A0A5K4F0S9_SCHMA Loading...

Rna-binding protein related

AlphaFold DB , UniProt , Accession A0A5K4F0S9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 888 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.6Very low43Very low235 Ų235136 Ų136100%1.15884%0.841SS**  0142.20-69.4148.270.100107.5
2S38.7Very low43.1Very low125 Ų125134.4 Ų134.487%0.87484%0.839SS**  trans27.9121.1163.155.10000119.2
3G41.2Very low43.1Very low70 Ų70131.9 Ų131.972%0.72282%0.816SS**  cis-176.3-167.95.800000108.9
4S49.9Very low43.6Very low124 Ų124130.1 Ų130.187%0.86781%0.811SS**  cis-152.4160.45.7-65.90000110.1
5H39.4Very low43.8Very low192 Ų192135.9 Ų135.989%0.88981%0.812SS**  trans-101.4137.3179.3-72.4-122.4000113
6S43Very low44Very low109 Ų109138.3 Ų138.376%0.76281%0.808SS**  trans-177.5131144.143.40000107.8
7S39.8Very low44.5Very low109 Ų109143.7 Ų143.776%0.76281%0.812SS**  cis61.2118.329.681.50000114.5
8S38.9Very low44.6Very low99 Ų99142.2 Ų142.269%0.69281%0.809SS**  cis-161.3176.1-546.10000108.8
9D48Very low44.5Very low151 Ų151146.8 Ų146.881%0.80781%0.812SS**  trans152.3155.8133.1-73.9-0.1000113
10D40.4Very low44.6Very low158 Ų158148.8 Ų148.885%0.84582%0.815SS**  trans-67.8131.2-173.2-89.5-97.9000114.7
11S51.7Low44.9Very low124 Ų124150 Ų15087%0.86781%0.812SS**  trans-162.7130.8133.2-86.50000112.3
12S45Very low44.9Very low117 Ų117146.6 Ų146.682%0.81880%0.799SS**  trans-85.1122.5-176.754.80000113.3
13D42.2Very low45.2Very low102 Ų102148.3 Ų148.355%0.54580%0.795SS.*  trans-13269154.5-174.114.8000111R15D13-R15 VanDerWaalsContact C-N 3.26Å; D13-R15 PolarHBondContact O-N 3.49Å; D13-R15 IonicContact OD1-NE 2.68Å; D13-R15 IonicContact OD2-CZ 3.13Å; D13-R15 IonicContact OD2-NE 3.55Å; D13-R15 PolarHBondContact OD2-NE 3.42Å; D13-R15 IonicContact OD2-NH2 2.66Å; D13-R15 PolarHBondContact OD2-NH2 2.88Å
14S50.4Low45.7Very low107 Ų107151.1 Ų151.175%0.74879%0.793SS**  trans-70.387.9162.3-76.10000108.8K16S14-K16 WeakPolarHBondContact O-CB 3.24Å; S14-K16 PolarHBondContact O-N 2.86Å
15R47.5Very low45.5Very low216 Ų216151.8 Ų151.882%0.81579%0.794SS**  trans-71.951.6176.3-126.6177.2-70.3165.9-2113.2D13 R17D13-R15 VanDerWaalsContact C-N 3.26Å; D13-R15 PolarHBondContact O-N 3.49Å; D13-R15 IonicContact OD1-NE 2.68Å; D13-R15 IonicContact OD2-CZ 3.13Å; D13-R15 IonicContact OD2-NE 3.55Å; D13-R15 PolarHBondContact OD2-NE 3.42Å; D13-R15 IonicContact OD2-NH2 2.66Å; D13-R15 PolarHBondContact OD2-NH2 2.88Å; R15-R17 PolarHBondContact O-N 3.42Å
16K46.6Very low45.5Very low174 Ų174149.6 Ų149.676%0.75779%0.789SS**PPolyproline II helixtrans-55.8123.9167.4-167.1173.2-168.9168.90107.2S14S14-K16 WeakPolarHBondContact O-CB 3.24Å; S14-K16 PolarHBondContact O-N 2.86Å
17R51.6Low45.5Very low231 Ų231150.8 Ų150.887%0.87279%0.792SS**PPolyproline II helixtrans-48.8129.8171.3-71-179179.9163.1-0.1108R15 R19R15-R17 PolarHBondContact O-N 3.42Å; R17-R19 PolarHBondContact O-N 3.16Å
18P46.9Very low45.6Very low117 Ų117149.7 Ų149.776%0.7679%0.785SS**PPolyproline II helixtrans-51.5129.3178-2835.4000109.8E20P18-E20 VanDerWaalsContact C-N 3.28Å; P18-E20 PolarHBondContact O-N 2.98Å; P18-E20 VanDerWaalsContact O-N 3.08Å
19R42.5Very low45.8Very low230 Ų230151.2 Ų151.287%0.86879%0.792SS**  trans-70.3100.6155.9-87.1-176.4168.2150.1-3.4105.1R17 K21R17-R19 PolarHBondContact O-N 3.16Å; R19-K21 PolarHBondContact O-N 2.94Å; R19-K21 VanDerWaalsContact O-N 3.16Å
20E47.8Very low45Very low186 Ų186152.6 Ų152.687%0.86979%0.791SS**  trans-55.1119.1166.7-69.6173.9151.100106.8P18P18-E20 VanDerWaalsContact C-N 3.28Å; P18-E20 PolarHBondContact O-N 2.98Å; P18-E20 VanDerWaalsContact O-N 3.08Å
21K49.7Very low45.1Very low173 Ų173155.8 Ų155.875%0.75279%0.791SS**  trans-75.9137.2178.1-61175.3-177.8176.30107.6R19 M23R19-K21 PolarHBondContact O-N 2.94Å; R19-K21 VanDerWaalsContact O-N 3.16Å; K21-M23 WeakPolarHBondContact O-CG 3.14Å; K21-M23 PolarHBondContact O-N 3.47Å
22D42.2Very low44.3Very low164 Ų164155.6 Ų155.688%0.87779%0.787SS**  trans20.576.6141.3-44.9-69.1000114.5
23M45.5Very low43.6Very low161 Ų161156 Ų15679%0.79378%0.78SS**  trans-126.4142.9168.5-77.5-124.766.600108.3K21K21-M23 WeakPolarHBondContact O-CG 3.14Å; K21-M23 PolarHBondContact O-N 3.47Å
24D50.1Low43.3Very low130 Ų130153.8 Ų153.870%0.69577%0.772SS**  trans-66.7146.3-156.8-54.1-94.1000114.2D26D24-D26 PolarHBondContact O-N 3.38Å
25P46.1Very low43.5Very low137 Ų137156.5 Ų156.589%0.8977%0.773SS**THydrogen-bonded Turntrans-77.237.6-17334.6-38.6000114
26D39.4Very low44.5Very low146 Ų146151.6 Ų151.678%0.78176%0.763SS**THydrogen-bonded Turntrans-137.818.5-169.8-128.3-20.3000115.6D24D24-D26 PolarHBondContact O-N 3.38Å
27T44Very low46.2Very low134 Ų134147.5 Ų147.582%0.82275%0.749SS**  trans-131.250.5168.4-370000113.6
28S42Very low48Very low87 Ų87137.1 Ų137.161%0.60871%0.711SS**  trans-63.9137154.473.70000108.5K30S28-K30 PolarHBondContact O-N 2.81Å
29P42.9Very low50.1Low130 Ų130133.7 Ų133.784%0.84469%0.685SS**  trans-70.183.6164.530.1-32.6000107.4R31P29-R31 PolarHBondContact O-N 3.49Å
30K31.8Very low52.5Low180 Ų180122.8 Ų122.878%0.78364%0.644SS**  trans-47.1118.4162-84.3178.8176.8168.60105.6S28S28-K30 PolarHBondContact O-N 2.81Å
31R40.6Very low54.6Low226 Ų226114.5 Ų114.585%0.85361%0.605SS**  trans-45.6135.7158.9-63.8175.9179.5172.4-0.7105.8P29 N33P29-R31 PolarHBondContact O-N 3.49Å; R31-N33 PolarHBondContact O-N 3.45Å
32P36.6Very low56.6Low120 Ų120106.3 Ų106.378%0.77957%0.569SS**  trans-62.991.717625.1-32.7000108.4C34P32-C34 PolarHBondContact O-N 2.89Å
33N30.4Very low59Low124 Ų12498.7 Ų98.766%0.66353%0.529SS*.  trans-76.661.6170.5-16977.1000106.8R31 E35R31-N33 PolarHBondContact O-N 3.45Å; N33-E35 VanDerWaalsContact ND2-CD 3.32Å; N33-E35 VanDerWaalsContact ND2-CG 3.29Å; N33-E35 WeakPolarHBondContact ND2-CG 3.48Å; N33-E35 PolarHBondContact ND2-OE1 2.92Å; N33-E35 PolarHBondContact O-N 3.22Å
34C34.7Very low61.2Low56 Ų5691 Ų9138%0.37849%0.491SS..  trans-75102.6167.7-173.80000104.7P32 D36 N37P32-C34 PolarHBondContact O-N 2.89Å; C34-D36 PolarHBondContact O-N 3.43Å; C34-D36 PolarHBondContact SG-OD2 3.18Å; C34-D36 VanDerWaalsContact SG-OD2 3.34Å; C34-N37 PolarHBondContact O-ND2 3.31Å
35E54.2Low63.2Low164 Ų16486.7 Ų86.777%0.76647%0.47SS*.SBendtrans-73.5-6-176.1-59.2-174.4142.800110.7N33 N37N33-E35 VanDerWaalsContact ND2-CD 3.32Å; N33-E35 VanDerWaalsContact ND2-CG 3.29Å; N33-E35 WeakPolarHBondContact ND2-CG 3.48Å; N33-E35 PolarHBondContact ND2-OE1 2.92Å; N33-E35 PolarHBondContact O-N 3.22Å; E35-N37 VanDerWaalsContact C-N 3.33Å; E35-N37 PolarHBondContact O-N 3.36Å
36D69Low65.1Low114 Ų11482.5 Ų82.561%0.6144%0.444SS*.  trans-88.427.8-179.3-35-84.9000114C34 V38C34-D36 PolarHBondContact O-N 3.43Å; C34-D36 PolarHBondContact SG-OD2 3.18Å; C34-D36 VanDerWaalsContact SG-OD2 3.34Å; D36-V38 PolarHBondContact O-N 3.03Å; D36-V38 VanDerWaalsContact O-N 3.12Å
37N83.5Confident67.4Low88 Ų8880.7 Ų80.747%0.47143%0.433SS..  trans-77.593.7178.8-91.9-85.5000111.7C34 E35 G92C34-N37 PolarHBondContact O-ND2 3.31Å; E35-N37 VanDerWaalsContact C-N 3.33Å; E35-N37 PolarHBondContact O-N 3.36Å; N37-G92 CarbonylContact C-O 3.53Å
38V89.2Confident69.5Low12 Ų1274.5 Ų74.57%0.07340%0.395CS..EExtended strand (participates in β ladder)trans-79144.2179.5-174.80000110.8D36 I91 G92 F94 V97 L196 I199 A200D36-V38 PolarHBondContact O-N 3.03Å; D36-V38 VanDerWaalsContact O-N 3.12Å; V38-I91 WeakPolarHBondContact O-CA 3.46Å; V38-G92 PolarHBondContact N-O 3.5Å; V38-G92 PolarHBondContact O-N 3.28Å; V38-G92 VanDerWaalsContact O-N 3.12Å; V38-F94 HydrophobicContact CG2-CB 4.28Å; V38-F94 HydrophobicContact CG2-CD2 4.42Å; V38-V97 HydrophobicContact CB-CG2 4.46Å; V38-L196 HydrophobicContact CG1-CD2 4.16Å; V38-I199 HydrophobicContact CG1-CG2 3.99Å; V38-A200 HydrophobicContact CG2-CB 3.8Å
39Q90Very high71.9Confident46 Ų4670.3 Ų70.322%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-118.6125.7173.5-56-16926.500110.1I90 I91 I199Q39-I90 WeakPolarHBondContact CA-O 3.47Å; Q39-I91 HydrophobicContact CG-CD1 4.46Å; Q39-I91 HydrophobicContact CG-CG1 4.04Å; Q39-I91 HydrophobicContact CG-CG2 4.18Å; Q39-I199 WeakPolarHBondContact O-CG2 3.36Å
40L92.2Very high74.2Confident1 Ų166.3 Ų66.31%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-120.9134.3176.3178.865.5000109.9I42 I90 V97 H101 I134 L196 I199L40-I42 HydrophobicContact CD2-CD1 3.9Å; L40-I42 HydrophobicContact CD2-CG1 4.03Å; L40-I42 HydrophobicContact CG-CD1 4.39Å; L40-I42 HydrophobicContact CG-CG1 4Å; L40-I90 HydrophobicContact CB-CB 4.47Å; L40-I90 HydrophobicContact CD2-CD1 4.17Å; L40-I90 PolarHBondContact N-O 2.84Å; L40-I90 PolarHBondContact O-N 3.27Å; L40-V97 HydrophobicContact CB-CG1 3.6Å; L40-V97 HydrophobicContact CD2-CG1 3.78Å; L40-V97 HydrophobicContact CG-CG1 4.32Å; L40-H101 HydrophobicContact CD2-CB 4.21Å; L40-I134 HydrophobicContact CD1-CD1 4.32Å; L40-I134 HydrophobicContact CD1-CG1 4.36Å; L40-I134 HydrophobicContact CD1-CG2 3.67Å; L40-L196 HydrophobicContact CB-CD2 4.19Å; L40-L196 HydrophobicContact CD1-CD2 4.04Å; L40-L196 HydrophobicContact CD2-CD1 4.34Å; L40-L196 HydrophobicContact CD2-CD2 4.15Å; L40-L196 HydrophobicContact CG-CD2 4.35Å; L40-I199 HydrophobicContact CD1-CD1 3.91Å
41K92Very high77Confident11 Ų1158.2 Ų58.25%0.04832%0.315CS..EExtended strand (participates in β ladder)trans-113134.2170.9-72.9-173.6-175.6-174.20111.3C88 L89 I134 L135 E176 C208 N210K41-C88 CarbonylContact C-O 3.43Å; K41-C88 VanDerWaalsContact CA-O 3.29Å; K41-C88 WeakPolarHBondContact CA-O 2.8Å; K41-L89 HydrophobicContact CG-CD1 3.65Å; K41-I134 CarbonylContact O-C 3.58Å; K41-I134 VanDerWaalsContact O-CA 3.26Å; K41-I134 WeakPolarHBondContact O-CA 3.19Å; K41-I134 WeakPolarHBondContact O-CG2 3.36Å; K41-L135 HydrophobicContact CB-CB 3.76Å; K41-L135 HydrophobicContact CB-CD1 4.48Å; K41-L135 HydrophobicContact CB-CG 4.42Å; K41-L135 HydrophobicContact CD-CB 4.07Å; K41-L135 HydrophobicContact CD-CD1 4.2Å; K41-L135 PolarHBondContact O-N 3.36Å; K41-E176 VanDerWaalsContact CD-OE2 3.26Å; K41-E176 WeakPolarHBondContact CD-OE2 3.46Å; K41-E176 IonicContact NZ-OE1 3.88Å; K41-E176 PolarHBondContact NZ-OE1 2.84Å; K41-E176 IonicContact NZ-OE2 3.54Å; K41-E176 PolarHBondContact NZ-OE2 2.72Å; K41-C208 WeakPolarHBondContact CE-O 3.43Å; K41-C208 PolarHBondContact NZ-O 3.42Å; K41-N210 WeakPolarHBondContact CE-O 3.29Å; K41-N210 PolarHBondContact NZ-O 2.89Å
42I93.3Very high79.5Confident1 Ų147.6 Ų47.61%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-129.7138-179.4-49.5177.6000109L40 V44 C88 I90 I104 M105 V132 K133L40-I42 HydrophobicContact CD2-CD1 3.9Å; L40-I42 HydrophobicContact CD2-CG1 4.03Å; L40-I42 HydrophobicContact CG-CD1 4.39Å; L40-I42 HydrophobicContact CG-CG1 4Å; I42-V44 HydrophobicContact CG2-CG2 4.2Å; I42-C88 HydrophobicContact CB-CB 4.44Å; I42-C88 PolarHBondContact N-O 2.63Å; I42-C88 PolarHBondContact O-N 3.47Å; I42-I90 HydrophobicContact CD1-CD1 3.63Å; I42-I90 HydrophobicContact CG1-CD1 4.34Å; I42-I104 HydrophobicContact CD1-CD1 4.21Å; I42-M105 HydrophobicContact CD1-CE 3.82Å; I42-M105 HydrophobicContact CG2-CE 3.88Å; I42-V132 HydrophobicContact CG2-CG1 4.5Å; I42-K133 CarbonylContact C-O 3.53Å; I42-K133 VanDerWaalsContact CA-O 3.29Å; I42-K133 WeakPolarHBondContact CA-O 3.38Å; I42-K133 WeakPolarHBondContact CG2-O 3.42Å
43L92.4Very high82.2Confident5 Ų544 Ų443%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-85.7121.7165.4-58.4-175.8000109.3Y80 T83 E85 V87 K133 L135L43-Y80 HydrophobicContact CD1-CD1 4.05Å; L43-Y80 HydrophobicContact CD1-CG 4.14Å; L43-Y80 VanDerWaalsContact CD2-CB 3.49Å; L43-Y80 HydrophobicContact CD2-CD2 4.26Å; L43-Y80 HydrophobicContact CD2-CG 3.89Å; L43-T83 HydrophobicContact CD1-CG2 4.29Å; L43-E85 HydrophobicContact CB-CB 3.89Å; L43-V87 HydrophobicContact CD2-CG2 3.84Å; L43-K133 HydrophobicContact CB-CB 3.8Å; L43-K133 HydrophobicContact CB-CD 4.38Å; L43-K133 HydrophobicContact CD1-CB 4.21Å; L43-K133 HydrophobicContact CD1-CD 4.19Å; L43-K133 HydrophobicContact CG-CB 4.19Å; L43-K133 PolarHBondContact N-O 3.19Å; L43-L135 HydrophobicContact CD1-CD2 4.2Å; L43-L135 HydrophobicContact CD2-CD1 3.9Å; L43-L135 HydrophobicContact CD2-CD2 4.29Å; L43-L135 HydrophobicContact CD2-CG 4.09Å; L43-L135 HydrophobicContact CG-CD2 4.2Å; L43-L135 HydrophobicContact CG-CG 4.25Å
44V91.9Very high85.1Confident0 Ų039.2 Ų39.20%023%0.229CC..EExtended strand (participates in β ladder)trans-114.6124.2-177.9-178.40000108.7I42 A48 A49 V52 R86 C88 I104 I108I42-V44 HydrophobicContact CG2-CG2 4.2Å; V44-A48 HydrophobicContact CG1-CB 4.36Å; V44-A49 HydrophobicContact CG1-CB 4.05Å; V44-V52 HydrophobicContact CG1-CG2 4.41Å; V44-R86 PolarHBondContact N-O 3.29Å; V44-R86 PolarHBondContact O-N 2.93Å; V44-C88 HydrophobicContact CG2-CB 3.77Å; V44-I104 HydrophobicContact CG2-CG2 3.97Å; V44-I108 HydrophobicContact CG1-CD1 4.41Å; V44-I108 HydrophobicContact CG1-CG1 4.49Å
45P90.6Very high87.9Confident39 Ų3945.5 Ų45.525%0.25325%0.25SC..EExtended strand (participates in β ladder)trans-64.3140.5178.425.5-32.2000110.7I47 A48 A49 E85P45-I47 PolarHBondContact O-N 3.06Å; P45-A48 HydrophobicContact CG-CB 3.96Å; P45-A48 PolarHBondContact O-N 3.28Å; P45-A49 PolarHBondContact O-N 3.49Å; P45-E85 HydrophobicContact CB-CG 4.48Å
46S87.3Confident89.6Confident48 Ų4844.1 Ų44.134%0.33626%0.258SS..Hα-helixtrans-56.5-29.1-170.9-63.20000114.5F79 T84S46-F79 WeakPolarHBondContact OG-CE1 3.41Å; S46-T84 PolarHBondContact OG-O 3.27Å
47I87.1Confident90.7Very high109 Ų10940 Ų4056%0.55924%0.242SC*.Hα-helixtrans-69.2-44.6176.6-63.4167.3000111.1P45 D113P45-I47 PolarHBondContact O-N 3.06Å; I47-D113 WeakPolarHBondContact CD1-OD1 3.19Å
48A88.9Confident91.3Very high3 Ų340.8 Ų40.83%0.02524%0.243CC..Hα-helixtrans-74.4-29.8174.500000112.9V44 P45 G50 A51 V52 I108V44-A48 HydrophobicContact CG1-CB 4.36Å; P45-A48 HydrophobicContact CG-CB 3.96Å; P45-A48 PolarHBondContact O-N 3.28Å; A48-G50 PolarHBondContact O-N 3.23Å; A48-G50 VanDerWaalsContact O-N 3.15Å; A48-A51 WeakPolarHBondContact O-CA 3.49Å; A48-A51 VanDerWaalsContact O-CB 3.28Å; A48-A51 WeakPolarHBondContact O-CB 3.43Å; A48-A51 PolarHBondContact O-N 3.17Å; A48-V52 PolarHBondContact O-N 2.95Å; A48-I108 HydrophobicContact CB-CB 4.3Å; A48-I108 HydrophobicContact CB-CG1 3.69Å
