.86883%0.829SS**  trans-82.9130-177.900000110.4
4A40.9Very low41Very low98 Ų98137.2 Ų137.281%0.8182%0.821SS**  trans-76.8137.4172.100000110.3H6A4-H6 PolarHBondContact O-N 2.66Å
5T40.5Very low40.9Very low137 Ų137132.9 Ų132.984%0.8482%0.817SS**  trans-70.6110.6175.646.40000110.6S7T5-S7 PolarHBondContact O-N 2.76Å
6H40.2Very low41.4Very low171 Ų171133.1 Ų133.179%0.79281%0.811SS**  trans-88.398.4176.2-179.7-81.2000110.8A4A4-H6 PolarHBondContact O-N 2.66Å
7S39Very low42Very low99 Ų99127 Ų12769%0.69278%0.781SS**  trans-62.6123.8172.8-58.10000110.7T5 M9T5-S7 PolarHBondContact O-N 2.76Å; S7-M9 PolarHBondContact O-N 3.27Å
8P41.6Very low42.8Very low89 Ų89128 Ų12858%0.57878%0.781SS**  trans-69.4117.2173.228.4-32.7000109.4M10P8-M10 HydrophobicContact CB-CE 4.31Å; P8-M10 HydrophobicContact CB-SD 4.47Å; P8-M10 HydrophobicContact CG-CE 3.98Å; P8-M10 PolarHBondContact O-N 2.93Å
9M43.9Very low43.6Very low188 Ų188132.5 Ų132.593%0.92678%0.782SS**  trans-72.593.7173.6-166.8171.3-16200108.6S7 Q11S7-M9 PolarHBondContact O-N 3.27Å; M9-Q11 PolarHBondContact O-N 3.37Å
10M46.9Very low45Very low154 Ų154131.5 Ų131.576%0.75977%0.773SS**  trans-63.7103.2-177.8-66-58.4-169.800110P8 V12P8-M10 HydrophobicContact CB-CE 4.31Å; P8-M10 HydrophobicContact CB-SD 4.47Å; P8-M10 HydrophobicContact CG-CE 3.98Å; P8-M10 PolarHBondContact O-N 2.93Å; M10-V12 PolarHBondContact O-N 3.34Å
11Q38.5Very low46.6Very low188 Ų188130.8 Ų130.888%0.87977%0.772SS**  trans-66.9101.5-175.1-174.6174.310.800109.8M9 A13M9-Q11 PolarHBondContact O-N 3.37Å; Q11-A13 PolarHBondContact O-N 2.79Å
12V42.9Very low48.5Very low124 Ų124121.3 Ų121.375%0.75273%0.726SS**  trans-61.1109.2177.7-72.90000110.2M10 S14M10-V12 PolarHBondContact O-N 3.34Å; V12-S14 PolarHBondContact O-N 2.6Å
13A35.2Very low50.9Low100 Ų100117.5 Ų117.583%0.82670%0.698SS**  trans-72.295.3172.400000108.3Q11 G15Q11-A13 PolarHBondContact O-N 2.79Å; A13-G15 VanDerWaalsContact C-N 3.25Å; A13-G15 PolarHBondContact O-N 3.09Å
14S46.6Very low53.1Low102 Ų102118.1 Ų118.171%0.71369%0.693SS**  trans-66.479.6-179.4-57.30000112V12 N16V12-S14 PolarHBondContact O-N 2.6Å; S14-N16 PolarHBondContact O-N 3.09Å
15G40.3Very low55.3Low73 Ų73115 Ų11575%0.75367%0.671SS**  trans-73.955.7176.500000113.6A13 G17A13-G15 VanDerWaalsContact C-N 3.25Å; A13-G15 PolarHBondContact O-N 3.09Å; G15-G17 PolarHBondContact O-N 3.44Å
16N47.7Very low57.8Low136 Ų136111.5 Ų111.573%0.72764%0.642SS**SBendtrans47.41163.9-73.6-27.7000120.9S14S14-N16 PolarHBondContact O-N 3.09Å
17G52.8Low60.3Low29 Ų29106.8 Ų106.830%0.29962%0.621SS.*  trans-83.5-29.6178.600000114.9G15 R19 R53G15-G17 PolarHBondContact O-N 3.44Å; G17-R19 PolarHBondContact O-N 3.31Å; G17-R53 PolarHBondContact O-NH1 3.48Å; G17-R53 PolarHBondContact O-NH2 3.06Å
18D55.5Low62.8Low145 Ų145104.4 Ų104.478%0.77560%0.6SS**THydrogen-bonded Turntrans-70.87.4-177.6-85.2-65.5000115.4
19R58.1Low65.2Low214 Ų214104.1 Ų104.181%0.80859%0.589SS**THydrogen-bonded Turntrans-103.9-23.1-173.7-52.9-153.375.7-149.3-0.2114.4G17G17-R19 PolarHBondContact O-N 3.31Å
20D71.9Confident67.5Low112 Ų112100.8 Ų100.860%0.59957%0.574SS**SBendtrans-93.5127.8173.2-68.9-52.9000109.8L22 R53D20-L22 PolarHBondContact O-N 3.18Å; D20-R53 PolarHBondContact O-NH1 3.44Å
21P77.9Confident69.6Low116 Ų11694.8 Ų94.875%0.75355%0.545SS*.PPolyproline II helixtrans-61.9138.1-178.526.4-34.1000110.8
22L84.1Confident71.9Confident42 Ų4292.1 Ų92.122%0.2254%0.544CS..PPolyproline II helixtrans-58.4151.7169.6-68.6165.7000110.6D20 W26 I28 F39 P52D20-L22 PolarHBondContact O-N 3.18Å; L22-W26 HydrophobicContact CB-CB 3.97Å; L22-W26 WeakPolarHBondContact CD1-O 3.23Å; L22-I28 HydrophobicContact CD1-CB 4.3Å; L22-I28 HydrophobicContact CD1-CD1 3.92Å; L22-I28 HydrophobicContact CD1-CG1 3.75Å; L22-I28 HydrophobicContact CD2-CD1 3.96Å; L22-I28 HydrophobicContact CD2-CG1 4.03Å; L22-I28 HydrophobicContact CG-CD1 4.19Å; L22-I28 HydrophobicContact CG-CG1 4.39Å; L22-F39 HydrophobicContact CD2-CD1 3.97Å; L22-F39 HydrophobicContact CD2-CE1 4.17Å; L22-P52 HydrophobicContact CD2-CG 4.12Å
23P85.4Confident73.7Confident46 Ų4694.7 Ų94.730%0.29955%0.548SS..PPolyproline II helixtrans-57.9151.9173.5-22.734.4000111.6G25 W26 P52P23-G25 PolarHBondContact O-N 3.34Å; P23-W26 HydrophobicContact CB-CG 4.42Å; P23-W26 WeakPolarHBondContact O-CB 3.42Å; P23-W26 PolarHBondContact O-N 3.29Å; P23-P52 HydrophobicContact CG-CB 4.14Å; P23-P52 HydrophobicContact CG-CG 4.28Å
24P84.4Confident76.4Confident117 Ų11793.5 Ų93.576%0.7653%0.531SS*.THydrogen-bonded Turntrans-52.7127.7-177.2-28.736.1000113N43P24-N43 PolarHBondContact O-ND2 3.39Å
25G87.7Confident78.5Confident33 Ų3391 Ų9134%0.3452%0.521SS..THydrogen-bonded Turntrans87.7-1.8-177.700000115.5P23 H42P23-G25 PolarHBondContact O-N 3.34Å; G25-H42 VanDerWaalsContact O-CB 3.25Å; G25-H42 WeakPolarHBondContact O-CB 3.46Å; G25-H42 PolarHBondContact O-N 2.81Å; G25-H42 PolarHBondContact O-ND1 3.05Å
26W93.1Very high80.9Confident64 Ų6496.1 Ų96.124%0.24252%0.518CS..EExtended strand (participates in β ladder)trans-93.8138.8175.3-70.872.8000112.7L22 P23 F39 V40 D41 T48 P52L22-W26 HydrophobicContact CB-CB 3.97Å; L22-W26 WeakPolarHBondContact CD1-O 3.23Å; P23-W26 HydrophobicContact CB-CG 4.42Å; P23-W26 WeakPolarHBondContact O-CB 3.42Å; P23-W26 PolarHBondContact O-N 3.29Å; W26-F39 HydrophobicContact CE3-CB 3.9Å; W26-F39 HydrophobicContact CZ3-CB 3.9Å; W26-V40 CarbonylContact C-O 3.55Å; W26-V40 VanDerWaalsContact CA-O 3.27Å; W26-V40 WeakPolarHBondContact CA-O 3.47Å; W26-D41 HydrophobicContact CD2-CB 3.84Å; W26-D41 HydrophobicContact CE3-CB 4.05Å; W26-D41 HydrophobicContact CG-CB 4.48Å; W26-D41 HydrophobicContact CH2-CB 4Å; W26-D41 HydrophobicContact CZ2-CB 3.74Å; W26-D41 HydrophobicContact CZ3-CB 4.14Å; W26-T48 HydrophobicContact CH2-CG2 3.93Å; W26-T48 HydrophobicContact CZ3-CG2 3.57Å; W26-P52 HydrophobicContact CD2-CB 3.83Å; W26-P52 HydrophobicContact CD2-CG 3.69Å; W26-P52 HydrophobicContact CE3-CB 3.81Å; W26-P52 HydrophobicContact CE3-CG 3.48Å; W26-P52 VanDerWaalsContact CE3-CG 3.48Å; W26-P52 HydrophobicContact CG-CG 4.2Å; W26-P52 HydrophobicContact CH2-CB 3.82Å; W26-P52 HydrophobicContact CH2-CG 4.37Å; W26-P52 HydrophobicContact CZ2-CB 3.87Å; W26-P52 HydrophobicContact CZ3-CB 3.79Å; W26-P52 HydrophobicContact CZ3-CG 3.83Å
27E92.1Very high83Confident72 Ų7292.8 Ų92.834%0.33650%0.503SS..EExtended strand (participates in β ladder)trans-125.4136176.1-168.7-171.414100110.7K29 F39 V40 H42E27-K29 HydrophobicContact CG-CG 4.24Å; E27-K29 WeakPolarHBondContact OE1-CG 3.18Å; E27-K29 IonicContact OE1-NZ 2.89Å; E27-K29 PolarHBondContact OE1-NZ 3.03Å; E27-K29 IonicContact OE2-NZ 2.69Å; E27-K29 PolarHBondContact OE2-NZ 2.93Å; E27-F39 CarbonylContact O-C 3.54Å; E27-F39 WeakPolarHBondContact O-CA 3.26Å; E27-V40 PolarHBondContact N-O 3Å; E27-V40 PolarHBondContact O-N 3Å; E27-H42 IonicContact OE2-CE1 3.29Å; E27-H42 PolarHBondContact OE2-CE1 3.02Å; E27-H42 VanDerWaalsContact OE2-CE1 3.27Å; E27-H42 IonicContact OE2-NE2 3.71Å
28I92.5Very high84.8Confident48 Ų4893.3 Ų93.325%0.24650%0.498CS..EExtended strand (participates in β ladder)trans-86129.1164.5-72.6155.7000108.5L22 P37 F39L22-I28 HydrophobicContact CD1-CB 4.3Å; L22-I28 HydrophobicContact CD1-CD1 3.92Å; L22-I28 HydrophobicContact CD1-CG1 3.75Å; L22-I28 HydrophobicContact CD2-CD1 3.96Å; L22-I28 HydrophobicContact CD2-CG1 4.03Å; L22-I28 HydrophobicContact CG-CD1 4.19Å; L22-I28 HydrophobicContact CG-CG1 4.39Å; I28-P37 HydrophobicContact CG2-CB 4.19Å; I28-F39 HydrophobicContact CD1-CD1 4.35Å; I28-F39 HydrophobicContact CD1-CE1 3.83Å; I28-F39 HydrophobicContact CG1-CD1 3.52Å; I28-F39 HydrophobicContact CG1-CE1 3.42Å; I28-F39 VanDerWaalsContact CG1-CE1 3.42Å; I28-F39 HydrophobicContact CG1-CZ 4.34Å
29K91.6Very high86.7Confident84 Ų8487.1 Ų87.137%0.36546%0.464SS..EExtended strand (participates in β ladder)trans-122.5155.8170.5-58.5-176.197.7760108.8E27 P37 F38 V40E27-K29 HydrophobicContact CG-CG 4.24Å; E27-K29 WeakPolarHBondContact OE1-CG 3.18Å; E27-K29 IonicContact OE1-NZ 2.89Å; E27-K29 PolarHBondContact OE1-NZ 3.03Å; E27-K29 IonicContact OE2-NZ 2.69Å; E27-K29 PolarHBondContact OE2-NZ 2.93Å; K29-P37 CarbonylContact O-C 3.58Å; K29-P37 WeakPolarHBondContact O-CA 2.89Å; K29-F38 HydrophobicContact CB-CD1 4.11Å; K29-F38 HydrophobicContact CB-CD2 4.36Å; K29-F38 HydrophobicContact CB-CE1 3.6Å; K29-F38 HydrophobicContact CB-CE2 3.89Å; K29-F38 HydrophobicContact CB-CG 4.48Å; K29-F38 HydrophobicContact CB-CZ 3.49Å; K29-F38 VanDerWaalsContact CB-CZ 3.49Å; K29-F38 HydrophobicContact CD-CE2 4.09Å; K29-F38 HydrophobicContact CD-CZ 4.03Å; K29-F38 HydrophobicContact CG-CE2 4.44Å; K29-F38 HydrophobicContact CG-CZ 4.33Å; K29-F38 PolarHBondContact N-O 2.89Å; K29-F38 WeakPolarHBondContact O-CD1 3.18Å; K29-F38 PolarHBondContact O-N 2.9Å; K29-V40 HydrophobicContact CD-CG2 3.55Å; K29-V40 HydrophobicContact CG-CG2 4.01Å
30I91.6Very high88.3Confident117 Ų11777.8 Ų77.860%0.643%0.43SS*.EExtended strand (participates in β ladder)trans-107.2129.2171.8-60.8176.3000107.3W36I30-W36 WeakPolarHBondContact CA-O 3.34Å
31D91.1Very high89.3Confident28 Ų2873.2 Ų73.215%0.1541%0.406CS..  trans-69.7122.4174.3164.331.2000109.9Q33 T34 G35 W36 F38 W49D31-Q33 PolarHBondContact O-N 3.1Å; D31-Q33 PolarHBondContact OD1-N 2.97Å; D31-T34 WeakPolarHBondContact OD2-CB 3.49Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.33Å; D31-T34 PolarHBondContact OD2-N 3.15Å; D31-T34 PolarHBondContact OD2-OG1 3.31Å; D31-G35 VanDerWaalsContact O-CA 3.26Å; D31-G35 WeakPolarHBondContact O-CA 3.27Å; D31-G35 PolarHBondContact O-N 2.85Å; D31-W36 PolarHBondContact N-O 3.47Å; D31-F38 HydrophobicContact CB-CD1 4.07Å; D31-F38 HydrophobicContact CB-CE1 4.05Å; D31-W49 HydrophobicContact CB-CH2 4.06Å; D31-W49 HydrophobicContact CB-CZ3 4.48Å
32P86.5Confident89.9Confident132 Ų13272.6 Ų72.686%0.85739%0.393SS*.THydrogen-bonded Turntrans-67.2-17.2179.329.3-37000114.1
33Q82.6Confident90.2Very high178 Ų17876 Ų7683%0.83241%0.411SS*.THydrogen-bonded Turntrans-84.4-45.9179.2-171.4173.831.100112.4D31D31-Q33 PolarHBondContact O-N 3.1Å; D31-Q33 PolarHBondContact OD1-N 2.97Å
34T90.2Very high90.4Very high76 Ų7676.9 Ų76.947%0.46642%0.418SS..THydrogen-bonded Turntrans-100.7-23.4-176.865.70000114.1D31 W36D31-T34 WeakPolarHBondContact OD2-CB 3.49Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.33Å; D31-T34 PolarHBondContact OD2-N 3.15Å; D31-T34 PolarHBondContact OD2-OG1 3.31Å; T34-W36 VanDerWaalsContact C-N 3.32Å; T34-W36 VanDerWaalsContact O-CD1 3.31Å; T34-W36 PolarHBondContact OG1-N 3.12Å
35G90.9Very high90.8Very high50 Ų5082.1 Ų82.152%0.51542%0.423SS..  trans797.7-17300000114.9D31D31-G35 VanDerWaalsContact O-CA 3.26Å; D31-G35 WeakPolarHBondContact O-CA 3.27Å; D31-G35 PolarHBondContact O-N 2.85Å
36W91.1Very high90.7Very high180 Ų18084 Ų8468%0.68243%0.428SS*.  trans-87.4145.9-178.8-70.265.2000111.9I30 D31 T34 W49I30-W36 WeakPolarHBondContact CA-O 3.34Å; D31-W36 PolarHBondContact N-O 3.47Å; T34-W36 VanDerWaalsContact C-N 3.32Å; T34-W36 VanDerWaalsContact O-CD1 3.31Å; T34-W36 PolarHBondContact OG1-N 3.12Å; W36-W49 HydrophobicContact CB-CE3 4.43Å; W36-W49 HydrophobicContact CB-CZ3 3.88Å
37P91.5Very high90.7Very high65 Ų6585.6 Ų85.642%0.42245%0.445SS..EExtended strand (participates in β ladder)trans-71.6136.2170.630.7-33.5000110.7I28 K29I28-P37 HydrophobicContact CG2-CB 4.19Å; K29-P37 CarbonylContact O-C 3.58Å; K29-P37 WeakPolarHBondContact O-CA 2.89Å
38F91.6Very high90.6Very high41 Ų4184.4 Ų84.418%0.1844%0.443CS..EExtended strand (participates in β ladder)trans-129.2154.4168.269.1-84.6000110.3K29 D31 V40 T47 W49K29-F38 HydrophobicContact CB-CD1 4.11Å; K29-F38 HydrophobicContact CB-CD2 4.36Å; K29-F38 HydrophobicContact CB-CE1 3.6Å; K29-F38 HydrophobicContact CB-CE2 3.89Å; K29-F38 HydrophobicContact CB-CG 4.48Å; K29-F38 HydrophobicContact CB-CZ 3.49Å; K29-F38 VanDerWaalsContact CB-CZ 3.49Å; K29-F38 HydrophobicContact CD-CE2 4.09Å; K29-F38 HydrophobicContact CD-CZ 4.03Å; K29-F38 HydrophobicContact CG-CE2 4.44Å; K29-F38 HydrophobicContact CG-CZ 4.33Å; K29-F38 PolarHBondContact N-O 2.89Å; K29-F38 WeakPolarHBondContact O-CD1 3.18Å; K29-F38 PolarHBondContact O-N 2.9Å; D31-F38 HydrophobicContact CB-CD1 4.07Å; D31-F38 HydrophobicContact CB-CE1 4.05Å; F38-V40 HydrophobicContact CD2-CG2 3.8Å; F38-V40 HydrophobicContact CE2-CG2 3.54Å; F38-T47 HydrophobicContact CD2-CG2 4.49Å; F38-T47 HydrophobicContact CE2-CG2 4.38Å; F38-W49 HydrophobicContact CB-CD2 4.2Å; F38-W49 HydrophobicContact CB-CE3 3.7Å; F38-W49 HydrophobicContact CB-CH2 4.3Å; F38-W49 HydrophobicContact CB-CZ3 3.75Å; F38-W49 HydrophobicContact CD1-CZ3 4.4Å; F38-W49 HydrophobicContact CG-CZ3 4.47Å
39F94.2Very high90.6Very high15 Ų1590 Ų907%0.06646%0.461CS..EExtended strand (participates in β ladder)trans-111127.3-172.8-54.6-96.8000109L22 W26 E27 I28 T47 T48 N50 D51 P52L22-F39 HydrophobicContact CD2-CD1 3.97Å; L22-F39 HydrophobicContact CD2-CE1 4.17Å; W26-F39 HydrophobicContact CE3-CB 3.9Å; W26-F39 HydrophobicContact CZ3-CB 3.9Å; E27-F39 CarbonylContact O-C 3.54Å; E27-F39 WeakPolarHBondContact O-CA 3.26Å; I28-F39 HydrophobicContact CD1-CD1 4.35Å; I28-F39 HydrophobicContact CD1-CE1 3.83Å; I28-F39 HydrophobicContact CG1-CD1 3.52Å; I28-F39 HydrophobicContact CG1-CE1 3.42Å; I28-F39 VanDerWaalsContact CG1-CE1 3.42Å; I28-F39 HydrophobicContact CG1-CZ 4.34Å; F39-T47 CarbonylContact O-C 3.6Å; F39-T47 WeakPolarHBondContact O-CA 3.3Å; F39-T48 HydrophobicContact CB-CG2 4.12Å; F39-T48 PolarHBondContact N-O 2.97Å; F39-T48 PolarHBondContact O-N 3.34Å; F39-N50 WeakPolarHBondContact CD2-O 3.24Å; F39-D51 HydrophobicContact CE1-CB 3.79Å; F39-D51 WeakPolarHBondContact CE1-OD2 3.05Å; F39-D51 HydrophobicContact CE2-CB 3.78Å; F39-D51 HydrophobicContact CZ-CB 3.37Å; F39-D51 WeakPolarHBondContact CZ-OD2 3.42Å; F39-P52 VanDerWaalsContact CD1-CD 3.45Å; F39-P52 HydrophobicContact CD1-CG 4.35Å
40V93.2Very high90.5Very high18 Ų1890.1 Ų90.111%0.10947%0.466CS..EExtended strand (participates in β ladder)trans-109.4122.6179.5-171.40000108.7W26 E27 K29 F38 T47W26-V40 CarbonylContact C-O 3.55Å; W26-V40 VanDerWaalsContact CA-O 3.27Å; W26-V40 WeakPolarHBondContact CA-O 3.47Å; E27-V40 PolarHBondContact N-O 3Å; E27-V40 PolarHBondContact O-N 3Å; K29-V40 HydrophobicContact CD-CG2 3.55Å; K29-V40 HydrophobicContact CG-CG2 4.01Å; F38-V40 HydrophobicContact CD2-CG2 3.8Å; F38-V40 HydrophobicContact CE2-CG2 3.54Å; V40-T47 HydrophobicContact CG1-CG2 4.2Å; V40-T47 HydrophobicContact CG2-CG2 4.05Å
41D91.9Very high90.2Very high15 Ų1586 Ų868%0.0844%0.444CS..EExtended strand (participates in β ladder)trans-95.1107.3171.9176.825.3000110.1W26 N43 S44 R45 T46W26-D41 HydrophobicContact CD2-CB 3.84Å; W26-D41 HydrophobicContact CE3-CB 4.05Å; W26-D41 HydrophobicContact CG-CB 4.48Å; W26-D41 HydrophobicContact CH2-CB 4Å; W26-D41 HydrophobicContact CZ2-CB 3.74Å; W26-D41 HydrophobicContact CZ3-CB 4.14Å; D41-N43 PolarHBondContact O-N 3.01Å; D41-N43 VanDerWaalsContact OD1-CB 3.25Å; D41-N43 WeakPolarHBondContact OD1-CB 3.3Å; D41-N43 PolarHBondContact OD1-N 3.33Å; D41-N43 PolarHBondContact OD1-ND2 3.02Å; D41-S44 WeakPolarHBondContact OD2-CB 3.13Å; D41-S44 PolarHBondContact OD2-N 3.34Å; D41-S44 PolarHBondContact OD2-OG 2.94Å; D41-R45 WeakPolarHBondContact O-CA 3.25Å; D41-R45 PolarHBondContact O-N 3.21Å; D41-T46 PolarHBondContact N-O 3.01Å; D41-T46 PolarHBondContact O-N 2.86Å
42H91.3Very high89.6Confident103 Ų10386.6 Ų86.648%0.47745%0.45SS..THydrogen-bonded Turntrans-71.5-13.7176.6-59.5150.1000113.4G25 E27G25-H42 VanDerWaalsContact O-CB 3.25Å; G25-H42 WeakPolarHBondContact O-CB 3.46Å; G25-H42 PolarHBondContact O-N 2.81Å; G25-H42 PolarHBondContact O-ND1 3.05Å; E27-H42 IonicContact OE2-CE1 3.29Å; E27-H42 PolarHBondContact OE2-CE1 3.02Å; E27-H42 VanDerWaalsContact OE2-CE1 3.27Å; E27-H42 IonicContact OE2-NE2 3.71Å
43N88.8Confident89.2Confident115 Ų11583.3 Ų83.362%0.61542%0.42SS*.THydrogen-bonded Turntrans-75.1-48.8176-52.8-78.7000111.2P24 D41P24-N43 PolarHBondContact O-ND2 3.39Å; D41-N43 PolarHBondContact O-N 3.01Å; D41-N43 VanDerWaalsContact OD1-CB 3.25Å; D41-N43 WeakPolarHBondContact OD1-CB 3.3Å; D41-N43 PolarHBondContact OD1-N 3.33Å; D41-N43 PolarHBondContact OD1-ND2 3.02Å
44S91.1Very high88.9Confident63 Ų6378.5 Ų78.544%0.44140%0.403SS..THydrogen-bonded Turntrans-92.2-11.4176.764.10000114.7D41 T46D41-S44 WeakPolarHBondContact OD2-CB 3.13Å; D41-S44 PolarHBondContact OD2-N 3.34Å; D41-S44 PolarHBondContact OD2-OG 2.94Å; S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 WeakPolarHBondContact OG-CG2 3.19Å; S44-T46 PolarHBondContact OG-N 2.91Å; S44-T46 PolarHBondContact OG-OG1 3.49Å
45R92.3Very high87.5Confident227 Ų22779.3 Ų79.386%0.85741%0.41SS*.THydrogen-bonded Turntrans60.233.1-169.8-52.8-179.5-178.7174.90.4113.5D41D41-R45 WeakPolarHBondContact O-CA 3.25Å; D41-R45 PolarHBondContact O-N 3.21Å