49A90.9Very high91.5Very high0 Ų041.3 Ų41.30%025%0.249CC..Hα-helixtrans-57-33.5-178.900000112.9V44 P45 A51 V52 I53V44-A49 HydrophobicContact CG1-CB 4.05Å; P45-A49 PolarHBondContact O-N 3.49Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-V52 PolarHBondContact O-N 3.42Å; A49-I53 WeakPolarHBondContact O-CD1 3.38Å; A49-I53 VanDerWaalsContact O-CG1 3.26Å; A49-I53 WeakPolarHBondContact O-CG1 3.45Å; A49-I53 PolarHBondContact O-N 3.49Å
50G91.2Very high91.7Very high46 Ų4640 Ų4047%0.47424%0.243SC..Hα-helixtrans-67.6-29.1172.600000114.1A48 G54A48-G50 PolarHBondContact O-N 3.23Å; A48-G50 VanDerWaalsContact O-N 3.15Å; G50-G54 PolarHBondContact O-N 3.25Å; G50-G54 VanDerWaalsContact O-N 3.13Å
51A91.3Very high91.9Very high10 Ų1041.8 Ų41.88%0.08326%0.262CS..Hα-helixtrans-74.7-41.7173.800000112A48 A49 G54 R107 K111A48-A51 WeakPolarHBondContact O-CA 3.49Å; A48-A51 VanDerWaalsContact O-CB 3.28Å; A48-A51 WeakPolarHBondContact O-CB 3.43Å; A48-A51 PolarHBondContact O-N 3.17Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A51-G54 PolarHBondContact O-N 3.26Å; A51-R107 HydrophobicContact CB-CB 4.33Å; A51-K111 HydrophobicContact CB-CD 3.89Å
52V93.1Very high92Very high2 Ų248 Ų481%0.01229%0.285CS..Hα-helixtrans-63-42.2176.9174.50000111.7V44 A48 A49 I73 I104 R107V44-V52 HydrophobicContact CG1-CG2 4.41Å; A48-V52 PolarHBondContact O-N 2.95Å; A49-V52 PolarHBondContact O-N 3.42Å; V52-I73 HydrophobicContact CG1-CD1 4.01Å; V52-I104 HydrophobicContact CG1-CG1 3.9Å; V52-I104 HydrophobicContact CG2-CG1 4.36Å; V52-I104 HydrophobicContact CG2-CG2 4.29Å; V52-R107 HydrophobicContact CG2-CB 3.75Å; V52-R107 HydrophobicContact CG2-CG 4.43Å
53I93.2Very high92.1Very high46 Ų4649.1 Ų49.124%0.23629%0.29CS..Hα-helixtrans-71-43177.7-66.1166.7000110.8A49 G57 A59 I60 I73A49-I53 WeakPolarHBondContact O-CD1 3.38Å; A49-I53 VanDerWaalsContact O-CG1 3.26Å; A49-I53 WeakPolarHBondContact O-CG1 3.45Å; A49-I53 PolarHBondContact O-N 3.49Å; I53-G57 CarbonylContact O-C 3.57Å; I53-G57 WeakPolarHBondContact O-CA 3.47Å; I53-A59 PolarHBondContact O-N 3.14Å; I53-I60 HydrophobicContact CB-CG2 4.43Å; I53-I60 HydrophobicContact CG2-CG2 4.15Å; I53-I60 WeakPolarHBondContact O-CG2 3.31Å; I53-I60 PolarHBondContact O-N 3.18Å; I53-I73 HydrophobicContact CD1-CD1 4.16Å; I53-I73 HydrophobicContact CG1-CD1 3.74Å
54G91.8Very high92.2Very high22 Ų2251.2 Ų51.223%0.22730%0.3CS..  trans73.9176.3-174.100000113.6G50 A51 S56 G57G50-G54 PolarHBondContact O-N 3.25Å; G50-G54 VanDerWaalsContact O-N 3.13Å; A51-G54 PolarHBondContact O-N 3.26Å; G54-S56 PolarHBondContact O-N 3.15Å; G54-G57 PolarHBondContact O-N 2.89Å
55K92.3Very high92.3Very high188 Ų18859 Ų5982%0.81733%0.334SS*.G310 helixtrans-62.1130.7178.9-61.8178.3-176.91780109.3G57 E58K55-G57 PolarHBondContact O-N 3.5Å; K55-E58 VanDerWaalsContact O-CB 3.26Å; K55-E58 WeakPolarHBondContact O-CB 3.2Å; K55-E58 PolarHBondContact O-N 3.44Å
56S91.1Very high92.6Very high136 Ų13662.5 Ų62.595%0.95135%0.35SS*.G310 helixtrans53.619.7-178.3-51.60000115.9G54 E58G54-S56 PolarHBondContact O-N 3.15Å; S56-E58 PolarHBondContact O-N 3.31Å
57G92.2Very high92.9Very high26 Ų2661 Ų6127%0.26834%0.34SS..G310 helixtrans72.411.2-173.200000114.6I53 G54 K55 A59 I60 G61I53-G57 CarbonylContact O-C 3.57Å; I53-G57 WeakPolarHBondContact O-CA 3.47Å; G54-G57 PolarHBondContact O-N 2.89Å; K55-G57 PolarHBondContact O-N 3.5Å; G57-A59 PolarHBondContact O-N 3.21Å; G57-I60 VanDerWaalsContact O-CG2 3.28Å; G57-I60 WeakPolarHBondContact O-CG2 3.5Å; G57-G61 PolarHBondContact O-N 2.89Å
58E94.7Very high93.2Very high105 Ų10562.6 Ų62.649%0.49135%0.349SS..Hα-helixtrans-63.3-42.2-175.5-172.3-174.3-163.600112.2K55 S56 G61 R62K55-E58 VanDerWaalsContact O-CB 3.26Å; K55-E58 WeakPolarHBondContact O-CB 3.2Å; K55-E58 PolarHBondContact O-N 3.44Å; S56-E58 PolarHBondContact O-N 3.31Å; E58-G61 PolarHBondContact O-N 2.79Å; E58-R62 VanDerWaalsContact CD-NH2 3.25Å; E58-R62 VanDerWaalsContact O-CG 3.32Å; E58-R62 WeakPolarHBondContact O-CG 3.19Å; E58-R62 PolarHBondContact O-N 3.4Å; E58-R62 IonicContact OE1-CZ 2.76Å; E58-R62 IonicContact OE1-NE 2.75Å; E58-R62 PolarHBondContact OE1-NE 2.74Å; E58-R62 IonicContact OE1-NH2 3.86Å; E58-R62 PolarHBondContact OE1-NH2 2.63Å; E58-R62 IonicContact OE2-NH2 2.91Å
59A94.3Very high93.4Very high23 Ų2363 Ų6319%0.1935%0.351CS..Hα-helixtrans-69.3-43.3-174.800000111.9I53 G57 G61 R62 I63 Y103I53-A59 PolarHBondContact O-N 3.14Å; G57-A59 PolarHBondContact O-N 3.21Å; A59-G61 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 3.18Å; A59-R62 PolarHBondContact O-N 2.83Å; A59-I63 PolarHBondContact O-N 3.24Å; A59-I63 VanDerWaalsContact O-N 3.11Å; A59-Y103 WeakPolarHBondContact CB-OH 3.26Å
60I94.3Very high93.5Very high20 Ų2069.9 Ų69.910%0.10338%0.381CS..Hα-helixtrans-70.4-25.6173.1-168162.1000112.8I53 G57 Q64 V71 I73I53-I60 HydrophobicContact CB-CG2 4.43Å; I53-I60 HydrophobicContact CG2-CG2 4.15Å; I53-I60 WeakPolarHBondContact O-CG2 3.31Å; I53-I60 PolarHBondContact O-N 3.18Å; G57-I60 VanDerWaalsContact O-CG2 3.28Å; G57-I60 WeakPolarHBondContact O-CG2 3.5Å; I60-Q64 WeakPolarHBondContact O-CB 3.35Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.34Å; I60-Q64 PolarHBondContact O-N 2.96Å; I60-Q64 PolarHBondContact O-NE2 2.81Å; I60-V71 HydrophobicContact CD1-CB 4.24Å; I60-V71 HydrophobicContact CD1-CG1 3.8Å; I60-V71 HydrophobicContact CG1-CB 4.3Å; I60-V71 HydrophobicContact CG1-CG1 4.31Å; I60-I73 HydrophobicContact CD1-CD1 3.7Å; I60-I73 HydrophobicContact CD1-CG1 4.19Å
61G95.1Very high93.6Very high38 Ų3868.2 Ų68.239%0.39236%0.362SS..Hα-helixtrans-71-41.3171.600000112.9G57 E58 A59 K65G57-G61 PolarHBondContact O-N 2.89Å; E58-G61 PolarHBondContact O-N 2.79Å; A59-G61 VanDerWaalsContact C-N 3.3Å; A59-G61 PolarHBondContact O-N 3.18Å; G61-K65 PolarHBondContact O-N 3.02Å
62R95.5Very high93.7Very high142 Ų14273.5 Ų73.554%0.53638%0.383SS..Hα-helixtrans-61-58.4173.6-70.6171.4-174.8-161.95.7110.8E58 A59 Q64 K65 D66E58-R62 VanDerWaalsContact CD-NH2 3.25Å; E58-R62 VanDerWaalsContact O-CG 3.32Å; E58-R62 WeakPolarHBondContact O-CG 3.19Å; E58-R62 PolarHBondContact O-N 3.4Å; E58-R62 IonicContact OE1-CZ 2.76Å; E58-R62 IonicContact OE1-NE 2.75Å; E58-R62 PolarHBondContact OE1-NE 2.74Å; E58-R62 IonicContact OE1-NH2 3.86Å; E58-R62 PolarHBondContact OE1-NH2 2.63Å; E58-R62 IonicContact OE2-NH2 2.91Å; A59-R62 PolarHBondContact O-N 2.83Å; R62-Q64 VanDerWaalsContact C-N 3.28Å; R62-Q64 PolarHBondContact O-N 3.29Å; R62-K65 WeakPolarHBondContact O-CA 3.22Å; R62-K65 WeakPolarHBondContact O-CB 3.41Å; R62-K65 PolarHBondContact O-N 3.24Å; R62-D66 PolarHBondContact O-N 3.07Å; R62-D66 VanDerWaalsContact O-OD2 3.13Å
63I95Very high93.7Very high23 Ų2374.6 Ų74.612%0.11839%0.388CS..Hα-helixtrans-60.5-34.5-175.4-162.767.5000113A59 D66 T67 V100 Y103A59-I63 PolarHBondContact O-N 3.24Å; A59-I63 VanDerWaalsContact O-N 3.11Å; I63-D66 PolarHBondContact O-N 2.9Å; I63-T67 HydrophobicContact CD1-CG2 3.99Å; I63-T67 HydrophobicContact CG1-CG2 4.18Å; I63-T67 WeakPolarHBondContact O-CB 3.33Å; I63-T67 WeakPolarHBondContact O-CG2 3.49Å; I63-T67 PolarHBondContact O-N 2.88Å; I63-T67 PolarHBondContact O-OG1 3.03Å; I63-V100 HydrophobicContact CG1-CG2 4.12Å; I63-Y103 HydrophobicContact CD1-CD2 4.23Å; I63-Y103 HydrophobicContact CD1-CG 4.21Å; I63-Y103 HydrophobicContact CG1-CD1 4.36Å; I63-Y103 HydrophobicContact CG1-CG 4.14Å; I63-Y103 HydrophobicContact CG2-CD1 4.49Å
64Q94.2Very high93.6Very high50 Ų5072.4 Ų72.423%0.23438%0.377CS..Hα-helixtrans-63.4-43.5173-82.6179.293.800112.5I60 R62 N68 T69 V71I60-Q64 WeakPolarHBondContact O-CB 3.35Å; I60-Q64 VanDerWaalsContact O-CG 3.31Å; I60-Q64 WeakPolarHBondContact O-CG 3.34Å; I60-Q64 PolarHBondContact O-N 2.96Å; I60-Q64 PolarHBondContact O-NE2 2.81Å; R62-Q64 VanDerWaalsContact C-N 3.28Å; R62-Q64 PolarHBondContact O-N 3.29Å; Q64-N68 CarbonylContact O-C 3.59Å; Q64-N68 VanDerWaalsContact O-CA 3.25Å; Q64-N68 WeakPolarHBondContact O-CA 3.27Å; Q64-N68 PolarHBondContact O-N 3.22Å; Q64-T69 WeakPolarHBondContact CB-O 3.29Å; Q64-T69 WeakPolarHBondContact CG-O 3.43Å; Q64-T69 PolarHBondContact O-N 2.92Å; Q64-T69 VanDerWaalsContact O-N 3.15Å; Q64-V71 HydrophobicContact CG-CB 3.82Å; Q64-V71 HydrophobicContact CG-CG2 3.67Å; Q64-V71 PolarHBondContact OE1-O 3.37Å
65K95Very high93.5Very high163 Ų16377.4 Ų77.471%0.70939%0.393SS*.Hα-helixtrans-65.9-44.9175.9-176.7-171.2173.5-168.50111.5G61 R62 N68G61-K65 PolarHBondContact O-N 3.02Å; R62-K65 WeakPolarHBondContact O-CA 3.22Å; R62-K65 WeakPolarHBondContact O-CB 3.41Å; R62-K65 PolarHBondContact O-N 3.24Å; K65-N68 PolarHBondContact O-N 2.87Å
66D95.6Very high93.3Very high112 Ų11275.3 Ų75.360%0.59939%0.386SS*.Hα-helixtrans-70.7-35.6-173.6-57.3-27.4000111.6R62 I63R62-D66 PolarHBondContact O-N 3.07Å; R62-D66 VanDerWaalsContact O-OD2 3.13Å; I63-D66 PolarHBondContact O-N 2.9Å
67T93.7Very high93Very high18 Ų1874.8 Ų74.811%0.1137%0.373CS..Hα-helixtrans-94.6-5.3177.861.80000114.4I63 T69 T99 V100I63-T67 HydrophobicContact CD1-CG2 3.99Å; I63-T67 HydrophobicContact CG1-CG2 4.18Å; I63-T67 WeakPolarHBondContact O-CB 3.33Å; I63-T67 WeakPolarHBondContact O-CG2 3.49Å; I63-T67 PolarHBondContact O-N 2.88Å; I63-T67 PolarHBondContact O-OG1 3.03Å; T67-T69 PolarHBondContact O-N 2.78Å; T67-T69 WeakPolarHBondContact OG1-CG2 3.46Å; T67-T69 PolarHBondContact OG1-OG1 2.94Å; T67-T99 HydrophobicContact CG2-CG2 3.54Å; T67-V100 HydrophobicContact CG2-CG2 4.06Å; T67-V100 WeakPolarHBondContact OG1-CG2 3.21Å
68N93.3Very high92.6Very high142 Ų14274.6 Ų74.676%0.75937%0.365SS*.THydrogen-bonded Turntrans53.330.1-170.4-62.2-88000114.1Q64 K65Q64-N68 CarbonylContact O-C 3.59Å; Q64-N68 VanDerWaalsContact O-CA 3.25Å; Q64-N68 WeakPolarHBondContact O-CA 3.27Å; Q64-N68 PolarHBondContact O-N 3.22Å; K65-N68 PolarHBondContact O-N 2.87Å
69T93.2Very high92.2Very high10 Ų1073.4 Ų73.46%0.06136%0.358CS..  trans-98.316217761.20000112Q64 T67 I91 G96 V100Q64-T69 WeakPolarHBondContact CB-O 3.29Å; Q64-T69 WeakPolarHBondContact CG-O 3.43Å; Q64-T69 PolarHBondContact O-N 2.92Å; Q64-T69 VanDerWaalsContact O-N 3.15Å; T67-T69 PolarHBondContact O-N 2.78Å; T67-T69 WeakPolarHBondContact OG1-CG2 3.46Å; T67-T69 PolarHBondContact OG1-OG1 2.94Å; T69-I91 WeakPolarHBondContact CA-O 3.41Å; T69-G96 VanDerWaalsContact CG2-C 3.48Å; T69-V100 HydrophobicContact CG2-CG2 4.07Å; T69-V100 VanDerWaalsContact OG1-CG2 3.28Å; T69-V100 WeakPolarHBondContact OG1-CG2 3.44Å
70K93.2Very high91.8Very high145 Ų14572.5 Ų72.563%0.6335%0.35SS*.EExtended strand (participates in β ladder)trans-109.2114.8169.7-175.7176-174.9174.40109.2I91K70-I91 HydrophobicContact CB-CB 4.48Å; K70-I91 PolarHBondContact N-O 2.77Å; K70-I91 PolarHBondContact O-N 2.78Å
71V94.1Very high91.1Very high12 Ų1272.6 Ų72.67%0.07335%0.351CS..EExtended strand (participates in β ladder)trans-114.3126.5-179-172.30000109.4I60 Q64 L89 I90 V100I60-V71 HydrophobicContact CD1-CB 4.24Å; I60-V71 HydrophobicContact CD1-CG1 3.8Å; I60-V71 HydrophobicContact CG1-CB 4.3Å; I60-V71 HydrophobicContact CG1-CG1 4.31Å; Q64-V71 HydrophobicContact CG-CB 3.82Å; Q64-V71 HydrophobicContact CG-CG2 3.67Å; Q64-V71 PolarHBondContact OE1-O 3.37Å; V71-L89 WeakPolarHBondContact CA-O 3.47Å; V71-I90 HydrophobicContact CG1-CG1 4.33Å; V71-I90 HydrophobicContact CG2-CG1 4.43Å; V71-I90 HydrophobicContact CG2-CG2 4.24Å; V71-V100 HydrophobicContact CG2-CG1 3.76Å; V71-V100 HydrophobicContact CG2-CG2 4.21Å
72K92.7Very high90.2Very high120 Ų12073.6 Ų73.652%0.52236%0.362SS..EExtended strand (participates in β ladder)trans-131125.3176.9-174.6-174.4169.6-174.50109.7L89 L211K72-L89 PolarHBondContact N-O 2.96Å; K72-L89 PolarHBondContact O-N 2.95Å; K72-L211 HydrophobicContact CB-CD2 4.03Å; K72-L211 HydrophobicContact CD-CD1 3.85Å; K72-L211 HydrophobicContact CD-CD2 3.75Å; K72-L211 HydrophobicContact CD-CG 4.48Å; K72-L211 HydrophobicContact CG-CD2 3.69Å; K72-L211 WeakPolarHBondContact O-CD2 3.46Å
73I92.5Very high89.6Confident25 Ų2568 Ų6813%0.12834%0.344CS..EExtended strand (participates in β ladder)trans-103.5145.1174.8-57.1172.7000108.5V52 I53 I60 R86 V87 C88V52-I73 HydrophobicContact CG1-CD1 4.01Å; I53-I73 HydrophobicContact CD1-CD1 4.16Å; I53-I73 HydrophobicContact CG1-CD1 3.74Å; I60-I73 HydrophobicContact CD1-CD1 3.7Å; I60-I73 HydrophobicContact CD1-CG1 4.19Å; I73-R86 HydrophobicContact CG2-CB 4.21Å; I73-V87 CarbonylContact C-O 3.58Å; I73-V87 WeakPolarHBondContact CA-O 3.46Å; I73-C88 HydrophobicContact CG1-CB 4.08Å
74S91.7Very high89.2Confident1 Ų172 Ų721%0.00737%0.37CS..PPolyproline II helixtrans-59.5164.5172.369.60000112.4E78 R86 V87S74-E78 WeakPolarHBondContact CA-OE2 3.49Å; S74-E78 VanDerWaalsContact CB-O 3.28Å; S74-E78 WeakPolarHBondContact CB-O 3.39Å; S74-E78 WeakPolarHBondContact CB-OE2 3.37Å; S74-E78 PolarHBondContact OG-O 3.46Å; S74-R86 PolarHBondContact O-NE 3.18Å; S74-R86 PolarHBondContact O-NH2 2.98Å; S74-R86 WeakPolarHBondContact OG-CA 3.44Å; S74-R86 WeakPolarHBondContact OG-CB 3.23Å; S74-V87 PolarHBondContact N-O 3.39Å; S74-V87 PolarHBondContact OG-N 3.41Å
75K90Very high89Confident127 Ų12770.7 Ų70.755%0.55236%0.363SS*.PPolyproline II helixtrans-60.6172.2173.9-60.9179.8-177.6175.70112D77 E78 R86K75-D77 VanDerWaalsContact C-N 3.31Å; K75-D77 PolarHBondContact O-N 3.06Å; K75-E78 HydrophobicContact CB-CB 3.79Å; K75-E78 PolarHBondContact N-OE2 3.5Å; K75-E78 PolarHBondContact O-N 3.48Å; K75-R86 PolarHBondContact O-NE 2.9Å
76Q88Confident88.9Confident143 Ų14364 Ų6467%0.66833%0.334SS*.SBendtrans-65.8-34.3179.7-75.5175.1-2600112.5F79Q76-F79 WeakPolarHBondContact O-CE1 3.46Å; Q76-F79 WeakPolarHBondContact O-CZ 3.45Å
77D84.1Confident88.7Confident126 Ų12658.7 Ų58.767%0.67431%0.305SS*.SBendtrans-94.4-1.9-179.5-34.8-85.9000113.2K75 F79K75-D77 VanDerWaalsContact C-N 3.31Å; K75-D77 PolarHBondContact O-N 3.06Å; D77-F79 PolarHBondContact O-N 3.32Å
78E84.8Confident88.7Confident22 Ų2257.8 Ų57.810%0.10330%0.3CS..  trans-98.979.3-173-175.4176-125.100109.4S74 K75 S212 H214S74-E78 WeakPolarHBondContact CA-OE2 3.49Å; S74-E78 VanDerWaalsContact CB-O 3.28Å; S74-E78 WeakPolarHBondContact CB-O 3.39Å; S74-E78 WeakPolarHBondContact CB-OE2 3.37Å; S74-E78 PolarHBondContact OG-O 3.46Å; K75-E78 HydrophobicContact CB-CB 3.79Å; K75-E78 PolarHBondContact N-OE2 3.5Å; K75-E78 PolarHBondContact O-N 3.48Å; E78-S212 VanDerWaalsContact OE1-CA 3.23Å; E78-S212 WeakPolarHBondContact OE1-CA 3.49Å; E78-S212 VanDerWaalsContact OE1-CB 3.24Å; E78-S212 WeakPolarHBondContact OE1-CB 3.44Å; E78-H214 VanDerWaalsContact CG-CE1 3.42Å; E78-H214 WeakPolarHBondContact CG-CE1 3.49Å; E78-H214 IonicContact OE1-CE1 2.67Å; E78-H214 PolarHBondContact OE1-CE1 3.02Å; E78-H214 VanDerWaalsContact OE1-CE1 3.24Å; E78-H214 IonicContact OE1-ND1 2.76Å