46T86.5Confident85.7Confident72 Ų7282 Ų8244%0.44242%0.421SS..EExtended strand (participates in β ladder)trans-104.2159.5178.363.20000112.2D41 S44D41-T46 PolarHBondContact N-O 3.01Å; D41-T46 PolarHBondContact O-N 2.86Å; S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 WeakPolarHBondContact OG-CG2 3.19Å; S44-T46 PolarHBondContact OG-N 2.91Å; S44-T46 PolarHBondContact OG-OG1 3.49Å
47T92.7Very high83.5Confident98 Ų9881.1 Ų81.160%0.60142%0.424SS*.EExtended strand (participates in β ladder)trans-124.1134.5174.756.40000109.7F38 F39 V40F38-T47 HydrophobicContact CD2-CG2 4.49Å; F38-T47 HydrophobicContact CE2-CG2 4.38Å; F39-T47 CarbonylContact O-C 3.6Å; F39-T47 WeakPolarHBondContact O-CA 3.3Å; V40-T47 HydrophobicContact CG1-CG2 4.2Å; V40-T47 HydrophobicContact CG2-CG2 4.05Å
48T89.3Confident81.1Confident48 Ų4880.2 Ų80.229%0.29443%0.427SS..EExtended strand (participates in β ladder)trans-137.8149.9179.6174.60000111.3W26 F39 N50W26-T48 HydrophobicContact CH2-CG2 3.93Å; W26-T48 HydrophobicContact CZ3-CG2 3.57Å; F39-T48 HydrophobicContact CB-CG2 4.12Å; F39-T48 PolarHBondContact N-O 2.97Å; F39-T48 PolarHBondContact O-N 3.34Å; T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 WeakPolarHBondContact CG2-O 3.48Å; T48-N50 PolarHBondContact OG1-N 2.74Å; T48-N50 VanDerWaalsContact OG1-N 3.11Å
49W92.4Very high78.7Confident165 Ų16584.5 Ų84.563%0.62546%0.459SS*.SBendtrans-87.5-5.9174-60.1100.3000112.9D31 W36 F38D31-W49 HydrophobicContact CB-CH2 4.06Å; D31-W49 HydrophobicContact CB-CZ3 4.48Å; W36-W49 HydrophobicContact CB-CE3 4.43Å; W36-W49 HydrophobicContact CB-CZ3 3.88Å; F38-W49 HydrophobicContact CB-CD2 4.2Å; F38-W49 HydrophobicContact CB-CE3 3.7Å; F38-W49 HydrophobicContact CB-CH2 4.3Å; F38-W49 HydrophobicContact CB-CZ3 3.75Å; F38-W49 HydrophobicContact CD1-CZ3 4.4Å; F38-W49 HydrophobicContact CG-CZ3 4.47Å
50N88.9Confident76Confident87 Ų8793.3 Ų93.347%0.46550%0.497SS..SBendtrans-100.5137.1178.3-164.112.9000111F39 T48 V54F39-N50 WeakPolarHBondContact CD2-O 3.24Å; T48-N50 VanDerWaalsContact C-N 3.35Å; T48-N50 WeakPolarHBondContact CG2-O 3.48Å; T48-N50 PolarHBondContact OG1-N 2.74Å; T48-N50 VanDerWaalsContact OG1-N 3.11Å; N50-V54 WeakPolarHBondContact OD1-CG2 3.2Å
51D86.3Confident73.3Confident29 Ų29101.5 Ų101.516%0.15553%0.534CS..  trans-73.8124.9-174.4-169-36.5000110.8F39 R53 V54F39-D51 HydrophobicContact CE1-CB 3.79Å; F39-D51 WeakPolarHBondContact CE1-OD2 3.05Å; F39-D51 HydrophobicContact CE2-CB 3.78Å; F39-D51 HydrophobicContact CZ-CB 3.37Å; F39-D51 WeakPolarHBondContact CZ-OD2 3.42Å; D51-R53 PolarHBondContact O-N 2.69Å; D51-R53 WeakPolarHBondContact OD1-CB 3.46Å; D51-R53 WeakPolarHBondContact OD1-CG 3.25Å; D51-R53 IonicContact OD1-CZ 2.67Å; D51-R53 PolarHBondContact OD1-N 2.97Å; D51-R53 IonicContact OD1-NE 3.23Å; D51-R53 PolarHBondContact OD1-NE 2.92Å; D51-R53 IonicContact OD1-NH2 2.63Å; D51-R53 IonicContact OD2-CZ 2.73Å; D51-R53 IonicContact OD2-NE 2.75Å; D51-R53 PolarHBondContact OD2-NE 2.83Å; D51-R53 IonicContact OD2-NH2 3.47Å; D51-R53 PolarHBondContact OD2-NH2 3.25Å; D51-V54 HydrophobicContact CB-CG1 4.29Å; D51-V54 HydrophobicContact CB-CG2 4.14Å; D51-V54 WeakPolarHBondContact O-CG2 3.4Å; D51-V54 PolarHBondContact O-N 3.48Å; D51-V54 VanDerWaalsContact O-N 3.12Å
52P77.7Confident70.6Confident41 Ų41107 Ų10727%0.26657%0.569SS.*THydrogen-bonded Turntrans-64.2-13.1178.931.7-40.9000113.7L22 P23 W26 F39L22-P52 HydrophobicContact CD2-CG 4.12Å; P23-P52 HydrophobicContact CG-CB 4.14Å; P23-P52 HydrophobicContact CG-CG 4.28Å; W26-P52 HydrophobicContact CD2-CB 3.83Å; W26-P52 HydrophobicContact CD2-CG 3.69Å; W26-P52 HydrophobicContact CE3-CB 3.81Å; W26-P52 HydrophobicContact CE3-CG 3.48Å; W26-P52 VanDerWaalsContact CE3-CG 3.48Å; W26-P52 HydrophobicContact CG-CG 4.2Å; W26-P52 HydrophobicContact CH2-CB 3.82Å; W26-P52 HydrophobicContact CH2-CG 4.37Å; W26-P52 HydrophobicContact CZ2-CB 3.87Å; W26-P52 HydrophobicContact CZ3-CB 3.79Å; W26-P52 HydrophobicContact CZ3-CG 3.83Å; F39-P52 VanDerWaalsContact CD1-CD 3.45Å; F39-P52 HydrophobicContact CD1-CG 4.35Å
53R78.9Confident68.5Low63 Ų63108.4 Ų108.424%0.23859%0.587CS.*THydrogen-bonded Turntrans-88.5-20.3177.8-57.4167.2-67.6-1789.4112.7G17 D20 D51G17-R53 PolarHBondContact O-NH1 3.48Å; G17-R53 PolarHBondContact O-NH2 3.06Å; D20-R53 PolarHBondContact O-NH1 3.44Å; D51-R53 PolarHBondContact O-N 2.69Å; D51-R53 WeakPolarHBondContact OD1-CB 3.46Å; D51-R53 WeakPolarHBondContact OD1-CG 3.25Å; D51-R53 IonicContact OD1-CZ 2.67Å; D51-R53 PolarHBondContact OD1-N 2.97Å; D51-R53 IonicContact OD1-NE 3.23Å; D51-R53 PolarHBondContact OD1-NE 2.92Å; D51-R53 IonicContact OD1-NH2 2.63Å; D51-R53 IonicContact OD2-CZ 2.73Å; D51-R53 IonicContact OD2-NE 2.75Å; D51-R53 PolarHBondContact OD2-NE 2.83Å; D51-R53 IonicContact OD2-NH2 3.47Å; D51-R53 PolarHBondContact OD2-NH2 3.25Å
54V77.1Confident65.9Low77 Ų77107.9 Ų107.947%0.46759%0.592SS.*SBendtrans-86120.1170.4-54.20000108.7N50 D51 S56N50-V54 WeakPolarHBondContact OD1-CG2 3.2Å; D51-V54 HydrophobicContact CB-CG1 4.29Å; D51-V54 HydrophobicContact CB-CG2 4.14Å; D51-V54 WeakPolarHBondContact O-CG2 3.4Å; D51-V54 PolarHBondContact O-N 3.48Å; D51-V54 VanDerWaalsContact O-N 3.12Å; V54-S56 PolarHBondContact O-N 3.27Å
55P59.5Low63.3Low94 Ų94110.2 Ų110.261%0.6161%0.608SS**  trans-62.5132.6169.227.7-32.8000108E57P55-E57 PolarHBondContact O-N 2.61Å
56S53.8Low60.9Low107 Ų107104 Ų10475%0.74861%0.605SS**  trans-63.1106.8168.7-177.40000108.1V54 G58V54-S56 PolarHBondContact O-N 3.27Å; S56-G58 PolarHBondContact O-N 3.49Å
57E44.2Very low58.4Low161 Ų161108.9 Ų108.975%0.75263%0.628SS**  trans-67.671.7-177-77.4-65.9143.500112.1P55P55-E57 PolarHBondContact O-N 2.61Å
58G41.7Very low55.7Low46 Ų46107.2 Ų107.247%0.47463%0.631SS.*PPolyproline II helixtrans-73.8121.9160.800000109.1S56 K60S56-G58 PolarHBondContact O-N 3.49Å; G58-K60 PolarHBondContact O-N 2.93Å; G58-K60 VanDerWaalsContact O-N 3.12Å
59P40.7Very low53.9Low131 Ų131111 Ų11185%0.85166%0.656SS**PPolyproline II helixtrans-56.1117.3-174.4-28.335.7000113.1
60K37.7Very low50.9Low200 Ų200108.9 Ų108.987%0.8767%0.667SS**PPolyproline II helixtrans-91.8122.1171.9-76.7176.91791670110.3G58G58-K60 PolarHBondContact O-N 2.93Å; G58-K60 VanDerWaalsContact O-N 3.12Å
61E37.4Very low48.6Very low190 Ų190115.6 Ų115.689%0.88869%0.686SS**PPolyproline II helixtrans-67.8132.8177.9-59.1-177.2113.600111.6P63E61-P63 WeakPolarHBondContact O-CD 3.44Å
62T34.8Very low46Very low131 Ų131123.5 Ų123.580%0.80472%0.722SS**  trans-95.1113.817353.60000110.5S64T62-S64 PolarHBondContact O-N 3.33Å
63P47.6Very low43.9Very low132 Ų132124.2 Ų124.286%0.85774%0.736SS**  trans-80.8112.7-178.830.8-33.3000111.3E61E61-P63 WeakPolarHBondContact O-CD 3.44Å
64S34.1Very low41.9Very low104 Ų104127.6 Ų127.673%0.72777%0.77SS**  trans-151.2118164-169.20000114.4T62T62-S64 PolarHBondContact O-N 3.33Å
65S37Very low39.6Very low111 Ų111135.4 Ų135.478%0.77679%0.791SS**  trans49.7100.8143-53.40000119.4
66A41.8Very low38.8Very low96 Ų96139.1 Ų139.179%0.79381%0.805SS**  trans-46.6140.1157.100000113.7
67N33Very low38.1Very low175 Ų175139.1 Ų139.194%0.93680%0.802SS**  trans-161145.3143.9-109.2-42.2000112.4
68G35.3Very low37.9Very low64 Ų64137.4 Ų137.466%0.6681%0.805SS**  trans167172.2175.600000110
69P52Low37.8Very low126 Ų126140.3 Ų140.382%0.81882%0.824SS**  cis-113.8-171.5-1.641.5-30.8000111.9
70S29.4Very low37.8Very low121 Ų121143.8 Ų143.885%0.84682%0.821SS**  trans-142.6152.8149.3-167.50000110.9
71R41.4Very low37.8Very low229 Ų229141.2 Ų141.286%0.86481%0.812SS**  trans-119.8121.3-178.6-74.5179.3166.9-152.3-0.1109.7
72E31.6Very low38.1Very low194 Ų194136.5 Ų136.591%0.90781%0.814SS**  trans-164.6141.2157.1-152.463.9-90.600107.7
73G32.5Very low38.4Very low56 Ų56137.8 Ų137.858%0.57781%0.811SS**  cis-158.9163.5-8.200000109.7
74S37.4Very low38.5Very low134 Ų134136 Ų13694%0.93780%0.799SS**  trans-74.7127.4-167.9-59.10000114.6
75R29.5Very low39.2Very low241 Ų241137.3 Ų137.391%0.90980%0.802SS**  trans-148.7119.1159.4-150.3175-146.7-124.32.8112.7
76L41.6Very low40Very low172 Ų172141.6 Ų141.690%0.90180%0.803SS**PPolyproline II helixtrans-86.3131.2174.2-70.9164.9000111
77P40.5Very low41.1Very low107 Ų107142 Ų14270%0.69580%0.798SS**PPolyproline II helixtrans-94.6159.5153.534.7-28.3000111.1
78P39Very low42.8Very low125 Ų125143 Ų14381%0.81280%0.797SS**PPolyproline II helixtrans-79.5160-17332.8-36.5000113.5
79A40.2Very low44.3Very low107 Ų107144.6 Ų144.688%0.88479%0.789SS**PPolyproline II helixtrans-69.4128.417400000111.9
80R39.8Very low44.9Very low205 Ų205148.9 Ų148.977%0.77479%0.789SS**  trans-152.2147.3160.5-160.4164176.1111.528112.2
81E38Very low46.6Very low146 Ų146149.8 Ų149.868%0.68279%0.792SS**  trans-2.1121.9171.4-67.5145.816100118H83E81-H83 PolarHBondContact O-N 2.84Å
82G44.5Very low47.8Very low91 Ų91142.9 Ų142.994%0.93879%0.792SS**  trans-72.4120.3179.800000113.2
83H39.9Very low49.7Very low158 Ų158142.1 Ų142.173%0.73178%0.782SS**  trans-114.7134.6166.4-163.3-70.9000108.5E81 V85E81-H83 PolarHBondContact O-N 2.84Å; H83-V85 PolarHBondContact O-N 3.28Å
84P51Low51.1Low95 Ų95146.3 Ų146.362%0.61779%0.79SS**  trans-64.6121.3172.526.6-32.8000109.2
85V47.3Very low52.2Low131 Ų131144.6 Ų144.679%0.79478%0.776SS**  trans-98.7103173.9179.40000107.7H83H83-V85 PolarHBondContact O-N 3.28Å
86Y55.2Low53.6Low201 Ų201140.3 Ų140.379%0.78877%0.769SS**  trans-70.4136.4167.1-79-88000109.4Q88Y86-Q88 PolarHBondContact O-N 3.49Å
87P64.7Low54.4Low105 Ų105137.4 Ų137.468%0.68276%0.76SS**  trans-65.1121.3175.527.1-33.4000109.4L89P87-L89 PolarHBondContact O-N 2.8Å; P87-L89 VanDerWaalsContact O-N 3.09Å
88Q67.3Low55.1Low196 Ų196138 Ų13892%0.91676%0.761SS**  trans-72.6108.6-175.8-166.9157.39.800110.4Y86Y86-Q88 PolarHBondContact O-N 3.49Å
89L67.8Low55.8Low96 Ų96139.6 Ų139.650%0.50376%0.762SS.*PPolyproline II helixtrans-64.6155.5-178.5-58.4179.1000111.3P87 Y93P87-L89 PolarHBondContact O-N 2.8Å; P87-L89 VanDerWaalsContact O-N 3.09Å; L89-Y93 HydrophobicContact CD1-CD1 4.18Å; L89-Y93 HydrophobicContact CD1-CG 4.41Å
90R63.6Low56.1Low217 Ų217142.2 Ų142.282%0.81976%0.756SS**PPolyproline II helixtrans-61.5146.1176.5-72.6-176.9174.2176-1.6110.7G92 Y93R90-G92 PolarHBondContact O-N 3.39Å; R90-Y93 PolarHBondContact O-N 2.83Å; R90-Y93 VanDerWaalsContact O-N 3.15Å
91P65.7Low56.8Low140 Ų140142.2 Ų142.291%0.90977%0.765SS**THydrogen-bonded Turntrans-50.7128.8173.2-26.935.1000111.4
92G67.4Low57.2Low83 Ų83138.8 Ų138.886%0.85677%0.769SS**THydrogen-bonded Turntrans106.2-14-175.300000115.3R90R90-G92 PolarHBondContact O-N 3.39Å
93Y70.7Confident57Low179 Ų179138.9 Ų138.970%0.70276%0.761SS**PPolyproline II helixtrans-84.8128.3171.8-111.2-95.2000112.2L89 R90L89-Y93 HydrophobicContact CD1-CD1 4.18Å; L89-Y93 HydrophobicContact CD1-CG 4.41Å; R90-Y93 PolarHBondContact O-N 2.83Å; R90-Y93 VanDerWaalsContact O-N 3.15Å
94I63Low56.9Low144 Ų144140.2 Ų140.274%0.73877%0.768SS**PPolyproline II helixtrans-94.6128.4171.8-57.7175.8000108.2I96I94-I96 PolarHBondContact O-N 2.75Å
95P59.2Low56.5Low98 Ų98142.5 Ų142.564%0.63677%0.774SS**PPolyproline II helixtrans-72.7127.6175.629.5-33.3000110.8P97P95-P97 WeakPolarHBondContact O-CD 3.35Å
96I59.8Low56.2Low151 Ų151147.9 Ų147.977%0.77478%0.78SS**PPolyproline II helixtrans-81.4123.5172.2-58.5175.9000108.2I94 V98I94-I96 PolarHBondContact O-N 2.75Å; I96-V98 PolarHBondContact O-N 2.67Å
97P59Low55.6Low110 Ų110147.3 Ų147.371%0.71479%0.785SS**  trans-68.3115.1177.6-19.833.2000111.7P95 L99P95-P97 WeakPolarHBondContact O-CD 3.35Å; P97-L99 PolarHBondContact O-N 3.3Å
98V54Low54.2Low119 Ų119146.7 Ų146.772%0.72179%0.789SS**  trans-84.490.1173.2-176.30000109.2I96 H100I96-V98 PolarHBondContact O-N 2.67Å; V98-H100 PolarHBondContact O-N 3.06Å
99L53.2Low52.6Low159 Ų159146.3 Ų146.383%0.83279%0.786SS**  trans-69.9116.4169.5-70.7164.3000109.4P97 E101P97-L99 PolarHBondContact O-N 3.3Å; L99-E101 PolarHBondContact O-N 2.91Å
100H46.9Very low51.4Low162 Ų162147.2 Ų147.275%0.7580%0.798SS**  trans-81.497.5164.9-86.659.3000108.9V98 G102V98-H100 PolarHBondContact O-N 3.06Å; H100-G102 PolarHBondContact O-N 2.88Å
101E54.2Low49.8Very low205 Ų205146 Ų14696%0.95880%0.799SS**THydrogen-bonded Turntrans-68.494.8172.8-169.3172.2162.400109.3L99L99-E101 PolarHBondContact O-N 2.91Å
102G46Very low48.5Very low74 Ų74147.5 Ų147.576%0.76379%0.794SS**THydrogen-bonded Turntrans159.5-9.9-175.300000116H100 E104H100-G102 PolarHBondContact O-N 2.88Å; G102-E104 PolarHBondContact O-N 3.46Å
103A41.1Very low46.6Very low94 Ų94147.9 Ų147.978%0.77779%0.789SS**  trans-90.296.2174.500000111.5N105A103-N105 PolarHBondContact O-N 2.97Å
104E37.2Very low45.2Very low186 Ų186149 Ų14987%0.86979%0.793SS**  trans-72.9116.7-176.752.4-176.9113.900114.3G102G102-E104 PolarHBondContact O-N 3.46Å
105N44Very low44.2Very low142 Ų142147.6 Ų147.676%0.75979%0.793SS**  trans38.583.9150.6-156.74.2000118.9A103A103-N105 PolarHBondContact O-N 2.97Å
106R40.2Very low43.1Very low244 Ų244151.1 Ų151.192%0.92180%0.801SS**  trans-125.1128.2144.7-82.8-165.1171.7-161.7-2.2111.2A108R106-A108 PolarHBondContact O-N 3.35Å
107Q42.2Very low42.4Very low190 Ų190149.2 Ų149.289%0.88880%0.798SS**  trans-65129.8177.2-63.1166-6000110.7
108A36.7Very low41.4Very low92 Ų92147.7 Ų147.776%0.7680%0.803SS**  trans-137116.1168.900000109.1R106R106-A108 PolarHBondContact O-N 3.35Å
109H32.4Very low40.8Very low187 Ų187150.3 Ų150.387%0.86681%0.81SS**  trans-70.7133.4177-71.9-61.6000111F111H109-F111 PolarHBondContact O-N 2.65Å; H109-F111 VanDerWaalsContact O-N 3.14Å
110P42.8Very low40.1Very low115 Ų115150.6 Ų150.675%0.74781%0.807SS**  trans-70107171.6-16.831.1000110.9H112P110-H112 PolarHBondContact O-N 2.73Å
111F29.2Very low39.7Very low193 Ų193154.3 Ų154.385%0.84681%0.814SS**  trans-89.2102.5176-157.5-84.2000110.1H109 A113H109-F111 PolarHBondContact O-N 2.65Å; H109-F111 VanDerWaalsContact O-N 3.14Å; F111-A113 PolarHBondContact O-N 2.69Å; F111-A113 VanDerWaalsContact O-N 3.11Å
112H39.4Very low38.9Very low171 Ų171154.1 Ų154.179%0.79281%0.81SS**  trans-72.8101.3177.8-84.6-76.5000111.7P110P110-H112 PolarHBondContact O-N 2.73Å
113A28.3Very low38.4Very low90 Ų90161.4 Ų161.474%0.74482%0.815SS**  trans-84.3113.216800000110.4F111F111-A113 PolarHBondContact O-N 2.69Å; F111-A113 VanDerWaalsContact O-N 3.11Å
114Y40.3Very low38Very low204 Ų204162.2 Ų162.280%0.881%0.81SS**  trans-105.6120.4-179.8-145.3-76.1000110.1Q116Y114-Q116 PolarHBondContact O-N 3.31Å
115P41.9Very low37.6Very low114 Ų114161.6 Ų161.674%0.7481%0.807SS**PPolyproline II helixtrans-76.1120.5178.629-32.4000111.3
116Q35.3Very low37Very low172 Ų172159.3 Ų159.380%0.80481%0.808SS**PPolyproline II helixtrans-91130.1173.7-95.5-82.9-26.900110.8Y114Y114-Q116 PolarHBondContact O-N 3.31Å
117P46Very low36.6Very low110 Ų110152 Ų15271%0.71480%0.799SS**PPolyproline II helixtrans-77.8122.5172.131.3-31.9000110.5
118G37.2Very low37Very low79 Ų79148.9 Ų148.981%0.81480%0.796SS**PPolyproline II helixtrans-74.1143.1-176.600000114.2
119M41.3Very low36.8Very low174 Ų174149.5 Ų149.586%0.85780%0.801SS**  trans-129.2129.9172.4-73-176.571.300112.3
120Q39Very low36.8Very low165 Ų165145 Ų14577%0.77180%0.797SS**  trans43.9126.4148.3-59.9-85.116.200119.7
121R39.1Very low37.1Very low240 Ų240145.1 Ų145.191%0.90680%0.797SS**  trans-97.5132.2172.5-48.2171.1-168.3157.52.1109.9
122F36.2Very low37.2Very low201 Ų201144.6 Ų144.688%0.88280%0.798SS**  trans-133.2163.6157.8-82.5-81000110.8
123R36.2Very low36.5Very low227 Ų227146.1 Ų146.186%0.85780%0.796SS**  trans-122.8179.4-165.5-164.6-173.4-176.3-153.71.5109.1
124T33.1Very low36.7Very low111 Ų111147 Ų14768%0.68180%0.797SS**  trans81.2135.2159-54.70000113
125E29.5Very low36.3Very low173 Ų173144.8 Ų144.881%0.80879%0.794SS**  cis-170.5160.4-6.1164.2172.5124.800112.1
126A30.4Very low35.9Very low93 Ų93145 Ų14577%0.76980%0.798SS**  trans54.6157.6157.900000123.7
127A32.4Very low36.3Very low90 Ų90142.8 Ų142.874%0.74480%0.799SS**  trans-105-162.9164.500000108.1
128P51.2Low36Very low125 Ų125145.6 Ų145.681%0.81281%0.807SS**  cis-136.6171.9-4.542.8-26.4000115.7
129A32.1Very low35.9Very low106 Ų106153.9 Ų153.988%0.87681%0.814SS**  trans-168.8155.5149.200000112.9
130A31.9Very low35.3Very low93 Ų93149.1 Ų149.177%0.76981%0.809SS**  trans-148.8-175.1166.800000107
131P48.7Very low34.8Very low117 Ų117150.1 Ų150.176%0.7682%0.815SS**  cis-130.5-175.2-8.942.2-26.9000113
132Q30.9Very low35.3Very low182 Ų182143.6 Ų143.685%0.8581%0.805SS**  trans-176.4116.5130.2-96.6-90.5-150.300113.9
133R26.5Very low35Very low203 Ų203142.1 Ų142.177%0.76680%0.8SS**  trans-62.5139.3176166.9-167.2-169.7159.12.9116.4
134S31.3Very low34.7Very low109 Ų109136.5 Ų136.576%0.76279%0.791SS**  trans-151.3102.7136.855.90000110.3
135Q33Very low34.6Very low156 Ų156137.3 Ų137.373%0.72980%0.796SS**  86.7114.398.1-69.5-80.984.400113.9