79F86.6Confident88.7Confident79 Ų7951.5 Ų51.535%0.34627%0.266SS..BIsolated β-bridgetrans-88.4158.6179-52-62.8000112.3S46 Q76 D77 E85 R86S46-F79 WeakPolarHBondContact OG-CE1 3.41Å; Q76-F79 WeakPolarHBondContact O-CE1 3.46Å; Q76-F79 WeakPolarHBondContact O-CZ 3.45Å; D77-F79 PolarHBondContact O-N 3.32Å; F79-E85 WeakPolarHBondContact CA-O 3.31Å; F79-R86 HydrophobicContact CD1-CG 4.08Å; F79-R86 HydrophobicContact CE1-CG 4.1Å
80Y85.7Confident88.7Confident5 Ų551 Ų512%0.0226%0.263CS..PPolyproline II helixtrans-73.1131.3163.6-172.6-95.4000109.9L43 G82 T83 E85 V87 L135 Y213 V223L43-Y80 HydrophobicContact CD1-CD1 4.05Å; L43-Y80 HydrophobicContact CD1-CG 4.14Å; L43-Y80 VanDerWaalsContact CD2-CB 3.49Å; L43-Y80 HydrophobicContact CD2-CD2 4.26Å; L43-Y80 HydrophobicContact CD2-CG 3.89Å; Y80-G82 PolarHBondContact O-N 3.48Å; Y80-T83 HydrophobicContact CD1-CG2 4.36Å; Y80-T83 PolarHBondContact O-N 3.5Å; Y80-T83 PolarHBondContact O-OG1 3.42Å; Y80-E85 PolarHBondContact N-O 3.12Å; Y80-V87 HydrophobicContact CD2-CG2 4.45Å; Y80-L135 HydrophobicContact CD2-CD1 3.54Å; Y80-L135 HydrophobicContact CD2-CD2 4.02Å; Y80-L135 HydrophobicContact CD2-CG 4.42Å; Y80-L135 HydrophobicContact CE1-CD2 4.18Å; Y80-L135 HydrophobicContact CE2-CD1 3.57Å; Y80-L135 HydrophobicContact CE2-CD2 3.6Å; Y80-L135 HydrophobicContact CE2-CG 4.24Å; Y80-L135 HydrophobicContact CG-CD1 4.43Å; Y80-L135 HydrophobicContact CG-CD2 4.46Å; Y80-Y213 HydrophobicContact CD2-CD2 4.04Å; Y80-Y213 HydrophobicContact CD2-CE1 4.41Å; Y80-Y213 AromaticContact CD2-CE2 3.68Å; Y80-Y213 HydrophobicContact CD2-CE2 3.68Å; Y80-Y213 AromaticContact CD2-CZ 3.87Å; Y80-Y213 HydrophobicContact CE2-CE1 4.17Å; Y80-Y213 HydrophobicContact CE2-CE2 4.14Å; Y80-Y213 AromaticContact CE2-CZ 3.82Å; Y80-V223 HydrophobicContact CD1-CG2 4.43Å; Y80-V223 HydrophobicContact CE1-CG2 4.21Å
81P80Confident88.7Confident21 Ų2146.3 Ų46.314%0.13624%0.244CC..THydrogen-bonded Turntrans-64.1134.1-17026.5-35.1000111.1I216 V220P81-I216 HydrophobicContact CG-CG2 4.48Å; P81-V220 HydrophobicContact CB-CB 4.27Å; P81-V220 HydrophobicContact CB-CG1 4.5Å; P81-V220 HydrophobicContact CB-CG2 3.85Å; P81-V220 HydrophobicContact CG-CG1 4.42Å; P81-V220 HydrophobicContact CG-CG2 4.06Å
82G75.1Confident88.6Confident60 Ų6046 Ų4662%0.61924%0.243SC*.THydrogen-bonded Turntrans85.43.6-170.600000115Y80Y80-G82 PolarHBondContact O-N 3.48Å
83T83.2Confident88.6Confident24 Ų2442.8 Ų42.815%0.14724%0.236CC..SBendtrans-135.5168.3173.973.90000112L43 Y80 E85 V223L43-T83 HydrophobicContact CD1-CG2 4.29Å; Y80-T83 HydrophobicContact CD1-CG2 4.36Å; Y80-T83 PolarHBondContact O-N 3.5Å; Y80-T83 PolarHBondContact O-OG1 3.42Å; T83-E85 WeakPolarHBondContact CB-OE2 3.48Å; T83-E85 WeakPolarHBondContact CG2-OE2 3.3Å; T83-E85 PolarHBondContact OG1-N 2.92Å; T83-V223 HydrophobicContact CG2-CB 4.3Å; T83-V223 HydrophobicContact CG2-CG2 3.7Å
84T86.7Confident88.5Confident108 Ų10844.3 Ų44.366%0.66324%0.242SC*.SBendtrans-102.725.2169.952.60000111.8S46S46-T84 PolarHBondContact OG-O 3.27Å
85E90Very high88.6Confident22 Ų2249.6 Ų49.610%0.10327%0.27CS..EExtended strand (participates in β ladder)trans-111137.4-169-61.8160.715300110.3L43 P45 F79 Y80 T83 K133L43-E85 HydrophobicContact CB-CB 3.89Å; P45-E85 HydrophobicContact CB-CG 4.48Å; F79-E85 WeakPolarHBondContact CA-O 3.31Å; Y80-E85 PolarHBondContact N-O 3.12Å; T83-E85 WeakPolarHBondContact CB-OE2 3.48Å; T83-E85 WeakPolarHBondContact CG2-OE2 3.3Å; T83-E85 PolarHBondContact OG1-N 2.92Å; E85-K133 IonicContact OE1-NZ 3.9Å; E85-K133 PolarHBondContact OE1-NZ 2.73Å; E85-K133 VanDerWaalsContact OE2-CD 3.22Å; E85-K133 WeakPolarHBondContact OE2-CD 3.48Å; E85-K133 IonicContact OE2-NZ 2.91Å; E85-K133 PolarHBondContact OE2-NZ 2.99Å
86R92Very high88.8Confident22 Ų2243.7 Ų43.78%0.08325%0.245CC..EExtended strand (participates in β ladder)trans-87.6144.8-178.2-72170.866.3-161-0.1110.2V44 I73 S74 K75 F79V44-R86 PolarHBondContact N-O 3.29Å; V44-R86 PolarHBondContact O-N 2.93Å; I73-R86 HydrophobicContact CG2-CB 4.21Å; S74-R86 PolarHBondContact O-NE 3.18Å; S74-R86 PolarHBondContact O-NH2 2.98Å; S74-R86 WeakPolarHBondContact OG-CA 3.44Å; S74-R86 WeakPolarHBondContact OG-CB 3.23Å; K75-R86 PolarHBondContact O-NE 2.9Å; F79-R86 HydrophobicContact CD1-CG 4.08Å; F79-R86 HydrophobicContact CE1-CG 4.1Å
87V92.3Very high89.1Confident0 Ų036.9 Ų36.90%021%0.214CC..EExtended strand (participates in β ladder)trans-88.8115.1-174.6-175.90000109.5L43 I73 S74 Y80 L135 Y213L43-V87 HydrophobicContact CD2-CG2 3.84Å; I73-V87 CarbonylContact C-O 3.58Å; I73-V87 WeakPolarHBondContact CA-O 3.46Å; S74-V87 PolarHBondContact N-O 3.39Å; S74-V87 PolarHBondContact OG-N 3.41Å; Y80-V87 HydrophobicContact CD2-CG2 4.45Å; V87-L135 HydrophobicContact CG1-CD1 4.19Å; V87-Y213 HydrophobicContact CG2-CD2 4.15Å; V87-Y213 HydrophobicContact CG2-CE2 3.94Å
88C93.7Very high89.5Confident0 Ų032.1 Ų32.10%019%0.188CC..EExtended strand (participates in β ladder)trans-97.7121.4171.2-173.80000109.7K41 I42 V44 I73K41-C88 CarbonylContact C-O 3.43Å; K41-C88 VanDerWaalsContact CA-O 3.29Å; K41-C88 WeakPolarHBondContact CA-O 2.8Å; I42-C88 HydrophobicContact CB-CB 4.44Å; I42-C88 PolarHBondContact N-O 2.63Å; I42-C88 PolarHBondContact O-N 3.47Å; V44-C88 HydrophobicContact CG2-CB 3.77Å; I73-C88 HydrophobicContact CG1-CB 4.08Å
89L93.4Very high90Very high10 Ų1033.8 Ų33.85%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-106.8124.8172.6176.465.1000109.2K41 V71 K72 I91 L211K41-L89 HydrophobicContact CG-CD1 3.65Å; V71-L89 WeakPolarHBondContact CA-O 3.47Å; K72-L89 PolarHBondContact N-O 2.96Å; K72-L89 PolarHBondContact O-N 2.95Å; L89-I91 HydrophobicContact CD1-CG1 4.31Å; L89-I91 HydrophobicContact CD2-CD1 4.09Å; L89-I91 HydrophobicContact CD2-CG1 4.45Å; L89-I91 HydrophobicContact CG-CD1 4.29Å; L89-I91 HydrophobicContact CG-CG1 4.09Å; L89-L211 HydrophobicContact CB-CD2 3.93Å; L89-L211 HydrophobicContact CB-CG 4.21Å; L89-L211 HydrophobicContact CD2-CD1 3.88Å; L89-L211 HydrophobicContact CD2-CG 4.32Å
90I94.1Very high90.4Very high0 Ų030.1 Ų30.10%018%0.183CC..EExtended strand (participates in β ladder)trans-114.4131.6177.3-51.6161.5000107.4Q39 L40 I42 V71 V97 V100 I104Q39-I90 WeakPolarHBondContact CA-O 3.47Å; L40-I90 HydrophobicContact CB-CB 4.47Å; L40-I90 HydrophobicContact CD2-CD1 4.17Å; L40-I90 PolarHBondContact N-O 2.84Å; L40-I90 PolarHBondContact O-N 3.27Å; I42-I90 HydrophobicContact CD1-CD1 3.63Å; I42-I90 HydrophobicContact CG1-CD1 4.34Å; V71-I90 HydrophobicContact CG1-CG1 4.33Å; V71-I90 HydrophobicContact CG2-CG1 4.43Å; V71-I90 HydrophobicContact CG2-CG2 4.24Å; I90-V97 HydrophobicContact CG2-CB 4.4Å; I90-V97 HydrophobicContact CG2-CG1 4.42Å; I90-V97 HydrophobicContact CG2-CG2 3.97Å; I90-V100 HydrophobicContact CD1-CB 4.3Å; I90-V100 HydrophobicContact CD1-CG1 3.66Å; I90-V100 HydrophobicContact CG1-CG1 3.89Å; I90-V100 HydrophobicContact CG2-CB 4.14Å; I90-V100 HydrophobicContact CG2-CG1 4.05Å; I90-V100 HydrophobicContact CG2-CG2 4.44Å; I90-I104 HydrophobicContact CD1-CD1 3.92Å; I90-I104 HydrophobicContact CG1-CD1 4.5Å
91I92Very high90.8Very high45 Ų4530 Ų3023%0.23118%0.183CC..EExtended strand (participates in β ladder)trans-131.9130.5177.4-53.3-179.5000108.8V38 Q39 T69 K70 L89V38-I91 WeakPolarHBondContact O-CA 3.46Å; Q39-I91 HydrophobicContact CG-CD1 4.46Å; Q39-I91 HydrophobicContact CG-CG1 4.04Å; Q39-I91 HydrophobicContact CG-CG2 4.18Å; T69-I91 WeakPolarHBondContact CA-O 3.41Å; K70-I91 HydrophobicContact CB-CB 4.48Å; K70-I91 PolarHBondContact N-O 2.77Å; K70-I91 PolarHBondContact O-N 2.78Å; L89-I91 HydrophobicContact CD1-CG1 4.31Å; L89-I91 HydrophobicContact CD2-CD1 4.09Å; L89-I91 HydrophobicContact CD2-CG1 4.45Å; L89-I91 HydrophobicContact CG-CD1 4.29Å; L89-I91 HydrophobicContact CG-CG1 4.09Å
92G91.4Very high91.4Very high5 Ų531 Ų315%0.05219%0.187CC..EExtended strand (participates in β ladder)trans165.6-156.6174.100000113N37 V38N37-G92 CarbonylContact C-O 3.53Å; V38-G92 PolarHBondContact N-O 3.5Å; V38-G92 PolarHBondContact O-N 3.28Å; V38-G92 VanDerWaalsContact O-N 3.12Å
93S93.3Very high92.3Very high53 Ų5330.3 Ų30.337%0.37117%0.166SC..  trans-66.2152.4172.259.90000111.5D95 G96 V97S93-D95 VanDerWaalsContact C-N 3.34Å; S93-D95 PolarHBondContact O-N 3.37Å; S93-G96 PolarHBondContact O-N 2.87Å; S93-G96 VanDerWaalsContact O-N 3.16Å; S93-G96 PolarHBondContact OG-N 2.89Å; S93-V97 VanDerWaalsContact O-CG2 3.31Å; S93-V97 WeakPolarHBondContact O-CG2 3.4Å; S93-V97 PolarHBondContact O-N 3.17Å
94F91.3Very high92.8Very high57 Ų5729.2 Ų29.225%0.2516%0.16CC..Hα-helixtrans-49.3-50.3177.4-180-97.9000113.2V38 V97 I98 H193 L196 N197 A200V38-F94 HydrophobicContact CG2-CB 4.28Å; V38-F94 HydrophobicContact CG2-CD2 4.42Å; F94-V97 PolarHBondContact O-N 3.48Å; F94-I98 HydrophobicContact CD1-CD1 3.61Å; F94-I98 HydrophobicContact CE1-CD1 3.3Å; F94-I98 HydrophobicContact CE2-CD1 4.4Å; F94-I98 HydrophobicContact CG-CD1 4.29Å; F94-I98 HydrophobicContact CZ-CD1 3.74Å; F94-I98 WeakPolarHBondContact O-CG1 3.24Å; F94-I98 PolarHBondContact O-N 2.87Å; F94-I98 VanDerWaalsContact O-N 3.07Å; F94-H193 AromaticContact CE1-NE2 3.82Å; F94-H193 AromaticContact CZ-NE2 3.9Å; F94-L196 HydrophobicContact CE2-CB 3.95Å; F94-N197 WeakPolarHBondContact CZ-OD1 3.43Å; F94-A200 HydrophobicContact CD2-CB 4.2Å
95D93.2Very high92.9Very high113 Ų11324.3 Ų24.360%0.60413%0.129SC*.Hα-helixtrans-65.4-40.4178.8-178.872.9000113.3S93 V97 I98 T99S93-D95 VanDerWaalsContact C-N 3.34Å; S93-D95 PolarHBondContact O-N 3.37Å; D95-V97 PolarHBondContact O-N 3.06Å; D95-I98 PolarHBondContact O-N 2.76Å; D95-T99 PolarHBondContact O-N 3.37Å; D95-T99 PolarHBondContact O-OG1 2.91Å
96G93.8Very high93Very high3 Ų326.4 Ų26.43%0.03114%0.141CC..Hα-helixtrans-63.5-41.4174.600000112T69 S93 T99 V100T69-G96 VanDerWaalsContact CG2-C 3.48Å; S93-G96 PolarHBondContact O-N 2.87Å; S93-G96 VanDerWaalsContact O-N 3.16Å; S93-G96 PolarHBondContact OG-N 2.89Å; G96-T99 PolarHBondContact O-N 2.82Å; G96-V100 WeakPolarHBondContact O-CG2 3.44Å; G96-V100 PolarHBondContact O-N 3.39Å
97V94.1Very high92.8Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-62-41.9175.7171.10000111.3V38 L40 I90 S93 F94 D95 H101 L196V38-V97 HydrophobicContact CB-CG2 4.46Å; L40-V97 HydrophobicContact CB-CG1 3.6Å; L40-V97 HydrophobicContact CD2-CG1 3.78Å; L40-V97 HydrophobicContact CG-CG1 4.32Å; I90-V97 HydrophobicContact CG2-CB 4.4Å; I90-V97 HydrophobicContact CG2-CG1 4.42Å; I90-V97 HydrophobicContact CG2-CG2 3.97Å; S93-V97 VanDerWaalsContact O-CG2 3.31Å; S93-V97 WeakPolarHBondContact O-CG2 3.4Å; S93-V97 PolarHBondContact O-N 3.17Å; F94-V97 PolarHBondContact O-N 3.48Å; D95-V97 PolarHBondContact O-N 3.06Å; V97-H101 VanDerWaalsContact O-CB 3.29Å; V97-H101 WeakPolarHBondContact O-CB 3.43Å; V97-H101 PolarHBondContact O-N 2.7Å; V97-L196 HydrophobicContact CG1-CD1 4.24Å; V97-L196 HydrophobicContact CG1-CD2 3.76Å
98I93.8Very high92.5Very high25 Ų2530 Ų3013%0.12816%0.156CC..Hα-helixtrans-63.4-45174.8-68.2158.7000111.1F94 D95 V100 H101 N102 L196F94-I98 HydrophobicContact CD1-CD1 3.61Å; F94-I98 HydrophobicContact CE1-CD1 3.3Å; F94-I98 HydrophobicContact CE2-CD1 4.4Å; F94-I98 HydrophobicContact CG-CD1 4.29Å; F94-I98 HydrophobicContact CZ-CD1 3.74Å; F94-I98 WeakPolarHBondContact O-CG1 3.24Å; F94-I98 PolarHBondContact O-N 2.87Å; F94-I98 VanDerWaalsContact O-N 3.07Å; D95-I98 PolarHBondContact O-N 2.76Å; I98-V100 PolarHBondContact O-N 3.39Å; I98-H101 WeakPolarHBondContact O-CB 3.33Å; I98-H101 PolarHBondContact O-N 2.68Å; I98-N102 PolarHBondContact O-N 2.97Å; I98-N102 PolarHBondContact O-ND2 3.14Å; I98-N102 PolarHBondContact O-OD1 2.89Å; I98-L196 HydrophobicContact CG1-CD1 3.7Å
99T94.5Very high91.9Very high57 Ų5733.7 Ų33.735%0.3517%0.174SC..Hα-helixtrans-63.8-42.9-179.3-60.20000111.7T67 D95 G96 N102 Y103T67-T99 HydrophobicContact CG2-CG2 3.54Å; D95-T99 PolarHBondContact O-N 3.37Å; D95-T99 PolarHBondContact O-OG1 2.91Å; G96-T99 PolarHBondContact O-N 2.82Å; T99-N102 PolarHBondContact O-N 2.81Å; T99-Y103 PolarHBondContact O-N 3.05Å; T99-Y103 VanDerWaalsContact O-N 3.09Å
100V95.1Very high91.2Very high2 Ų238.3 Ų38.31%0.01220%0.196CC..Hα-helixtrans-65.4-42.4173175.40000111.8I63 T67 T69 V71 I90 G96 I98 N102 Y103 I104I63-V100 HydrophobicContact CG1-CG2 4.12Å; T67-V100 HydrophobicContact CG2-CG2 4.06Å; T67-V100 WeakPolarHBondContact OG1-CG2 3.21Å; T69-V100 HydrophobicContact CG2-CG2 4.07Å; T69-V100 VanDerWaalsContact OG1-CG2 3.28Å; T69-V100 WeakPolarHBondContact OG1-CG2 3.44Å; V71-V100 HydrophobicContact CG2-CG1 3.76Å; V71-V100 HydrophobicContact CG2-CG2 4.21Å; I90-V100 HydrophobicContact CD1-CB 4.3Å; I90-V100 HydrophobicContact CD1-CG1 3.66Å; I90-V100 HydrophobicContact CG1-CG1 3.89Å; I90-V100 HydrophobicContact CG2-CB 4.14Å; I90-V100 HydrophobicContact CG2-CG1 4.05Å; I90-V100 HydrophobicContact CG2-CG2 4.44Å; G96-V100 WeakPolarHBondContact O-CG2 3.44Å; G96-V100 PolarHBondContact O-N 3.39Å; I98-V100 PolarHBondContact O-N 3.39Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 2.92Å; V100-Y103 PolarHBondContact O-N 2.91Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 HydrophobicContact CG1-CG1 4.39Å; V100-I104 WeakPolarHBondContact O-CG1 3.22Å; V100-I104 PolarHBondContact O-N 3.11Å
101H93.5Very high89.8Confident2 Ų243 Ų431%0.00922%0.216CC..Hα-helixtrans-55.3-50.9176.1166.2-87.7000110.9L40 V97 I98 Y103 I104 M105L40-H101 HydrophobicContact CD2-CB 4.21Å; V97-H101 VanDerWaalsContact O-CB 3.29Å; V97-H101 WeakPolarHBondContact O-CB 3.43Å; V97-H101 PolarHBondContact O-N 2.7Å; I98-H101 WeakPolarHBondContact O-CB 3.33Å; I98-H101 PolarHBondContact O-N 2.68Å; H101-Y103 PolarHBondContact O-N 2.76Å; H101-I104 WeakPolarHBondContact O-CB 3.43Å; H101-I104 PolarHBondContact O-N 3.36Å; H101-I104 VanDerWaalsContact O-N 3.09Å; H101-M105 WeakPolarHBondContact NE2-CE 3.27Å; H101-M105 WeakPolarHBondContact O-CG 3.46Å; H101-M105 PolarHBondContact O-N 3.48Å
102N93.7Very high88.4Confident42 Ų4244.4 Ų44.423%0.22523%0.228CC..Hα-helixtrans-62.8-42.9-178.3-64.5-11.3000111.2I98 T99 V100 I104 M105 D106I98-N102 PolarHBondContact O-N 2.97Å; I98-N102 PolarHBondContact O-ND2 3.14Å; I98-N102 PolarHBondContact O-OD1 2.89Å; T99-N102 PolarHBondContact O-N 2.81Å; V100-N102 VanDerWaalsContact C-N 3.34Å; V100-N102 PolarHBondContact O-N 2.92Å; N102-I104 VanDerWaalsContact C-N 3.31Å; N102-I104 PolarHBondContact O-N 3.15Å; N102-M105 PolarHBondContact O-N 3.39Å; N102-D106 PolarHBondContact O-N 3.13Å
103Y94Very high86.7Confident47 Ų4747.1 Ų47.118%0.18424%0.241CC..Hα-helixtrans-56.8-41.1172.4176.9-90.4000112.9A59 I63 T99 V100 H101 R107A59-Y103 WeakPolarHBondContact CB-OH 3.26Å; I63-Y103 HydrophobicContact CD1-CD2 4.23Å; I63-Y103 HydrophobicContact CD1-CG 4.21Å; I63-Y103 HydrophobicContact CG1-CD1 4.36Å; I63-Y103 HydrophobicContact CG1-CG 4.14Å; I63-Y103 HydrophobicContact CG2-CD1 4.49Å; T99-Y103 PolarHBondContact O-N 3.05Å; T99-Y103 VanDerWaalsContact O-N 3.09Å; V100-Y103 PolarHBondContact O-N 2.91Å; H101-Y103 PolarHBondContact O-N 2.76Å; Y103-R107 HydrophobicContact CD1-CG 4.42Å; Y103-R107 HydrophobicContact CE1-CG 3.98Å; Y103-R107 HydrophobicContact CE2-CG 4.48Å; Y103-R107 VanDerWaalsContact O-CG 3.26Å; Y103-R107 WeakPolarHBondContact O-CG 3.45Å; Y103-R107 PolarHBondContact O-N 3.14Å; Y103-R107 PolarHBondContact OH-NE 3.41Å
104I92.8Very high84.6Confident1 Ų150.8 Ų50.81%0.00526%0.264CS..Hα-helixtrans-66.8-41.7177.4-70167.5000111I42 V44 V52 I90 V100 H101 N102 R107 I108I42-I104 HydrophobicContact CD1-CD1 4.21Å; V44-I104 HydrophobicContact CG2-CG2 3.97Å; V52-I104 HydrophobicContact CG1-CG1 3.9Å; V52-I104 HydrophobicContact CG2-CG1 4.36Å; V52-I104 HydrophobicContact CG2-CG2 4.29Å; I90-I104 HydrophobicContact CD1-CD1 3.92Å; I90-I104 HydrophobicContact CG1-CD1 4.5Å; V100-I104 HydrophobicContact CG1-CD1 3.79Å; V100-I104 HydrophobicContact CG1-CG1 4.39Å; V100-I104 WeakPolarHBondContact O-CG1 3.22Å; V100-I104 PolarHBondContact O-N 3.11Å; H101-I104 WeakPolarHBondContact O-CB 3.43Å; H101-I104 PolarHBondContact O-N 3.36Å; H101-I104 VanDerWaalsContact O-N 3.09Å; N102-I104 VanDerWaalsContact C-N 3.31Å; N102-I104 PolarHBondContact O-N 3.15Å; I104-R107 PolarHBondContact O-N 3.31Å; I104-I108 HydrophobicContact CG2-CD1 3.84Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.04Å
105M89.8Confident82.5Confident5 Ų552.3 Ų52.33%0.02528%0.275CS..Hα-helixtrans-65.3-42.2179.1-60.9-40.1129.400112.2I42 H101 N102 R107 I108 M109 V132 L185I42-M105 HydrophobicContact CD1-CE 3.82Å; I42-M105 HydrophobicContact CG2-CE 3.88Å; H101-M105 WeakPolarHBondContact NE2-CE 3.27Å; H101-M105 WeakPolarHBondContact O-CG 3.46Å; H101-M105 PolarHBondContact O-N 3.48Å; N102-M105 PolarHBondContact O-N 3.39Å; M105-R107 PolarHBondContact O-N 3.11Å; M105-I108 HydrophobicContact CE-CD1 4.42Å; M105-I108 PolarHBondContact O-N 2.87Å; M105-I108 VanDerWaalsContact O-N 3.09Å; M105-I108 HydrophobicContact SD-CD1 4Å; M105-M109 PolarHBondContact O-N 2.86Å; M105-V132 HydrophobicContact CE-CG1 3.67Å; M105-V132 HydrophobicContact CE-CG2 4.43Å; M105-V132 HydrophobicContact CG-CG2 4.09Å; M105-V132 HydrophobicContact SD-CB 4.07Å; M105-V132 HydrophobicContact SD-CG1 3.62Å; M105-V132 HydrophobicContact SD-CG2 3.26Å; M105-V132 WeakPolarHBondContact SD-CG2 3.46Å; M105-L185 HydrophobicContact CB-CD1 4.21Å
106D90.6Very high80.6Confident65 Ų6552.5 Ų52.535%0.34828%0.282SS..Hα-helixtrans-62.1-35.7176.8-62.3-1.7000110.8N102 M109 E110 R189N102-D106 PolarHBondContact O-N 3.13Å; D106-M109 PolarHBondContact O-N 3.33Å; D106-E110 VanDerWaalsContact O-CB 3.24Å; D106-E110 WeakPolarHBondContact O-CB 3.48Å; D106-E110 PolarHBondContact O-N 3.37Å; D106-R189 IonicContact OD1-CZ 2.76Å; D106-R189 IonicContact OD1-NE 3.57Å; D106-R189 IonicContact OD1-NH2 3.42Å; D106-R189 PolarHBondContact OD1-NH2 3.45Å; D106-R189 IonicContact OD2-NH2 3.7Å; D106-R189 PolarHBondContact OD2-NH2 3.32Å
107R88.5Confident78.3Confident77 Ų7759 Ų5929%0.29132%0.316SS..Hα-helixtrans-76.3-21175.1-65.7-67.7167.2-157.8-11.4114.8A51 V52 Y103 I104 M105 E110A51-R107 HydrophobicContact CB-CB 4.33Å; V52-R107 HydrophobicContact CG2-CB 3.75Å; V52-R107 HydrophobicContact CG2-CG 4.43Å; Y103-R107 HydrophobicContact CD1-CG 4.42Å; Y103-R107 HydrophobicContact CE1-CG 3.98Å; Y103-R107 HydrophobicContact CE2-CG 4.48Å; Y103-R107 VanDerWaalsContact O-CG 3.26Å; Y103-R107 WeakPolarHBondContact O-CG 3.45Å; Y103-R107 PolarHBondContact O-N 3.14Å; Y103-R107 PolarHBondContact OH-NE 3.41Å; I104-R107 PolarHBondContact O-N 3.31Å; M105-R107 PolarHBondContact O-N 3.11Å; R107-E110 WeakPolarHBondContact CD-OE2 3.11Å; R107-E110 IonicContact CZ-OE1 2.73Å; R107-E110 IonicContact CZ-OE2 3.2Å; R107-E110 IonicContact NE-OE2 3.99Å; R107-E110 IonicContact NH1-OE1 2.7Å; R107-E110 PolarHBondContact NH1-OE1 2.87Å; R107-E110 IonicContact NH1-OE2 2.73Å; R107-E110 PolarHBondContact NH1-OE2 3.2Å
108I86.6Confident76.2Confident22 Ų2264 Ų6411%0.11335%0.346CS..Hα-helixtrans-77.2-42.1169.3-69.1165000109.6V44 A48 I104 M105V44-I108 HydrophobicContact CG1-CD1 4.41Å; V44-I108 HydrophobicContact CG1-CG1 4.49Å; A48-I108 HydrophobicContact CB-CB 4.3Å; A48-I108 HydrophobicContact CB-CG1 3.69Å; I104-I108 HydrophobicContact CG2-CD1 3.84Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.04Å; M105-I108 HydrophobicContact CE-CD1 4.42Å; M105-I108 PolarHBondContact O-N 2.87Å; M105-I108 VanDerWaalsContact O-N 3.09Å; M105-I108 HydrophobicContact SD-CD1 4Å
109M79.8Confident74Confident77 Ų7766.5 Ų66.538%0.37936%0.363SS..Hα-helixtrans-78.2-25.1-179.7-71-17559.100114.7M105 D106 K111 P112 L185M105-M109 PolarHBondContact O-N 2.86Å; D106-M109 PolarHBondContact O-N 3.33Å; M109-K111 PolarHBondContact O-N 3.38Å; M109-P112 WeakPolarHBondContact O-CD 3.26Å; M109-L185 HydrophobicContact CE-CB 4.17Å; M109-L185 HydrophobicContact CE-CD2 4.5Å; M109-L185 HydrophobicContact SD-CB 3.95Å; M109-L185 HydrophobicContact SD-CD1 3.8Å; M109-L185 HydrophobicContact SD-CD2 4.25Å; M109-L185 HydrophobicContact SD-CG 4.21Å
110E79Confident71.2Confident107 Ų10768 Ų6850%0.539%0.39SS..THydrogen-bonded Turntrans-63.9-26.4173.1179.8-173.2-131.800112.4D106 R107D106-E110 VanDerWaalsContact O-CB 3.24Å; D106-E110 WeakPolarHBondContact O-CB 3.48Å; D106-E110 PolarHBondContact O-N 3.37Å; R107-E110 WeakPolarHBondContact CD-OE2 3.11Å; R107-E110 IonicContact CZ-OE1 2.73Å; R107-E110 IonicContact CZ-OE2 3.2Å; R107-E110 IonicContact NE-OE2 3.99Å; R107-E110 IonicContact NH1-OE1 2.7Å; R107-E110 PolarHBondContact NH1-OE1 2.87Å; R107-E110 IonicContact NH1-OE2 2.73Å; R107-E110 PolarHBondContact NH1-OE2 3.2Å
111K65.6Low68.7Low98 Ų9874.9 Ų74.943%0.42642%0.422SS..SBendtrans-128.568-175.8-59.7-169.6-170.9-179.90111.6A51 M109A51-K111 HydrophobicContact CB-CD 3.89Å; M109-K111 PolarHBondContact O-N 3.38Å
112P61.9Low65.8Low74 Ų7478.9 Ų78.948%0.48146%0.463SS..  trans-61.5144.6167.330.9-34.6000108.9M109 P114M109-P112 WeakPolarHBondContact O-CD 3.26Å; P112-P114 WeakPolarHBondContact O-CD 3.45Å
113D55.3Low63.4Low62 Ų6287.6 Ų87.633%0.33249%0.493SS..  trans-64.2124.5-176.5-61.1-46.5000109.8I47 N115 H129I47-D113 WeakPolarHBondContact CD1-OD1 3.19Å; D113-N115 PolarHBondContact O-N 3.17Å; D113-H129 WeakPolarHBondContact CB-NE2 3.4Å; D113-H129 IonicContact OD2-CD2 2.68Å; D113-H129 IonicContact OD2-CE1 2.63Å; D113-H129 IonicContact OD2-NE2 2.7Å; D113-H129 PolarHBondContact OD2-NE2 2.99Å
114P50.4Low61.3Low131 Ų13192.8 Ų92.885%0.85152%0.523SS*.SBendtrans-76.730.6-172.532.2-37.3000113.6P112P112-P114 WeakPolarHBondContact O-CD 3.45Å
115N46.7Very low59Low89 Ų8995.7 Ų95.748%0.47654%0.539SS..  trans-145.887.8180-177.317.3000112.5D113 N117 T118D113-N115 PolarHBondContact O-N 3.17Å; N115-N117 PolarHBondContact O-N 2.81Å; N115-N117 WeakPolarHBondContact OD1-CA 3.4Å; N115-N117 WeakPolarHBondContact OD1-CB 3.33Å; N115-N117 PolarHBondContact OD1-N 3.28Å; N115-T118 PolarHBondContact ND2-OG1 2.87Å
116P53.8Low56.9Low116 Ų116100.9 Ų100.975%0.75357%0.57SS**  trans-74.8-1.7168.129.6-32.6000113.8
117N45.9Very low55.2Low139 Ų139103 Ų10374%0.74358%0.578SS**  trans-108.928.2-161.7-64.5-13000114.1N115N115-N117 PolarHBondContact O-N 2.81Å; N115-N117 WeakPolarHBondContact OD1-CA 3.4Å; N115-N117 WeakPolarHBondContact OD1-CB 3.33Å; N115-N117 PolarHBondContact OD1-N 3.28Å
118T49.3Very low53.6Low105 Ų105105.3 Ų105.364%0.64459%0.587SS**SBendtrans-138.352.2177.4-45.50000113.2N115N115-T118 PolarHBondContact ND2-OG1 2.87Å
119T47.6Very low52.2Low78 Ų78107.5 Ų107.548%0.47960%0.597SS.*  trans-150119153-440000108.9E121 N125T119-E121 HydrophobicContact CG2-CB 3.91Å; T119-E121 HydrophobicContact CG2-CG 4.01Å; T119-E121 PolarHBondContact O-N 2.85Å; T119-N125 PolarHBondContact OG1-ND2 2.96Å
120G36.4Very low52Low88 Ų88109.8 Ų109.891%0.90761%0.605SS**  trans-75.822.1-179.400000115.2
121E42.6Very low52.3Low148 Ų148106 Ų10669%0.69259%0.587SS**  trans-107.896.7-172.1-72.6-73.8114.600109.7T119 R123T119-E121 HydrophobicContact CG2-CB 3.91Å; T119-E121 HydrophobicContact CG2-CG 4.01Å; T119-E121 PolarHBondContact O-N 2.85Å; E121-R123 VanDerWaalsContact C-N 3.26Å; E121-R123 PolarHBondContact O-N 2.97Å
122G32.5Very low53.5Low85 Ų85101.9 Ų101.988%0.87657%0.57SS**  trans-75.156-171.800000115.9
123R42Very low54.9Low226 Ų22698.6 Ų98.685%0.85355%0.548SS*.SBendtrans-163.6132.6164.4-110.4160.7-174.7-170.70.2112.9E121 N125E121-R123 VanDerWaalsContact C-N 3.26Å; E121-R123 PolarHBondContact O-N 2.97Å; R123-N125 PolarHBondContact O-N 2.8Å
124L49.3Very low56.7Low156 Ų15695.6 Ų95.682%0.81753%0.532SS*.SBendtrans64.428.2163.2-48.7179.6000118.4
125N46.3Very low58.6Low61 Ų6189.7 Ų89.733%0.32649%0.493SS..  trans-103.727.5179.2-159.526000114.2T119 R123 R128T119-N125 PolarHBondContact OG1-ND2 2.96Å; R123-N125 PolarHBondContact O-N 2.8Å; N125-R128 PolarHBondContact OD1-NE 2.97Å; N125-R128 PolarHBondContact OD1-NH2 2.83Å
126V45.5Very low60.7Low114 Ų11485.5 Ų85.569%0.69147%0.471SS*.SBendtrans-107.4-34.1-176.5-177.50000112.4R128V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 2.64Å
127E54.2Low62.4Low111 Ų11180.8 Ų80.852%0.51944%0.44SS..G310 helixtrans-70.9-13-175.8-7862.8-146.400114.8H129 K130E127-H129 PolarHBondContact O-N 3.43Å; E127-K130 CarbonylContact O-C 3.13Å; E127-K130 PolarHBondContact O-N 3.49Å
128R55.8Low64.4Low124 Ų12476.2 Ų76.247%0.46842%0.416SS..G310 helixtrans-64.7-16.8-171.8-73-156.9-76.6159.7-13.2114.9N125 V126 Y224N125-R128 PolarHBondContact OD1-NE 2.97Å; N125-R128 PolarHBondContact OD1-NH2 2.83Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 2.64Å; R128-Y224 WeakPolarHBondContact CD-OH 3.34Å
129H57.3Low66.1Low69 Ų6973.4 Ų73.432%0.31940%0.401SS..G310 helixtrans-87.6-2.3172.9-58.3100.3000114.2D113 E127D113-H129 WeakPolarHBondContact CB-NE2 3.4Å; D113-H129 IonicContact OD2-CD2 2.68Å; D113-H129 IonicContact OD2-CE1 2.63Å; D113-H129 IonicContact OD2-NE2 2.7Å; D113-H129 PolarHBondContact OD2-NE2 2.99Å; E127-H129 PolarHBondContact O-N 3.43Å
130K74.8Confident68.2Low125 Ų12569.7 Ų69.754%0.54338%0.378SS..G310 helixtrans-127.830.1177.9-61.9-172.3179.1-1760112.4E127 A182 G183E127-K130 CarbonylContact O-C 3.13Å; E127-K130 PolarHBondContact O-N 3.49Å; K130-A182 WeakPolarHBondContact O-CA 3.35Å; K130-G183 PolarHBondContact O-N 3.31Å
131Q85.3Confident70.8Confident26 Ų2665.5 Ų65.512%0.12134%0.335CS..EExtended strand (participates in β ladder)trans-121.6149.5174.973.9178.50.400111.6V180 V181 A182 Y224Q131-V180 HydrophobicContact CB-CG1 4.25Å; Q131-V181 CarbonylContact C-O 3.55Å; Q131-V181 VanDerWaalsContact CA-O 3.27Å; Q131-V181 WeakPolarHBondContact CA-O 3.24Å; Q131-A182 HydrophobicContact CB-CB 3.81Å; Q131-Y224 PolarHBondContact NE2-OH 2.78Å; Q131-Y224 VanDerWaalsContact NE2-OH 3.11Å
132V90.1Very high73.1Confident12 Ų1260.2 Ų60.27%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-123.7142.4179.9-178.70000108.1I42 M105 I134 V180 V181 T188I42-V132 HydrophobicContact CG2-CG1 4.5Å; M105-V132 HydrophobicContact CE-CG1 3.67Å; M105-V132 HydrophobicContact CE-CG2 4.43Å; M105-V132 HydrophobicContact CG-CG2 4.09Å; M105-V132 HydrophobicContact SD-CB 4.07Å; M105-V132 HydrophobicContact SD-CG1 3.62Å; M105-V132 HydrophobicContact SD-CG2 3.26Å; M105-V132 WeakPolarHBondContact SD-CG2 3.46Å; V132-I134 HydrophobicContact CG1-CG1 4.4Å; V132-V180 CarbonylContact O-C 3.58Å; V132-V180 WeakPolarHBondContact O-CA 3.25Å; V132-V181 PolarHBondContact N-O 2.93Å; V132-V181 PolarHBondContact O-N 2.81Å; V132-T188 HydrophobicContact CB-CG2 4.03Å; V132-T188 HydrophobicContact CG2-CG2 3.43Å; V132-T188 VanDerWaalsContact CG2-CG2 3.43Å
133K91.7Very high76Confident5 Ų561.3 Ų61.32%0.02230%0.303CS..EExtended strand (participates in β ladder)trans-127.4117.5-174.5-78.8173.2177.9172.60110I42 L43 E85 I179 V180 V223 Y224I42-K133 CarbonylContact C-O 3.53Å; I42-K133 VanDerWaalsContact CA-O 3.29Å; I42-K133 WeakPolarHBondContact CA-O 3.38Å; I42-K133 WeakPolarHBondContact CG2-O 3.42Å; L43-K133 HydrophobicContact CB-CB 3.8Å; L43-K133 HydrophobicContact CB-CD 4.38Å; L43-K133 HydrophobicContact CD1-CB 4.21Å; L43-K133 HydrophobicContact CD1-CD 4.19Å; L43-K133 HydrophobicContact CG-CB 4.19Å; L43-K133 PolarHBondContact N-O 3.19Å; E85-K133 IonicContact OE1-NZ 3.9Å; E85-K133 PolarHBondContact OE1-NZ 2.73Å; E85-K133 VanDerWaalsContact OE2-CD 3.22Å; E85-K133 WeakPolarHBondContact OE2-CD 3.48Å; E85-K133 IonicContact OE2-NZ 2.91Å; E85-K133 PolarHBondContact OE2-NZ 2.99Å; K133-I179 CarbonylContact C-O 3.57Å; K133-I179 WeakPolarHBondContact CA-O 3.48Å; K133-V180 HydrophobicContact CG-CG1 4.4Å; K133-V180 HydrophobicContact CG-CG2 4.27Å; K133-V223 HydrophobicContact CD-CG1 4.25Å; K133-Y224 PolarHBondContact NZ-OH 3.33Å
134I93.2Very high78.5Confident0 Ų050.5 Ų50.50%026%0.262CS..EExtended strand (participates in β ladder)trans-112.5134.8-177.5-67.2169.9000108.6L40 K41 V132 V136 C178 I179 V192L40-I134 HydrophobicContact CD1-CD1 4.32Å; L40-I134 HydrophobicContact CD1-CG1 4.36Å; L40-I134 HydrophobicContact CD1-CG2 3.67Å; K41-I134 CarbonylContact O-C 3.58Å; K41-I134 VanDerWaalsContact O-CA 3.26Å; K41-I134 WeakPolarHBondContact O-CA 3.19Å; K41-I134 WeakPolarHBondContact O-CG2 3.36Å; V132-I134 HydrophobicContact CG1-CG1 4.4Å; I134-V136 HydrophobicContact CG2-CG1 3.85Å; I134-C178 CarbonylContact O-C 3.59Å; I134-C178 WeakPolarHBondContact O-CA 3.44Å; I134-I179 PolarHBondContact N-O 3.12Å; I134-I179 PolarHBondContact O-N 2.98Å; I134-V192 HydrophobicContact CD1-CB 4.15Å; I134-V192 HydrophobicContact CD1-CG1 3.56Å; I134-V192 HydrophobicContact CD1-CG2 3.56Å