136S32.7Very low34.7Very low118 Ų118137.3 Ų137.383%0.82580%0.796SS**  trans-105.1-153.8-176.3-34.30000109.9
137P44.4Very low35.5Very low126 Ų126137.6 Ų137.682%0.81879%0.79SS**  cis-138.6-179.49.543-22.8000117.8
138L38.6Very low35.2Very low169 Ų169139 Ų13989%0.88579%0.785SS**  trans-91.2159.2169.2-75.6162.8000113
139R35.2Very low34.6Very low254 Ų254141 Ų14196%0.95878%0.781SS**  trans-147.2144.8146.9-89.9-166.6175.8-143.72.2108.2
140G28.6Very low34.5Very low73 Ų73144.9 Ų144.975%0.75378%0.781SS**  cis-177.9163.5-6.600000112.1
141M29Very low34.3Very low186 Ų186146.1 Ų146.192%0.91678%0.783SS**  trans-90.1175.3165.6-68.9-75.5-170.900109.9
142P49.8Very low33.4Very low104 Ų104144 Ų14468%0.67578%0.782SS**  -149149.487.238.1-20.3000117.3
143E29.3Very low33.3Very low169 Ų169143.6 Ų143.679%0.7978%0.78SS**  trans65.4159.2137-67.817858.400121
144T30.4Very low33.4Very low110 Ų110140 Ų14068%0.67578%0.781SS**  cis-155168.9-0.7-0.20000112.1
145T30.3Very low33.3Very low127 Ų127139.4 Ų139.478%0.77978%0.782SS**  trans71135.8150.4-62.80000119
146Q32Very low33.1Very low174 Ų174136.3 Ų136.381%0.81378%0.783SS**  cis-158.1172.8-17.8-114.6-147.2-11.500110.7
147P47.1Very low32.9Very low99 Ų99137.4 Ų137.464%0.64379%0.785SS**  trans-85-169.4-179.740.1-38.1000112.7
148D27Very low32.3Very low119 Ų119136.5 Ų136.564%0.63679%0.788SS**  cis-151.8-96.627.2-158.5-128.2000118.2
149K38.7Very low31.9Very low166 Ų166133 Ų13372%0.72278%0.783SS**  trans-149.1173.1-156.9-64.4173.9-163.177.70115.1
150Q30.1Very low31.6Very low188 Ų188125.2 Ų125.288%0.87977%0.774SS**  trans119.7133.7134.7-164.3165.3-6600120.3
151C27.7Very low31.9Very low119 Ų119130.4 Ų130.480%0.80478%0.778SS**  trans-18.2144.6162.2-169.90000120.5
152G29Very low33.3Very low73 Ų73126.8 Ų126.875%0.75377%0.769SS**  trans-159.2148.216200000112.7
153Q29.7Very low33.5Very low173 Ų173127.6 Ų127.681%0.80877%0.774SS**  trans-111.5-167.2176.4-67.1-174.5-8.300111.3
154V27.1Very low33.6Very low129 Ų129123.7 Ų123.778%0.78277%0.771SS**  trans6593.3160.1-68.80000119.8
155A29.1Very low33.8Very low95 Ų95123.5 Ų123.579%0.78577%0.774SS**  54.9137.6104.800000122.6
156A28.6Very low33.8Very low91 Ų91126.9 Ų126.975%0.75278%0.78SS**  trans94.9155.2142.100000120.6
157V29Very low33.8Very low141 Ų141122 Ų12286%0.85578%0.777SS**  trans53.1100164.6-67.80000120
158A31.2Very low33.9Very low108 Ų108123.7 Ų123.789%0.89379%0.788SS**  trans-106.5144.6140.100000108.4
159A30.5Very low34.2Very low94 Ų94125.6 Ų125.678%0.77779%0.793SS**  trans-136.3149.8-171.400000112.8
160A30.5Very low33.9Very low92 Ų92129.8 Ų129.876%0.7680%0.804SS**  trans48.8121.4164.700000118.8
161Q33.6Very low34.2Very low182 Ų182124.5 Ų124.585%0.8579%0.788SS**  65.2159.661.5-71.4-148.9-7.400115
162P59.6Low34.5Very low110 Ų110128.3 Ų128.371%0.71479%0.794SS**  cis-121.1-148.9-5.842.1-25.5000109.7
163P53.6Low34.8Very low120 Ų120130.2 Ų130.278%0.77980%0.796SS**  cis-119.5166.4-20.438.6-24000113.1
164A32Very low36Very low88 Ų88128.1 Ų128.173%0.72780%0.797SS**  cis-162.6-161.2-14.400000105.6
165S32.8Very low36.2Very low106 Ų106126 Ų12674%0.74179%0.793SS**  cis-155177.315.5-64.90000110.9
166H31.7Very low36.4Very low197 Ų197125.7 Ų125.791%0.91279%0.79SS**  trans-112.7167.6169.3-52.8-95.9000109
167G31.8Very low36.8Very low72 Ų72126.8 Ų126.874%0.74279%0.793SS**  cis174-162.6500000107.8
168P49.2Very low37.4Very low135 Ų135127.8 Ų127.888%0.87779%0.793SS**  cis-127.4-172.82.842.8-27.4000114.2
169E33.6Very low37.2Very low159 Ų159128.4 Ų128.474%0.74379%0.79SS**  trans-80.8160.3175.1-69.1-175.266.800115.2S171E169-S171 WeakPolarHBondContact OE1-CB 3.25Å; E169-S171 PolarHBondContact OE1-OG 3.12Å
170R31.7Very low37.4Very low254 Ų254129.4 Ų129.496%0.95879%0.791SS**  -146139.6110.8-155.6175.4-176.3-151.6-1.8111.4
171S35.9Very low37.5Very low77 Ų77130.3 Ų130.354%0.53879%0.792SS.*  trans-107.8161.1-160.4190000114.9E169E169-S171 WeakPolarHBondContact OE1-CB 3.25Å; E169-S171 PolarHBondContact OE1-OG 3.12Å
172Q34.7Very low37.5Very low199 Ų199126.6 Ų126.693%0.9379%0.786SS**  trans-157.8148.7161.6-112.8163.9109.200110.6
173S34.5Very low36.3Very low113 Ų113126.8 Ų126.879%0.7979%0.79SS**  trans-124.7-167.7-161.2-22.60000111.8
174P55.4Low35.2Very low129 Ų129126.2 Ų126.284%0.83879%0.788SS**  cis-108.8-156.8-5.343.4-30.9000111.9
175A31.3Very low35.4Very low83 Ų83127.4 Ų127.469%0.68679%0.792SS**  cis-151.4168.83.700000108.8
176A33.3Very low35.7Very low89 Ų89127 Ų12774%0.73679%0.794SS**  cis80.4135.218.300000116.8
177S37.8Very low35.7Very low114 Ų114123.6 Ų123.680%0.79779%0.793SS**  cis-164.9169.7-10.6-980000112.6
178D41.7Very low35.9Very low163 Ų163128.1 Ų128.187%0.87280%0.799SS**  trans-67.8169.7-174.5-51-95.1000116.8
179C26Very low35.8Very low121 Ų121127.2 Ų127.282%0.81879%0.794SS**  trans-141.1157.717169.40000113
180S35.8Very low35.7Very low115 Ų115124.5 Ų124.580%0.80479%0.792SS**  trans-161.2148.4172.5-82.30000113.3
181S32.8Very low35.9Very low110 Ų110117.9 Ų117.977%0.76978%0.784SS**  trans72104.8156.3-59.80000121.4
182S32.6Very low35.8Very low105 Ų105117.7 Ų117.773%0.73480%0.795SS**  85.695.3121.6-560000122.6
183S33.7Very low35.8Very low113 Ų113120.3 Ų120.379%0.7980%0.796SS**  82.7140.3120.9-56.60000123.2
184S31.7Very low36Very low108 Ų108120.5 Ų120.576%0.75580%0.798SS**  trans97.794.8148.6-57.80000121.4
185S35.1Very low34.9Very low114 Ų114119.6 Ų119.680%0.79780%0.795SS**  58.9118.312963.60000123.5
186A38.9Very low35.4Very low96 Ų96123.6 Ų123.679%0.79380%0.803SS**  trans82.5111.4131.700000121.8
187S31.5Very low35.9Very low126 Ų126123 Ų12388%0.88181%0.807SS**  trans-159.8163.5139.4-83.20000111
188L37Very low36.2Very low167 Ų167123.1 Ų123.187%0.87481%0.807SS**  trans-124.8175.2-172.5-80.7171.7000109.3
189P47.9Very low36.5Very low117 Ų117123.5 Ų123.576%0.7680%0.803SS**  cis-150.917225.344.8-24.1000121.1
190S31.2Very low38.1Very low102 Ų102127 Ų12771%0.71381%0.808SS**  trans78145.2143.8-151.50000123.7
191S34.7Very low39Very low114 Ų114126.4 Ų126.480%0.79780%0.795SS**  trans71110.3154.3-53.30000118.9
192G33.9Very low40.4Very low74 Ų74125.5 Ų125.576%0.76379%0.786SS**  cis116.991.2-1000000115.9
193R34.9Very low41.1Very low253 Ų253133.1 Ų133.196%0.95580%0.799SS**  trans-142148.1156.8-65.9-169.575.3-156.11.7109
194S38.1Very low42.2Very low117 Ų117131.5 Ų131.582%0.81880%0.8SS**  trans-130.9152.7-153.8-46.60000115.2
195S33Very low43.3Very low111 Ų111134.6 Ų134.678%0.77680%0.797SS**  trans-149.495.5153.6-165.60000107.1
196L41.6Very low44.3Very low166 Ų166136.5 Ų136.587%0.86980%0.796SS**  65.6113.890.9-72.8168.2000113.6
197G43.6Very low44.6Very low78 Ų78136.9 Ų136.980%0.80479%0.793SS**  trans128.3-4.8155.800000119.6
198S43.8Very low45.8Very low116 Ų116138 Ų13881%0.81179%0.788SS**  trans-105.4112.7-179.6-169.60000113
199H49.7Very low46.4Very low170 Ų170135.3 Ų135.379%0.78778%0.78SS**  trans-78.4116170.3-77.4-103.3000109.9L201H199-L201 PolarHBondContact O-N 2.98Å
200Q58.8Low46.9Very low195 Ų195135.5 Ų135.591%0.91178%0.779SS**  trans-68.7103.1169-73.3-169.886.800109.8
201L55.6Low47.7Very low102 Ų102137.8 Ų137.853%0.53478%0.781SS.*PPolyproline II helixtrans-69.8151.5174-62.6177.9000111H199 Y205H199-L201 PolarHBondContact O-N 2.98Å; L201-Y205 HydrophobicContact CB-CG 4.4Å; L201-Y205 HydrophobicContact CD1-CG 4.41Å
202P60.3Low48.2Very low91 Ų91140.3 Ų140.359%0.59178%0.78SS**PPolyproline II helixtrans-58.3151175.8-24.535000113G204 Y205P202-G204 PolarHBondContact O-N 3Å; P202-G204 VanDerWaalsContact O-N 3.14Å; P202-Y205 PolarHBondContact O-N 2.97Å
203R48.2Very low49.3Very low265 Ų265145.7 Ų145.7100%179%0.786SS**THydrogen-bonded Turntrans-55.7120.3173.3-94.5-173.1168.8-160.9-4110.3
204G57.7Low50Low79 Ų79141.7 Ų141.781%0.81478%0.778SS**THydrogen-bonded Turntrans130.1-19.4-175.300000113.5P202P202-G204 PolarHBondContact O-N 3Å; P202-G204 VanDerWaalsContact O-N 3.14Å
205Y54.2Low49.9Very low173 Ų173143.7 Ų143.768%0.67878%0.779SS**  trans-91.8141.8173.8-70.8-95.7000111.6L201 P202L201-Y205 HydrophobicContact CB-CG 4.4Å; L201-Y205 HydrophobicContact CD1-CG 4.41Å; P202-Y205 PolarHBondContact O-N 2.97Å
206I55.9Low50.1Low155 Ų155144.4 Ų144.480%0.79578%0.779SS**  trans-105.5127.6172.5-61.3174.3000107.9I208I206-I208 PolarHBondContact O-N 3.33Å
207S45.9Very low49.9Very low103 Ų103142.7 Ų142.772%0.7278%0.775SS**  trans-77.5113.4176.6-57.60000110.7
208I55.7Low49.5Very low151 Ų151149.9 Ų149.977%0.77478%0.778SS**  trans-79.6123.9168-56177.4000107.8I206 V210I206-I208 PolarHBondContact O-N 3.33Å; I208-V210 PolarHBondContact O-N 3.49Å
209P50.3Low49.3Very low110 Ų110150.1 Ų150.171%0.71478%0.777SS**  trans-71.8124.617728.8-33.1000110.6I211P209-I211 PolarHBondContact O-N 2.89Å
210V57.7Low48.6Very low120 Ų120146.9 Ų146.973%0.72778%0.78SS**  trans-78.8101.8172.3-176.60000108.8I208 H212I208-V210 PolarHBondContact O-N 3.49Å; V210-H212 PolarHBondContact O-N 3.18Å
211I47.4Very low47.5Very low150 Ų150142.3 Ų142.377%0.76978%0.775SS**  trans-66.2110.516830.9174.1000109.6P209P209-I211 PolarHBondContact O-N 2.89Å
212H46.9Very low46.9Very low167 Ų167146 Ų14677%0.77379%0.79SS**  trans-90.2101.9165.6-93.665.3000108.8V210 Q214V210-H212 PolarHBondContact O-N 3.18Å; H212-Q214 PolarHBondContact O-N 3.37Å
213E56.3Low46.4Very low188 Ų188146.2 Ų146.288%0.87979%0.791SS**  trans-79.433.6-173.762.4-171.689.700115
214Q49.6Very low45.6Very low169 Ų169139.1 Ų139.179%0.7978%0.782SS**  trans-148.7114.7172.9-160.4164.165.400113.7H212H212-Q214 PolarHBondContact O-N 3.37Å
215N35.8Very low44.8Very low159 Ų159144.6 Ų144.685%0.8578%0.784SS**  trans-147.762.8163.3-145.7-2.2000111.1
216V37.3Very low44.2Very low125 Ų125144.8 Ų144.876%0.75879%0.791SS**  trans-83.8112.6169.8179.30000108.2R218V216-R218 PolarHBondContact O-N 3.05Å; V216-R218 VanDerWaalsContact O-N 3.12Å
217T36.8Very low43.4Very low130 Ų130145.8 Ų145.880%0.79879%0.792SS**  trans-59.8112.5-176.7-54.10000112
218R35.2Very low43Very low229 Ų229145.5 Ų145.586%0.86480%0.796SS**  trans-106.2112.8175.7-170.2-176.7-165.3-177.48.1110.9V216V216-R218 PolarHBondContact O-N 3.05Å; V216-R218 VanDerWaalsContact O-N 3.12Å
219P40.1Very low42.3Very low121 Ų121147.1 Ų147.179%0.78680%0.8SS**  trans-69.4138.1166.129.7-32.7000109.7
220A35.7Very low41.8Very low103 Ų103151.5 Ų151.585%0.85181%0.808SS**  trans-105.7130.3-178.300000111.6
221A35.2Very low40.9Very low99 Ų99152.8 Ų152.882%0.81882%0.816SS**  trans-144.4141.7165.300000109.8
222Q41.9Very low40.5Very low179 Ų179153.5 Ų153.584%0.83682%0.816SS**  trans-153.4162.2-177.8-81.4-76.6-5.900107
223P50.1Low40Very low96 Ų96156 Ų15662%0.62382%0.82SS**  cis-123.7176.4-14.239.7-26.2000112.5
224S32.1Very low39.8Very low115 Ų115151.9 Ų151.980%0.80481%0.81SS**  trans-159.3139.8154.1-84.80000112
225F40.7Very low39.1Very low194 Ų194148.3 Ų148.385%0.85181%0.809SS**  trans-92.8117.7179-75.7-105000110.9
226H42.2Very low39.4Very low178 Ų178149.6 Ų149.682%0.82481%0.81SS**  trans-140.5102.4158.4-82-66.1000113.1
227Q38.8Very low39.4Very low175 Ų175152.6 Ų152.682%0.81882%0.816SS**  trans13.8109.4140.1-169.2172.743.800117.4
228A37.7Very low39.5Very low98 Ų98149.4 Ų149.481%0.8181%0.808SS**  trans-66.1132.117100000111.8
229Q39.4Very low39.7Very low184 Ų184147.9 Ų147.986%0.8681%0.811SS**  trans-94.4152.9165.1-69.2-153.9-7.300111.4
230K40.2Very low39.5Very low203 Ų203153 Ų15388%0.88382%0.816SS**  trans-116.284.3-161.4-169.3175.3-177.2178.50110.7H232K230-H232 PolarHBondContact O-N 3.14Å
231T39.5Very low39.5Very low146 Ų146155.2 Ų155.290%0.89681%0.809SS**  trans-70.1113.8176.528.80000110.9
232H38.9Very low39.5Very low165 Ų165156.6 Ų156.676%0.76481%0.808SS**PPolyproline II helixtrans-99.7118.6-177.3-179.1-75.1000110K230K230-H232 PolarHBondContact O-N 3.14Å
233Y37.1Very low39.5Very low219 Ų219155 Ų15586%0.85980%0.8SS**PPolyproline II helixtrans-103.1133.5170.9-117.9-91.8000110
234P50.8Low39.1Very low102 Ų102158.3 Ų158.366%0.66281%0.807SS**PPolyproline II helixtrans-75.4134.4-176.529.9-34.4000111.9
235A36Very low40Very low94 Ų94157.6 Ų157.678%0.77780%0.8SS**PPolyproline II helixtrans-81.3126.6168.500000110.1
236Q41.5Very low40Very low186 Ų186153.9 Ų153.987%0.86979%0.793SS**PPolyproline II helixtrans-77.6131164.8-75.8-75.729.700109.4
237Q37.1Very low40Very low189 Ų189156.1 Ų156.188%0.88380%0.796SS**PPolyproline II helixtrans-90.3134.4167.4-69.1-169.1-43.900109.7
238G39.9Very low40.3Very low62 Ų62155.5 Ų155.564%0.63979%0.792SS**  trans-145.4110.9173.900000109.2Y240G238-Y240 PolarHBondContact O-N 3.18Å
239E38Very low40.3Very low197 Ų197159.5 Ų159.592%0.92179%0.792SS**  trans-78.7108.4-172.6-65.7163.9113.200111
240Y36.3Very low40.5Very low228 Ų228159 Ų15989%0.89479%0.793SS**  trans-92.7100.3171-93.4-88.4000111.2G238G238-Y240 PolarHBondContact O-N 3.18Å
241Q37Very low40Very low150 Ų150156.7 Ų156.770%0.70179%0.785SS**  trans-73.5123.7173.1-177.2175.47000110.6H243Q241-H243 PolarHBondContact O-CD2 3.46Å; Q241-H243 PolarHBondContact O-N 3.01Å; Q241-H243 PolarHBondContact OE1-NE2 3.06Å
242T34.8Very low39.9Very low129 Ų129153 Ų15379%0.79178%0.777SS**  trans-70100.5179-49.40000111.6
243H41.6Very low39.6Very low146 Ų146152.3 Ų152.368%0.67678%0.778SS**PPolyproline II helixtrans-89.5125170-80.7-86.7000111.2Q241Q241-H243 PolarHBondContact O-CD2 3.46Å; Q241-H243 PolarHBondContact O-N 3.01Å; Q241-H243 PolarHBondContact OE1-NE2 3.06Å
244Q40.6Very low39.5Very low164 Ų164149.2 Ų149.277%0.76678%0.777SS**PPolyproline II helixtrans-84.1121.9175.5-74.6-80.19.500110.3V246Q244-V246 PolarHBondContact O-N 3.46Å
245P52.5Low38.7Very low101 Ų101155.2 Ų155.266%0.65679%0.786SS**PPolyproline II helixtrans-75.2121.2173.229.5-32.3000111.2Y247P245-Y247 PolarHBondContact O-N 3.09Å
246V40.9Very low38.8Very low116 Ų116158.8 Ų158.870%0.70379%0.787SS**  trans-78111177.9176.20000110.7Q244 H248Q244-V246 PolarHBondContact O-N 3.46Å; V246-H248 PolarHBondContact O-N 3.37Å; V246-H248 VanDerWaalsContact O-N 3.09Å; V246-H248 PolarHBondContact O-ND1 2.83Å; V246-H248 VanDerWaalsContact O-ND1 3.09Å
247Y40.4Very low39Very low224 Ų224155.2 Ų155.288%0.87878%0.78SS**  trans-62.8108.3172.5-85.1-89000111.6P245P245-Y247 PolarHBondContact O-N 3.09Å
248H46.2Very low38.8Very low162 Ų162157.2 Ų157.275%0.7578%0.779SS**  trans-79122.3166.6-73.463000109.2V246 I250V246-H248 PolarHBondContact O-N 3.37Å; V246-H248 VanDerWaalsContact O-N 3.09Å; V246-H248 PolarHBondContact O-ND1 2.83Å; V246-H248 VanDerWaalsContact O-ND1 3.09Å; H248-I250 PolarHBondContact O-N 2.85Å
249K38.5Very low39Very low183 Ų183159.5 Ų159.580%0.79678%0.783SS**  trans-69.9107.3170.7-88.3175160.3-75.20109.5Q251K249-Q251 PolarHBondContact O-N 3.37Å
250I42.4Very low38.7Very low172 Ų172157.3 Ų157.388%0.88278%0.777SS**  trans-80109.3154.3-59.8178.5000106.1H248H248-I250 PolarHBondContact O-N 2.85Å
251Q30.8Very low38.5Very low156 Ų156157.7 Ų157.773%0.72978%0.776SS**PPolyproline II helixtrans-100.6128.7174.8-178.2162.6-28.500107.4K249K249-Q251 PolarHBondContact O-N 3.37Å
252G36.7Very low38.3Very low69 Ų69155.2 Ų155.271%0.71178%0.781SS**PPolyproline II helixtrans-66.8138.5-178.600000111.8
253D33.4Very low38.2Very low150 Ų150153.8 Ų153.880%0.80278%0.783SS**PPolyproline II helixtrans-61.7130.5173.3-75.9-92.6000111.7
254D34Very low37.6Very low154 Ų154152.3 Ų152.382%0.82479%0.789SS**PPolyproline II helixtrans-97.8125.7175.5-174.5-129.3000108.3
255W34.2Very low38.3Very low228 Ų228149 Ų14986%0.86478%0.782SS**  trans-107.9141.3178.5-84.894.8000111.6
256E38.3Very low37.4Very low169 Ų169153.5 Ų153.579%0.7979%0.791SS**  trans87.2150.2171.4-65.7-12866.700118.9
257P44.5Very low37.2Very low110 Ų110158.8 Ų158.871%0.71480%0.799SS**  trans-113.2165.2-140.840.8-34.4000116.7
258R32.8Very low37Very low232 Ų232152.8 Ų152.888%0.87579%0.79SS**  trans-80.9154.2163.5-120.3-175.4-74.2-156.1-6.4110.6
259P44.8Very low37.7Very low110 Ų110150.3 Ų150.371%0.71479%0.788SS**  -135.9162.260.333.7-13.8000114.2
260L32.9Very low37.5Very low151 Ų151147.3 Ų147.379%0.79179%0.785SS**  -171.3-171.878.9-96.4170.9000113.1
261R31.4Very low37.2Very low235 Ų235147.3 Ų147.389%0.88778%0.781SS**  trans-106.2136.8-171.5-67.1174.4-81.6158.6-7114.5
262A33.1Very low37.2Very low98 Ų98145.1 Ų145.181%0.8178%0.783SS**  trans-166.2129.3146.900000107.4
263A31.6Very low37Very low100 Ų100146 Ų14683%0.82678%0.783SS**  cis94.495.44800000114
264S29.4Very low37.1Very low115 Ų115144.6 Ų144.680%0.80479%0.785SS**  trans-31.8-179.3149.8-101.70000117.9
265P55.8Low37.1Very low94 Ų94142 Ų14261%0.6178%0.779SS**  cis-143.3-176.9-2131-8000115.8
266F33.6Very low37.6Very low195 Ų195140.8 Ų140.886%0.85577%0.774SS**  trans65166.6167.9-67.2-76.7000116.6
267R35.6Very low37.3Very low227 Ų227140.4 Ų140.486%0.85777%0.773SS**  cis-146.3159.38-157.8-170.1-74.7-118.4-1.6111.6
268S37.3Very low36.8Very low99 Ų99138.8 Ų138.869%0.69278%0.776SS**  trans-89.7-166.9164.662.30000111.1
269P60.1Low37.2Very low110 Ų110133.4 Ų133.471%0.71477%0.774SS**  cis-134.7-163.9-6.740.9-21.3000113.8
270V34.3Very low37.8Very low120 Ų120134.4 Ų134.473%0.72778%0.781SS**  167.9133.8125.7156.50000112.7
271Q37.3Very low37.8Very low171 Ų171131.8 Ų131.880%0.79978%0.781SS**  trans4152151.8-66.6161.2-21.100120.4
272S29.4Very low38.1Very low111 Ų111131.7 Ų131.778%0.77678%0.78SS**  cis-174.6177.45.9-104.30000108.6
273A33.9Very low38.1Very low87 Ų87131.7 Ų131.772%0.71977%0.774SS**  cis179.2-163.3-27.500000108
274S35.1Very low38.1Very low121 Ų121132.4 Ų132.485%0.84677%0.773SS**  trans80.9139.7169.7-165.80000117.8
275S34.1Very low38.4Very low99 Ų99133.5 Ų133.569%0.69278%0.775SS**  cis-168.6167.1-26.4-1680000110.2
276R43.5Very low38Very low202 Ų202134.3 Ų134.376%0.76278%0.781SS**  trans71.4115.4172.7-54.3-155.6108.3155.45.4115.7
277E33.1Very low38Very low162 Ų162133.8 Ų133.876%0.75779%0.786SS**  76.1123.170.2-70.4176.798.600112.6
278G33.5Very low37.8Very low76 Ų76131.5 Ų131.578%0.78478%0.784SS**  cis-172.7-169.60.900000114.6
279S42.3Very low37.6Very low118 Ų118131.1 Ų131.183%0.82578%0.781SS**  trans-123.7172.8177.8-48.50000110.4
280P55.6Low37.1Very low132 Ų132131.6 Ų131.686%0.85779%0.785SS**  -145.3170.5100.537.4-22000115.2
281A33.7Very low37.1Very low96 Ų96131.2 Ų131.279%0.79379%0.788SS**  trans-104.5169.1-16900000115.3
282R38.9Very low37.7Very low233 Ų233129.1 Ų129.188%0.87979%0.789SS**  trans-142112.2154.2-81.6-167.2167.8-167.2-6.2107.1
283S32.4Very low38Very low97 Ų97132.4 Ų132.468%0.67880%0.796SS**  66.3128.678.172.90000113.5
284S31.7Very low38.3Very low116 Ų116137.5 Ų137.581%0.81180%0.796SS**  cis-161.8177-4.4-82.10000109.9
285T35.9Very low38.2Very low137 Ų137138.1 Ų138.184%0.8480%0.795SS**  trans-94.6-159.1-17854.90000113.2
286P46.3Very low38.2Very low112 Ų112139.5 Ų139.573%0.72779%0.79SS**  -121.5-179.5-104.538.7-20.2000114.9
287L33.6Very low37.8Very low183 Ų183135.7 Ų135.796%0.95879%0.789SS**  trans-136.7172.6171.4-78.8178.4000113.7
288H31.8Very low37.7Very low180 Ų180134.8 Ų134.883%0.83380%0.795SS**  trans-84.2166.7-152-116146.5000118.1
289S33.4Very low37.8Very low90 Ų90137 Ų13763%0.62979%0.793SS**  trans-64.5-178.3161.955.70000113.5
290P49.2Very low37.2Very low121 Ų121138.7 Ų138.779%0.78679%0.792SS**  cis-146-161.82244.4-21.7000117.9
291S34.9Very low36.3Very low112 Ų112140.4 Ų140.478%0.78378%0.782SS**  trans-87.9175.7-168.3-44.30000115.2
292P49.8Very low37.1Very low127 Ų127140.4 Ų140.483%0.82577%0.773SS**  trans-97.3178.1-15939.1-37.4000117.4
293I36.3Very low36.8Very low180 Ų180135.9 Ų135.992%0.92376%0.762SS**  trans-123.2166.8-174.6-82.6175.6000112.7
294R38.4Very low36.9Very low193 Ų193139 Ų13973%0.72877%0.766SS**  trans-125.8141.7-161162.2-149.2-81.4-114.90.9114H296R294-H296 PolarHBondContact NH1-NE2 2.86Å
295V33.7Very low37.8Very low134 Ų134138.4 Ų138.481%0.81276%0.76SS**  trans-151145148.1-74.90000108.4
296H34.5Very low37.7Very low129 Ų129139.3 Ų139.360%0.59776%0.756SS**  cis77.9139.635.5-75-74.9000115.7R294R294-H296 PolarHBondContact NH1-NE2 2.86Å
297T34.3Very low37Very low122 Ų122139.6 Ų139.675%0.74876%0.756SS**  cis-179.5152.5-32.117.10000109.5
298V32.1Very low36.9Very low143 Ų143138 Ų13887%0.86774%0.743SS**  trans-178.2160.1163.4126.40000107.7
299V35Very low36.8Very low123 Ų123140.5 Ų140.575%0.74575%0.745SS**  cis-118.5139.513.6178.60000109.5
300D29.6Very low36.6Very low152 Ų152144 Ų14481%0.81375%0.752SS**  56.8165.893.5-134.3-92.6000120.4
301R36.3Very low35.7Very low169 Ų169144 Ų14464%0.63875%0.754SS**  trans-122.5-132.7-139.9-139.7176.449.2924113.5
302P52.1Low35.6Very low95 Ų95143.1 Ų143.162%0.61775%0.754SS**  cis-138.7155.1-5.544.6-25.4000119.1
303Q31.9Very low35.4Very low138 Ų138142.4 Ų142.465%0.64575%0.749SS**  trans63.8150.7164.1-39.1-62.940.300120.6
304Q33.6Very low35Very low164 Ų164140.2 Ų140.277%0.76674%0.744SS**  cis80.1156.614.5-67.2-84.2-21.100116.6
305P52.1Low35.4Very low103 Ų103136.8 Ų136.867%0.66975%0.747SS**  cis-143.2-179.29.644.9-26.5000119.6
306M32.4Very low35.2Very low155 Ų155139 Ų13976%0.76475%0.748SS**  trans68.2172.6154.1-76.6-69.3167.600118.4
307T31.2Very low36Very low118 Ų118137.8 Ų137.872%0.72475%0.752SS**  cis-137.7-13714.7-34.30000114
308H32.7Very low35.9Very low151 Ų151139.7 Ų139.770%0.69975%0.752SS**  trans-157.3171.6-166.154.3-134.3000117
309R29.7Very low35.8Very low231 Ų231139.4 Ų139.487%0.87275%0.746SS**  trans102166.1145.5-153.8162-173.1171.82.8120.4
310E28.5Very low36.1Very low165 Ų165140.3 Ų140.377%0.77174%0.74SS**  trans-139.7143.9-143.9157.1-163.768.800111.9
311S30.1Very low37.1Very low119 Ų119138.2 Ų138.283%0.83273%0.734SS**  trans155.3153.8145.8-72.40000113.1
312A32.8Very low36.9Very low94 Ų94136.4 Ų136.478%0.77773%0.733SS**  trans-116.9178.5170.200000109.7
313P45.8Very low36Very low112 Ų112136.7 Ų136.773%0.72774%0.737SS**  -153.9173.650.844.3-22.7000119.5
314V29.3Very low36.6Very low134 Ų134139.5 Ų139.581%0.81275%0.747SS**  trans41.1134.2135172.50000120.3
315P46.2Very low37.3Very low121 Ų121137.4 Ų137.479%0.78675%0.748SS**  cis-144.4-174.248.433.4-9000119.2
316Q30Very low36.1Very low181 Ų181135.8 Ų135.885%0.84675%0.75SS**  trans-103-178171.2-68.2-167.4-27.200113.1
317P51.8Low36.9Very low104 Ų104134.5 Ų134.568%0.67575%0.754SS**  -149.2162.198.140.5-24.8000118.2
318E30.3Very low37Very low162 Ų162135.8 Ų135.876%0.75776%0.761SS**  trans61151.7148.6-72.4173.891.900121.2
319N30.6Very low37.1Very low137 Ų137131.7 Ų131.773%0.73376%0.759SS**  cis-147.9173.31.1-135.6-42.9000113.7
320K41.3Very low37.9Very low141 Ų141126.3 Ų126.361%0.61375%0.754SS**  trans-91.4-175.1178.3-112.8-163.262.5176.80111.9E322K320-E322 VanDerWaalsContact CE-OE1 3.23Å; K320-E322 WeakPolarHBondContact CE-OE1 3.25Å; K320-E322 WeakPolarHBondContact CE-OE2 3.15Å; K320-E322 IonicContact NZ-OE1 2.66Å; K320-E322 PolarHBondContact NZ-OE1 3.42Å; K320-E322 IonicContact NZ-OE2 2.76Å; K320-E322 PolarHBondContact NZ-OE2 3.29Å
321P51.8Low38Very low108 Ų108126.2 Ų126.270%0.70175%0.754SS**  cis-119-170.83.347.2-34.1000112.5
322E31.9Very low38.5Very low132 Ų132127.7 Ų127.762%0.61775%0.752SS**  cis-148-162.80.2-148.631.299.500106.5K320K320-E322 VanDerWaalsContact CE-OE1 3.23Å; K320-E322 WeakPolarHBondContact CE-OE1 3.25Å; K320-E322 WeakPolarHBondContact CE-OE2 3.15Å; K320-E322 IonicContact NZ-OE1 2.66Å; K320-E322 PolarHBondContact NZ-OE1 3.42Å; K320-E322 IonicContact NZ-OE2 2.76Å; K320-E322 PolarHBondContact NZ-OE2 3.29Å
323S32.8Very low39.1Very low100 Ų100128.9 Ų128.970%0.69975%0.751SS**  cis-148.7-170.710.7-59.80000111.6
324K44.5Very low39Very low197 Ų197129.8 Ų129.886%0.85776%0.757SS**  trans-149.1172.3-178.9-78.2-170.9177.3-178.70112.1
325P47.2Very low39.2Very low121 Ų121126.6 Ų126.679%0.78675%0.751SS**  cis-125.8177.7-134.5-15.6000115.5
326G28.5Very low38.7Very low69 Ų69129.6 Ų129.671%0.71176%0.755SS**  trans-93.9-149.9165.400000112.7
327P47.6Very low39Very low128 Ų128127.5 Ų127.583%0.83175%0.754SS**  cis-132.8168.115.342.2-26.7000116.8
328V33.8Very low38.4Very low145 Ų145127.1 Ų127.188%0.87975%0.751SS**  trans-135140.2156.3166.90000107.7
329G35.9Very low39Very low64 Ų64127.1 Ų127.166%0.6676%0.755SS**  trans-93166.1-179.400000114.1
330P46.5Very low39.2Very low118 Ų118129.1 Ų129.177%0.76676%0.76SS**  trans-105.6179.6-173.342.4-37.1000114.9
331E29.6Very low39Very low164 Ų164128 Ų12877%0.76676%0.764SS**  trans75110.5157.8-70.9-165.28500122.7
332L39.9Very low38.4Very low150 Ų150130.3 Ų130.379%0.78577%0.769SS**  76.3149.5129.8-62.4-179.9000122.1
333P46.7Very low38.5Very low118 Ų118133.7 Ų133.777%0.76678%0.776SS**  trans-110.5156.5-170.741.3-33.1000115.4
334P42.9Very low38.6Very low131 Ų131138.3 Ų138.385%0.85178%0.784SS**  trans-137.6160.4148.438.2-24.8000114.4
335G33.3Very low38Very low67 Ų67137 Ų13769%0.69178%0.781SS**  trans92.9112.1174.600000112.9
336H36.7Very low37.5Very low185 Ų185136.2 Ų136.286%0.85679%0.785SS**  cis66.497.245.9-154.485000112.7
337V36.3Very low37.5Very low136 Ų136140.1 Ų140.182%0.82479%0.789SS**  trans-120114.7179.6-175.30000108.9
338P38.9Very low36.8Very low97 Ų97138.8 Ų138.863%0.6378%0.783SS**  trans-80.9149.3-179.731.8-34.2000112.5Q340P338-Q340 PolarHBondContact O-N 2.79Å
339I43Very low36.7Very low161 Ų161141.4 Ų141.483%0.82678%0.783SS**  trans-68.7121.1175.8-61.3171.2000109.3V341I339-V341 PolarHBondContact O-N 2.73Å
340Q33.9Very low36.9Very low179 Ų179144.1 Ų144.184%0.83679%0.789SS**  trans-78108.2178.6-69.4-16860.900111.4P338 I342P338-Q340 PolarHBondContact O-N 2.79Å; Q340-I342 PolarHBondContact O-N 3.34Å
341V37.8Very low36Very low117 Ų117144.5 Ų144.571%0.70979%0.788SS**  trans-80.3104.7170.3-179.10000108.9I339 R343I339-V341 PolarHBondContact O-N 2.73Å; V341-R343 HydrophobicContact CG1-CG 4.24Å; V341-R343 PolarHBondContact O-N 2.97Å
342I38.5Very low36.2Very low158 Ų158142 Ų14281%0.8179%0.789SS**  trans-72.990.9177.1-55.4177.2000109.5Q340Q340-I342 PolarHBondContact O-N 3.34Å
343R35.3Very low35.8Very low203 Ų203143.7 Ų143.777%0.76679%0.793SS**  trans-84.2131.8160.9-62.4-172.6-178.5-167.51.5108.8V341V341-R343 HydrophobicContact CG1-CG 4.24Å; V341-R343 PolarHBondContact O-N 2.97Å
344K34.9Very low34.9Very low197 Ų197147 Ų14786%0.85780%0.795SS**  trans-124.183173.6-167.8169.8-175.7174.80109.9
345E30.6Very low34.7Very low169 Ų169146 Ų14679%0.7979%0.789SS**  trans-84.5171.2170.2-68.2-175.574.500110.7
346A37.2Very low35.4Very low105 Ų105148.5 Ų148.587%0.86879%0.792SS**  trans-124.3157.5-161.200000114.4
347D29.6Very low35.6Very low150 Ų150145.2 Ų145.280%0.80279%0.787SS**  trans-150.7139.9176.4-175.8-99.9000108
348S31.8Very low35.9Very low100 Ų100144.5 Ų144.570%0.69979%0.786SS**  cis-149.1174.6-15.5-114.50000111.8
349K32Very low36Very low201 Ų201145.5 Ų145.587%0.87480%0.795SS**  trans-84.1174-176.1-80.6171.2-177.6168.30112.8
350P39.1Very low35.4Very low121 Ų121147.1 Ų147.179%0.78680%0.799SS**  cis-128.1-172.417.840-19.2000114.1
351V28.3Very low35.4Very low126 Ų126145.6 Ų145.676%0.76479%0.79SS**  cis-162.9163.134.175.30000115.1
352S32.8Very low35.4Very low111 Ų111146.7 Ų146.778%0.77680%0.797SS**  trans69.6165.4162.6-71.40000120.6
353Q31.9Very low35.1Very low186 Ų186145.3 Ų145.387%0.86979%0.786SS**  trans-144.4151.9-159.5-55175.5000112.9
354K28.4Very low35Very low188 Ų188141.5 Ų141.582%0.81779%0.785SS**  trans39.3135.8135.9-165174-176.9177.90119.3
355P38.1Very low34.9Very low110 Ų110141.4 Ų141.471%0.71479%0.785SS**  cis-136.7178.633.527.3-3000116.8
356P49.3Very low35.1Very low118 Ų118139.9 Ų139.977%0.76679%0.787SS**  trans-93.6136.9169.535.9-32.5000113.8
357P40.2Very low36Very low116 Ų116140 Ų14075%0.75378%0.779SS**  trans-144.3-169.414339.6-22.9000111.6
358P41.5Very low37.1Very low122 Ų122138.9 Ų138.979%0.79278%0.78SS**  -124.6-172.9-65.539.9-25.8000111.8
359S41Very low37Very low117 Ų117138.4 Ų138.482%0.81878%0.782SS**  trans-71.7144.1167.7-50.30000112.4
360E31.8Very low36.9Very low195 Ų195134.7 Ų134.791%0.91178%0.781SS**  trans-91.3152.7174.5-166.6165.5114.200112.6
361K34.4Very low36.8Very low147 Ų147135.5 Ų135.564%0.63978%0.784SS**  trans-118.7147.8-176-67.6167.965.4-159.30112E363K361-E363 VanDerWaalsContact CE-OE2 3.26Å; K361-E363 WeakPolarHBondContact CE-OE2 3.32Å; K361-E363 IonicContact NZ-OE2 2.6Å; K361-E363 PolarHBondContact NZ-OE2 2.99Å
362V36Very low37.3Very low141 Ų141135.4 Ų135.486%0.85579%0.786SS**  trans-140.6101.5144.8179.70000104.6
363E33.3Very low37.2Very low128 Ų128135.6 Ų135.660%0.59879%0.786SS**  cis64120.947.4-165.5132.5123.800111.6K361K361-E363 VanDerWaalsContact CE-OE2 3.26Å; K361-E363 WeakPolarHBondContact CE-OE2 3.32Å; K361-E363 IonicContact NZ-OE2 2.6Å; K361-E363 PolarHBondContact NZ-OE2 2.99Å
364V33.2Very low37.7Very low123 Ų123132.8 Ų132.875%0.74578%0.784SS**  cis-133.815621.5-161.20000107.3
365K31.9Very low38.2Very low195 Ų195128.8 Ų128.885%0.84878%0.78SS**  177.9156.171.1-161.8153.8-177.3173.80110.7
366V35.9Very low38.3Very low137 Ų137129.2 Ų129.283%0.8378%0.782SS**  trans-111.1155.3-159.6-109.80000115.1
367P55.6Low37.8Very low107 Ų107128.8 Ų128.870%0.69578%0.782SS**  trans-112.1172.2-176.543.2-36.1000114.8
368P52.8Low38.1Very low127 Ų127129.3 Ų129.383%0.82579%0.786SS**  trans-78.5-173.6154.235.1-31.6000111.6
369A30.2Very low37.7Very low90 Ų90126.8 Ų126.874%0.74478%0.782SS**  trans-128.9165.7-176.800000113
370S29.5Very low38.3Very low123 Ų123127.2 Ų127.286%0.8678%0.782SS**  171150.5121.2-73.20000114.6
371V36Very low38.3Very low139 Ų139123.5 Ų123.584%0.84278%0.777SS**  trans-94.7167.9163.4-88.80000109.8
372P39.3Very low38.2Very low123 Ų123121 Ų12180%0.79978%0.784SS**  cis-140.1-165.922.142.3-21.2000116.6
373C30.4Very low38.3Very low115 Ų115120.9 Ų120.978%0.77778%0.783SS**  trans-59161.2165.2-51.40000112.3
374P43.7Very low39.2Very low127 Ų127120.2 Ų120.283%0.82579%0.79SS**  cis-147-166.946.542.9-21.5000117
375S37.8Very low39.1Very low105 Ų105119.8 Ų119.873%0.73479%0.792SS**  trans-72.6154.4171.7-164.30000112.2
376P40.4Very low39.2Very low118 Ų118116 Ų11677%0.76679%0.791SS**  -149.4163.896.240.9-25.5000116.3
377S39.7Very low40.2Very low109 Ų109114.7 Ų114.776%0.76279%0.785SS**  trans-74.6153.6156.4-48.60000110.4
378P45.6Very low39.1Very low128 Ų128119.4 Ų119.483%0.83179%0.794SS**  -155.3168.195.440.3-23.3000116.4
379G33Very low38.1Very low69 Ų69120.4 Ų120.471%0.71179%0.793SS**  trans108161.8141.500000117.9
380P54.8Low38.3Very low126 Ų126123.1 Ų123.182%0.81880%0.8SS**  trans-139.6177.9-135.441.3-23.1000117.1
381S31.8Very low38.5Very low117 Ų117121.6 Ų121.682%0.81880%0.795SS**  trans76.5117.9150.6-160.30000119.1
382A30.6Very low38.5Very low95 Ų95118.4 Ų118.479%0.78578%0.783SS**  -173.3113.2123.900000112.1
383V39.7Very low38.1Very low138 Ų138121.2 Ų121.284%0.83679%0.785SS**  trans-101171.5148.8-68.40000107.4
384P52.2Low38.1Very low113 Ų113122.4 Ų122.473%0.73478%0.78SS**  cis-133.1-174.93.742.8-26.7000114.2
385S29.6Very low37.6Very low114 Ų114126.3 Ų126.380%0.79778%0.778SS**  171.4133.1118.9-74.70000114
386S34.7Very low37.4Very low116 Ų116125.8 Ų125.881%0.81178%0.78SS**  trans-105.1-163.9160.4-38.50000108.1
387P56Low37.3Very low109 Ų109124.5 Ų124.571%0.70878%0.779SS**  cis-132.6178.1-22.340.5-25.9000113.3
388K32.8Very low37.6Very low206 Ų206125.3 Ų125.390%0.89678%0.782SS**  trans-163.8155.1130.5-120.9172.5-178.5175.20114.1
389N32.8Very low36.9Very low148 Ų148124.4 Ų124.479%0.79178%0.778SS**  trans-114.3157.8-175.9-38.3-72.2000111.5
390V34.1Very low36.9Very low147 Ų147127.9 Ų127.989%0.89179%0.786SS**  trans-141.8138.8149.8177.30000108.4
391A32.8Very low36Very low92 Ų92126.3 Ų126.376%0.7678%0.784SS**  trans-118.3173.3167.400000107.9
392A36.2Very low36.4Very low71 Ų71126.9 Ų126.959%0.58779%0.785SS**  cis-150.2-159.313.900000109.3
393E31.6Very low36.8Very low182 Ų182129.1 Ų129.185%0.8579%0.788SS**  cis-146.5-159.2-1.7-143.310357.700106.1
394E30.5Very low36.5Very low141 Ų141131.7 Ų131.766%0.65979%0.791SS**  cis-142162.74.4-147.5-147.5155.900110.8
395R33.6Very low35.7Very low208 Ų208130.6 Ų130.679%0.78579%0.792SS**  trans8.7138.5141.8-170.3-178.1-173.8-174.13.9119.7
396A33Very low36.4Very low95 Ų95131.5 Ų131.579%0.78579%0.793SS**  cis-164.3159.4-15.200000109.7
397A37.8Very low36.8Very low90 Ų90131.3 Ų131.374%0.74479%0.789SS**  trans-91175.1-178.900000113.4
398P45.7Very low36.2Very low126 Ų126132.1 Ų132.182%0.81879%0.794SS**  -141.5132.385.336.7-21.4000116.9
399S31.8Very low36.4Very low109 Ų109131.2 Ų131.276%0.76279%0.79SS**  trans28.5111.7138.3179.50000120.9
400T32.3Very low37Very low143 Ų143130.6 Ų130.688%0.87779%0.794SS**  trans-126167.2136.944.60000110.3
401A36.7Very low37Very low92 Ų92126.3 Ų126.376%0.7678%0.779SS**PPolyproline II helixtrans-74.9164.1-157.600000115.9
402P40.3Very low37.7Very low129 Ų129131.3 Ų131.384%0.83879%0.787SS**PPolyproline II helixtrans-68.5152.9-177.9-17.631.9000114.2
403V38.9Very low38Very low143 Ų143132.5 Ų132.587%0.86780%0.797SS**PPolyproline II helixtrans-74.1131.3167.4179.10000109.4
404E33.9Very low39Very low192 Ų192132 Ų13290%0.89779%0.794SS**PPolyproline II helixtrans-70.8147.5176.2-166.5162.3104.400111.5
405A35.8Very low40.5Very low90 Ų90128.7 Ų128.774%0.74479%0.791SS**PPolyproline II helixtrans-77.6132.2-155.800000115.2P407A405-P407 WeakPolarHBondContact O-CD 3.31Å
406T43.2Very low42.2Very low133 Ų133124.1 Ų124.182%0.81679%0.789SS**PPolyproline II helixtrans-66.3120.2162.6-54.20000110.8
407P43.5Very low44.4Very low112 Ų112125 Ų12573%0.72779%0.786SS**PPolyproline II helixtrans-81.4140.1169.432.8-32.7000111A405A405-P407 WeakPolarHBondContact O-CD 3.31Å
408P43.2Very low46.6Very low125 Ų125125.8 Ų125.881%0.81277%0.773SS**PPolyproline II helixtrans-83.5140.1-17731.9-34.7000113.7
409K37.6Very low48.7Very low188 Ų188120.8 Ų120.882%0.81774%0.739SS**PPolyproline II helixtrans-85.1151.9142.7-105.5-171.8173-176.40107.6
410P43.9Very low51.6Low134 Ų134119.3 Ų119.387%0.8773%0.726SS**  cis-122.8129.332.336-21.5000114.9