135L91.4Very high80.5Confident6 Ų645.4 Ų45.43%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-94.8130.4169.9-55.8177.3000109.2K41 L43 Y80 V87 R177 C178K41-L135 HydrophobicContact CB-CB 3.76Å; K41-L135 HydrophobicContact CB-CD1 4.48Å; K41-L135 HydrophobicContact CB-CG 4.42Å; K41-L135 HydrophobicContact CD-CB 4.07Å; K41-L135 HydrophobicContact CD-CD1 4.2Å; K41-L135 PolarHBondContact O-N 3.36Å; L43-L135 HydrophobicContact CD1-CD2 4.2Å; L43-L135 HydrophobicContact CD2-CD1 3.9Å; L43-L135 HydrophobicContact CD2-CD2 4.29Å; L43-L135 HydrophobicContact CD2-CG 4.09Å; L43-L135 HydrophobicContact CG-CD2 4.2Å; L43-L135 HydrophobicContact CG-CG 4.25Å; Y80-L135 HydrophobicContact CD2-CD1 3.54Å; Y80-L135 HydrophobicContact CD2-CD2 4.02Å; Y80-L135 HydrophobicContact CD2-CG 4.42Å; Y80-L135 HydrophobicContact CE1-CD2 4.18Å; Y80-L135 HydrophobicContact CE2-CD1 3.57Å; Y80-L135 HydrophobicContact CE2-CD2 3.6Å; Y80-L135 HydrophobicContact CE2-CG 4.24Å; Y80-L135 HydrophobicContact CG-CD1 4.43Å; Y80-L135 HydrophobicContact CG-CD2 4.46Å; V87-L135 HydrophobicContact CG1-CD1 4.19Å; L135-R177 WeakPolarHBondContact CA-O 3.4Å; L135-C178 HydrophobicContact CD2-CB 3.95Å
136V90.5Very high82.7Confident1 Ų143.6 Ų43.61%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-131.2147.3175.9-62.30000110.8I134 A141 E176 R177 I179 I199I134-V136 HydrophobicContact CG2-CG1 3.85Å; V136-A141 HydrophobicContact CG2-CB 3.84Å; V136-E176 CarbonylContact O-C 3.6Å; V136-E176 WeakPolarHBondContact O-CA 3.26Å; V136-R177 PolarHBondContact N-O 3.22Å; V136-R177 PolarHBondContact O-N 3.12Å; V136-I179 HydrophobicContact CG1-CD1 4.11Å; V136-I179 HydrophobicContact CG2-CD1 3.84Å; V136-I179 HydrophobicContact CG2-CG1 3.94Å; V136-I199 HydrophobicContact CG1-CD1 3.96Å; V136-I199 HydrophobicContact CG1-CG1 4.21Å
137P89.6Confident85Confident17 Ų1747.5 Ų47.511%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-58.3156.8171.6-2737.1000113.4S139 T140 A141 L175P137-S139 PolarHBondContact O-N 3.2Å; P137-T140 PolarHBondContact O-N 3.46Å; P137-A141 WeakPolarHBondContact O-CB 3.48Å; P137-A141 PolarHBondContact O-N 3.32Å; P137-L175 CarbonylContact C-O 3.53Å; P137-L175 WeakPolarHBondContact CA-O 3.49Å
138N86.6Confident86.8Confident43 Ų4346.6 Ų46.623%0.2326%0.259CS..Hα-helixtrans-57.5-30.2179.1-90.2-86.7000114.1G142 L174 L175 R177N138-G142 PolarHBondContact O-N 2.85Å; N138-L174 PolarHBondContact ND2-O 3.33Å; N138-L175 PolarHBondContact N-O 2.87Å; N138-L175 PolarHBondContact ND2-O 2.97Å; N138-R177 VanDerWaalsContact OD1-CZ 3.3Å; N138-R177 PolarHBondContact OD1-NE 3.41Å; N138-R177 PolarHBondContact OD1-NH2 3.02Å
139S86.6Confident88.5Confident47 Ų4741.4 Ų41.433%0.32924%0.244SC..Hα-helixtrans-63.8-59.5173.71740000110.3P137 A141 G142 M143 D202P137-S139 PolarHBondContact O-N 3.2Å; S139-A141 VanDerWaalsContact C-N 3.29Å; S139-A141 PolarHBondContact O-N 3Å; S139-G142 WeakPolarHBondContact O-CA 3.41Å; S139-G142 PolarHBondContact O-N 3.09Å; S139-M143 PolarHBondContact O-N 2.86Å; S139-M143 VanDerWaalsContact O-N 3.15Å; S139-D202 PolarHBondContact OG-OD2 3.25Å; S139-D202 VanDerWaalsContact OG-OD2 3.04Å
140T90.8Very high90.3Very high0 Ų041.4 Ų41.40%025%0.252CS..Hα-helixtrans-60.3-37.7-178.3-30.50000111.6P137 G142 M143 V144 V198 I199 D202 S205P137-T140 PolarHBondContact O-N 3.46Å; T140-G142 VanDerWaalsContact C-N 3.3Å; T140-G142 PolarHBondContact O-N 3.19Å; T140-M143 PolarHBondContact O-N 3.18Å; T140-M143 VanDerWaalsContact O-N 3.14Å; T140-V144 WeakPolarHBondContact O-CG2 3.29Å; T140-V144 PolarHBondContact O-N 2.98Å; T140-V198 HydrophobicContact CG2-CG1 4.39Å; T140-I199 HydrophobicContact CG2-CB 4.41Å; T140-I199 HydrophobicContact CG2-CG1 3.9Å; T140-D202 WeakPolarHBondContact CA-OD2 3.42Å; T140-D202 WeakPolarHBondContact CB-OD2 3.36Å; T140-D202 HydrophobicContact CG2-CB 4.1Å; T140-D202 PolarHBondContact N-OD2 2.97Å; T140-D202 VanDerWaalsContact N-OD2 3.15Å; T140-D202 PolarHBondContact OG1-OD2 3.39Å; T140-S205 PolarHBondContact OG1-OG 2.91Å
141A91.3Very high91.3Very high0 Ų038 Ų380%024%0.236CC..Hα-helixtrans-57-40.9170.700000112.6V136 P137 S139 V144 I145 R177V136-A141 HydrophobicContact CG2-CB 3.84Å; P137-A141 WeakPolarHBondContact O-CB 3.48Å; P137-A141 PolarHBondContact O-N 3.32Å; S139-A141 VanDerWaalsContact C-N 3.29Å; S139-A141 PolarHBondContact O-N 3Å; A141-V144 PolarHBondContact O-N 2.76Å; A141-I145 WeakPolarHBondContact O-CD1 3.45Å; A141-I145 VanDerWaalsContact O-CG1 3.23Å; A141-I145 WeakPolarHBondContact O-CG1 3.2Å; A141-I145 PolarHBondContact O-N 3.07Å; A141-R177 HydrophobicContact CB-CB 4.41Å; A141-R177 HydrophobicContact CB-CG 4.44Å
142G91.5Very high91.8Very high36 Ų3638 Ų3837%0.37124%0.237SC..Hα-helixtrans-64.8-38.8175.400000112.6N138 S139 T140 I145 G146N138-G142 PolarHBondContact O-N 2.85Å; S139-G142 WeakPolarHBondContact O-CA 3.41Å; S139-G142 PolarHBondContact O-N 3.09Å; T140-G142 VanDerWaalsContact C-N 3.3Å; T140-G142 PolarHBondContact O-N 3.19Å; G142-I145 PolarHBondContact O-N 2.71Å; G142-G146 PolarHBondContact O-N 2.86Å
143M92.2Very high92Very high108 Ų10843.6 Ų43.653%0.53226%0.262SS..Hα-helixtrans-67.5-42.3175.3-66.9-64-69.700112.4S139 T140 I145 G146 V198S139-M143 PolarHBondContact O-N 2.86Å; S139-M143 VanDerWaalsContact O-N 3.15Å; T140-M143 PolarHBondContact O-N 3.18Å; T140-M143 VanDerWaalsContact O-N 3.14Å; M143-I145 VanDerWaalsContact C-N 3.33Å; M143-I145 PolarHBondContact O-N 3.04Å; M143-G146 PolarHBondContact O-N 3.44Å; M143-V198 HydrophobicContact CB-CG1 3.45Å; M143-V198 VanDerWaalsContact CB-CG1 3.45Å
144V93.8Very high92.2Very high0 Ų046.8 Ų46.80%028%0.277CS..Hα-helixtrans-67.4-31.3177.21780000112.1T140 A141 I152 I155 I165 I179 I195 V198T140-V144 WeakPolarHBondContact O-CG2 3.29Å; T140-V144 PolarHBondContact O-N 2.98Å; A141-V144 PolarHBondContact O-N 2.76Å; V144-I152 PolarHBondContact O-N 3.34Å; V144-I152 VanDerWaalsContact O-N 3.15Å; V144-I155 HydrophobicContact CG1-CD1 3.95Å; V144-I165 HydrophobicContact CG1-CD1 4.13Å; V144-I179 HydrophobicContact CB-CD1 4.31Å; V144-I179 HydrophobicContact CG1-CD1 3.91Å; V144-I179 HydrophobicContact CG2-CD1 4.36Å; V144-I195 HydrophobicContact CG1-CG1 4.18Å; V144-I195 HydrophobicContact CG2-CG2 4.36Å; V144-V198 HydrophobicContact CG2-CB 3.86Å; V144-V198 HydrophobicContact CG2-CG1 3.68Å; V144-V198 HydrophobicContact CG2-CG2 4.28Å
145I93.2Very high92.3Very high49 Ų4946.8 Ų46.825%0.25128%0.277SS..Hα-helixtrans-68.8-45.7169.8-65.4164.1000110.1A141 G142 M143 G149 S150 Y151 I152 I165A141-I145 WeakPolarHBondContact O-CD1 3.45Å; A141-I145 VanDerWaalsContact O-CG1 3.23Å; A141-I145 WeakPolarHBondContact O-CG1 3.2Å; A141-I145 PolarHBondContact O-N 3.07Å; G142-I145 PolarHBondContact O-N 2.71Å; M143-I145 VanDerWaalsContact C-N 3.33Å; M143-I145 PolarHBondContact O-N 3.04Å; I145-G149 CarbonylContact O-C 3.58Å; I145-G149 WeakPolarHBondContact O-CA 3.44Å; I145-S150 PolarHBondContact O-N 3.46Å; I145-Y151 PolarHBondContact O-N 2.68Å; I145-I152 HydrophobicContact CG2-CG2 4.32Å; I145-I152 PolarHBondContact O-N 3.15Å; I145-I165 HydrophobicContact CD1-CD1 4.44Å; I145-I165 HydrophobicContact CG1-CD1 3.74Å
146G92.1Very high92.4Very high22 Ų2250.2 Ų50.223%0.22729%0.292CS..  trans74.5176.4-173.700000113G142 M143 G148 G149G142-G146 PolarHBondContact O-N 2.86Å; M143-G146 PolarHBondContact O-N 3.44Å; G146-G148 PolarHBondContact O-N 3.18Å; G146-G149 PolarHBondContact O-N 3.03Å
147K93.2Very high92.6Very high196 Ų19657.7 Ų57.785%0.85233%0.327SS*.G310 helixtrans-68117.1-177.4-66.5177.2-177.1173.80109.5G149 S150K147-G149 PolarHBondContact O-N 3.04Å; K147-S150 WeakPolarHBondContact O-CB 3.37Å; K147-S150 PolarHBondContact O-N 3.5Å; K147-S150 PolarHBondContact O-OG 2.87Å
148G91.8Very high92.9Very high92 Ų9263.1 Ų63.195%0.94835%0.348SS*.G310 helixtrans68.213.3-177.500000115.2G146G146-G148 PolarHBondContact O-N 3.18Å
149G92.3Very high93.3Very high16 Ų1661.7 Ų61.717%0.16534%0.341CS..G310 helixtrans87.68.2-175.100000114.9I145 G146 K147 Y151 I152 Q153I145-G149 CarbonylContact O-C 3.58Å; I145-G149 WeakPolarHBondContact O-CA 3.44Å; G146-G149 PolarHBondContact O-N 3.03Å; K147-G149 PolarHBondContact O-N 3.04Å; G149-Y151 VanDerWaalsContact C-N 3.32Å; G149-Y151 PolarHBondContact O-N 2.73Å; G149-I152 WeakPolarHBondContact O-CG2 3.43Å; G149-I152 PolarHBondContact O-N 3.02Å; G149-Q153 WeakPolarHBondContact O-CB 3.39Å; G149-Q153 PolarHBondContact O-N 3.24Å
150S95.3Very high93.6Very high68 Ų6862 Ų6248%0.47635%0.352SS..Hα-helixtrans-56.4-41.5-17567.50000113.6I145 K147 Q153 E154I145-S150 PolarHBondContact O-N 3.46Å; K147-S150 WeakPolarHBondContact O-CB 3.37Å; K147-S150 PolarHBondContact O-N 3.5Å; K147-S150 PolarHBondContact O-OG 2.87Å; S150-Q153 PolarHBondContact O-N 3.5Å; S150-E154 WeakPolarHBondContact O-CB 3.24Å; S150-E154 PolarHBondContact O-N 3.18Å
151Y95.4Very high93.7Very high54 Ų5462.1 Ų62.121%0.21235%0.353CS..Hα-helixtrans-81.2-36.6-172.9-164-103.3000112.3I145 G149 Q153 E154 I155 V198I145-Y151 PolarHBondContact O-N 2.68Å; G149-Y151 VanDerWaalsContact C-N 3.32Å; G149-Y151 PolarHBondContact O-N 2.73Å; Y151-Q153 VanDerWaalsContact C-N 3.27Å; Y151-Q153 PolarHBondContact O-N 3.07Å; Y151-E154 WeakPolarHBondContact CD2-OE2 3.41Å; Y151-E154 WeakPolarHBondContact O-CB 3.31Å; Y151-E154 PolarHBondContact O-N 3.26Å; Y151-I155 HydrophobicContact CD1-CD1 3.71Å; Y151-I155 HydrophobicContact CD1-CG1 4.16Å; Y151-I155 HydrophobicContact CE1-CD1 3.65Å; Y151-I155 HydrophobicContact CE1-CG1 3.95Å; Y151-I155 VanDerWaalsContact O-CG1 3.31Å; Y151-I155 WeakPolarHBondContact O-CG1 3.41Å; Y151-I155 PolarHBondContact O-N 2.92Å; Y151-V198 HydrophobicContact CD1-CG2 4.1Å; Y151-V198 HydrophobicContact CE1-CG2 3.33Å
152I94.6Very high93.7Very high26 Ų2668.1 Ų68.113%0.13338%0.376CS..Hα-helixtrans-66.4-30.5170.9-175.4171.9000111.8V144 I145 G149 K156 V163 I165V144-I152 PolarHBondContact O-N 3.34Å; V144-I152 VanDerWaalsContact O-N 3.15Å; I145-I152 HydrophobicContact CG2-CG2 4.32Å; I145-I152 PolarHBondContact O-N 3.15Å; G149-I152 WeakPolarHBondContact O-CG2 3.43Å; G149-I152 PolarHBondContact O-N 3.02Å; I152-K156 VanDerWaalsContact O-CG 3.29Å; I152-K156 WeakPolarHBondContact O-CG 3.39Å; I152-K156 PolarHBondContact O-N 2.88Å; I152-V163 HydrophobicContact CD1-CG1 4.06Å; I152-V163 HydrophobicContact CG1-CB 4.34Å; I152-V163 HydrophobicContact CG1-CG1 4.11Å; I152-I165 HydrophobicContact CD1-CD1 3.84Å; I152-I165 HydrophobicContact CD1-CG1 3.88Å
153Q95.1Very high93.8Very high130 Ų13066.4 Ų66.461%0.60736%0.359SS*.Hα-helixtrans-69.2-45.4170.8-176.1169.8-15.700111.5G149 S150 Y151 I155 K156 E157G149-Q153 WeakPolarHBondContact O-CB 3.39Å; G149-Q153 PolarHBondContact O-N 3.24Å; S150-Q153 PolarHBondContact O-N 3.5Å; Y151-Q153 VanDerWaalsContact C-N 3.27Å; Y151-Q153 PolarHBondContact O-N 3.07Å; Q153-I155 PolarHBondContact O-N 3.31Å; Q153-K156 WeakPolarHBondContact O-CB 3.34Å; Q153-K156 PolarHBondContact O-N 3.34Å; Q153-K156 VanDerWaalsContact O-N 3.16Å; Q153-E157 PolarHBondContact O-N 3.2Å
154E95.2Very high93.8Very high71 Ų7163.2 Ų63.233%0.33234%0.342SS..Hα-helixtrans-58.2-42.4175.7-171.7-169.9150.700112.5S150 Y151 K156 E157 K158S150-E154 WeakPolarHBondContact O-CB 3.24Å; S150-E154 PolarHBondContact O-N 3.18Å; Y151-E154 WeakPolarHBondContact CD2-OE2 3.41Å; Y151-E154 WeakPolarHBondContact O-CB 3.31Å; Y151-E154 PolarHBondContact O-N 3.26Å; E154-K156 PolarHBondContact O-N 2.75Å; E154-E157 PolarHBondContact O-N 3.03Å; E154-K158 HydrophobicContact CG-CD 3.99Å; E154-K158 HydrophobicContact CG-CG 4.48Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.29Å; E154-K158 WeakPolarHBondContact OE1-CE 3.39Å; E154-K158 IonicContact OE1-NZ 3.34Å; E154-K158 PolarHBondContact OE1-NZ 2.9Å
155I95.3Very high93.6Very high1 Ų164.2 Ų64.21%0.00535%0.348CS..Hα-helixtrans-59.7-47.3174.8-66.9163.1000110.4V144 Y151 Q153 E157 K158 T159 V163 A191 L194 I195V144-I155 HydrophobicContact CG1-CD1 3.95Å; Y151-I155 HydrophobicContact CD1-CD1 3.71Å; Y151-I155 HydrophobicContact CD1-CG1 4.16Å; Y151-I155 HydrophobicContact CE1-CD1 3.65Å; Y151-I155 HydrophobicContact CE1-CG1 3.95Å; Y151-I155 VanDerWaalsContact O-CG1 3.31Å; Y151-I155 WeakPolarHBondContact O-CG1 3.41Å; Y151-I155 PolarHBondContact O-N 2.92Å; Q153-I155 PolarHBondContact O-N 3.31Å; I155-E157 PolarHBondContact O-N 2.95Å; I155-K158 PolarHBondContact O-N 2.81Å; I155-T159 HydrophobicContact CG2-CG2 4.39Å; I155-T159 WeakPolarHBondContact O-CB 3.31Å; I155-T159 WeakPolarHBondContact O-CG2 3.47Å; I155-T159 PolarHBondContact O-N 3.25Å; I155-T159 VanDerWaalsContact O-N 3.14Å; I155-T159 PolarHBondContact O-OG1 3.49Å; I155-V163 HydrophobicContact CG2-CG2 3.91Å; I155-A191 HydrophobicContact CG2-CB 4.08Å; I155-L194 HydrophobicContact CB-CD1 4.46Å; I155-L194 HydrophobicContact CG1-CB 4.12Å; I155-L194 HydrophobicContact CG1-CD1 4.18Å; I155-L194 HydrophobicContact CG2-CD1 4.36Å; I155-I195 HydrophobicContact CD1-CG1 4.12Å
156K93.9Very high93.3Very high78 Ų7862.6 Ų62.634%0.33934%0.341SS..Hα-helixtrans-60.5-46.8179.8-71.4170.4-179.8-167.70111.8I152 Q153 E154 T159 G160 V163I152-K156 VanDerWaalsContact O-CG 3.29Å; I152-K156 WeakPolarHBondContact O-CG 3.39Å; I152-K156 PolarHBondContact O-N 2.88Å; Q153-K156 WeakPolarHBondContact O-CB 3.34Å; Q153-K156 PolarHBondContact O-N 3.34Å; Q153-K156 VanDerWaalsContact O-N 3.16Å; E154-K156 PolarHBondContact O-N 2.75Å; K156-T159 PolarHBondContact O-N 2.93Å; K156-G160 WeakPolarHBondContact O-CA 3.4Å; K156-G160 PolarHBondContact O-N 3.45Å; K156-V163 WeakPolarHBondContact CE-O 3.32Å; K156-V163 HydrophobicContact CG-CB 4.2Å; K156-V163 HydrophobicContact CG-CG2 4.32Å; K156-V163 PolarHBondContact NZ-O 3.49Å
157E95.3Very high92.9Very high158 Ų15868.2 Ų68.274%0.73836%0.361SS*.Hα-helixtrans-64.4-44.5-179.2-171.8174.3170.700111.9Q153 E154 I155 T159Q153-E157 PolarHBondContact O-N 3.2Å; E154-E157 PolarHBondContact O-N 3.03Å; I155-E157 PolarHBondContact O-N 2.95Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.09Å