411G35.6Very low54.5Low57 Ų57112.6 Ų112.659%0.58869%0.685SS**  trans-133.5124.5157.800000107.9A413G411-A413 VanDerWaalsContact C-N 3.29Å; G411-A413 PolarHBondContact O-N 3.24Å
412E46.8Very low57.2Low198 Ų198109.5 Ų109.593%0.92566%0.657SS**  trans-80.383.3175.4-166.9167.6159.300108.3E414E412-E414 VanDerWaalsContact C-N 3.33Å; E412-E414 PolarHBondContact O-N 2.87Å
413A43Very low59.8Low95 Ų95107.2 Ų107.279%0.78564%0.637SS**  trans-68.994.917100000108.3G411 A415G411-A413 VanDerWaalsContact C-N 3.29Å; G411-A413 PolarHBondContact O-N 3.24Å; A413-A415 PolarHBondContact O-N 2.87Å; A413-A415 VanDerWaalsContact O-N 3.15Å
414E51.6Low62.6Low171 Ų171106 Ų10680%0.79962%0.62SS**  trans-43.9119.3170.1-172.9-175.7157.200109.1E412E412-E414 VanDerWaalsContact C-N 3.33Å; E412-E414 PolarHBondContact O-N 2.87Å
415A62.7Low65.6Low73 Ų7396.9 Ų96.960%0.60358%0.578SS**  trans-61128.5-178.100000108.5A413A413-A415 PolarHBondContact O-N 2.87Å; A413-A415 VanDerWaalsContact O-N 3.15Å
416P69.3Low68.5Low112 Ų11296.5 Ų96.573%0.72756%0.561SS**  trans-55.4132.7-172.121.7-33.4000109.8K418P416-K418 PolarHBondContact O-N 2.88Å
417P79.4Confident71.1Confident113 Ų11392.6 Ų92.673%0.73454%0.541SS*.  trans-55115.9-161.615.9-30.6000111.6
418K84.3Confident73.6Confident107 Ų10787.9 Ų87.947%0.46551%0.51SS..  trans-54.8139.9-178.8-70.3177.9173.6178.40109.9P416 L423 E426P416-K418 PolarHBondContact O-N 2.88Å; K418-L423 HydrophobicContact CB-CD1 4.21Å; K418-L423 HydrophobicContact CB-CD2 3.81Å; K418-L423 HydrophobicContact CB-CG 3.78Å; K418-L423 HydrophobicContact CD-CD2 3.67Å; K418-L423 HydrophobicContact CD-CG 4.5Å; K418-L423 HydrophobicContact CG-CD2 4.42Å; K418-E426 WeakPolarHBondContact CD-OE2 3.4Å; K418-E426 WeakPolarHBondContact CE-OE2 3.27Å; K418-E426 IonicContact NZ-OE1 3.53Å; K418-E426 PolarHBondContact NZ-OE1 3.44Å; K418-E426 IonicContact NZ-OE2 3.19Å; K418-E426 PolarHBondContact NZ-OE2 2.93Å
419H89.4Confident76.2Confident21 Ų2184.3 Ų84.310%0.09748%0.484CS..  trans-62.1142.4179.7-157.3-126.5000111.1G421 V422 L423 E471 R473 V476H419-G421 PolarHBondContact ND1-N 2.76Å; H419-G421 PolarHBondContact O-N 2.87Å; H419-G421 VanDerWaalsContact O-N 3.15Å; H419-V422 HydrophobicContact CB-CB 4.13Å; H419-V422 HydrophobicContact CB-CG2 3.92Å; H419-V422 WeakPolarHBondContact O-CA 3.41Å; H419-V422 PolarHBondContact O-N 2.83Å; H419-L423 WeakPolarHBondContact O-CG 3.3Å; H419-L423 PolarHBondContact O-N 2.72Å; H419-E471 VanDerWaalsContact CE1-CD 3.49Å; H419-E471 IonicContact CE1-OE1 3.75Å; H419-E471 PolarHBondContact CE1-OE1 3.29Å; H419-E471 IonicContact CE1-OE2 2.71Å; H419-E471 PolarHBondContact CE1-OE2 2.89Å; H419-E471 IonicContact NE2-OE2 3.91Å; H419-R473 PolarHBondContact CD2-NH1 2.54Å; H419-R473 VanDerWaalsContact CG-CZ 3.47Å; H419-V476 HydrophobicContact CB-CG2 4.34Å; H419-V476 WeakPolarHBondContact ND1-CG2 3.4Å
420P91.4Very high79.1Confident78 Ų7882.1 Ų82.151%0.50648%0.477SS..Hα-helixtrans-50-37.1166.718.2-33.3000112.8K424P420-K424 VanDerWaalsContact O-CG 3.3Å; P420-K424 WeakPolarHBondContact O-CG 3.37Å; P420-K424 PolarHBondContact O-N 3Å
421G93.5Very high81.6Confident1 Ų180.6 Ų80.61%0.0146%0.456CS..Hα-helixtrans-64.9-38.9172.800000114.3H419 V425H419-G421 PolarHBondContact ND1-N 2.76Å; H419-G421 PolarHBondContact O-N 2.87Å; H419-G421 VanDerWaalsContact O-N 3.15Å; G421-V425 WeakPolarHBondContact O-CG2 3.23Å; G421-V425 PolarHBondContact O-N 2.89Å
422V95.1Very high84.6Confident27 Ų2777.9 Ų77.916%0.16443%0.428CS..Hα-helixtrans-70.6-42.7175.71740000110.3H419 K424 V425 E426 D475 V476H419-V422 HydrophobicContact CB-CB 4.13Å; H419-V422 HydrophobicContact CB-CG2 3.92Å; H419-V422 WeakPolarHBondContact O-CA 3.41Å; H419-V422 PolarHBondContact O-N 2.83Å; V422-K424 VanDerWaalsContact C-N 3.33Å; V422-K424 PolarHBondContact O-N 2.71Å; V422-V425 CarbonylContact O-C 3.58Å; V422-V425 PolarHBondContact O-N 3.3Å; V422-V425 VanDerWaalsContact O-N 3.11Å; V422-E426 WeakPolarHBondContact O-CB 3.48Å; V422-E426 PolarHBondContact O-N 2.9Å; V422-D475 HydrophobicContact CG2-CB 4.09Å; V422-D475 WeakPolarHBondContact CG2-OD2 3.15Å; V422-V476 HydrophobicContact CG2-CG2 3.87Å
423L94.9Very high87.1Confident81 Ų8173.2 Ų73.242%0.42441%0.407SS..Hα-helixtrans-62-38177.2-69.8169.2000112.2K418 H419 E426 A427K418-L423 HydrophobicContact CB-CD1 4.21Å; K418-L423 HydrophobicContact CB-CD2 3.81Å; K418-L423 HydrophobicContact CB-CG 3.78Å; K418-L423 HydrophobicContact CD-CD2 3.67Å; K418-L423 HydrophobicContact CD-CG 4.5Å; K418-L423 HydrophobicContact CG-CD2 4.42Å; H419-L423 WeakPolarHBondContact O-CG 3.3Å; H419-L423 PolarHBondContact O-N 2.72Å; L423-E426 PolarHBondContact O-N 3.27Å; L423-A427 WeakPolarHBondContact O-CB 3.46Å; L423-A427 PolarHBondContact O-N 3.44Å
424K96.2Very high89.7Confident117 Ų11770.2 Ų70.251%0.50938%0.384SS..Hα-helixtrans-58.3-49.1170.1-77.2172179.6-179.40111.3P420 V422 E426 A427 I428 V468P420-K424 VanDerWaalsContact O-CG 3.3Å; P420-K424 WeakPolarHBondContact O-CG 3.37Å; P420-K424 PolarHBondContact O-N 3Å; V422-K424 VanDerWaalsContact C-N 3.33Å; V422-K424 PolarHBondContact O-N 2.71Å; K424-E426 VanDerWaalsContact C-N 3.32Å; K424-E426 PolarHBondContact O-N 3.47Å; K424-A427 PolarHBondContact O-N 3.43Å; K424-I428 WeakPolarHBondContact O-CB 3.38Å; K424-I428 WeakPolarHBondContact O-CD1 3.46Å; K424-I428 WeakPolarHBondContact O-CG1 3.45Å; K424-I428 PolarHBondContact O-N 3.3Å; K424-V468 HydrophobicContact CB-CG1 4.28Å; K424-V468 HydrophobicContact CB-CG2 4.23Å; K424-V468 HydrophobicContact CD-CG1 4.38Å
425V97.3Very high91.9Very high1 Ų163.1 Ų63.11%0.00635%0.352CS..Hα-helixtrans-64.8-35.2177.8175.80000112G421 V422 I428 L429 L465 V468 A479 R480G421-V425 WeakPolarHBondContact O-CG2 3.23Å; G421-V425 PolarHBondContact O-N 2.89Å; V422-V425 CarbonylContact O-C 3.58Å; V422-V425 PolarHBondContact O-N 3.3Å; V422-V425 VanDerWaalsContact O-N 3.11Å; V425-I428 WeakPolarHBondContact O-CB 3.41Å; V425-I428 PolarHBondContact O-N 2.95Å; V425-L429 HydrophobicContact CG1-CD1 3.95Å; V425-L429 HydrophobicContact CG1-CG 4.32Å; V425-L429 WeakPolarHBondContact O-CB 3.29Å; V425-L429 VanDerWaalsContact O-CG 3.28Å; V425-L429 WeakPolarHBondContact O-CG 3.44Å; V425-L429 PolarHBondContact O-N 3.29Å; V425-L465 HydrophobicContact CG1-CD2 3.85Å; V425-L465 HydrophobicContact CG2-CD2 4.33Å; V425-V468 HydrophobicContact CG2-CB 4.19Å; V425-V468 HydrophobicContact CG2-CG1 4.01Å; V425-V468 HydrophobicContact CG2-CG2 4.04Å; V425-A479 HydrophobicContact CB-CB 4.24Å; V425-A479 HydrophobicContact CG1-CB 3.72Å; V425-R480 HydrophobicContact CG2-CB 4.46Å
426E96.4Very high93.5Very high83 Ų8362.1 Ų62.139%0.38834%0.335SS..Hα-helixtrans-67.5-45.7178-167.5167.5-162.400111.9K418 V422 L423 K424 I428 L429 E430K418-E426 WeakPolarHBondContact CD-OE2 3.4Å; K418-E426 WeakPolarHBondContact CE-OE2 3.27Å; K418-E426 IonicContact NZ-OE1 3.53Å; K418-E426 PolarHBondContact NZ-OE1 3.44Å; K418-E426 IonicContact NZ-OE2 3.19Å; K418-E426 PolarHBondContact NZ-OE2 2.93Å; V422-E426 WeakPolarHBondContact O-CB 3.48Å; V422-E426 PolarHBondContact O-N 2.9Å; L423-E426 PolarHBondContact O-N 3.27Å; K424-E426 VanDerWaalsContact C-N 3.32Å; K424-E426 PolarHBondContact O-N 3.47Å; E426-I428 VanDerWaalsContact C-N 3.28Å; E426-I428 PolarHBondContact O-N 3.36Å; E426-L429 WeakPolarHBondContact O-CB 3.41Å; E426-L429 PolarHBondContact O-N 3.4Å; E426-L429 VanDerWaalsContact O-N 3.14Å; E426-E430 PolarHBondContact O-N 2.97Å
427A97.6Very high94.9Very high50 Ų5061.4 Ų61.441%0.41332%0.322SS..Hα-helixtrans-68.4-24.5174.100000113.5L423 K424L423-A427 WeakPolarHBondContact O-CB 3.46Å; L423-A427 PolarHBondContact O-N 3.44Å; K424-A427 PolarHBondContact O-N 3.43Å
428I97.6Very high95.7Very high14 Ų1457.6 Ų57.67%0.07230%0.3CS..Hα-helixtrans-69.9-49.9166.9-73.4164.5000109.8K424 V425 E426 E430 K431 V432 E461 A464 L465 V468K424-I428 WeakPolarHBondContact O-CB 3.38Å; K424-I428 WeakPolarHBondContact O-CD1 3.46Å; K424-I428 WeakPolarHBondContact O-CG1 3.45Å; K424-I428 PolarHBondContact O-N 3.3Å; V425-I428 WeakPolarHBondContact O-CB 3.41Å; V425-I428 PolarHBondContact O-N 2.95Å; E426-I428 VanDerWaalsContact C-N 3.28Å; E426-I428 PolarHBondContact O-N 3.36Å; I428-E430 PolarHBondContact O-N 3.12Å; I428-K431 WeakPolarHBondContact O-CB 3.36Å; I428-K431 PolarHBondContact O-N 3.22Å; I428-V432 HydrophobicContact CG2-CG2 4.34Å; I428-V432 WeakPolarHBondContact O-CG2 3.19Å; I428-V432 PolarHBondContact O-N 3.48Å; I428-E461 WeakPolarHBondContact CA-OE1 3.48Å; I428-E461 WeakPolarHBondContact CB-OE1 3.3Å; I428-E461 WeakPolarHBondContact CG1-OE1 3.48Å; I428-E461 HydrophobicContact CG2-CG 3.68Å; I428-E461 WeakPolarHBondContact CG2-OE1 3.34Å; I428-A464 HydrophobicContact CD1-CB 4.01Å; I428-A464 HydrophobicContact CG1-CB 4.23Å; I428-L465 HydrophobicContact CB-CD2 4.41Å; I428-L465 HydrophobicContact CD1-CD2 4.42Å; I428-L465 HydrophobicContact CG2-CD1 4.28Å; I428-L465 HydrophobicContact CG2-CD2 3.65Å; I428-L465 HydrophobicContact CG2-CG 3.59Å; I428-V468 HydrophobicContact CD1-CG2 3.69Å
429L97.2Very high96.4Very high50 Ų5052.5 Ų52.526%0.26228%0.278SS..Hα-helixtrans-60.6-29.8-179-80169.6000113.7V425 E426 V432 Q433 K486V425-L429 HydrophobicContact CG1-CD1 3.95Å; V425-L429 HydrophobicContact CG1-CG 4.32Å; V425-L429 WeakPolarHBondContact O-CB 3.29Å; V425-L429 VanDerWaalsContact O-CG 3.28Å; V425-L429 WeakPolarHBondContact O-CG 3.44Å; V425-L429 PolarHBondContact O-N 3.29Å; E426-L429 WeakPolarHBondContact O-CB 3.41Å; E426-L429 PolarHBondContact O-N 3.4Å; E426-L429 VanDerWaalsContact O-N 3.14Å; L429-V432 WeakPolarHBondContact O-CB 3.43Å; L429-V432 PolarHBondContact O-N 2.96Å; L429-Q433 PolarHBondContact O-N 3.45Å; L429-K486 HydrophobicContact CD2-CD 4.22Å
430E97.8Very high96.7Very high141 Ų14155 Ų5566%0.65929%0.292SS*.Hα-helixtrans-60.3-45.8170.6-173177.7-173.100111.7E426 I428 Q433 G434E426-E430 PolarHBondContact O-N 2.97Å; I428-E430 PolarHBondContact O-N 3.12Å; E430-Q433 WeakPolarHBondContact O-CB 3.38Å; E430-Q433 PolarHBondContact O-N 2.94Å; E430-G434 PolarHBondContact O-N 3.02Å; E430-G434 VanDerWaalsContact O-N 3.14Å
431K97.7Very high97Very high102 Ų10257.1 Ų57.144%0.44330%0.299SS..Hα-helixtrans-65-41.1173.7-66.2-173.5-1071240111.9I428 Q433 G434 L435 E461I428-K431 WeakPolarHBondContact O-CB 3.36Å; I428-K431 PolarHBondContact O-N 3.22Å; K431-Q433 PolarHBondContact O-N 2.85Å; K431-G434 PolarHBondContact O-N 3.14Å; K431-G434 VanDerWaalsContact O-N 3.12Å; K431-L435 WeakPolarHBondContact O-CG 3.27Å; K431-L435 PolarHBondContact O-N 3.01Å; K431-E461 VanDerWaalsContact NZ-CD 3.27Å; K431-E461 IonicContact NZ-OE1 3.48Å; K431-E461 PolarHBondContact NZ-OE1 3.39Å; K431-E461 IonicContact NZ-OE2 3.71Å; K431-E461 PolarHBondContact NZ-OE2 3.4Å
432V98.3Very high97.1Very high0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-57.9-36.6173.3177.80000111.3I428 L429 L435 E436 E461 K486 V487 I490I428-V432 HydrophobicContact CG2-CG2 4.34Å; I428-V432 WeakPolarHBondContact O-CG2 3.19Å; I428-V432 PolarHBondContact O-N 3.48Å; L429-V432 WeakPolarHBondContact O-CB 3.43Å; L429-V432 PolarHBondContact O-N 2.96Å; V432-L435 PolarHBondContact O-N 3.35Å; V432-E436 VanDerWaalsContact O-CB 3.31Å; V432-E436 WeakPolarHBondContact O-CB 3.39Å; V432-E436 PolarHBondContact O-N 2.89Å; V432-E461 HydrophobicContact CG2-CB 4.35Å; V432-E461 HydrophobicContact CG2-CG 3.63Å; V432-K486 HydrophobicContact CG1-CD 4Å; V432-K486 HydrophobicContact CG1-CG 4.39Å; V432-V487 HydrophobicContact CB-CG2 4.2Å; V432-V487 HydrophobicContact CG1-CG2 3.61Å; V432-V487 HydrophobicContact CG2-CG2 3.43Å; V432-V487 VanDerWaalsContact CG2-CG2 3.43Å; V432-I490 HydrophobicContact CG1-CD1 3.37Å
433Q98.3Very high97.1Very high101 Ų10164.2 Ų64.247%0.47233%0.33SS..Hα-helixtrans-70-35.1176.3-169.9175.115.400112.8L429 E430 K431 Q437L429-Q433 PolarHBondContact O-N 3.45Å; E430-Q433 WeakPolarHBondContact O-CB 3.38Å; E430-Q433 PolarHBondContact O-N 2.94Å; K431-Q433 PolarHBondContact O-N 2.85Å; Q433-Q437 WeakPolarHBondContact O-CG 3.44Å; Q433-Q437 PolarHBondContact O-N 3.27Å; Q433-Q437 VanDerWaalsContact O-N 3.09Å
434G97.3Very high97Very high31 Ų3161.3 Ų61.332%0.3232%0.319SS..Hα-helixtrans-63.8-41.8169.700000112.5E430 K431 Q437 A438E430-G434 PolarHBondContact O-N 3.02Å; E430-G434 VanDerWaalsContact O-N 3.14Å; K431-G434 PolarHBondContact O-N 3.14Å; K431-G434 VanDerWaalsContact O-N 3.12Å; G434-Q437 PolarHBondContact O-N 2.85Å; G434-A438 PolarHBondContact O-N 3.22Å
435L97.5Very high97Very high22 Ų2259.9 Ų59.912%0.11531%0.313CS..Hα-helixtrans-68.5-38.3176-64.1169.1000112.2K431 V432 Q437 A438 V439 I454 Y457 L458K431-L435 WeakPolarHBondContact O-CG 3.27Å; K431-L435 PolarHBondContact O-N 3.01Å; V432-L435 PolarHBondContact O-N 3.35Å; L435-Q437 VanDerWaalsContact C-N 3.34Å; L435-Q437 PolarHBondContact O-N 3.38Å; L435-A438 CarbonylContact O-C 3.35Å; L435-A438 WeakPolarHBondContact O-CA 3.5Å; L435-A438 WeakPolarHBondContact O-CB 3.42Å; L435-A438 PolarHBondContact O-N 3.26Å; L435-V439 WeakPolarHBondContact O-CG2 3.15Å; L435-V439 PolarHBondContact O-N 3.24Å; L435-I454 HydrophobicContact CD2-CG2 4.44Å; L435-Y457 HydrophobicContact CD2-CD2 4.33Å; L435-Y457 HydrophobicContact CD2-CG 4.26Å; L435-L458 HydrophobicContact CB-CD2 3.73Å; L435-L458 HydrophobicContact CB-CG 4.22Å; L435-L458 HydrophobicContact CD1-CD2 3.88Å; L435-L458 HydrophobicContact CD1-CG 4.1Å; L435-L458 HydrophobicContact CG-CD2 4.43Å
436E97.9Very high96.9Very high53 Ų5362 Ų6225%0.24832%0.322CS..Hα-helixtrans-56.6-45.4171.5-176.1173.4-127.500111.3V432 A438 V439 D440 K486 I490V432-E436 VanDerWaalsContact O-CB 3.31Å; V432-E436 WeakPolarHBondContact O-CB 3.39Å; V432-E436 PolarHBondContact O-N 2.89Å; E436-A438 VanDerWaalsContact C-N 3.33Å; E436-A438 PolarHBondContact O-N 2.88Å; E436-V439 PolarHBondContact O-N 3.18Å; E436-D440 WeakPolarHBondContact O-CB 3.45Å; E436-D440 PolarHBondContact O-N 2.95Å; E436-K486 VanDerWaalsContact CD-CE 3.4Å; E436-K486 WeakPolarHBondContact OE1-CE 3.45Å; E436-K486 IonicContact OE1-NZ 3.06Å; E436-K486 PolarHBondContact OE1-NZ 3.2Å; E436-K486 VanDerWaalsContact OE2-CE 3.23Å; E436-K486 WeakPolarHBondContact OE2-CE 3.47Å; E436-K486 IonicContact OE2-NZ 2.67Å; E436-K486 PolarHBondContact OE2-NZ 3.19Å; E436-I490 HydrophobicContact CB-CD1 3.75Å; E436-I490 HydrophobicContact CB-CG1 4.17Å; E436-I490 HydrophobicContact CG-CD1 4.09Å; E436-I490 HydrophobicContact CG-CG1 4.14Å
437Q98.1Very high96.7Very high97 Ų9762.6 Ų62.645%0.45333%0.332SS..Hα-helixtrans-65.6-34.4173.3-69.2177.415.600112.6Q433 G434 L435 D440 N441Q433-Q437 WeakPolarHBondContact O-CG 3.44Å; Q433-Q437 PolarHBondContact O-N 3.27Å; Q433-Q437 VanDerWaalsContact O-N 3.09Å; G434-Q437 PolarHBondContact O-N 2.85Å; L435-Q437 VanDerWaalsContact C-N 3.34Å; L435-Q437 PolarHBondContact O-N 3.38Å; Q437-D440 PolarHBondContact O-N 2.94Å; Q437-N441 WeakPolarHBondContact O-CB 3.46Å; Q437-N441 PolarHBondContact O-N 3.01Å; Q437-N441 PolarHBondContact O-ND2 2.91Å
438A96.9Very high96.6Very high33 Ų3362.6 Ų62.627%0.27333%0.325SS..Hα-helixtrans-68.2-34.3174.900000112.7G434 L435 E436 N441 F442 I454G434-A438 PolarHBondContact O-N 3.22Å; L435-A438 CarbonylContact O-C 3.35Å; L435-A438 WeakPolarHBondContact O-CA 3.5Å; L435-A438 WeakPolarHBondContact O-CB 3.42Å; L435-A438 PolarHBondContact O-N 3.26Å; E436-A438 VanDerWaalsContact C-N 3.33Å; E436-A438 PolarHBondContact O-N 2.88Å; A438-N441 CarbonylContact O-C 3.54Å; A438-F442 WeakPolarHBondContact O-CB 3.33Å; A438-F442 PolarHBondContact O-N 3.45Å; A438-I454 HydrophobicContact CB-CD1 3.89Å; A438-I454 HydrophobicContact CB-CG1 4.24Å
439V97.8Very high96.6Very high0 Ų070.3 Ų70.30%036%0.358CS..Hα-helixtrans-70-42.7170.9172.40000111.2L435 E436 N441 F442 I454 L458 I490 K493 L494 K497L435-V439 WeakPolarHBondContact O-CG2 3.15Å; L435-V439 PolarHBondContact O-N 3.24Å; E436-V439 PolarHBondContact O-N 3.18Å; V439-N441 PolarHBondContact O-N 3.44Å; V439-F442 WeakPolarHBondContact O-CB 3.38Å; V439-F442 PolarHBondContact O-N 2.67Å; V439-I454 HydrophobicContact CG2-CG2 3.63Å; V439-L458 HydrophobicContact CG2-CD1 4.21Å; V439-I490 HydrophobicContact CB-CG2 4.13Å; V439-I490 HydrophobicContact CG1-CG2 4.48Å; V439-I490 HydrophobicContact CG2-CG2 3.6Å; V439-K493 HydrophobicContact CG1-CB 4.18Å; V439-K493 HydrophobicContact CG1-CD 4.29Å; V439-K493 HydrophobicContact CG1-CG 4.06Å; V439-L494 HydrophobicContact CG1-CB 3.93Å; V439-L494 HydrophobicContact CG2-CB 3.83Å; V439-L494 HydrophobicContact CG2-CD1 4.17Å; V439-L494 HydrophobicContact CG2-CD2 4.31Å; V439-L494 HydrophobicContact CG2-CG 4.3Å; V439-K497 PolarHBondContact O-NZ 3.31Å
440D96.9Very high96.5Very high73 Ų7372.4 Ų72.439%0.3937%0.365SS..Hα-helixtrans-67.1-30.6179.8-78.329.4000111.7E436 Q437 K493 K497E436-D440 WeakPolarHBondContact O-CB 3.45Å; E436-D440 PolarHBondContact O-N 2.95Å; Q437-D440 PolarHBondContact O-N 2.94Å; D440-K493 WeakPolarHBondContact OD1-CE 3.44Å; D440-K493 IonicContact OD1-NZ 3.71Å; D440-K493 PolarHBondContact OD1-NZ 2.93Å; D440-K493 IonicContact OD2-NZ 2.69Å; D440-K493 PolarHBondContact OD2-NZ 3.42Å; D440-K497 VanDerWaalsContact C-NZ 3.31Å; D440-K497 PolarHBondContact O-NZ 3.04Å
441N96Very high96.5Very high122 Ų12266.3 Ų66.365%0.65234%0.336SS*.THydrogen-bonded Turntrans-96.818.2168.5-61.2-78.9000113.4Q437 A438 V439 K450Q437-N441 WeakPolarHBondContact O-CB 3.46Å; Q437-N441 PolarHBondContact O-N 3.01Å; Q437-N441 PolarHBondContact O-ND2 2.91Å; A438-N441 CarbonylContact O-C 3.54Å; V439-N441 PolarHBondContact O-N 3.44Å; N441-K450 PolarHBondContact O-NZ 2.83Å
442F96.9Very high96.4Very high3 Ų365.7 Ų65.71%0.01334%0.337CS..  trans-82.9136.4170.4-176.2-94.1000111.1A438 V439 K450 Y451 I454 L494 K497 A498A438-F442 WeakPolarHBondContact O-CB 3.33Å; A438-F442 PolarHBondContact O-N 3.45Å; V439-F442 WeakPolarHBondContact O-CB 3.38Å; V439-F442 PolarHBondContact O-N 2.67Å; F442-K450 HydrophobicContact CD2-CB 4.42Å; F442-K450 HydrophobicContact CD2-CD 3.83Å; F442-K450 HydrophobicContact CD2-CG 3.84Å; F442-K450 HydrophobicContact CE2-CB 3.99Å; F442-K450 HydrophobicContact CE2-CD 4.09Å; F442-K450 HydrophobicContact CE2-CG 3.92Å; F442-Y451 HydrophobicContact CE1-CD2 4.43Å; F442-Y451 HydrophobicContact CZ-CD2 4.3Å; F442-I454 HydrophobicContact CD2-CD1 4.09Å; F442-L494 HydrophobicContact CB-CD1 4.21Å; F442-L494 HydrophobicContact CD1-CD1 3.86Å; F442-L494 HydrophobicContact CD2-CD1 4.16Å; F442-L494 HydrophobicContact CE1-CD1 4.35Å; F442-L494 HydrophobicContact CG-CD1 3.77Å; F442-K497 HydrophobicContact CD1-CB 4.45Å; F442-K497 VanDerWaalsContact O-CE 3.25Å; F442-K497 WeakPolarHBondContact O-CE 3.19Å; F442-K497 PolarHBondContact O-NZ 3.47Å; F442-A498 HydrophobicContact CE1-CB 3.88Å
443E94.6Very high96.4Very high174 Ų17468.8 Ų68.881%0.81335%0.352SS*.  trans-148.9136.8167.8-175.4170.1-149.100106.2
444G93.4Very high96.3Very high20 Ų2064.2 Ų64.221%0.20633%0.331CS..BIsolated β-bridgetrans144.2-158.7-169.800000112.5D448 I499G444-D448 VanDerWaalsContact CA-OD2 3.3Å; G444-D448 WeakPolarHBondContact CA-OD2 3.26Å; G444-I499 PolarHBondContact O-N 2.63Å
445K95.1Very high96.3Very high88 Ų8865.7 Ų65.738%0.38333%0.33SS..  trans-126.7161.6-175.451.9172.9-174.2160.20110.9T447 D448 I499K445-T447 VanDerWaalsContact CD-OG1 3.27Å; K445-T447 WeakPolarHBondContact CD-OG1 3.47Å; K445-T447 WeakPolarHBondContact CE-OG1 3.47Å; K445-T447 PolarHBondContact NZ-OG1 3.25Å; K445-T447 PolarHBondContact O-N 2.75Å; K445-D448 WeakPolarHBondContact CE-OD1 3.45Å; K445-D448 VanDerWaalsContact CG-CG 3.47Å; K445-D448 WeakPolarHBondContact CG-OD2 3.3Å; K445-D448 PolarHBondContact N-OD2 3.11Å; K445-D448 IonicContact NZ-OD1 3.91Å; K445-D448 WeakPolarHBondContact O-CB 3.46Å; K445-D448 PolarHBondContact O-N 3.42Å; K445-I499 WeakPolarHBondContact CA-O 3.41Å; K445-I499 VanDerWaalsContact CB-O 3.25Å; K445-I499 WeakPolarHBondContact CB-O 3.4Å
446K95Very high96.4Very high45 Ų4570.7 Ų70.720%0.19635%0.352CS..THydrogen-bonded Turntrans-60-17.4-178.5-58.7-176.4-172.1175.10114.7Y451 E495 A498 D500K446-Y451 HydrophobicContact CB-CD1 4.27Å; K446-Y451 HydrophobicContact CB-CE1 4.11Å; K446-Y451 HydrophobicContact CB-CE2 4.38Å; K446-Y451 HydrophobicContact CG-CD2 4.45Å; K446-Y451 HydrophobicContact CG-CE1 4.43Å; K446-Y451 HydrophobicContact CG-CE2 3.95Å; K446-Y451 WeakPolarHBondContact O-CD1 3.5Å; K446-E495 HydrophobicContact CD-CG 4.35Å; K446-E495 VanDerWaalsContact NZ-CG 3.3Å; K446-E495 IonicContact NZ-OE1 3.27Å; K446-E495 PolarHBondContact NZ-OE1 2.75Å; K446-A498 HydrophobicContact CG-CB 3.63Å; K446-D500 HydrophobicContact CD-CB 4.3Å; K446-D500 VanDerWaalsContact CE-OD2 3.3Å; K446-D500 WeakPolarHBondContact CE-OD2 3.46Å; K446-D500 IonicContact NZ-OD2 2.61Å; K446-D500 PolarHBondContact NZ-OD2 3.44Å
447T93.4Very high96.4Very high95 Ų9572.3 Ų72.358%0.58336%0.357SS*.THydrogen-bonded Turntrans-92.21176.3510000114.5K445K445-T447 VanDerWaalsContact CD-OG1 3.27Å; K445-T447 WeakPolarHBondContact CD-OG1 3.47Å; K445-T447 WeakPolarHBondContact CE-OG1 3.47Å; K445-T447 PolarHBondContact NZ-OG1 3.25Å; K445-T447 PolarHBondContact O-N 2.75Å
448D95.9Very high96.4Very high50 Ų5067.7 Ų67.727%0.26734%0.335SS..SBendtrans-79.3141.3177.2-68.9-34.2000111.8G444 K445 K450 Y451 L452G444-D448 VanDerWaalsContact CA-OD2 3.3Å; G444-D448 WeakPolarHBondContact CA-OD2 3.26Å; K445-D448 WeakPolarHBondContact CE-OD1 3.45Å; K445-D448 VanDerWaalsContact CG-CG 3.47Å; K445-D448 WeakPolarHBondContact CG-OD2 3.3Å; K445-D448 PolarHBondContact N-OD2 3.11Å; K445-D448 IonicContact NZ-OD1 3.91Å; K445-D448 WeakPolarHBondContact O-CB 3.46Å; K445-D448 PolarHBondContact O-N 3.42Å; D448-K450 PolarHBondContact O-N 2.82Å; D448-K450 VanDerWaalsContact O-N 3.1Å; D448-Y451 WeakPolarHBondContact O-CA 3.42Å; D448-Y451 WeakPolarHBondContact O-CB 3.4Å; D448-Y451 PolarHBondContact O-N 2.99Å; D448-L452 PolarHBondContact O-N 2.83Å; D448-L452 VanDerWaalsContact O-N 3.15Å
449K95.9Very high96.4Very high177 Ų17769.1 Ų69.177%0.7734%0.341SS*.Hα-helixtrans-55.9-31.5176.7-174.7174.6179.1179.20112.8M453K449-M453 WeakPolarHBondContact O-CB 3.34Å; K449-M453 PolarHBondContact O-N 3.37Å
450K95.9Very high96.4Very high94 Ų9475.4 Ų75.441%0.40937%0.368SS..Hα-helixtrans-66.9-35.2175.2-174.4-175.1172.6-178.30112N441 F442 D448 I454N441-K450 PolarHBondContact O-NZ 2.83Å; F442-K450 HydrophobicContact CD2-CB 4.42Å; F442-K450 HydrophobicContact CD2-CD 3.83Å; F442-K450 HydrophobicContact CD2-CG 3.84Å; F442-K450 HydrophobicContact CE2-CB 3.99Å; F442-K450 HydrophobicContact CE2-CD 4.09Å; F442-K450 HydrophobicContact CE2-CG 3.92Å; D448-K450 PolarHBondContact O-N 2.82Å; D448-K450 VanDerWaalsContact O-N 3.1Å; K450-I454 HydrophobicContact CG-CD1 3.99Å; K450-I454 VanDerWaalsContact O-CD1 3.3Å; K450-I454 WeakPolarHBondContact O-CD1 3.09Å; K450-I454 WeakPolarHBondContact O-CG1 3.31Å; K450-I454 PolarHBondContact O-N 3.2Å
451Y97Very high96.5Very high13 Ų1372.6 Ų72.65%0.05135%0.352CS..Hα-helixtrans-66.2-58.2174.4175.2-87.6000109.8F442 K446 D448 M453 I454 E455 L494 A498F442-Y451 HydrophobicContact CE1-CD2 4.43Å; F442-Y451 HydrophobicContact CZ-CD2 4.3Å; K446-Y451 HydrophobicContact CB-CD1 4.27Å; K446-Y451 HydrophobicContact CB-CE1 4.11Å; K446-Y451 HydrophobicContact CB-CE2 4.38Å; K446-Y451 HydrophobicContact CG-CD2 4.45Å; K446-Y451 HydrophobicContact CG-CE1 4.43Å; K446-Y451 HydrophobicContact CG-CE2 3.95Å; K446-Y451 WeakPolarHBondContact O-CD1 3.5Å; D448-Y451 WeakPolarHBondContact O-CA 3.42Å; D448-Y451 WeakPolarHBondContact O-CB 3.4Å; D448-Y451 PolarHBondContact O-N 2.99Å; Y451-M453 VanDerWaalsContact C-N 3.26Å; Y451-M453 PolarHBondContact O-N 3.12Å; Y451-I454 PolarHBondContact O-N 3.41Å; Y451-E455 HydrophobicContact CE1-CB 4.25Å; Y451-E455 HydrophobicContact CE1-CG 4.4Å; Y451-E455 WeakPolarHBondContact CE1-OE1 3.39Å; Y451-E455 WeakPolarHBondContact CE1-OE2 3.5Å; Y451-E455 VanDerWaalsContact CZ-OE1 3.24Å; Y451-E455 WeakPolarHBondContact O-CB 3.22Å; Y451-E455 PolarHBondContact O-N 2.57Å; Y451-E455 PolarHBondContact OH-OE1 3.16Å; Y451-L494 HydrophobicContact CD2-CD1 3.71Å; Y451-L494 HydrophobicContact CD2-CD2 4.22Å; Y451-L494 HydrophobicContact CD2-CG 3.75Å; Y451-L494 HydrophobicContact CE2-CD1 4.07Å; Y451-L494 HydrophobicContact CE2-CD2 4.16Å; Y451-L494 HydrophobicContact CE2-CG 3.61Å; Y451-A498 HydrophobicContact CD2-CB 3.39Å; Y451-A498 HydrophobicContact CE2-CB 3.45Å; Y451-A498 VanDerWaalsContact CE2-CB 3.45Å; Y451-A498 HydrophobicContact CG-CB 4.49Å
452L96.6Very high96.6Very high88 Ų8868.4 Ų68.446%0.46133%0.33SS..Hα-helixtrans-56.6-39.8-175.7-62.9169.9000112.1D448 E456D448-L452 PolarHBondContact O-N 2.83Å; D448-L452 VanDerWaalsContact O-N 3.15Å; L452-E456 VanDerWaalsContact O-CB 3.24Å; L452-E456 WeakPolarHBondContact O-CB 3.32Å; L452-E456 PolarHBondContact O-N 2.9Å
453M97.5Very high96.7Very high66 Ų6674 Ų7433%0.32536%0.359SS..Hα-helixtrans-66.7-40.1176.9-176.9-174.878.300112.9K449 Y451 Y457K449-M453 WeakPolarHBondContact O-CB 3.34Å; K449-M453 PolarHBondContact O-N 3.37Å; Y451-M453 VanDerWaalsContact C-N 3.26Å; Y451-M453 PolarHBondContact O-N 3.12Å; M453-Y457 HydrophobicContact CG-CD2 3.82Å; M453-Y457 HydrophobicContact CG-CE2 3.5Å; M453-Y457 VanDerWaalsContact CG-CE2 3.5Å; M453-Y457 WeakPolarHBondContact O-CD2 3.41Å; M453-Y457 PolarHBondContact O-N 3.23Å; M453-Y457 HydrophobicContact SD-CE2 4.15Å
454I97.6Very high96.8Very high4 Ų466.9 Ų66.92%0.02133%0.33CS..Hα-helixtrans-72.9-39.7178.6-61.7165.7000109.9L435 A438 V439 F442 K450 Y451 Y457 L458 L494L435-I454 HydrophobicContact CD2-CG2 4.44Å; A438-I454 HydrophobicContact CB-CD1 3.89Å; A438-I454 HydrophobicContact CB-CG1 4.24Å; V439-I454 HydrophobicContact CG2-CG2 3.63Å; F442-I454 HydrophobicContact CD2-CD1 4.09Å; K450-I454 HydrophobicContact CG-CD1 3.99Å; K450-I454 VanDerWaalsContact O-CD1 3.3Å; K450-I454 WeakPolarHBondContact O-CD1 3.09Å; K450-I454 WeakPolarHBondContact O-CG1 3.31Å; K450-I454 PolarHBondContact O-N 3.2Å; Y451-I454 PolarHBondContact O-N 3.41Å; I454-Y457 PolarHBondContact O-N 3.45Å; I454-L458 HydrophobicContact CG2-CD1 3.8Å; I454-L458 HydrophobicContact CG2-CG 4.3Å; I454-L458 WeakPolarHBondContact O-CB 3.26Å; I454-L458 WeakPolarHBondContact O-CD1 3Å; I454-L458 VanDerWaalsContact O-CG 3.23Å; I454-L458 WeakPolarHBondContact O-CG 3.23Å; I454-L458 PolarHBondContact O-N 2.94Å; I454-L494 HydrophobicContact CB-CD2 4.02Å; I454-L494 HydrophobicContact CG2-CD2 3.85Å
455E97.4Very high97Very high63 Ų6366 Ų6629%0.29432%0.321SS..Hα-helixtrans-60.8-44.5173.6-175.7177.8-110.500112.1Y451 L458 T459 L491 L494Y451-E455 HydrophobicContact CE1-CB 4.25Å; Y451-E455 HydrophobicContact CE1-CG 4.4Å; Y451-E455 WeakPolarHBondContact CE1-OE1 3.39Å; Y451-E455 WeakPolarHBondContact CE1-OE2 3.5Å; Y451-E455 VanDerWaalsContact CZ-OE1 3.24Å; Y451-E455 WeakPolarHBondContact O-CB 3.22Å; Y451-E455 PolarHBondContact O-N 2.57Å; Y451-E455 PolarHBondContact OH-OE1 3.16Å; E455-L458 PolarHBondContact O-N 3.4Å; E455-T459 VanDerWaalsContact O-CB 3.31Å; E455-T459 WeakPolarHBondContact O-CB 3.2Å; E455-T459 PolarHBondContact O-N 2.68Å; E455-T459 PolarHBondContact O-OG1 3.15Å; E455-L491 HydrophobicContact CG-CD2 4.13Å; E455-L494 HydrophobicContact CB-CD2 4.18Å
456E97.9Very high97Very high126 Ų12666.6 Ų66.659%0.58933%0.328SS*.Hα-helixtrans-58.9-49.8173179.3-178.3-161.700111.3L452 T459 K460L452-E456 VanDerWaalsContact O-CB 3.24Å; L452-E456 WeakPolarHBondContact O-CB 3.32Å; L452-E456 PolarHBondContact O-N 2.9Å; E456-T459 PolarHBondContact O-N 2.91Å; E456-K460 WeakPolarHBondContact O-CB 3.22Å; E456-K460 PolarHBondContact O-N 2.95Å
457Y98.3Very high97.1Very high87 Ų8768.7 Ų68.734%0.34135%0.348SS..Hα-helixtrans-65.6-39.9179.8-76.8-53.4000112.9L435 M453 I454 T459 K460 E461L435-Y457 HydrophobicContact CD2-CD2 4.33Å; L435-Y457 HydrophobicContact CD2-CG 4.26Å; M453-Y457 HydrophobicContact CG-CD2 3.82Å; M453-Y457 HydrophobicContact CG-CE2 3.5Å; M453-Y457 VanDerWaalsContact CG-CE2 3.5Å; M453-Y457 WeakPolarHBondContact O-CD2 3.41Å; M453-Y457 PolarHBondContact O-N 3.23Å; M453-Y457 HydrophobicContact SD-CE2 4.15Å; I454-Y457 PolarHBondContact O-N 3.45Å; Y457-T459 VanDerWaalsContact C-N 3.35Å; Y457-K460 HydrophobicContact CD1-CD 4.38Å; Y457-K460 PolarHBondContact O-N 3.25Å; Y457-E461 WeakPolarHBondContact O-CB 3.46Å; Y457-E461 PolarHBondContact O-N 2.82Å
458L98.2Very high97.2Very high0 Ų064.4 Ų64.40%032%0.322CS..Hα-helixtrans-63.2-42174.2-72.2164.6000111.1L435 V439 I454 E455 E461 L462 V487 I490 L491 L494L435-L458 HydrophobicContact CB-CD2 3.73Å; L435-L458 HydrophobicContact CB-CG 4.22Å; L435-L458 HydrophobicContact CD1-CD2 3.88Å; L435-L458 HydrophobicContact CD1-CG 4.1Å; L435-L458 HydrophobicContact CG-CD2 4.43Å; V439-L458 HydrophobicContact CG2-CD1 4.21Å; I454-L458 HydrophobicContact CG2-CD1 3.8Å; I454-L458 HydrophobicContact CG2-CG 4.3Å; I454-L458 WeakPolarHBondContact O-CB 3.26Å; I454-L458 WeakPolarHBondContact O-CD1 3Å; I454-L458 VanDerWaalsContact O-CG 3.23Å; I454-L458 WeakPolarHBondContact O-CG 3.23Å; I454-L458 PolarHBondContact O-N 2.94Å; E455-L458 PolarHBondContact O-N 3.4Å; L458-E461 PolarHBondContact O-N 2.93Å; L458-L462 PolarHBondContact O-N 3.4Å; L458-V487 HydrophobicContact CB-CG1 4.02Å; L458-V487 HydrophobicContact CD2-CG1 3.96Å; L458-V487 WeakPolarHBondContact O-CG1 3.5Å; L458-I490 HydrophobicContact CD1-CG2 3.79Å; L458-I490 HydrophobicContact CD2-CB 4.15Å; L458-I490 HydrophobicContact CD2-CG2 3.65Å; L458-I490 HydrophobicContact CG-CG2 4.4Å; L458-L491 HydrophobicContact CB-CD1 4.34Å; L458-L491 HydrophobicContact CB-CD2 3.7Å; L458-L491 HydrophobicContact CB-CG 3.88Å; L458-L491 HydrophobicContact CD1-CD2 3.72Å; L458-L491 HydrophobicContact CD1-CG 3.97Å; L458-L491 HydrophobicContact CG-CD2 4.36Å; L458-L491 HydrophobicContact CG-CG 4.49Å; L458-L494 HydrophobicContact CD1-CD2 4.1Å
459T97.9Very high97Very high64 Ų6467.2 Ų67.239%0.39334%0.337SS..Hα-helixtrans-65.4-41.3176.6-57.40000111.9E455 E456 Y457 E461 L462 L463E455-T459 VanDerWaalsContact O-CB 3.31Å; E455-T459 WeakPolarHBondContact O-CB 3.2Å; E455-T459 PolarHBondContact O-N 2.68Å; E455-T459 PolarHBondContact O-OG1 3.15Å; E456-T459 PolarHBondContact O-N 2.91Å; Y457-T459 VanDerWaalsContact C-N 3.35Å; T459-E461 VanDerWaalsContact C-N 3.27Å; T459-E461 PolarHBondContact O-N 3.27Å; T459-L462 WeakPolarHBondContact O-CB 3.29Å; T459-L462 PolarHBondContact O-N 3.35Å; T459-L463 WeakPolarHBondContact O-CD1 3.45Å; T459-L463 PolarHBondContact O-N 2.98Å; T459-L463 VanDerWaalsContact O-N 3.12Å
460K98.1Very high96.7Very high131 Ų13160.6 Ų60.657%0.5731%0.312SS*.Hα-helixtrans-60.5-37.5173-177.1177.5-177.5175.10111.8E456 Y457 L463 A464E456-K460 WeakPolarHBondContact O-CB 3.22Å; E456-K460 PolarHBondContact O-N 2.95Å; Y457-K460 HydrophobicContact CD1-CD 4.38Å; Y457-K460 PolarHBondContact O-N 3.25Å; K460-L463 PolarHBondContact O-N 3.48Å; K460-A464 PolarHBondContact O-N 2.85Å
461E98.2Very high96.4Very high14 Ų1461.9 Ų61.97%0.06532%0.32CS..Hα-helixtrans-78.4-26.2-179.9-146.864.1-136.800112.5I428 K431 V432 Y457 L458 T459 A464 L465I428-E461 WeakPolarHBondContact CA-OE1 3.48Å; I428-E461 WeakPolarHBondContact CB-OE1 3.3Å; I428-E461 WeakPolarHBondContact CG1-OE1 3.48Å; I428-E461 HydrophobicContact CG2-CG 3.68Å; I428-E461 WeakPolarHBondContact CG2-OE1 3.34Å; K431-E461 VanDerWaalsContact NZ-CD 3.27Å; K431-E461 IonicContact NZ-OE1 3.48Å; K431-E461 PolarHBondContact NZ-OE1 3.39Å; K431-E461 IonicContact NZ-OE2 3.71Å; K431-E461 PolarHBondContact NZ-OE2 3.4Å; V432-E461 HydrophobicContact CG2-CB 4.35Å; V432-E461 HydrophobicContact CG2-CG 3.63Å; Y457-E461 WeakPolarHBondContact O-CB 3.46Å; Y457-E461 PolarHBondContact O-N 2.82Å; L458-E461 PolarHBondContact O-N 2.93Å; T459-E461 VanDerWaalsContact C-N 3.27Å; T459-E461 PolarHBondContact O-N 3.27Å; E461-A464 PolarHBondContact O-N 3.11Å; E461-L465 WeakPolarHBondContact O-CG 3.24Å; E461-L465 PolarHBondContact O-N 2.91Å
462L98.1Very high96Very high35 Ų3564 Ų6418%0.18335%0.345CS..Hα-helixtrans-61-47.8162.9-74.6176.2000111.5L458 T459 A464 L465 D466 V484 V487 L491L458-L462 PolarHBondContact O-N 3.4Å; T459-L462 WeakPolarHBondContact O-CB 3.29Å; T459-L462 PolarHBondContact O-N 3.35Å; L462-A464 VanDerWaalsContact C-N 3.3Å; L462-A464 PolarHBondContact O-N 3.43Å; L462-L465 WeakPolarHBondContact O-CB 3.46Å; L462-L465 PolarHBondContact O-N 3.49Å; L462-D466 PolarHBondContact O-N 3.29Å; L462-V484 HydrophobicContact CD2-CB 4.4Å; L462-V484 HydrophobicContact CD2-CG1 4.1Å; L462-V484 HydrophobicContact CD2-CG2 4.34Å; L462-V487 HydrophobicContact CD1-CG1 4.31Å; L462-V487 HydrophobicContact CD2-CB 3.69Å; L462-V487 HydrophobicContact CD2-CG1 3.71Å; L462-V487 HydrophobicContact CD2-CG2 4.49Å; L462-V487 HydrophobicContact CG-CB 4.17Å; L462-V487 HydrophobicContact CG-CG1 3.59Å; L462-L491 HydrophobicContact CD1-CD1 3.91Å
463L97.9Very high95.8Very high120 Ų12064.4 Ų64.463%0.62834%0.341SS*.Hα-helixtrans-62.7-38176.3-94.164.9000111.6T459 K460 D466 S467T459-L463 WeakPolarHBondContact O-CD1 3.45Å; T459-L463 PolarHBondContact O-N 2.98Å; T459-L463 VanDerWaalsContact O-N 3.12Å; K460-L463 PolarHBondContact O-N 3.48Å; L463-D466 PolarHBondContact O-N 3.31Å; L463-S467 WeakPolarHBondContact O-CB 3.39Å; L463-S467 PolarHBondContact O-N 2.91Å
464A97.5Very high95.6Very high25 Ų2564.4 Ų64.421%0.20735%0.351CS..Hα-helixtrans-60.5-48.2173.900000111.5I428 K460 E461 L462 D466 S467 V468I428-A464 HydrophobicContact CD1-CB 4.01Å; I428-A464 HydrophobicContact CG1-CB 4.23Å; K460-A464 PolarHBondContact O-N 2.85Å; E461-A464 PolarHBondContact O-N 3.11Å; L462-A464 VanDerWaalsContact C-N 3.3Å; L462-A464 PolarHBondContact O-N 3.43Å; A464-D466 VanDerWaalsContact C-N 3.33Å; A464-D466 PolarHBondContact O-N 3.34Å; A464-S467 PolarHBondContact O-N 2.83Å; A464-S467 PolarHBondContact O-OG 2.73Å; A464-V468 WeakPolarHBondContact O-CG2 3.49Å; A464-V468 PolarHBondContact O-N 3.46Å