158K95.9Very high92.1Very high131 Ų13164.1 Ų64.157%0.5734%0.343SS*.Hα-helixtrans-70.9-20.8-180-74.8-178174.1177.40115E154 I155 L194E154-K158 HydrophobicContact CG-CD 3.99Å; E154-K158 HydrophobicContact CG-CG 4.48Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.29Å; E154-K158 WeakPolarHBondContact OE1-CE 3.39Å; E154-K158 IonicContact OE1-NZ 3.34Å; E154-K158 PolarHBondContact OE1-NZ 2.9Å; I155-K158 PolarHBondContact O-N 2.81Å; K158-L194 HydrophobicContact CB-CD1 4.27Å; K158-L194 HydrophobicContact CD-CD1 4.46Å
159T95Very high90.7Very high12 Ų1260.8 Ų60.87%0.07431%0.305CS..Hα-helixtrans-119.8-18.5-169.165.30000114.1I155 K156 E157 A161 Q187 A191 L194I155-T159 HydrophobicContact CG2-CG2 4.39Å; I155-T159 WeakPolarHBondContact O-CB 3.31Å; I155-T159 WeakPolarHBondContact O-CG2 3.47Å; I155-T159 PolarHBondContact O-N 3.25Å; I155-T159 VanDerWaalsContact O-N 3.14Å; I155-T159 PolarHBondContact O-OG1 3.49Å; K156-T159 PolarHBondContact O-N 2.93Å; E157-T159 VanDerWaalsContact C-N 3.31Å; E157-T159 PolarHBondContact O-N 3.09Å; T159-A161 PolarHBondContact O-N 2.85Å; T159-A161 WeakPolarHBondContact OG1-CB 3.29Å; T159-A161 PolarHBondContact OG1-N 3.09Å; T159-Q187 VanDerWaalsContact O-CB 3.27Å; T159-Q187 WeakPolarHBondContact O-CB 3.26Å; T159-Q187 VanDerWaalsContact O-CG 3.29Å; T159-Q187 WeakPolarHBondContact O-CG 3.29Å; T159-A191 HydrophobicContact CG2-CB 4.04Å; T159-L194 HydrophobicContact CG2-CD1 3.77Å
160G92.4Very high89.1Confident54 Ų5470.8 Ų70.856%0.55734%0.338SS*.  trans70.5-6.4-169.100000114.5K156K156-G160 WeakPolarHBondContact O-CA 3.4Å; K156-G160 PolarHBondContact O-N 3.45Å
161A92.8Very high87.2Confident2 Ų273.3 Ų73.32%0.01734%0.342CS..  trans-77.4141.2-175.100000112.4T159 V163 V181 Q187 A191T159-A161 PolarHBondContact O-N 2.85Å; T159-A161 WeakPolarHBondContact OG1-CB 3.29Å; T159-A161 PolarHBondContact OG1-N 3.09Å; A161-V163 PolarHBondContact O-N 3.06Å; A161-V181 HydrophobicContact CB-CG1 4.05Å; A161-Q187 HydrophobicContact CB-CB 4.26Å; A161-A191 HydrophobicContact CB-CB 3.87Å
162Y92.1Very high85.3Confident126 Ų12673.4 Ų73.449%0.49434%0.344SS..EExtended strand (participates in β ladder)trans-77.2100.3171.3-178.1-93.8000110.4Q164 V181 A182Y162-Q164 HydrophobicContact CE1-CB 3.84Å; Y162-Q164 PolarHBondContact OH-OE1 3.35Å; Y162-V181 WeakPolarHBondContact O-CA 3.43Å; Y162-A182 PolarHBondContact N-O 3.43Å; Y162-A182 PolarHBondContact O-N 2.97Å
163V93.2Very high83.7Confident0 Ų077.1 Ų77.10%036%0.364CS..EExtended strand (participates in β ladder)trans-97.8131.1176-172.80000111.5I152 I155 K156 A161 I179 V180 V181 A191I152-V163 HydrophobicContact CD1-CG1 4.06Å; I152-V163 HydrophobicContact CG1-CB 4.34Å; I152-V163 HydrophobicContact CG1-CG1 4.11Å; I155-V163 HydrophobicContact CG2-CG2 3.91Å; K156-V163 WeakPolarHBondContact CE-O 3.32Å; K156-V163 HydrophobicContact CG-CB 4.2Å; K156-V163 HydrophobicContact CG-CG2 4.32Å; K156-V163 PolarHBondContact NZ-O 3.49Å; A161-V163 PolarHBondContact O-N 3.06Å; V163-I179 HydrophobicContact CG1-CG2 3.74Å; V163-V180 CarbonylContact C-O 3.51Å; V163-V180 WeakPolarHBondContact CA-O 3.34Å; V163-V181 HydrophobicContact CG1-CG2 4.42Å; V163-V181 HydrophobicContact CG2-CG1 4.39Å; V163-V181 HydrophobicContact CG2-CG2 4.35Å; V163-A191 HydrophobicContact CG2-CB 4.47Å
164Q91.2Very high82.6Confident41 Ų4172 Ų7219%0.19234%0.341CS..EExtended strand (participates in β ladder)trans-139.7141.8176.8-168.5169.830.200110.3Y162 I179 V180 P225Y162-Q164 HydrophobicContact CE1-CB 3.84Å; Y162-Q164 PolarHBondContact OH-OE1 3.35Å; Q164-I179 CarbonylContact O-C 3.54Å; Q164-I179 WeakPolarHBondContact O-CA 3.14Å; Q164-V180 PolarHBondContact N-O 2.94Å; Q164-V180 PolarHBondContact O-N 2.84Å; Q164-P225 HydrophobicContact CG-CG 4.03Å
165I91.2Very high81.8Confident22 Ų2274.1 Ų74.111%0.11335%0.354CS..EExtended strand (participates in β ladder)trans-120136.6-177.4-57.2-176.1000109V144 I145 I152 R177 C178 I179V144-I165 HydrophobicContact CG1-CD1 4.13Å; I145-I165 HydrophobicContact CD1-CD1 4.44Å; I145-I165 HydrophobicContact CG1-CD1 3.74Å; I152-I165 HydrophobicContact CD1-CD1 3.84Å; I152-I165 HydrophobicContact CD1-CG1 3.88Å; I165-R177 HydrophobicContact CG2-CB 4.39Å; I165-C178 WeakPolarHBondContact CA-O 3.02Å; I165-I179 HydrophobicContact CD1-CD1 3.98Å; I165-I179 HydrophobicContact CD1-CG1 4.12Å; I165-I179 HydrophobicContact CG1-CB 4.33Å; I165-I179 HydrophobicContact CG1-CD1 4.32Å; I165-I179 HydrophobicContact CG1-CG1 3.94Å; I165-I179 HydrophobicContact CG1-CG2 4.04Å; I165-I179 HydrophobicContact CG2-CG1 4.44Å
166S85.9Confident81.5Confident15 Ų1574.4 Ų74.411%0.10536%0.355CS..  trans-61.3144.4177.873.20000111.1R177 C178S166-R177 WeakPolarHBondContact O-CD 3.49Å; S166-R177 WeakPolarHBondContact OG-CB 3.28Å; S166-C178 PolarHBondContact N-O 3.11Å; S166-C178 PolarHBondContact OG-N 3.48Å
167Q83.1Confident81.2Confident139 Ų13972.9 Ų72.965%0.6535%0.347SS*.  trans-69.4155.3178.5-59-16921.500110.7S169 P225Q167-S169 PolarHBondContact O-N 2.85Å; Q167-P225 HydrophobicContact CG-CB 4.44Å
168K76.8Confident80.9Confident111 Ų11165.3 Ų65.348%0.48331%0.312SS..  trans-77.9107.1170.3-165.8-164.1172.9-170.10108.8N173K168-N173 WeakPolarHBondContact CE-OD1 3.4Å; K168-N173 PolarHBondContact NZ-OD1 3.38Å
169S63Low80.7Confident22 Ų2259.1 Ų59.115%0.15429%0.285CS..  trans-56.5139.3166.935.50000111Q167 F172Q167-S169 PolarHBondContact O-N 2.85Å; S169-F172 WeakPolarHBondContact CB-O 3.37Å; S169-F172 PolarHBondContact OG-O 3.05Å
170R58.8Low80.6Confident225 Ų22558.7 Ų58.785%0.84928%0.283SS*.SBendtrans-88.1-42.9176.6-67.6-177.7-179.7179.10.3111.3
171E53.8Low80.6Confident122 Ų12256.1 Ų56.157%0.5726%0.256SS*.SBendtrans-67.7-36.5176.1-62.1100.5-77.800113.5Y230E171-Y230 PolarHBondContact OE2-OH 3.16Å; E171-Y230 VanDerWaalsContact OE2-OH 3.05Å
172F57.3Low80.5Confident55 Ų5556.7 Ų56.724%0.24126%0.26CS..  trans-113.8107.5-178.5-60.7-80.4000111.1S169 L174 P219S169-F172 WeakPolarHBondContact CB-O 3.37Å; S169-F172 PolarHBondContact OG-O 3.05Å; F172-L174 PolarHBondContact O-N 2.93Å; F172-P219 WeakPolarHBondContact CD2-O 3.35Å; F172-P219 HydrophobicContact CE2-CG 4Å; F172-P219 WeakPolarHBondContact CE2-O 3.26Å; F172-P219 HydrophobicContact CZ-CG 4.17Å
173N60.9Low80.4Confident105 Ų10551.9 Ų51.956%0.56125%0.249SC*.  trans-81.462.4173.8-76.2-76.6000111.6K168 L175K168-N173 WeakPolarHBondContact CE-OD1 3.4Å; K168-N173 PolarHBondContact NZ-OD1 3.38Å; N173-L175 PolarHBondContact O-N 3.04Å
174L71.7Confident80.2Confident23 Ų2357.7 Ų57.712%0.1228%0.276CS..  trans-54.8120.8160.5-80.2166.5000108.5N138 F172 E176 Y213 I216 V220N138-L174 PolarHBondContact ND2-O 3.33Å; F172-L174 PolarHBondContact O-N 2.93Å; L174-E176 PolarHBondContact O-N 3.48Å; L174-Y213 HydrophobicContact CD2-CE1 4.44Å; L174-I216 HydrophobicContact CD2-CD1 3.56Å; L174-V220 HydrophobicContact CD1-CG1 3.66Å; L174-V220 HydrophobicContact CD1-CG2 4.43Å
175L78.8Confident80.1Confident114 Ų11457.6 Ų57.660%0.59728%0.277SS*.SBendtrans-68.6-15.7179.6-62.7178.9000112.4P137 N138 N173P137-L175 CarbonylContact C-O 3.53Å; P137-L175 WeakPolarHBondContact CA-O 3.49Å; N138-L175 PolarHBondContact N-O 2.87Å; N138-L175 PolarHBondContact ND2-O 2.97Å; N173-L175 PolarHBondContact O-N 3.04Å
176E87.3Confident80.2Confident8 Ų861.1 Ų61.14%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-117.4154.8-179.5-65.8165.6-13400111.5K41 V136 L174 C208 Y213K41-E176 VanDerWaalsContact CD-OE2 3.26Å; K41-E176 WeakPolarHBondContact CD-OE2 3.46Å; K41-E176 IonicContact NZ-OE1 3.88Å; K41-E176 PolarHBondContact NZ-OE1 2.84Å; K41-E176 IonicContact NZ-OE2 3.54Å; K41-E176 PolarHBondContact NZ-OE2 2.72Å; V136-E176 CarbonylContact O-C 3.6Å; V136-E176 WeakPolarHBondContact O-CA 3.26Å; L174-E176 PolarHBondContact O-N 3.48Å; E176-C208 HydrophobicContact CG-CB 4.1Å; E176-C208 WeakPolarHBondContact OE1-CB 3.4Å; E176-Y213 PolarHBondContact OE1-OH 3.15Å; E176-Y213 PolarHBondContact OE2-OH 3.44Å
177R87.9Confident80.5Confident45 Ų4563.5 Ų63.517%0.1731%0.306CS..EExtended strand (participates in β ladder)trans-123.7153.9171.1-60.7-167.5-158.516312.4110.1L135 V136 N138 A141 I165 S166L135-R177 WeakPolarHBondContact CA-O 3.4Å; V136-R177 PolarHBondContact N-O 3.22Å; V136-R177 PolarHBondContact O-N 3.12Å; N138-R177 VanDerWaalsContact OD1-CZ 3.3Å; N138-R177 PolarHBondContact OD1-NE 3.41Å; N138-R177 PolarHBondContact OD1-NH2 3.02Å; A141-R177 HydrophobicContact CB-CB 4.41Å; A141-R177 HydrophobicContact CB-CG 4.44Å; I165-R177 HydrophobicContact CG2-CB 4.39Å; S166-R177 WeakPolarHBondContact O-CD 3.49Å; S166-R177 WeakPolarHBondContact OG-CB 3.28Å
178C89Confident81Confident0 Ų057.2 Ų57.20%028%0.276CS..EExtended strand (participates in β ladder)trans-92.5130.7174.1-168.20000110.7I134 L135 I165 S166 V223I134-C178 CarbonylContact O-C 3.59Å; I134-C178 WeakPolarHBondContact O-CA 3.44Å; L135-C178 HydrophobicContact CD2-CB 3.95Å; I165-C178 WeakPolarHBondContact CA-O 3.02Å; S166-C178 PolarHBondContact N-O 3.11Å; S166-C178 PolarHBondContact OG-N 3.48Å; C178-V223 HydrophobicContact CB-CG1 4Å; C178-V223 HydrophobicContact CB-CG2 4.22Å
179I93Very high81.8Confident0 Ų055.1 Ų55.10%027%0.265CS..EExtended strand (participates in β ladder)trans-100.8117.5165.4-50.1-169.1000107.3K133 I134 V136 V144 V163 Q164 I165 V181 I195K133-I179 CarbonylContact C-O 3.57Å; K133-I179 WeakPolarHBondContact CA-O 3.48Å; I134-I179 PolarHBondContact N-O 3.12Å; I134-I179 PolarHBondContact O-N 2.98Å; V136-I179 HydrophobicContact CG1-CD1 4.11Å; V136-I179 HydrophobicContact CG2-CD1 3.84Å; V136-I179 HydrophobicContact CG2-CG1 3.94Å; V144-I179 HydrophobicContact CB-CD1 4.31Å; V144-I179 HydrophobicContact CG1-CD1 3.91Å; V144-I179 HydrophobicContact CG2-CD1 4.36Å; V163-I179 HydrophobicContact CG1-CG2 3.74Å; Q164-I179 CarbonylContact O-C 3.54Å; Q164-I179 WeakPolarHBondContact O-CA 3.14Å; I165-I179 HydrophobicContact CD1-CD1 3.98Å; I165-I179 HydrophobicContact CD1-CG1 4.12Å; I165-I179 HydrophobicContact CG1-CB 4.33Å; I165-I179 HydrophobicContact CG1-CD1 4.32Å; I165-I179 HydrophobicContact CG1-CG1 3.94Å; I165-I179 HydrophobicContact CG1-CG2 4.04Å; I165-I179 HydrophobicContact CG2-CG1 4.44Å; I179-V181 HydrophobicContact CG2-CG2 4.04Å; I179-I195 HydrophobicContact CD1-CG2 4.24Å; I179-I195 HydrophobicContact CG2-CD1 4.11Å
180V92.2Very high83.3Confident4 Ų456.6 Ų56.62%0.02428%0.276CS..EExtended strand (participates in β ladder)trans-90.3128.8168.3-167.60000108.2Q131 V132 K133 V163 Q164 V223Q131-V180 HydrophobicContact CB-CG1 4.25Å; V132-V180 CarbonylContact O-C 3.58Å; V132-V180 WeakPolarHBondContact O-CA 3.25Å; K133-V180 HydrophobicContact CG-CG1 4.4Å; K133-V180 HydrophobicContact CG-CG2 4.27Å; V163-V180 CarbonylContact C-O 3.51Å; V163-V180 WeakPolarHBondContact CA-O 3.34Å; Q164-V180 PolarHBondContact N-O 2.94Å; Q164-V180 PolarHBondContact O-N 2.84Å; V180-V223 HydrophobicContact CG2-CG1 3.93Å
181V93.4Very high85Confident0 Ų045.9 Ų45.90%024%0.235CC..EExtended strand (participates in β ladder)trans-122.9118.5173.4-178.10000107.1Q131 V132 A161 Y162 V163 I179 T188 A191 I195Q131-V181 CarbonylContact C-O 3.55Å; Q131-V181 VanDerWaalsContact CA-O 3.27Å; Q131-V181 WeakPolarHBondContact CA-O 3.24Å; V132-V181 PolarHBondContact N-O 2.93Å; V132-V181 PolarHBondContact O-N 2.81Å; A161-V181 HydrophobicContact CB-CG1 4.05Å; Y162-V181 WeakPolarHBondContact O-CA 3.43Å; V163-V181 HydrophobicContact CG1-CG2 4.42Å; V163-V181 HydrophobicContact CG2-CG1 4.39Å; V163-V181 HydrophobicContact CG2-CG2 4.35Å; I179-V181 HydrophobicContact CG2-CG2 4.04Å; V181-T188 HydrophobicContact CG1-CG2 3.98Å; V181-A191 HydrophobicContact CG1-CB 3.77Å; V181-I195 HydrophobicContact CG2-CD1 3.82Å
182A90.5Very high86.9Confident13 Ų1340.1 Ų40.111%0.10721%0.209CC..EExtended strand (participates in β ladder)trans-124.8143.3178.200000111.1K130 Q131 Y162K130-A182 WeakPolarHBondContact O-CA 3.35Å; Q131-A182 HydrophobicContact CB-CB 3.81Å; Y162-A182 PolarHBondContact N-O 3.43Å; Y162-A182 PolarHBondContact O-N 2.97Å
183G88.8Confident88.6Confident25 Ų2541.2 Ų41.226%0.25821%0.214SC..SBendtrans163.8-157.3-179.600000112.6K130K130-G183 PolarHBondContact O-N 3.31Å
184E89.8Confident90.2Very high123 Ų12337.8 Ų37.858%0.57520%0.196SC*.  trans-74161.7166.9-170.2154.1-130.300111.3D186 Q187 T188E184-D186 PolarHBondContact O-N 3.43Å; E184-Q187 HydrophobicContact CB-CB 4.33Å; E184-Q187 HydrophobicContact CB-CG 3.91Å; E184-Q187 PolarHBondContact O-N 2.7Å; E184-T188 VanDerWaalsContact O-CB 3.24Å; E184-T188 WeakPolarHBondContact O-CB 3.4Å; E184-T188 PolarHBondContact O-N 3.33Å; E184-T188 PolarHBondContact O-OG1 2.79Å
185L89.6Confident91.3Very high38 Ų3836.7 Ų36.720%0.19919%0.19CC..Hα-helixtrans-56.4-47.1-176.817853.5000111.9M105 M109 T188 R189M105-L185 HydrophobicContact CB-CD1 4.21Å; M109-L185 HydrophobicContact CE-CB 4.17Å; M109-L185 HydrophobicContact CE-CD2 4.5Å; M109-L185 HydrophobicContact SD-CB 3.95Å; M109-L185 HydrophobicContact SD-CD1 3.8Å; M109-L185 HydrophobicContact SD-CD2 4.25Å; M109-L185 HydrophobicContact SD-CG 4.21Å; L185-T188 PolarHBondContact O-N 2.95Å; L185-R189 HydrophobicContact CD1-CG 4.17Å; L185-R189 WeakPolarHBondContact O-CB 3.4Å; L185-R189 WeakPolarHBondContact O-CG 3.39Å; L185-R189 PolarHBondContact O-N 2.88Å
186D92Very high92Very high97 Ų9731.3 Ų31.352%0.51916%0.162SC..Hα-helixtrans-77.5-33.2-176.5-58.8-49.5000112.9E184 T188 R189 S190E184-D186 PolarHBondContact O-N 3.43Å; D186-T188 VanDerWaalsContact C-N 3.31Å; D186-T188 PolarHBondContact O-N 3.13Å; D186-R189 PolarHBondContact O-N 3.12Å; D186-R189 IonicContact OD1-CZ 3.15Å; D186-R189 IonicContact OD1-NH1 3.84Å; D186-R189 PolarHBondContact OD1-NH1 3.49Å; D186-S190 VanDerWaalsContact O-CB 3.3Å; D186-S190 WeakPolarHBondContact O-CB 3.49Å; D186-S190 PolarHBondContact O-N 3.35Å
187Q93.6Very high92.2Very high65 Ų6533.6 Ų33.630%0.30417%0.174SC..Hα-helixtrans-57.7-46.8168.1-62.9174.9-8.500110.7T159 A161 E184 S190 A191T159-Q187 VanDerWaalsContact O-CB 3.27Å; T159-Q187 WeakPolarHBondContact O-CB 3.26Å; T159-Q187 VanDerWaalsContact O-CG 3.29Å; T159-Q187 WeakPolarHBondContact O-CG 3.29Å; A161-Q187 HydrophobicContact CB-CB 4.26Å; E184-Q187 HydrophobicContact CB-CB 4.33Å; E184-Q187 HydrophobicContact CB-CG 3.91Å; E184-Q187 PolarHBondContact O-N 2.7Å; Q187-S190 PolarHBondContact O-N 3.16Å; Q187-A191 WeakPolarHBondContact O-CB 3.41Å; Q187-A191 PolarHBondContact O-N 3.39Å