465L97.3Very high95.4Very high0 Ų067.2 Ų67.20%037%0.366CS..Hα-helixtrans-58.5-42.7174-76.5165.7000112.4V425 I428 E461 L462 S467 V468 R480 G483 V484 V487V425-L465 HydrophobicContact CG1-CD2 3.85Å; V425-L465 HydrophobicContact CG2-CD2 4.33Å; I428-L465 HydrophobicContact CB-CD2 4.41Å; I428-L465 HydrophobicContact CD1-CD2 4.42Å; I428-L465 HydrophobicContact CG2-CD1 4.28Å; I428-L465 HydrophobicContact CG2-CD2 3.65Å; I428-L465 HydrophobicContact CG2-CG 3.59Å; E461-L465 WeakPolarHBondContact O-CG 3.24Å; E461-L465 PolarHBondContact O-N 2.91Å; L462-L465 WeakPolarHBondContact O-CB 3.46Å; L462-L465 PolarHBondContact O-N 3.49Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 3.39Å; L465-V468 PolarHBondContact O-N 2.65Å; L465-V468 VanDerWaalsContact O-N 3.16Å; L465-R480 VanDerWaalsContact O-CD 3.24Å; L465-R480 WeakPolarHBondContact O-CD 3.44Å; L465-R480 PolarHBondContact O-NE 2.97Å; L465-G483 VanDerWaalsContact CD1-C 3.46Å; L465-V484 HydrophobicContact CB-CG2 3.96Å; L465-V484 HydrophobicContact CD1-CG2 3.98Å; L465-V487 HydrophobicContact CD1-CG2 4.05Å
466D96.1Very high95.4Very high102 Ų10264.2 Ų64.255%0.54535%0.352SS..Hα-helixtrans-70.8-27.8-177.6-14766.9000112.8L462 L463 A464 V468 R480L462-D466 PolarHBondContact O-N 3.29Å; L463-D466 PolarHBondContact O-N 3.31Å; A464-D466 VanDerWaalsContact C-N 3.33Å; A464-D466 PolarHBondContact O-N 3.34Å; D466-V468 VanDerWaalsContact C-N 3.28Å; D466-V468 PolarHBondContact O-N 2.99Å; D466-R480 PolarHBondContact O-NH1 3.13Å; D466-R480 PolarHBondContact O-NH2 2.91Å; D466-R480 IonicContact OD1-CZ 2.77Å; D466-R480 IonicContact OD1-NE 3.54Å; D466-R480 IonicContact OD1-NH2 3.43Å; D466-R480 PolarHBondContact OD1-NH2 3.16Å; D466-R480 IonicContact OD2-NH2 3.44Å; D466-R480 PolarHBondContact OD2-NH2 2.95Å
467S95.8Very high95.3Very high88 Ų8863.4 Ų63.462%0.61534%0.344SS*.THydrogen-bonded Turntrans-74-8.9171.5780000114.9L463 A464 L465 D469L463-S467 WeakPolarHBondContact O-CB 3.39Å; L463-S467 PolarHBondContact O-N 2.91Å; A464-S467 PolarHBondContact O-N 2.83Å; A464-S467 PolarHBondContact O-OG 2.73Å; L465-S467 VanDerWaalsContact C-N 3.29Å; L465-S467 PolarHBondContact O-N 3.39Å; S467-D469 PolarHBondContact O-N 3.41Å
468V95.8Very high95.2Very high5 Ų563 Ų633%0.0335%0.345CS..SBendtrans-78.7107.5177.9-173.20000110.7K424 V425 I428 A464 L465 D466 P470 V476 R480K424-V468 HydrophobicContact CB-CG1 4.28Å; K424-V468 HydrophobicContact CB-CG2 4.23Å; K424-V468 HydrophobicContact CD-CG1 4.38Å; V425-V468 HydrophobicContact CG2-CB 4.19Å; V425-V468 HydrophobicContact CG2-CG1 4.01Å; V425-V468 HydrophobicContact CG2-CG2 4.04Å; I428-V468 HydrophobicContact CD1-CG2 3.69Å; A464-V468 WeakPolarHBondContact O-CG2 3.49Å; A464-V468 PolarHBondContact O-N 3.46Å; L465-V468 PolarHBondContact O-N 2.65Å; L465-V468 VanDerWaalsContact O-N 3.16Å; D466-V468 VanDerWaalsContact C-N 3.28Å; D466-V468 PolarHBondContact O-N 2.99Å; V468-P470 WeakPolarHBondContact O-CD 3.28Å; V468-V476 HydrophobicContact CG1-CG1 4Å; V468-R480 PolarHBondContact O-NH1 3.39Å
469D92.4Very high95.1Very high110 Ų11064 Ų6459%0.58835%0.353SS*.  trans-54.9124.4170.2-69.2-57.8000111.7S467 E471S467-D469 PolarHBondContact O-N 3.41Å; D469-E471 VanDerWaalsContact C-N 3.31Å; D469-E471 HydrophobicContact CB-CG 4.49Å; D469-E471 PolarHBondContact O-N 2.76Å
470P89.9Confident95.1Very high37 Ų3763.5 Ų63.524%0.2434%0.344CS..  trans-79.8-10.2178.229.8-33.6000114V468 G472 R473 V476 R477V468-P470 WeakPolarHBondContact O-CD 3.28Å; P470-G472 PolarHBondContact O-N 3.23Å; P470-R473 WeakPolarHBondContact O-CG 3.39Å; P470-R473 PolarHBondContact O-N 3.07Å; P470-V476 HydrophobicContact CB-CB 4.42Å; P470-V476 HydrophobicContact CB-CG1 4.44Å; P470-R477 HydrophobicContact CB-CG 3.56Å; P470-R477 HydrophobicContact CG-CG 4.28Å
471E89.8Confident95.1Very high122 Ų12264.3 Ų64.357%0.5734%0.343SS*.THydrogen-bonded Turntrans48.132.1-177.1-65.7176.7-127.100113.8H419 D469 R473H419-E471 VanDerWaalsContact CE1-CD 3.49Å; H419-E471 IonicContact CE1-OE1 3.75Å; H419-E471 PolarHBondContact CE1-OE1 3.29Å; H419-E471 IonicContact CE1-OE2 2.71Å; H419-E471 PolarHBondContact CE1-OE2 2.89Å; H419-E471 IonicContact NE2-OE2 3.91Å; D469-E471 VanDerWaalsContact C-N 3.31Å; D469-E471 HydrophobicContact CB-CG 4.49Å; D469-E471 PolarHBondContact O-N 2.76Å; E471-R473 HydrophobicContact CB-CG 4.23Å; E471-R473 PolarHBondContact O-N 2.69Å
472G88.3Confident95.1Very high56 Ų5666.4 Ų66.458%0.57736%0.355SS*.THydrogen-bonded Turntrans72.7-3.5-175.400000115.6P470 R477P470-G472 PolarHBondContact O-N 3.23Å; G472-R477 PolarHBondContact O-NH1 3.44Å; G472-R477 PolarHBondContact O-NH2 2.93Å; G472-R477 VanDerWaalsContact O-NH2 3.12Å
473R92.3Very high95.1Very high98 Ų9864.8 Ų64.837%0.3735%0.346SS..  trans-82.8145.9-173.4-33.7-142.8-32.9176.39.9113H419 P470 E471 D475 V476 R477H419-R473 PolarHBondContact CD2-NH1 2.54Å; H419-R473 VanDerWaalsContact CG-CZ 3.47Å; P470-R473 WeakPolarHBondContact O-CG 3.39Å; P470-R473 PolarHBondContact O-N 3.07Å; E471-R473 HydrophobicContact CB-CG 4.23Å; E471-R473 PolarHBondContact O-N 2.69Å; R473-D475 WeakPolarHBondContact CB-OD1 3.27Å; R473-D475 IonicContact CZ-OD1 2.65Å; R473-D475 IonicContact CZ-OD2 2.73Å; R473-D475 IonicContact NE-OD1 3.67Å; R473-D475 PolarHBondContact NE-OD1 2.85Å; R473-D475 IonicContact NE-OD2 3.52Å; R473-D475 IonicContact NH2-OD1 3.73Å; R473-D475 IonicContact NH2-OD2 3.39Å; R473-D475 PolarHBondContact NH2-OD2 3.33Å; R473-V476 HydrophobicContact CB-CG2 4.28Å; R473-R477 WeakPolarHBondContact O-CG 3.48Å; R473-R477 PolarHBondContact O-N 2.97Å
474A93.7Very high95.1Very high66 Ų6660.6 Ų60.655%0.54533%0.326SS..Hα-helixtrans-78.2-33-177.100000113.2Q478A474-Q478 VanDerWaalsContact O-CB 3.3Å; A474-Q478 WeakPolarHBondContact O-CB 3.34Å; A474-Q478 PolarHBondContact O-N 3.43Å
475D93Very high95.1Very high62 Ų6265.2 Ų65.233%0.33234%0.338SS..Hα-helixtrans-63.4-49.9177.157.4-24.4000112V422 R473 Q478 A479V422-D475 HydrophobicContact CG2-CB 4.09Å; V422-D475 WeakPolarHBondContact CG2-OD2 3.15Å; R473-D475 WeakPolarHBondContact CB-OD1 3.27Å; R473-D475 IonicContact CZ-OD1 2.65Å; R473-D475 IonicContact CZ-OD2 2.73Å; R473-D475 IonicContact NE-OD1 3.67Å; R473-D475 PolarHBondContact NE-OD1 2.85Å; R473-D475 IonicContact NE-OD2 3.52Å; R473-D475 IonicContact NH2-OD1 3.73Å; R473-D475 IonicContact NH2-OD2 3.39Å; R473-D475 PolarHBondContact NH2-OD2 3.33Å; D475-Q478 PolarHBondContact O-N 3.48Å; D475-A479 WeakPolarHBondContact O-CB 3.49Å; D475-A479 PolarHBondContact O-N 2.81Å
476V96.1Very high95.2Very high0 Ų068 Ų680%035%0.35CS..Hα-helixtrans-63.6-44177.4-168.80000111.1H419 V422 V468 P470 R473 Q478 A479 R480H419-V476 HydrophobicContact CB-CG2 4.34Å; H419-V476 WeakPolarHBondContact ND1-CG2 3.4Å; V422-V476 HydrophobicContact CG2-CG2 3.87Å; V468-V476 HydrophobicContact CG1-CG1 4Å; P470-V476 HydrophobicContact CB-CB 4.42Å; P470-V476 HydrophobicContact CB-CG1 4.44Å; R473-V476 HydrophobicContact CB-CG2 4.28Å; V476-Q478 VanDerWaalsContact C-N 3.29Å; V476-Q478 PolarHBondContact O-N 3.12Å; V476-A479 PolarHBondContact O-N 3.06Å; V476-R480 WeakPolarHBondContact O-CB 3.47Å; V476-R480 PolarHBondContact O-N 3.03Å
477R96.3Very high95.3Very high110 Ų11063.2 Ų63.242%0.41532%0.324SS..Hα-helixtrans-61.1-35.9174.4-76.9-167.6-62.5-95.9-8.6112.9P470 G472 R473 R481P470-R477 HydrophobicContact CB-CG 3.56Å; P470-R477 HydrophobicContact CG-CG 4.28Å; G472-R477 PolarHBondContact O-NH1 3.44Å; G472-R477 PolarHBondContact O-NH2 2.93Å; G472-R477 VanDerWaalsContact O-NH2 3.12Å; R473-R477 WeakPolarHBondContact O-CG 3.48Å; R473-R477 PolarHBondContact O-N 2.97Å; R477-R481 WeakPolarHBondContact O-CB 3.42Å; R477-R481 VanDerWaalsContact O-CG 3.24Å; R477-R481 WeakPolarHBondContact O-CG 3.21Å; R477-R481 PolarHBondContact O-N 3.47Å; R477-R481 PolarHBondContact O-NE 3.01Å
478Q96.8Very high95.4Very high77 Ų7763.9 Ų63.936%0.3632%0.318SS..Hα-helixtrans-69-55.2178.2-175.257.132.600110A474 D475 V476 R480 R481 D482A474-Q478 VanDerWaalsContact O-CB 3.3Å; A474-Q478 WeakPolarHBondContact O-CB 3.34Å; A474-Q478 PolarHBondContact O-N 3.43Å; D475-Q478 PolarHBondContact O-N 3.48Å; V476-Q478 VanDerWaalsContact C-N 3.29Å; V476-Q478 PolarHBondContact O-N 3.12Å; Q478-R480 VanDerWaalsContact C-N 3.32Å; Q478-R480 PolarHBondContact O-N 2.93Å; Q478-R481 PolarHBondContact O-N 3.07Å; Q478-D482 WeakPolarHBondContact CG-OD2 3.41Å; Q478-D482 VanDerWaalsContact NE2-CG 3.28Å; Q478-D482 PolarHBondContact NE2-OD1 3.47Å; Q478-D482 VanDerWaalsContact NE2-OD1 3.13Å; Q478-D482 PolarHBondContact NE2-OD2 3.44Å; Q478-D482 PolarHBondContact O-N 3.22Å
479A96.5Very high95.6Very high21 Ų2167.6 Ų67.617%0.17434%0.341CS..Hα-helixtrans-56.2-43.4179.500000112.4V425 D475 V476 D482 G483V425-A479 HydrophobicContact CB-CB 4.24Å; V425-A479 HydrophobicContact CG1-CB 3.72Å; D475-A479 WeakPolarHBondContact O-CB 3.49Å; D475-A479 PolarHBondContact O-N 2.81Å; V476-A479 PolarHBondContact O-N 3.06Å; A479-D482 PolarHBondContact O-N 3.42Å; A479-G483 PolarHBondContact O-N 2.95Å
480R97.6Very high95.8Very high55 Ų5562.5 Ų62.521%0.20831%0.313CS..Hα-helixtrans-60.4-45.5175.4175.7174161.1167.8-2.7112.1V425 L465 D466 V468 V476 Q478 G483 V484V425-R480 HydrophobicContact CG2-CB 4.46Å; L465-R480 VanDerWaalsContact O-CD 3.24Å; L465-R480 WeakPolarHBondContact O-CD 3.44Å; L465-R480 PolarHBondContact O-NE 2.97Å; D466-R480 PolarHBondContact O-NH1 3.13Å; D466-R480 PolarHBondContact O-NH2 2.91Å; D466-R480 IonicContact OD1-CZ 2.77Å; D466-R480 IonicContact OD1-NE 3.54Å; D466-R480 IonicContact OD1-NH2 3.43Å; D466-R480 PolarHBondContact OD1-NH2 3.16Å; D466-R480 IonicContact OD2-NH2 3.44Å; D466-R480 PolarHBondContact OD2-NH2 2.95Å; V468-R480 PolarHBondContact O-NH1 3.39Å; V476-R480 WeakPolarHBondContact O-CB 3.47Å; V476-R480 PolarHBondContact O-N 3.03Å; Q478-R480 VanDerWaalsContact C-N 3.32Å; Q478-R480 PolarHBondContact O-N 2.93Å; R480-G483 PolarHBondContact O-N 3.3Å; R480-V484 WeakPolarHBondContact O-CG2 3.5Å; R480-V484 PolarHBondContact O-N 2.87Å
481R97.8Very high96.2Very high147 Ų14762.5 Ų62.556%0.55531%0.311SS*.Hα-helixtrans-67.6-36177.7-71.6-176.4-55.2168.95.6112.8R477 Q478 R485R477-R481 WeakPolarHBondContact O-CB 3.42Å; R477-R481 VanDerWaalsContact O-CG 3.24Å; R477-R481 WeakPolarHBondContact O-CG 3.21Å; R477-R481 PolarHBondContact O-N 3.47Å; R477-R481 PolarHBondContact O-NE 3.01Å; Q478-R481 PolarHBondContact O-N 3.07Å; R481-R485 PolarHBondContact O-N 3.04Å; R481-R485 VanDerWaalsContact O-N 3.15Å
482D97.9Very high96.5Very high59 Ų5962.3 Ų62.332%0.31631%0.31SS..Hα-helixtrans-68.2-42175.1-69.2-37.1000111.4Q478 A479 R485 K486Q478-D482 WeakPolarHBondContact CG-OD2 3.41Å; Q478-D482 VanDerWaalsContact NE2-CG 3.28Å; Q478-D482 PolarHBondContact NE2-OD1 3.47Å; Q478-D482 VanDerWaalsContact NE2-OD1 3.13Å; Q478-D482 PolarHBondContact NE2-OD2 3.44Å; Q478-D482 PolarHBondContact O-N 3.22Å; A479-D482 PolarHBondContact O-N 3.42Å; D482-R485 PolarHBondContact O-N 3.15Å; D482-R485 IonicContact OD1-CZ 3.18Å; D482-R485 IonicContact OD1-NH1 2.68Å; D482-R485 PolarHBondContact OD1-NH1 2.89Å; D482-R485 IonicContact OD1-NH2 2.69Å; D482-R485 PolarHBondContact OD1-NH2 3.15Å; D482-K486 PolarHBondContact O-N 2.72Å
483G97.9Very high97Very high0 Ų063.5 Ų63.50%030%0.299CS..Hα-helixtrans-64.9-44.3174.900000113.6L465 A479 R480 R485 K486 V487L465-G483 VanDerWaalsContact CD1-C 3.46Å; A479-G483 PolarHBondContact O-N 2.95Å; R480-G483 PolarHBondContact O-N 3.3Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-R485 PolarHBondContact O-N 2.97Å; G483-K486 PolarHBondContact O-N 3.01Å; G483-K486 VanDerWaalsContact O-N 3.13Å; G483-V487 WeakPolarHBondContact O-CG2 3.44Å; G483-V487 PolarHBondContact O-N 3Å
484V98.3Very high97.2Very high32 Ų3258.8 Ų58.819%0.19428%0.282CS..Hα-helixtrans-60.9-44.4177167.40000110.4L462 L465 R480 K486 V487 Q488L462-V484 HydrophobicContact CD2-CB 4.4Å; L462-V484 HydrophobicContact CD2-CG1 4.1Å; L462-V484 HydrophobicContact CD2-CG2 4.34Å; L465-V484 HydrophobicContact CB-CG2 3.96Å; L465-V484 HydrophobicContact CD1-CG2 3.98Å; R480-V484 WeakPolarHBondContact O-CG2 3.5Å; R480-V484 PolarHBondContact O-N 2.87Å; V484-K486 PolarHBondContact O-N 3.36Å; V484-V487 PolarHBondContact O-N 2.88Å; V484-Q488 WeakPolarHBondContact O-CB 3.32Å; V484-Q488 VanDerWaalsContact O-CG 3.29Å; V484-Q488 WeakPolarHBondContact O-CG 3.49Å; V484-Q488 PolarHBondContact O-N 2.77Å
485R98.4Very high97.2Very high122 Ų12260.2 Ų60.246%0.4628%0.277SS..Hα-helixtrans-59-45.6172.4-93.4-176-82.11002.3112.2R481 D482 G483 V487 Q488 T489R481-R485 PolarHBondContact O-N 3.04Å; R481-R485 VanDerWaalsContact O-N 3.15Å; D482-R485 PolarHBondContact O-N 3.15Å; D482-R485 IonicContact OD1-CZ 3.18Å; D482-R485 IonicContact OD1-NH1 2.68Å; D482-R485 PolarHBondContact OD1-NH1 2.89Å; D482-R485 IonicContact OD1-NH2 2.69Å; D482-R485 PolarHBondContact OD1-NH2 3.15Å; G483-R485 VanDerWaalsContact C-N 3.33Å; G483-R485 PolarHBondContact O-N 2.97Å; R485-V487 PolarHBondContact O-N 3.19Å; R485-Q488 PolarHBondContact O-N 2.82Å; R485-T489 PolarHBondContact O-N 3.01Å; R485-T489 PolarHBondContact O-OG1 2.76Å
486K98.2Very high97.3Very high60 Ų6064.4 Ų64.426%0.26130%0.295SS..Hα-helixtrans-58.8-48.1178.8-164.7-170179.9-164.80111.5L429 V432 E436 D482 G483 V484 Q488 T489 I490L429-K486 HydrophobicContact CD2-CD 4.22Å; V432-K486 HydrophobicContact CG1-CD 4Å; V432-K486 HydrophobicContact CG1-CG 4.39Å; E436-K486 VanDerWaalsContact CD-CE 3.4Å; E436-K486 WeakPolarHBondContact OE1-CE 3.45Å; E436-K486 IonicContact OE1-NZ 3.06Å; E436-K486 PolarHBondContact OE1-NZ 3.2Å; E436-K486 VanDerWaalsContact OE2-CE 3.23Å; E436-K486 WeakPolarHBondContact OE2-CE 3.47Å; E436-K486 IonicContact OE2-NZ 2.67Å; E436-K486 PolarHBondContact OE2-NZ 3.19Å; D482-K486 PolarHBondContact O-N 2.72Å; G483-K486 PolarHBondContact O-N 3.01Å; G483-K486 VanDerWaalsContact O-N 3.13Å; V484-K486 PolarHBondContact O-N 3.36Å; K486-Q488 PolarHBondContact O-N 3.2Å; K486-T489 PolarHBondContact O-N 2.97Å; K486-I490 HydrophobicContact CD-CD1 4.3Å; K486-I490 HydrophobicContact CG-CD1 3.92Å; K486-I490 WeakPolarHBondContact O-CD1 3.24Å; K486-I490 VanDerWaalsContact O-CG1 3.26Å; K486-I490 WeakPolarHBondContact O-CG1 2.98Å; K486-I490 PolarHBondContact O-N 2.74Å
487V98.4Very high97.2Very high0 Ų067.7 Ų67.70%031%0.309CS..Hα-helixtrans-64.9-39179.81800000111.6V432 L458 L462 L465 G483 V484 R485 I490 L491V432-V487 HydrophobicContact CB-CG2 4.2Å; V432-V487 HydrophobicContact CG1-CG2 3.61Å; V432-V487 HydrophobicContact CG2-CG2 3.43Å; V432-V487 VanDerWaalsContact CG2-CG2 3.43Å; L458-V487 HydrophobicContact CB-CG1 4.02Å; L458-V487 HydrophobicContact CD2-CG1 3.96Å; L458-V487 WeakPolarHBondContact O-CG1 3.5Å; L462-V487 HydrophobicContact CD1-CG1 4.31Å; L462-V487 HydrophobicContact CD2-CB 3.69Å; L462-V487 HydrophobicContact CD2-CG1 3.71Å; L462-V487 HydrophobicContact CD2-CG2 4.49Å; L462-V487 HydrophobicContact CG-CB 4.17Å; L462-V487 HydrophobicContact CG-CG1 3.59Å; L465-V487 HydrophobicContact CD1-CG2 4.05Å; G483-V487 WeakPolarHBondContact O-CG2 3.44Å; G483-V487 PolarHBondContact O-N 3Å; V484-V487 PolarHBondContact O-N 2.88Å; R485-V487 PolarHBondContact O-N 3.19Å; V487-I490 PolarHBondContact O-N 3.43Å; V487-L491 HydrophobicContact CG1-CD1 4.29Å; V487-L491 PolarHBondContact O-N 2.76Å
488Q98.3Very high97Very high102 Ų10262.6 Ų62.648%0.47729%0.291SS..Hα-helixtrans-61.2-45.3173.5-74.2171.5-22.900112.1V484 R485 K486 I490 L491 E492V484-Q488 WeakPolarHBondContact O-CB 3.32Å; V484-Q488 VanDerWaalsContact O-CG 3.29Å; V484-Q488 WeakPolarHBondContact O-CG 3.49Å; V484-Q488 PolarHBondContact O-N 2.77Å; R485-Q488 PolarHBondContact O-N 2.82Å; K486-Q488 PolarHBondContact O-N 3.2Å; Q488-I490 VanDerWaalsContact C-N 3.29Å; Q488-I490 PolarHBondContact O-N 2.9Å; Q488-L491 PolarHBondContact O-N 3.13Å; Q488-E492 PolarHBondContact O-N 2.69Å
489T98.5Very high96.2Very high84 Ų8464.8 Ų64.852%0.51530%0.303SS..Hα-helixtrans-63.3-33.1174.4-590000112.6R485 K486 K493R485-T489 PolarHBondContact O-N 3.01Å; R485-T489 PolarHBondContact O-OG1 2.76Å; K486-T489 PolarHBondContact O-N 2.97Å; T489-K493 VanDerWaalsContact O-CB 3.27Å; T489-K493 WeakPolarHBondContact O-CB 3.42Å; T489-K493 PolarHBondContact O-N 3.12Å
490I98.1Very high95.2Very high3 Ų368.2 Ų68.22%0.01532%0.319CS..Hα-helixtrans-73.2-37.4175.9-64.9158.6000111.4V432 E436 V439 L458 K486 V487 Q488 K493 L494V432-I490 HydrophobicContact CG1-CD1 3.37Å; E436-I490 HydrophobicContact CB-CD1 3.75Å; E436-I490 HydrophobicContact CB-CG1 4.17Å; E436-I490 HydrophobicContact CG-CD1 4.09Å; E436-I490 HydrophobicContact CG-CG1 4.14Å; V439-I490 HydrophobicContact CB-CG2 4.13Å; V439-I490 HydrophobicContact CG1-CG2 4.48Å; V439-I490 HydrophobicContact CG2-CG2 3.6Å; L458-I490 HydrophobicContact CD1-CG2 3.79Å; L458-I490 HydrophobicContact CD2-CB 4.15Å; L458-I490 HydrophobicContact CD2-CG2 3.65Å; L458-I490 HydrophobicContact CG-CG2 4.4Å; K486-I490 HydrophobicContact CD-CD1 4.3Å; K486-I490 HydrophobicContact CG-CD1 3.92Å; K486-I490 WeakPolarHBondContact O-CD1 3.24Å; K486-I490 VanDerWaalsContact O-CG1 3.26Å; K486-I490 WeakPolarHBondContact O-CG1 2.98Å; K486-I490 PolarHBondContact O-N 2.74Å; V487-I490 PolarHBondContact O-N 3.43Å; Q488-I490 VanDerWaalsContact C-N 3.29Å; Q488-I490 PolarHBondContact O-N 2.9Å; I490-K493 PolarHBondContact O-N 3.32Å; I490-L494 WeakPolarHBondContact O-CB 3.47Å; I490-L494 PolarHBondContact O-N 2.71Å
491L97.4Very high93Very high37 Ų3770.2 Ų70.219%0.19434%0.337CS..Hα-helixtrans-63.2-46.4172.1-79.5165.9000111.5E455 L458 L462 V487 Q488 K493 L494 E495E455-L491 HydrophobicContact CG-CD2 4.13Å; L458-L491 HydrophobicContact CB-CD1 4.34Å; L458-L491 HydrophobicContact CB-CD2 3.7Å; L458-L491 HydrophobicContact CB-CG 3.88Å; L458-L491 HydrophobicContact CD1-CD2 3.72Å; L458-L491 HydrophobicContact CD1-CG 3.97Å; L458-L491 HydrophobicContact CG-CD2 4.36Å; L458-L491 HydrophobicContact CG-CG 4.49Å; L462-L491 HydrophobicContact CD1-CD1 3.91Å; V487-L491 HydrophobicContact CG1-CD1 4.29Å; V487-L491 PolarHBondContact O-N 2.76Å; Q488-L491 PolarHBondContact O-N 3.13Å; L491-K493 VanDerWaalsContact C-N 3.33Å; L491-K493 PolarHBondContact O-N 3.21Å; L491-L494 WeakPolarHBondContact O-CB 3.33Å; L491-L494 PolarHBondContact O-N 2.76Å; L491-E495 PolarHBondContact O-N 3.3Å
492E97.4Very high90.9Very high117 Ų11769.4 Ų69.455%0.54735%0.35SS..Hα-helixtrans-58.9-44.2173.7-177.5178.8-159.300111.2Q488 L494 E495 Q496Q488-E492 PolarHBondContact O-N 2.69Å; E492-L494 VanDerWaalsContact C-N 3.34Å; E492-L494 PolarHBondContact O-N 3.12Å; E492-E495 PolarHBondContact O-N 3.01Å; E492-Q496 VanDerWaalsContact O-CG 3.22Å; E492-Q496 WeakPolarHBondContact O-CG 3.47Å; E492-Q496 PolarHBondContact O-N 3.04Å
493K97.3Very high88.5Confident81 Ų8169.4 Ų69.435%0.35237%0.365SS..Hα-helixtrans-63.3-37.6175.7-167.6-179.8-170.4-175.20112.5V439 D440 T489 I490 L491 K497V439-K493 HydrophobicContact CG1-CB 4.18Å; V439-K493 HydrophobicContact CG1-CD 4.29Å; V439-K493 HydrophobicContact CG1-CG 4.06Å; D440-K493 WeakPolarHBondContact OD1-CE 3.44Å; D440-K493 IonicContact OD1-NZ 3.71Å; D440-K493 PolarHBondContact OD1-NZ 2.93Å; D440-K493 IonicContact OD2-NZ 2.69Å; D440-K493 PolarHBondContact OD2-NZ 3.42Å; T489-K493 VanDerWaalsContact O-CB 3.27Å; T489-K493 WeakPolarHBondContact O-CB 3.42Å; T489-K493 PolarHBondContact O-N 3.12Å; I490-K493 PolarHBondContact O-N 3.32Å; L491-K493 VanDerWaalsContact C-N 3.33Å; L491-K493 PolarHBondContact O-N 3.21Å; K493-K497 WeakPolarHBondContact O-CB 3.38Å; K493-K497 VanDerWaalsContact O-CG 3.3Å; K493-K497 WeakPolarHBondContact O-CG 3.3Å; K493-K497 PolarHBondContact O-N 3.44Å
494L96.9Very high85.8Confident0 Ų076.3 Ų76.30%040%0.397CS..Hα-helixtrans-65.7-43.6174.3176.957.9000111.1V439 F442 Y451 I454 E455 L458 I490 L491 E492 K497 A498V439-L494 HydrophobicContact CG1-CB 3.93Å; V439-L494 HydrophobicContact CG2-CB 3.83Å; V439-L494 HydrophobicContact CG2-CD1 4.17Å; V439-L494 HydrophobicContact CG2-CD2 4.31Å; V439-L494 HydrophobicContact CG2-CG 4.3Å; F442-L494 HydrophobicContact CB-CD1 4.21Å; F442-L494 HydrophobicContact CD1-CD1 3.86Å; F442-L494 HydrophobicContact CD2-CD1 4.16Å; F442-L494 HydrophobicContact CE1-CD1 4.35Å; F442-L494 HydrophobicContact CG-CD1 3.77Å; Y451-L494 HydrophobicContact CD2-CD1 3.71Å; Y451-L494 HydrophobicContact CD2-CD2 4.22Å; Y451-L494 HydrophobicContact CD2-CG 3.75Å; Y451-L494 HydrophobicContact CE2-CD1 4.07Å; Y451-L494 HydrophobicContact CE2-CD2 4.16Å; Y451-L494 HydrophobicContact CE2-CG 3.61Å; I454-L494 HydrophobicContact CB-CD2 4.02Å; I454-L494 HydrophobicContact CG2-CD2 3.85Å; E455-L494 HydrophobicContact CB-CD2 4.18Å; L458-L494 HydrophobicContact CD1-CD2 4.1Å; I490-L494 WeakPolarHBondContact O-CB 3.47Å; I490-L494 PolarHBondContact O-N 2.71Å; L491-L494 WeakPolarHBondContact O-CB 3.33Å; L491-L494 PolarHBondContact O-N 2.76Å; E492-L494 VanDerWaalsContact C-N 3.34Å; E492-L494 PolarHBondContact O-N 3.12Å; L494-K497 PolarHBondContact O-N 3.36Å; L494-A498 VanDerWaalsContact O-CB 3.27Å; L494-A498 WeakPolarHBondContact O-CB 3.5Å; L494-A498 PolarHBondContact O-N 3.39Å
495E94.7Very high83.5Confident95 Ų9581.6 Ų81.644%0.44443%0.429SS..Hα-helixtrans-61.8-46.9176.8-163.3-172.9-178.700111.5K446 L491 E492 K497 A498K446-E495 HydrophobicContact CD-CG 4.35Å; K446-E495 VanDerWaalsContact NZ-CG 3.3Å; K446-E495 IonicContact NZ-OE1 3.27Å; K446-E495 PolarHBondContact NZ-OE1 2.75Å; L491-E495 PolarHBondContact O-N 3.3Å; E492-E495 PolarHBondContact O-N 3.01Å; E495-K497 VanDerWaalsContact C-N 3.28Å; E495-K497 PolarHBondContact O-N 3.5Å; E495-A498 PolarHBondContact O-N 3.23Å
496Q95.1Very high80.7Confident151 Ų15181.6 Ų81.671%0.70643%0.434SS*.Hα-helixtrans-67.3-26.5179.4-64.5-734.300113.2E492E492-Q496 VanDerWaalsContact O-CG 3.22Å; E492-Q496 WeakPolarHBondContact O-CG 3.47Å; E492-Q496 PolarHBondContact O-N 3.04Å
497K93.1Very high78.2Confident69 Ų6985 Ų8530%0.346%0.46SS..Hα-helixtrans-86.5-16.2174.4-74.8-167.174.3-1560113.7V439 D440 F442 K493 L494 E495 I499V439-K497 PolarHBondContact O-NZ 3.31Å; D440-K497 VanDerWaalsContact C-NZ 3.31Å; D440-K497 PolarHBondContact O-NZ 3.04Å; F442-K497 HydrophobicContact CD1-CB 4.45Å; F442-K497 VanDerWaalsContact O-CE 3.25Å; F442-K497 WeakPolarHBondContact O-CE 3.19Å; F442-K497 PolarHBondContact O-NZ 3.47Å; K493-K497 WeakPolarHBondContact O-CB 3.38Å; K493-K497 VanDerWaalsContact O-CG 3.3Å; K493-K497 WeakPolarHBondContact O-CG 3.3Å; K493-K497 PolarHBondContact O-N 3.44Å; L494-K497 PolarHBondContact O-N 3.36Å; E495-K497 VanDerWaalsContact C-N 3.28Å; E495-K497 PolarHBondContact O-N 3.5Å; K497-I499 PolarHBondContact O-N 3.37Å
498A92.8Very high75.5Confident3 Ų393.1 Ų93.13%0.02549%0.492CS..BIsolated β-bridgetrans-90.1103.4177.200000109.8F442 K446 Y451 L494 E495 D500F442-A498 HydrophobicContact CE1-CB 3.88Å; K446-A498 HydrophobicContact CG-CB 3.63Å; Y451-A498 HydrophobicContact CD2-CB 3.39Å; Y451-A498 HydrophobicContact CE2-CB 3.45Å; Y451-A498 VanDerWaalsContact CE2-CB 3.45Å; Y451-A498 HydrophobicContact CG-CB 4.49Å; L494-A498 VanDerWaalsContact O-CB 3.27Å; L494-A498 WeakPolarHBondContact O-CB 3.5Å; L494-A498 PolarHBondContact O-N 3.39Å; E495-A498 PolarHBondContact O-N 3.23Å; A498-D500 PolarHBondContact O-N 3.2Å
499I79.6Confident73.1Confident122 Ų12296.2 Ų96.263%0.62651%0.506SS*.  trans-60.1107.8-177.5-56.9177.6000108.5G444 K445 K497 V501G444-I499 PolarHBondContact O-N 2.63Å; K445-I499 WeakPolarHBondContact CA-O 3.41Å; K445-I499 VanDerWaalsContact CB-O 3.25Å; K445-I499 WeakPolarHBondContact CB-O 3.4Å; K497-I499 PolarHBondContact O-N 3.37Å; I499-V501 PolarHBondContact O-N 3.36Å
500D74.5Confident70.3Confident93 Ų9398.7 Ų98.750%0.49752%0.516SS..  trans-75.4126.1178-151.6-19.2000108.8K446 A498 P502K446-D500 HydrophobicContact CD-CB 4.3Å; K446-D500 VanDerWaalsContact CE-OD2 3.3Å; K446-D500 WeakPolarHBondContact CE-OD2 3.46Å; K446-D500 IonicContact NZ-OD2 2.61Å; K446-D500 PolarHBondContact NZ-OD2 3.44Å; A498-D500 PolarHBondContact O-N 3.2Å; D500-P502 VanDerWaalsContact O-CD 3.29Å; D500-P502 WeakPolarHBondContact O-CD 3.49Å
501V52.4Low67.1Low98 Ų98106 Ų10659%0.59455%0.55SS*.  trans-96.9102.1173.3177.30000105.5I499 G503I499-V501 PolarHBondContact O-N 3.36Å; V501-G503 PolarHBondContact O-N 2.72Å
502P53.5Low64.6Low129 Ų129110.3 Ų110.384%0.83858%0.58SS**SBendtrans-66.897.3-168.726.2-35.2000110.6D500D500-P502 VanDerWaalsContact O-CD 3.29Å; D500-P502 WeakPolarHBondContact O-CD 3.49Å
503G48.4Very low61.8Low60 Ų60110.1 Ų110.162%0.61959%0.591SS**  trans117.476.9179.900000114.3V501V501-G503 PolarHBondContact O-N 2.72Å
504Q41.3Very low59.1Low145 Ų145113.3 Ų113.368%0.67861%0.612SS**  -150.592.5121.5-81.7-133.237.800110.4Q506Q504-Q506 PolarHBondContact O-N 3.15Å
505V48.2Very low56.5Low142 Ų142121.1 Ų121.186%0.86165%0.653SS**  trans-74.679.2162.3-177.70000107.5V507V505-V507 PolarHBondContact O-N 3.14Å
506Q41.5Very low54.2Low122 Ų122125.3 Ų125.357%0.5767%0.673SS**  trans-83.1103.9174.8-132.2175.390.100108.2Q504 Y508Q504-Q506 PolarHBondContact O-N 3.15Å; Q506-Y508 PolarHBondContact O-N 3.49Å
507V45.4Very low51.5Low132 Ų132122.3 Ų122.380%0.867%0.673SS**  trans-65.796.8174.4178.60000108.3V505V505-V507 PolarHBondContact O-N 3.14Å
508Y41.3Very low49.5Very low170 Ų170126.5 Ų126.567%0.66770%0.699SS**  trans-102.991.3172.1-119.6-68.1000109.9Q506 L510Q506-Y508 PolarHBondContact O-N 3.49Å; Y508-L510 HydrophobicContact CD1-CD1 4.38Å; Y508-L510 HydrophobicContact CD1-CD2 3.53Å; Y508-L510 HydrophobicContact CD1-CG 3.75Å; Y508-L510 HydrophobicContact CE1-CD2 3.87Å; Y508-L510 HydrophobicContact CG-CG 4.43Å; Y508-L510 PolarHBondContact O-N 3.27Å
509E48.4Very low47.2Very low167 Ų167133.9 Ų133.978%0.7873%0.733SS**  trans-65.797.4163.7-175.2-175.5132.300108.3
510L38.9Very low45.8Very low137 Ų137132.3 Ų132.372%0.71773%0.731SS**  trans-104.6117.3175.7-72.2179000110.7Y508Y508-L510 HydrophobicContact CD1-CD1 4.38Å; Y508-L510 HydrophobicContact CD1-CD2 3.53Å; Y508-L510 HydrophobicContact CD1-CG 3.75Å; Y508-L510 HydrophobicContact CE1-CD2 3.87Å; Y508-L510 HydrophobicContact CG-CG 4.43Å; Y508-L510 PolarHBondContact O-N 3.27Å
511Q31.7Very low44.6Very low157 Ų157133.3 Ų133.373%0.73474%0.736SS**  trans-67143.2172.7-62.7176.69.100110.5S513Q511-S513 PolarHBondContact O-N 3.09Å
512P44.6Very low44.4Very low127 Ų127135.8 Ų135.883%0.82574%0.741SS**  trans-70.6102.3-177.328.8-34.9000111.3
513S37.5Very low44Very low112 Ų112132.9 Ų132.978%0.78373%0.727SS**  trans-99.9114.4169.8-63.20000109.8Q511Q511-S513 PolarHBondContact O-N 3.09Å
514N41.4Very low44.3Very low148 Ų148136.5 Ų136.579%0.79173%0.731SS**  trans-66136.4167.9-86.7-105.3000109.4
515L43.1Very low45Very low164 Ų164135.3 Ų135.386%0.85973%0.727SS**  -163.5127.1116.2-126.281.8000112.6
516E45.7Very low45.1Very low184 Ų184135.9 Ų135.986%0.8672%0.72SS**  trans-14.6129.1154.5-167.3169.1100.200118.5
517A39.1Very low45.4Very low87 Ų87138.5 Ų138.572%0.71974%0.735SS**  trans-154.282158.400000110Q519A517-Q519 PolarHBondContact O-N 3.23Å
518D49.2Very low45.4Very low157 Ų157135.9 Ų135.984%0.8474%0.735SS**  trans-67.7124.1170.1-167.6-89.2000109.6
519Q46Very low45.5Very low159 Ų159132 Ų13274%0.74374%0.737SS**  trans-150.9123.6178-137.7172.8107.400109.3A517A517-Q519 PolarHBondContact O-N 3.23Å
520P49.7Very low45.3Very low89 Ų89131.1 Ų131.158%0.57874%0.743SS**  trans-71.5137.2-171.127.2-34.5000112.1Q522P520-Q522 PolarHBondContact O-N 3.21Å
521L50.1Low45.6Very low114 Ų114129.6 Ų129.660%0.59775%0.751SS**THydrogen-bonded Turntrans-58.3-11.7-174.2-68.3167.8000115.6A523L521-A523 PolarHBondContact O-N 3.4Å
522Q47.3Very low46.1Very low149 Ų149127 Ų12770%0.69676%0.756SS**Hα-helixtrans-63.2-40.9-174.6-65.6174.3-6.500112.9P520 I524 M525 E526P520-Q522 PolarHBondContact O-N 3.21Å; Q522-I524 PolarHBondContact O-N 3.47Å; Q522-I524 VanDerWaalsContact O-N 3.12Å; Q522-M525 PolarHBondContact O-N 3.11Å; Q522-E526 PolarHBondContact O-N 3.14Å
523A45.3Very low45.8Very low68 Ų68128.2 Ų128.256%0.56276%0.755SS**Hα-helixtrans-64.7-20.7-172.500000114.7L521L521-A523 PolarHBondContact O-N 3.4Å
524I54.2Low46Very low137 Ų137132.6 Ų132.670%0.70376%0.76SS**Hα-helixtrans-89.1-21.5177.4-61.1177.9000111.2Q522Q522-I524 PolarHBondContact O-N 3.47Å; Q522-I524 VanDerWaalsContact O-N 3.12Å
525M56.3Low45.6Very low120 Ų120129 Ų12959%0.59176%0.759SS**Hα-helixtrans-89-18.5-178-61.5-178.967.100113.4Q522Q522-M525 PolarHBondContact O-N 3.11Å
526E51Low45.7Very low153 Ų153130.9 Ų130.972%0.71576%0.76SS**G310 helixtrans-78.7-21.7-169-161.5170.7174.700114.8Q522 G528Q522-E526 PolarHBondContact O-N 3.14Å; E526-G528 PolarHBondContact O-N 3.41Å
527M47.4Very low45.1Very low178 Ų178131.7 Ų131.788%0.87776%0.761SS**G310 helixtrans-76.414.8-176.8-69.7-161.7-71.800115.5
528G44.8Very low44.9Very low77 Ų77134.7 Ų134.779%0.79477%0.765SS**G310 helixtrans-94.7-6.7179.500000116.5E526E526-G528 PolarHBondContact O-N 3.41Å
529A43.5Very low44.1Very low87 Ų87132.4 Ų132.472%0.71977%0.767SS**  trans-120.626.1-151.100000118
530V43.8Very low43.3Very low149 Ų149127.8 Ų127.890%0.90376%0.763SS**  trans-135.672.8177.5-166.40000113.2
531A44.9Very low42.4Very low106 Ų106131.9 Ų131.988%0.87678%0.78SS**SBendtrans-153.616.8173.700000116.8
532A42.8Very low41.6Very low103 Ų103129.5 Ų129.585%0.85178%0.783SS**  trans-15595.2179.400000115.5
533D37.8Very low40.9Very low151 Ų151131.6 Ų131.681%0.80779%0.793SS**  -175138.2122.7-177.1-117.5000112.2
534K42.9Very low40.6Very low204 Ų204135.8 Ų135.889%0.88781%0.805SS**  trans146.8130.7159.9-90171-179.6173.10109.1
535G32.5Very low40.4Very low74 Ų74134.7 Ų134.776%0.76381%0.808SS**  cis-177.4139.4-7.700000109.7
536K44.8Very low39.2Very low203 Ų203137.1 Ų137.188%0.88382%0.817SS**  trans-100.6119-165-179.3174.6-178171.80113.3
537K34.5Very low38.3Very low200 Ų200134.9 Ų134.987%0.8781%0.814SS**  trans-166.4116.1157.5-113.8163.7-173.6177.80116.2
538N33.2Very low37.3Very low151 Ų151134.2 Ų134.281%0.80781%0.809SS**  trans20154.8145.3-65.619.2000125
539A32.8Very low36.6Very low108 Ų108135.2 Ų135.289%0.89380%0.799SS**  trans77.2147.5165.200000116.2
540G29.5Very low35.9Very low63 Ų63139.5 Ų139.565%0.64981%0.805SS**  cis156.3138.6-600000111.6
541N30.2Very low35.4Very low174 Ų174140.9 Ų140.993%0.9380%0.801SS**  trans63.1161.6-164.3-55.8-9.7000112.6
542G33.3Very low35.7Very low64 Ų64140.5 Ų140.566%0.6679%0.79SS**  cis163.5167.5-6.900000111.1
543E32.6Very low35.1Very low194 Ų194144.2 Ų144.291%0.90779%0.79SS**  trans70.8109.4165.5-61.3169.99100118.8
544D39Very low35.1Very low155 Ų155140.8 Ų140.883%0.82978%0.782SS**  trans-63.1166.3148.6-56.3-99.2000110.9
545P51.8Low34.8Very low115 Ų115137.5 Ų137.575%0.74778%0.779SS**  -147.4161100.936-19.5000116.7
546H31.1Very low35Very low170 Ų170138.6 Ų138.679%0.78778%0.781SS**  trans9.8152.4134.4-79.3-104.8000119.4
547T30.4Very low34.4Very low106 Ų106133.6 Ų133.665%0.6578%0.778SS**  cis-171.8160.734.9-11.30000113
548E26.7Very low34.4Very low165 Ų165128.5 Ų128.577%0.77177%0.773SS**  80.6129.5125.5-158160.8118.900125.8
549T29.6Very low34.4Very low97 Ų97127.4 Ų127.460%0.59577%0.772SS**  trans70.7111.8140-68.40000125.4
550Q30.4Very low34.4Very low178 Ų178127.8 Ų127.883%0.83277%0.768SS**  55.3147.4124.2-50.1173.442.500124.8
551Q32.5Very low34.5Very low177 Ų177132 Ų13283%0.82778%0.776SS**  trans-43.3173.1148.5-102.5-173.1-22.200115.2
552P52.2Low35.8Very low99 Ų99129.2 Ų129.264%0.64377%0.767SS**  cis-146.3179.734.242.6-21.9000119.1
553E29.4Very low35.7Very low181 Ų181131 Ų13185%0.84677%0.769SS**  trans49.2163.6146.5-76-175.97100123.6
554A38.6Very low35.8Very low78 Ų78127.4 Ų127.465%0.64577%0.766SS**  cis-177138.4-41.200000111
555T35.3Very low35.6Very low136 Ų136126.1 Ų126.183%0.83476%0.763SS**  trans-161.6109163.7-38.60000107
556A36.2Very low35Very low97 Ų97127.5 Ų127.580%0.80277%0.77SS**  56130.979.700000113.4
557A33.7Very low35.3Very low98 Ų98125.7 Ų125.781%0.8177%0.766SS**  cis-143.9-164.13.800000108.7
558A34.2Very low35.9Very low93 Ų93126 Ų12677%0.76977%0.768SS**  cis-151-132.11100000111.5
559T33Very low37.3Very low127 Ų127123.9 Ų123.978%0.77977%0.768SS**  trans-141.2155.9-169.846.40000114.2
560S32.2Very low37.5Very low116 Ų116122.7 Ų122.781%0.81178%0.775SS**  trans-163.8142.1152.4-81.30000110.6
561N32.9Very low37.8Very low153 Ų153122.3 Ų122.382%0.81878%0.779SS**  trans-112.3-153179.7-60.6-46.3000110.6
562P56Low39.2Very low114 Ų114118.9 Ų118.974%0.7477%0.773SS**  -131.7-167.7-121.237.7-14.4000116
563S31.3Very low38.8Very low102 Ų102120 Ų12071%0.71378%0.778SS**  trans93.7125.6150.9-57.50000120.5
564S34.3Very low39.6Very low119 Ų119115.4 Ų115.483%0.83277%0.771SS**  trans-16993151.8-74.10000107
565T35.4Very low40.9Very low127 Ų127121.4 Ų121.478%0.77980%0.803SS**  79.4102.667.5-550000113.3
566T40.5Very low41.2Very low145 Ų145120.7 Ų120.789%0.8980%0.801SS**  trans-146.9150.8161.8-45.70000109
567D37.2Very low41.4Very low131 Ų131121.9 Ų121.970%0.70180%0.801SS**  trans-82.8142.9-163.9-96-79.5000118
568T43.3Very low41.8Very low113 Ų113123.2 Ų123.269%0.69380%0.801SS**  32.1143.7105-380000118.6
569P54.6Low42.3Very low120 Ų120125 Ų12578%0.77980%0.803SS**  cis-133.1166.412.419.65.9000118
570G34.4Very low42.9Very low72 Ų72124.9 Ų124.974%0.74280%0.804SS**  110.4116.3114.500000121.3
571N35.6Very low43.6Very low170 Ų170125.5 Ų125.591%0.90980%0.804SS**  trans69.8156159.8-93.76.2000120.1
572P62.7Low44.3Very low106 Ų106123.5 Ų123.569%0.68880%0.803SS**  trans-135-163-150.938.7-16.5000115
573T44.7Very low43.4Very low122 Ų122124.2 Ų124.275%0.74881%0.807SS**  trans81.886.5159.5-47.60000116.8
574A45.9Very low44.5Very low85 Ų85126.1 Ų126.170%0.70282%0.815SS**  38.1155.8101.100000119.8
575P64.9Low45.4Very low203 Ų203126.7 Ų126.7100%1.31881%0.814SS**  cis-99.505.137.8-32.3000115

Retrieved 575 of 575 residues in 512.2 ms (Link to these results)