188T92.3Very high92.4Very high6 Ų632.1 Ų32.14%0.03717%0.17CC..Hα-helixtrans-67-46.4-179.4-59.50000111.5V132 V181 E184 L185 D186 S190 A191 V192V132-T188 HydrophobicContact CB-CG2 4.03Å; V132-T188 HydrophobicContact CG2-CG2 3.43Å; V132-T188 VanDerWaalsContact CG2-CG2 3.43Å; V181-T188 HydrophobicContact CG1-CG2 3.98Å; E184-T188 VanDerWaalsContact O-CB 3.24Å; E184-T188 WeakPolarHBondContact O-CB 3.4Å; E184-T188 PolarHBondContact O-N 3.33Å; E184-T188 PolarHBondContact O-OG1 2.79Å; L185-T188 PolarHBondContact O-N 2.95Å; D186-T188 VanDerWaalsContact C-N 3.31Å; D186-T188 PolarHBondContact O-N 3.13Å; T188-S190 VanDerWaalsContact C-N 3.31Å; T188-S190 PolarHBondContact O-N 3.01Å; T188-A191 PolarHBondContact O-N 2.84Å; T188-V192 WeakPolarHBondContact O-CG2 3.32Å; T188-V192 PolarHBondContact O-N 3.34Å
189R93.4Very high92.5Very high67 Ų6732.5 Ų32.525%0.25317%0.172SC..Hα-helixtrans-56.3-45173.6-73.5165169.9177.3-7.9111.4D106 L185 D186 V192 H193D106-R189 IonicContact OD1-CZ 2.76Å; D106-R189 IonicContact OD1-NE 3.57Å; D106-R189 IonicContact OD1-NH2 3.42Å; D106-R189 PolarHBondContact OD1-NH2 3.45Å; D106-R189 IonicContact OD2-NH2 3.7Å; D106-R189 PolarHBondContact OD2-NH2 3.32Å; L185-R189 HydrophobicContact CD1-CG 4.17Å; L185-R189 WeakPolarHBondContact O-CB 3.4Å; L185-R189 WeakPolarHBondContact O-CG 3.39Å; L185-R189 PolarHBondContact O-N 2.88Å; D186-R189 PolarHBondContact O-N 3.12Å; D186-R189 IonicContact OD1-CZ 3.15Å; D186-R189 IonicContact OD1-NH1 3.84Å; D186-R189 PolarHBondContact OD1-NH1 3.49Å; R189-V192 PolarHBondContact O-N 2.79Å; R189-H193 WeakPolarHBondContact O-CB 3.19Å; R189-H193 PolarHBondContact O-N 2.9Å
190S94.6Very high92.4Very high53 Ų5335 Ų3537%0.37119%0.193SC..Hα-helixtrans-63.7-43.9177.2-169.50000112.5D186 Q187 T188 V192 H193 L194D186-S190 VanDerWaalsContact O-CB 3.3Å; D186-S190 WeakPolarHBondContact O-CB 3.49Å; D186-S190 PolarHBondContact O-N 3.35Å; Q187-S190 PolarHBondContact O-N 3.16Å; T188-S190 VanDerWaalsContact C-N 3.31Å; T188-S190 PolarHBondContact O-N 3.01Å; S190-V192 PolarHBondContact O-N 2.85Å; S190-H193 WeakPolarHBondContact O-CB 3.31Å; S190-H193 PolarHBondContact O-N 2.95Å; S190-L194 PolarHBondContact O-N 2.77Å; S190-L194 VanDerWaalsContact O-N 3.12Å
191A94.8Very high92.2Very high0 Ų039.9 Ų39.90%022%0.223CC..Hα-helixtrans-63.1-41.7175.500000113I155 T159 A161 V163 V181 Q187 T188 L194 I195I155-A191 HydrophobicContact CG2-CB 4.08Å; T159-A191 HydrophobicContact CG2-CB 4.04Å; A161-A191 HydrophobicContact CB-CB 3.87Å; V163-A191 HydrophobicContact CG2-CB 4.47Å; V181-A191 HydrophobicContact CG1-CB 3.77Å; Q187-A191 WeakPolarHBondContact O-CB 3.41Å; Q187-A191 PolarHBondContact O-N 3.39Å; T188-A191 PolarHBondContact O-N 2.84Å; A191-L194 PolarHBondContact O-N 3.09Å; A191-I195 WeakPolarHBondContact O-CD1 3.44Å; A191-I195 VanDerWaalsContact O-CG1 3.31Å; A191-I195 WeakPolarHBondContact O-CG1 3.49Å; A191-I195 PolarHBondContact O-N 3.39Å
192V94Very high91.8Very high1 Ų140.8 Ų40.81%0.00623%0.228CC..Hα-helixtrans-69.2-33.8176.51780000111.8I134 T188 R189 S190 L194 I195 L196I134-V192 HydrophobicContact CD1-CB 4.15Å; I134-V192 HydrophobicContact CD1-CG1 3.56Å; I134-V192 HydrophobicContact CD1-CG2 3.56Å; T188-V192 WeakPolarHBondContact O-CG2 3.32Å; T188-V192 PolarHBondContact O-N 3.34Å; R189-V192 PolarHBondContact O-N 2.79Å; S190-V192 PolarHBondContact O-N 2.85Å; V192-L194 PolarHBondContact O-N 3.04Å; V192-I195 PolarHBondContact O-N 2.83Å; V192-L196 HydrophobicContact CG1-CD1 3.99Å; V192-L196 HydrophobicContact CG1-CG 4.28Å; V192-L196 WeakPolarHBondContact O-CB 3.44Å; V192-L196 WeakPolarHBondContact O-CG 3.16Å; V192-L196 PolarHBondContact O-N 2.94Å
193H94.1Very high91Very high78 Ų7845.8 Ų45.836%0.36126%0.259SS..Hα-helixtrans-60-43.1171.9-173.9-92.9000112.3F94 R189 S190 L196 N197F94-H193 AromaticContact CE1-NE2 3.82Å; F94-H193 AromaticContact CZ-NE2 3.9Å; R189-H193 WeakPolarHBondContact O-CB 3.19Å; R189-H193 PolarHBondContact O-N 2.9Å; S190-H193 WeakPolarHBondContact O-CB 3.31Å; S190-H193 PolarHBondContact O-N 2.95Å; H193-L196 PolarHBondContact O-N 2.67Å; H193-N197 PolarHBondContact O-N 3.11Å; H193-N197 VanDerWaalsContact O-N 3.14Å; H193-N197 PolarHBondContact O-ND2 3.33Å; H193-N197 VanDerWaalsContact O-ND2 3.11Å
194L94.2Very high90.1Very high33 Ų3349.6 Ų49.617%0.17327%0.27CS..Hα-helixtrans-65.8-40.8174.3-65.7179.5000112.5I155 K158 T159 S190 A191 V192 L196 N197 V198I155-L194 HydrophobicContact CB-CD1 4.46Å; I155-L194 HydrophobicContact CG1-CB 4.12Å; I155-L194 HydrophobicContact CG1-CD1 4.18Å; I155-L194 HydrophobicContact CG2-CD1 4.36Å; K158-L194 HydrophobicContact CB-CD1 4.27Å; K158-L194 HydrophobicContact CD-CD1 4.46Å; T159-L194 HydrophobicContact CG2-CD1 3.77Å; S190-L194 PolarHBondContact O-N 2.77Å; S190-L194 VanDerWaalsContact O-N 3.12Å; A191-L194 PolarHBondContact O-N 3.09Å; V192-L194 PolarHBondContact O-N 3.04Å; L194-L196 VanDerWaalsContact C-N 3.35Å; L194-N197 PolarHBondContact O-N 2.73Å; L194-V198 PolarHBondContact O-N 2.9Å
195I94Very high89.2Confident0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-64.2-40.4175.7-67.4162.6000110.9V144 I155 I179 V181 A191 V192 N197 V198 I199V144-I195 HydrophobicContact CG1-CG1 4.18Å; V144-I195 HydrophobicContact CG2-CG2 4.36Å; I155-I195 HydrophobicContact CD1-CG1 4.12Å; I179-I195 HydrophobicContact CD1-CG2 4.24Å; I179-I195 HydrophobicContact CG2-CD1 4.11Å; V181-I195 HydrophobicContact CG2-CD1 3.82Å; A191-I195 WeakPolarHBondContact O-CD1 3.44Å; A191-I195 VanDerWaalsContact O-CG1 3.31Å; A191-I195 WeakPolarHBondContact O-CG1 3.49Å; A191-I195 PolarHBondContact O-N 3.39Å; V192-I195 PolarHBondContact O-N 2.83Å; I195-N197 VanDerWaalsContact C-N 3.35Å; I195-N197 PolarHBondContact O-N 2.69Å; I195-V198 PolarHBondContact O-N 2.91Å; I195-V198 VanDerWaalsContact O-N 3.13Å; I195-I199 HydrophobicContact CG2-CD1 3.91Å; I195-I199 HydrophobicContact CG2-CG1 4.42Å; I195-I199 WeakPolarHBondContact O-CG1 3.44Å; I195-I199 PolarHBondContact O-N 2.73Å
196L93Very high88.2Confident1 Ų144.8 Ų44.81%0.00526%0.256CS..Hα-helixtrans-63.1-36.4177-87167.7000113.1V38 L40 F94 V97 I98 V192 H193 L194 V198 I199 A200V38-L196 HydrophobicContact CG1-CD2 4.16Å; L40-L196 HydrophobicContact CB-CD2 4.19Å; L40-L196 HydrophobicContact CD1-CD2 4.04Å; L40-L196 HydrophobicContact CD2-CD1 4.34Å; L40-L196 HydrophobicContact CD2-CD2 4.15Å; L40-L196 HydrophobicContact CG-CD2 4.35Å; F94-L196 HydrophobicContact CE2-CB 3.95Å; V97-L196 HydrophobicContact CG1-CD1 4.24Å; V97-L196 HydrophobicContact CG1-CD2 3.76Å; I98-L196 HydrophobicContact CG1-CD1 3.7Å; V192-L196 HydrophobicContact CG1-CD1 3.99Å; V192-L196 HydrophobicContact CG1-CG 4.28Å; V192-L196 WeakPolarHBondContact O-CB 3.44Å; V192-L196 WeakPolarHBondContact O-CG 3.16Å; V192-L196 PolarHBondContact O-N 2.94Å; H193-L196 PolarHBondContact O-N 2.67Å; L194-L196 VanDerWaalsContact C-N 3.35Å; L196-V198 VanDerWaalsContact C-N 3.27Å; L196-V198 PolarHBondContact O-N 2.84Å; L196-I199 HydrophobicContact CD2-CD1 4.28Å; L196-I199 PolarHBondContact O-N 3.27Å; L196-A200 WeakPolarHBondContact O-CB 3.32Å; L196-A200 PolarHBondContact O-N 3.03Å
197N92.8Very high86.8Confident56 Ų5643.9 Ų43.930%0.29926%0.257SS..Hα-helixtrans-59.3-39.4172.6-75.1-48.7000111.8F94 H193 L194 I195 T201F94-N197 WeakPolarHBondContact CZ-OD1 3.43Å; H193-N197 PolarHBondContact O-N 3.11Å; H193-N197 VanDerWaalsContact O-N 3.14Å; H193-N197 PolarHBondContact O-ND2 3.33Å; H193-N197 VanDerWaalsContact O-ND2 3.11Å; L194-N197 PolarHBondContact O-N 2.73Å; I195-N197 VanDerWaalsContact C-N 3.35Å; I195-N197 PolarHBondContact O-N 2.69Å; N197-T201 WeakPolarHBondContact O-CB 3.49Å; N197-T201 PolarHBondContact O-N 3.44Å; N197-T201 PolarHBondContact O-OG1 3.4Å
198V92Very high85.2Confident14 Ų1441.5 Ų41.59%0.08525%0.248CC..Hα-helixtrans-69.8-41.1175.8-178.10000111.6T140 M143 V144 Y151 L194 I195 L196 A200 T201 D202T140-V198 HydrophobicContact CG2-CG1 4.39Å; M143-V198 HydrophobicContact CB-CG1 3.45Å; M143-V198 VanDerWaalsContact CB-CG1 3.45Å; V144-V198 HydrophobicContact CG2-CB 3.86Å; V144-V198 HydrophobicContact CG2-CG1 3.68Å; V144-V198 HydrophobicContact CG2-CG2 4.28Å; Y151-V198 HydrophobicContact CD1-CG2 4.1Å; Y151-V198 HydrophobicContact CE1-CG2 3.33Å; L194-V198 PolarHBondContact O-N 2.9Å; I195-V198 PolarHBondContact O-N 2.91Å; I195-V198 VanDerWaalsContact O-N 3.13Å; L196-V198 VanDerWaalsContact C-N 3.27Å; L196-V198 PolarHBondContact O-N 2.84Å; V198-A200 VanDerWaalsContact C-N 3.32Å; V198-A200 PolarHBondContact O-N 2.63Å; V198-T201 PolarHBondContact O-N 2.87Å; V198-D202 PolarHBondContact O-N 2.91Å
199I91.3Very high84.1Confident9 Ų944.4 Ų44.45%0.04627%0.267CS..Hα-helixtrans-59.7-43.6175.5-65.2167.9000110.6V38 Q39 L40 V136 T140 I195 L196 T201 D202 S205V38-I199 HydrophobicContact CG1-CG2 3.99Å; Q39-I199 WeakPolarHBondContact O-CG2 3.36Å; L40-I199 HydrophobicContact CD1-CD1 3.91Å; V136-I199 HydrophobicContact CG1-CD1 3.96Å; V136-I199 HydrophobicContact CG1-CG1 4.21Å; T140-I199 HydrophobicContact CG2-CB 4.41Å; T140-I199 HydrophobicContact CG2-CG1 3.9Å; I195-I199 HydrophobicContact CG2-CD1 3.91Å; I195-I199 HydrophobicContact CG2-CG1 4.42Å; I195-I199 WeakPolarHBondContact O-CG1 3.44Å; I195-I199 PolarHBondContact O-N 2.73Å; L196-I199 HydrophobicContact CD2-CD1 4.28Å; L196-I199 PolarHBondContact O-N 3.27Å; I199-T201 VanDerWaalsContact C-N 3.33Å; I199-T201 PolarHBondContact O-N 3.15Å; I199-D202 PolarHBondContact O-N 2.75Å; I199-S205 WeakPolarHBondContact O-CB 3.27Å; I199-S205 PolarHBondContact O-OG 3.26Å
200A89.3Confident83Confident52 Ų5245.3 Ų45.343%0.4328%0.277SS..Hα-helixtrans-68.9-28.2176.900000113.4V38 F94 L196 V198V38-A200 HydrophobicContact CG2-CB 3.8Å; F94-A200 HydrophobicContact CD2-CB 4.2Å; L196-A200 WeakPolarHBondContact O-CB 3.32Å; L196-A200 PolarHBondContact O-N 3.03Å; V198-A200 VanDerWaalsContact C-N 3.32Å; V198-A200 PolarHBondContact O-N 2.63Å
201T88.8Confident81.8Confident106 Ų10643.5 Ų43.565%0.6526%0.263SS*.Hα-helixtrans-78.3-26.5176.9-560000112.8N197 V198 I199 P203N197-T201 WeakPolarHBondContact O-CB 3.49Å; N197-T201 PolarHBondContact O-N 3.44Å; N197-T201 PolarHBondContact O-OG1 3.4Å; V198-T201 PolarHBondContact O-N 2.87Å; I199-T201 VanDerWaalsContact C-N 3.33Å; I199-T201 PolarHBondContact O-N 3.15Å; T201-P203 VanDerWaalsContact O-CD 3.31Å; T201-P203 WeakPolarHBondContact O-CD 3.19Å
202D85.8Confident80.6Confident19 Ų1945.8 Ų45.810%0.10228%0.279CS..  trans-91.1107.5178.7-179.28.4000111.6S139 T140 V198 I199 Q204 S205S139-D202 PolarHBondContact OG-OD2 3.25Å; S139-D202 VanDerWaalsContact OG-OD2 3.04Å; T140-D202 WeakPolarHBondContact CA-OD2 3.42Å; T140-D202 WeakPolarHBondContact CB-OD2 3.36Å; T140-D202 HydrophobicContact CG2-CB 4.1Å; T140-D202 PolarHBondContact N-OD2 2.97Å; T140-D202 VanDerWaalsContact N-OD2 3.15Å; T140-D202 PolarHBondContact OG1-OD2 3.39Å; V198-D202 PolarHBondContact O-N 2.91Å; I199-D202 PolarHBondContact O-N 2.75Å; D202-Q204 PolarHBondContact O-N 3.03Å; D202-Q204 VanDerWaalsContact O-N 3.11Å; D202-Q204 WeakPolarHBondContact OD1-CA 3Å; D202-Q204 VanDerWaalsContact OD1-CB 3.32Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.18Å; D202-Q204 PolarHBondContact OD1-N 2.81Å; D202-S205 VanDerWaalsContact O-CB 3.25Å; D202-S205 WeakPolarHBondContact O-CB 3.28Å; D202-S205 PolarHBondContact O-N 3.29Å; D202-S205 PolarHBondContact O-OG 2.86Å
203P73.8Confident79.6Confident118 Ų11846.7 Ų46.777%0.76628%0.282SS*.G310 helixtrans-65.4-14.8177.528.9-36000113T201 S205T201-P203 VanDerWaalsContact O-CD 3.31Å; T201-P203 WeakPolarHBondContact O-CD 3.19Å; P203-S205 VanDerWaalsContact C-N 3.33Å
204Q69Low78.1Confident105 Ų10547.8 Ų47.849%0.49129%0.287SS..G310 helixtrans-82.2-7.3174.3-58-165.7-4.500113.5D202 A206 S207D202-Q204 PolarHBondContact O-N 3.03Å; D202-Q204 VanDerWaalsContact O-N 3.11Å; D202-Q204 WeakPolarHBondContact OD1-CA 3Å; D202-Q204 VanDerWaalsContact OD1-CB 3.32Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.18Å; D202-Q204 PolarHBondContact OD1-N 2.81Å; Q204-A206 PolarHBondContact O-N 3.12Å; Q204-A206 VanDerWaalsContact O-N 3.13Å; Q204-S207 WeakPolarHBondContact CA-OG 3.28Å; Q204-S207 WeakPolarHBondContact O-CB 3.46Å; Q204-S207 PolarHBondContact O-N 2.67Å; Q204-S207 PolarHBondContact O-OG 3.49Å
205S71.1Confident76.4Confident16 Ų1653.3 Ų53.311%0.11232%0.317CS..G310 helixtrans-52-36.1175.9-69.10000113.3T140 I199 D202 P203 S207T140-S205 PolarHBondContact OG1-OG 2.91Å; I199-S205 WeakPolarHBondContact O-CB 3.27Å; I199-S205 PolarHBondContact O-OG 3.26Å; D202-S205 VanDerWaalsContact O-CB 3.25Å; D202-S205 WeakPolarHBondContact O-CB 3.28Å; D202-S205 PolarHBondContact O-N 3.29Å; D202-S205 PolarHBondContact O-OG 2.86Å; P203-S205 VanDerWaalsContact C-N 3.33Å; S205-S207 VanDerWaalsContact C-N 3.27Å; S205-S207 PolarHBondContact O-N 3.39Å
206A68.3Low74.8Confident45 Ų4556 Ų5637%0.37233%0.331SS..G310 helixtrans-75.1-5.5179.600000114.9Q204 C208Q204-A206 PolarHBondContact O-N 3.12Å; Q204-A206 VanDerWaalsContact O-N 3.13Å; A206-C208 PolarHBondContact O-N 2.84Å; A206-C208 VanDerWaalsContact O-N 3.17Å
207S62.1Low72.8Confident78 Ų7865 Ų6555%0.54537%0.373SS..G310 helixtrans-70.7-11.9-168.4-53.70000115.1Q204 S205Q204-S207 WeakPolarHBondContact CA-OG 3.28Å; Q204-S207 WeakPolarHBondContact O-CB 3.46Å; Q204-S207 PolarHBondContact O-N 2.67Å; Q204-S207 PolarHBondContact O-OG 3.49Å; S205-S207 VanDerWaalsContact C-N 3.27Å; S205-S207 PolarHBondContact O-N 3.39Å
208C60.1Low70.8Confident15 Ų1564 Ų6410%0.10138%0.376CS..  trans-134.974-174.4-56.50000111.6K41 E176 A206 N210K41-C208 WeakPolarHBondContact CE-O 3.43Å; K41-C208 PolarHBondContact NZ-O 3.42Å; E176-C208 HydrophobicContact CG-CB 4.1Å; E176-C208 WeakPolarHBondContact OE1-CB 3.4Å; A206-C208 PolarHBondContact O-N 2.84Å; A206-C208 VanDerWaalsContact O-N 3.17Å; C208-N210 PolarHBondContact O-N 3.48Å; C208-N210 VanDerWaalsContact O-N 3.11Å
209P70.6Confident68.9Low66 Ų6667.7 Ų67.743%0.42940%0.4SS..  trans-78.215-179.333.8-37.6000114.3L211P209-L211 WeakPolarHBondContact O-CD1 3.39Å
210N68.9Low67.1Low87 Ų8768.2 Ų68.247%0.46540%0.404SS..  trans-66.4131.6-172.3-65.3-23.5000112.8K41 C208K41-N210 WeakPolarHBondContact CE-O 3.29Å; K41-N210 PolarHBondContact NZ-O 2.89Å; C208-N210 PolarHBondContact O-N 3.48Å; C208-N210 VanDerWaalsContact O-N 3.11Å
211L70.4Confident65.6Low15 Ų1567.3 Ų67.38%0.07940%0.396CS..  trans-111-20.7169.1-56.894.6000113.1K72 L89 P209K72-L211 HydrophobicContact CB-CD2 4.03Å; K72-L211 HydrophobicContact CD-CD1 3.85Å; K72-L211 HydrophobicContact CD-CD2 3.75Å; K72-L211 HydrophobicContact CD-CG 4.48Å; K72-L211 HydrophobicContact CG-CD2 3.69Å; K72-L211 WeakPolarHBondContact O-CD2 3.46Å; L89-L211 HydrophobicContact CB-CD2 3.93Å; L89-L211 HydrophobicContact CB-CG 4.21Å; L89-L211 HydrophobicContact CD2-CD1 3.88Å; L89-L211 HydrophobicContact CD2-CG 4.32Å; P209-L211 WeakPolarHBondContact O-CD1 3.39Å
212S68.5Low64Low48 Ų4864.9 Ų64.934%0.33638%0.384SS..  trans-88.9134.8175.41760000109.9E78 H214E78-S212 VanDerWaalsContact OE1-CA 3.23Å; E78-S212 WeakPolarHBondContact OE1-CA 3.49Å; E78-S212 VanDerWaalsContact OE1-CB 3.24Å; E78-S212 WeakPolarHBondContact OE1-CB 3.44Å; S212-H214 PolarHBondContact OG-ND1 2.78Å
213Y74.1Confident62.7Low20 Ų2064.3 Ų64.38%0.07838%0.38CS..  trans-128.712.8174.2-70-76.3000112.7Y80 V87 L174 E176 D215 I216Y80-Y213 HydrophobicContact CD2-CD2 4.04Å; Y80-Y213 HydrophobicContact CD2-CE1 4.41Å; Y80-Y213 AromaticContact CD2-CE2 3.68Å; Y80-Y213 HydrophobicContact CD2-CE2 3.68Å; Y80-Y213 AromaticContact CD2-CZ 3.87Å; Y80-Y213 HydrophobicContact CE2-CE1 4.17Å; Y80-Y213 HydrophobicContact CE2-CE2 4.14Å; Y80-Y213 AromaticContact CE2-CZ 3.82Å; V87-Y213 HydrophobicContact CG2-CD2 4.15Å; V87-Y213 HydrophobicContact CG2-CE2 3.94Å; L174-Y213 HydrophobicContact CD2-CE1 4.44Å; E176-Y213 PolarHBondContact OE1-OH 3.15Å; E176-Y213 PolarHBondContact OE2-OH 3.44Å; Y213-D215 PolarHBondContact O-N 2.72Å; Y213-D215 VanDerWaalsContact O-N 3.12Å; Y213-I216 HydrophobicContact CD1-CD1 3.76Å; Y213-I216 HydrophobicContact CE1-CD1 4.44Å; Y213-I216 PolarHBondContact O-N 3.06Å
214H61.5Low62Low100 Ų10062.1 Ų62.146%0.46336%0.357SS..THydrogen-bonded Turntrans-55.5-30.8-175.7-63.594.1000113.8E78 S212 I216E78-H214 VanDerWaalsContact CG-CE1 3.42Å; E78-H214 WeakPolarHBondContact CG-CE1 3.49Å; E78-H214 IonicContact OE1-CE1 2.67Å; E78-H214 PolarHBondContact OE1-CE1 3.02Å; E78-H214 VanDerWaalsContact OE1-CE1 3.24Å; E78-H214 IonicContact OE1-ND1 2.76Å; S212-H214 PolarHBondContact OG-ND1 2.78Å; H214-I216 VanDerWaalsContact C-N 3.27Å; H214-I216 PolarHBondContact O-N 3.13Å
215D60Low61.3Low150 Ų15058.7 Ų58.780%0.80235%0.345SS*.THydrogen-bonded Turntrans-78.2-6.8-178-45.6-70.9000113.4Y213 Q217Y213-D215 PolarHBondContact O-N 2.72Å; Y213-D215 VanDerWaalsContact O-N 3.12Å; D215-Q217 PolarHBondContact O-N 3.21Å
216I60.7Low60.4Low57 Ų5763.3 Ų63.329%0.29237%0.372SS..  trans-94.873.7-178.5-48.6-168.1000110.5P81 L174 Y213 H214 V220P81-I216 HydrophobicContact CG-CG2 4.48Å; L174-I216 HydrophobicContact CD2-CD1 3.56Å; Y213-I216 HydrophobicContact CD1-CD1 3.76Å; Y213-I216 HydrophobicContact CE1-CD1 4.44Å; Y213-I216 PolarHBondContact O-N 3.06Å; H214-I216 VanDerWaalsContact C-N 3.27Å; H214-I216 PolarHBondContact O-N 3.13Å; I216-V220 HydrophobicContact CG2-CG2 3.92Å
217Q50.1Low59.2Low189 Ų18964.5 Ų64.588%0.88339%0.389SS*.  trans-88.1107.1168.6-73.1-171.6-15.200111.1D215D215-Q217 PolarHBondContact O-N 3.21Å
218G51.3Low58.2Low36 Ų3665 Ų6537%0.37139%0.393SS..SBendtrans173.6166.8174.300000112.1V220G218-V220 VanDerWaalsContact C-N 3.33Å; G218-V220 PolarHBondContact O-N 3.2Å
219P52.4Low57.9Low90 Ų9068.8 Ų68.858%0.58442%0.417SS*.  trans-67.987174.827.3-34.9000111.4F172F172-P219 WeakPolarHBondContact CD2-O 3.35Å; F172-P219 HydrophobicContact CE2-CG 4Å; F172-P219 WeakPolarHBondContact CE2-O 3.26Å; F172-P219 HydrophobicContact CZ-CG 4.17Å
220V53.1Low56.8Low21 Ų2172.9 Ų72.913%0.12743%0.425CS..PPolyproline II helixtrans-68.7137.6174.8168.60000110.5P81 L174 I216 G218 S222P81-V220 HydrophobicContact CB-CB 4.27Å; P81-V220 HydrophobicContact CB-CG1 4.5Å; P81-V220 HydrophobicContact CB-CG2 3.85Å; P81-V220 HydrophobicContact CG-CG1 4.42Å; P81-V220 HydrophobicContact CG-CG2 4.06Å; L174-V220 HydrophobicContact CD1-CG1 3.66Å; L174-V220 HydrophobicContact CD1-CG2 4.43Å; I216-V220 HydrophobicContact CG2-CG2 3.92Å; G218-V220 VanDerWaalsContact C-N 3.33Å; G218-V220 PolarHBondContact O-N 3.2Å; V220-S222 PolarHBondContact O-N 3.34Å
221A56.4Low55.4Low32 Ų3272.2 Ų72.226%0.26443%0.432SS..PPolyproline II helixtrans-58.6131.2179.200000111.4V223A221-V223 PolarHBondContact O-N 3.31Å
222S55.9Low54.3Low56 Ų5676.7 Ų76.739%0.39246%0.46SS..PPolyproline II helixtrans-50.1132.4-179.3175.60000112.4V220 Y224V220-S222 PolarHBondContact O-N 3.34Å; S222-Y224 WeakPolarHBondContact CB-O 3.43Å; S222-Y224 PolarHBondContact O-N 3.11Å; S222-Y224 PolarHBondContact OG-N 3.17Å; S222-Y224 PolarHBondContact OG-O 3.2Å
223V59.4Low53.1Low6 Ų679.7 Ų79.74%0.03648%0.478CS..SBendtrans-60.1-20.6169.7170.30000111.7Y80 T83 K133 C178 V180 A221 P225Y80-V223 HydrophobicContact CD1-CG2 4.43Å; Y80-V223 HydrophobicContact CE1-CG2 4.21Å; T83-V223 HydrophobicContact CG2-CB 4.3Å; T83-V223 HydrophobicContact CG2-CG2 3.7Å; K133-V223 HydrophobicContact CD-CG1 4.25Å; C178-V223 HydrophobicContact CB-CG1 4Å; C178-V223 HydrophobicContact CB-CG2 4.22Å; V180-V223 HydrophobicContact CG2-CG1 3.93Å; A221-V223 PolarHBondContact O-N 3.31Å; V223-P225 WeakPolarHBondContact O-CD 3.23Å
224Y57.5Low51.6Low72 Ų7286 Ų8628%0.28251%0.511SS..SBendtrans-103.7109.5173-49.6-77.3000110.5R128 Q131 K133 S222 T226R128-Y224 WeakPolarHBondContact CD-OH 3.34Å; Q131-Y224 PolarHBondContact NE2-OH 2.78Å; Q131-Y224 VanDerWaalsContact NE2-OH 3.11Å; K133-Y224 PolarHBondContact NZ-OH 3.33Å; S222-Y224 WeakPolarHBondContact CB-O 3.43Å; S222-Y224 PolarHBondContact O-N 3.11Å; S222-Y224 PolarHBondContact OG-N 3.17Å; S222-Y224 PolarHBondContact OG-O 3.2Å; Y224-T226 PolarHBondContact O-N 3.21Å
225P55.2Low50.7Low34 Ų3487.2 Ų87.222%0.22152%0.52CS..  trans-70.321.5-177.3-22.635.2000117.1Q164 Q167 V223Q164-P225 HydrophobicContact CG-CG 4.03Å; Q167-P225 HydrophobicContact CG-CB 4.44Å; V223-P225 WeakPolarHBondContact O-CD 3.23Å
226T52.2Low49.4Very low113 Ų11385.6 Ų85.669%0.69352%0.517SS*.SBendtrans-103.989.6-171.6520000112Y224Y224-T226 PolarHBondContact O-N 3.21Å
227G42.6Very low48.5Very low70 Ų7092.4 Ų92.472%0.72254%0.541SS*.SBendtrans117.7177.7178.100000113.5
228S41.4Very low47.8Very low89 Ų8991.5 Ų91.562%0.62254%0.541SS*.  trans-57.9144.3-172.644.10000113.4Y230 A231S228-Y230 PolarHBondContact O-N 2.84Å; S228-A231 PolarHBondContact O-N 2.88Å
229P52.9Low47Very low94 Ų9495.9 Ų95.961%0.6156%0.561SS**THydrogen-bonded Turntrans-68.9-1.8-172.528.5-36.6000115.1
230Y48.1Very low46.2Very low151 Ų15196.7 Ų96.759%0.59257%0.569SS**THydrogen-bonded Turntrans-114.426.4-179.9-59.2-63.2000113E171 S228 T232E171-Y230 PolarHBondContact OE2-OH 3.16Å; E171-Y230 VanDerWaalsContact OE2-OH 3.05Å; S228-Y230 PolarHBondContact O-N 2.84Å; Y230-T232 VanDerWaalsContact C-N 3.3Å; Y230-T232 PolarHBondContact O-N 3.06Å
231A40.4Very low45.4Very low74 Ų74100.7 Ų100.761%0.61260%0.598SS**  trans-66.387.4169.500000110.5S228S228-A231 PolarHBondContact O-N 2.88Å
232T47.4Very low44.5Very low109 Ų109105.3 Ų105.367%0.66962%0.623SS**  trans-60.9133.317446.80000110Y230 I234Y230-T232 VanDerWaalsContact C-N 3.3Å; Y230-T232 PolarHBondContact O-N 3.06Å; T232-I234 PolarHBondContact O-N 3.44Å
233P43.5Very low43.5Very low110 Ų110109.3 Ų109.371%0.71464%0.638SS**  trans-68.4101.2169.928-32.3000108.3I235P233-I235 PolarHBondContact O-N 2.89Å
234I42.2Very low42.4Very low152 Ų152116.5 Ų116.578%0.77968%0.676SS**  trans-65.2103.2170.4-59.2177.3000106.8T232 P236T232-I234 PolarHBondContact O-N 3.44Å; I234-P236 VanDerWaalsContact O-CD 3.26Å; I234-P236 WeakPolarHBondContact O-CD 3.4Å
235I42.5Very low41.2Very low126 Ų126119 Ų11965%0.64670%0.704SS**  trans-72.8114.9173.7-59.6174.3000107.1P233 Y237P233-I235 PolarHBondContact O-N 2.89Å; I235-Y237 VanDerWaalsContact C-N 3.27Å; I235-Y237 HydrophobicContact CG2-CD1 4.33Å; I235-Y237 WeakPolarHBondContact O-CD1 3.34Å; I235-Y237 PolarHBondContact O-N 3.11Å
236P32.7Very low40.3Very low116 Ų116124.4 Ų124.475%0.75373%0.731SS**  trans-81.974.1-178.634.4-33.9000110.3I234I234-P236 VanDerWaalsContact O-CD 3.26Å; I234-P236 WeakPolarHBondContact O-CD 3.4Å
237Y41.7Very low39.5Very low201 Ų201124.3 Ų124.379%0.78873%0.732SS**PPolyproline II helixtrans-76.4147.2158.359.8-93.8000109.7I235I235-Y237 VanDerWaalsContact C-N 3.27Å; I235-Y237 HydrophobicContact CG2-CD1 4.33Å; I235-Y237 WeakPolarHBondContact O-CD1 3.34Å; I235-Y237 PolarHBondContact O-N 3.11Å
238L35.8Very low39Very low170 Ų170125.9 Ų125.989%0.8973%0.732SS**PPolyproline II helixtrans-70.8146.4-156.6-82.866.7000114.3
239T34.5Very low38.9Very low127 Ų127128.7 Ų128.778%0.77974%0.739SS**PPolyproline II helixtrans-85.6142.1-179.851.30000113.9
240S35.6Very low37.9Very low108 Ų108130.3 Ų130.376%0.75574%0.742SS**  trans-171.3118.5131.5-81.90000109.3
241S36.3Very low37.4Very low104 Ų104128.4 Ų128.473%0.72775%0.746SS**  69.2117.279.5-56.20000110.9
242T36.1Very low37.1Very low129 Ų129132.3 Ų132.379%0.79176%0.757SS**  -160.9173.252.540.90000109.2
243I35.6Very low36.5Very low140 Ų140132.1 Ų132.172%0.71876%0.76SS**  -164.8143.859.7-91.6-172.3000111.6
244L36.6Very low35.8Very low157 Ų157131.4 Ų131.482%0.82276%0.763SS**  trans28112.1158.6-79.456.5000121
245S31.9Very low35.2Very low126 Ų126129.8 Ų129.888%0.88177%0.766SS**  -139.9124.4112.159.90000108.7
246N35.7Very low34.5Very low146 Ų146128.2 Ų128.278%0.78177%0.772SS**  trans-129.2135.3-175.7-167.389.8000110.2
247P35.4Very low34.3Very low111 Ų111127.5 Ų127.572%0.72178%0.776SS**  trans-76.3174.8-177.831.9-36.1000113.8
248S32.6Very low33.7Very low104 Ų104122.9 Ų122.973%0.72778%0.779SS**  trans-93.2-169.7-174.6500000113.7
249I38.6Very low33.4Very low148 Ų148119.1 Ų119.176%0.75977%0.772SS**  trans84.4128169.2-53.1173.5000114.5
250D33.5Very low33.2Very low128 Ų128118.1 Ų118.168%0.68478%0.777SS**  cis-164.6169.4-27.3-114.5-45.3000110.8
251T37.6Very low33Very low110 Ų110117.2 Ų117.268%0.67578%0.776SS**  trans36.1116155.557.20000120.1
252N33.6Very low32.7Very low157 Ų157117 Ų11784%0.8478%0.78SS**  -163.7157.2107.9-99.5-46.6000112.8A254N252-A254 PolarHBondContact O-N 3.26Å
253S33.8Very low32.4Very low104 Ų104115.4 Ų115.473%0.72778%0.78SS**  trans-1.6109.316954.90000117.3
254A28.9Very low32.3Very low95 Ų95113.5 Ų113.579%0.78579%0.786SS**  59.294.469.100000115.1N252N252-A254 PolarHBondContact O-N 3.26Å
255S29.4Very low32.3Very low118 Ų118110.3 Ų110.383%0.82578%0.782SS**  trans171.4166.2141.249.20000110.9
256A28.9Very low32.5Very low94 Ų94110 Ų11078%0.77778%0.775SS**  trans48.1101.8168.800000117.6
257A27.9Very low32.5Very low101 Ų101110.9 Ų110.984%0.83578%0.776SS**  81.8149.354.100000115.5
258A30.1Very low32.3Very low103 Ų103113.5 Ų113.585%0.85178%0.781SS**  trans69.414817100000117.8
259A28.9Very low32Very low92 Ų92113 Ų11376%0.7678%0.783SS**  cis-167.6163.9-20.700000110.6
260A29.8Very low31.6Very low106 Ų106110.3 Ų110.388%0.87678%0.783SS**  trans61.1137.7166.700000117.3
261A32.1Very low31.4Very low89 Ų89108.9 Ų108.974%0.73679%0.788SS**  cis-137.31477.500000108.4
262A29.6Very low31Very low98 Ų98110 Ų11081%0.8180%0.795SS**  62.7120.85300000112.1
263A31Very low30.9Very low96 Ų96106.1 Ų106.179%0.79378%0.784SS**  cis-158.1177.54.500000113.5
264A33.6Very low30.9Very low101 Ų101110.3 Ų110.384%0.83579%0.79SS**  trans74.2143.216600000116.8
265A36Very low31.2Very low89 Ų89111.3 Ų111.374%0.73679%0.787SS**  cis-170.1158.5-10.400000107.6
266T35.8Very low31.4Very low120 Ų120111.4 Ų111.474%0.73678%0.784SS**  cis-173.5135-11.1-91.30000106.9
267M35.3Very low31.4Very low164 Ų164110.5 Ų110.581%0.80879%0.785SS**  trans57.8126.7175.4-57.8-53.2-161.500117.3
268M30.8Very low32Very low167 Ų167111.3 Ų111.382%0.82378%0.781SS**  cis81.912343.6-168.5167.9-176.400114.2
269A27Very low32Very low94 Ų94111.5 Ų111.578%0.77778%0.776SS**  trans-92.1140.1174.600000111.7
270A30.3Very low32.3Very low91 Ų91112.6 Ų112.675%0.75278%0.778SS**  trans-160.1114.2162.700000111.6
271A29.6Very low32.5Very low97 Ų97116 Ų11680%0.80278%0.776SS**  trans62.8168167.400000116.3
272V29.7Very low32.8Very low135 Ų135117 Ų11782%0.81878%0.776SS**  cis-142.4132.26.9-145.70000111.3
273A31.4Very low33.2Very low74 Ų74117.5 Ų117.561%0.61277%0.768SS**  trans48.9174.2146.200000122.3
274F33.3Very low33.3Very low192 Ų192118.9 Ų118.984%0.84277%0.767SS**  trans62.8142.9167.7-68.5-82.4000117.4
275T34.4Very low33.4Very low117 Ų117118.7 Ų118.772%0.71876%0.76SS**  cis-163.3177.5-2370000106.9
276P35Very low33.4Very low119 Ų119118.7 Ų118.777%0.77375%0.754SS**  trans-95.1136.1-163.835.4-35.4000117.6
277G27.6Very low33.2Very low76 Ų76121.9 Ų121.978%0.78476%0.758SS**  trans64.1-170.3163.800000116.4
278P41.1Very low33.1Very low117 Ų117121.1 Ų121.176%0.7676%0.756SS**  cis-132-177.1-24.737.4-19.3000113.6
279S30Very low33.2Very low108 Ų108118.1 Ų118.176%0.75575%0.752SS**  trans44.9118.1147.762.40000123.7
280S35.6Very low33.5Very low115 Ų115118.8 Ų118.880%0.80475%0.751SS**  trans166.3126.4139.341.60000107.6
281Q33.8Very low34Very low176 Ų176120.7 Ų120.782%0.82276%0.755SS**  cis62.3111.234.5-138.2-165.59.600113.7
282P38.9Very low34Very low112 Ų112120 Ų12073%0.72776%0.758SS**  -136.5169.597.338.2-25.5000112.2
283T36.7Very low34.2Very low107 Ų107117.3 Ų117.366%0.65676%0.757SS**  cis-167.4158.4-13.525.40000108.5
284T33Very low34.2Very low125 Ų125119.4 Ų119.477%0.76777%0.767SS**  trans54.4138.5148.752.40000120.7
285S36.6Very low34.4Very low98 Ų98116.8 Ų116.869%0.68577%0.767SS**  cis-167.6170.6-1.349.60000110.6
286S35.8Very low34.3Very low89 Ų89116.4 Ų116.462%0.62277%0.765SS**  trans53.9140.9141.360.10000120.7
287F30.6Very low34.2Very low187 Ų187119.5 Ų119.582%0.8277%0.767SS**  cis176.6177-13.8-106.1-55.2000104.9
288I33.4Very low34.6Very low148 Ų148119 Ų11976%0.75976%0.762SS**  trans70.6105.9160.5-66.8150.7000114.6
289S33.9Very low34.3Very low104 Ų104122.4 Ų122.473%0.72777%0.765SS**  72.8151.490.5-52.90000114
290S34Very low34.5Very low108 Ų108126 Ų12676%0.75577%0.767SS**  cis-165.5171.4-9.6-104.50000108.9
291P40.7Very low35Very low130 Ų130126.3 Ų126.384%0.84477%0.766SS**  trans-89.2159.1-176.335.5-36.5000115.1
292G28.9Very low35.6Very low84 Ų84122.6 Ų122.687%0.86676%0.758SS**  trans123.7152.816000000116.6
293G34.5Very low35.4Very low78 Ų78123.9 Ų123.980%0.80476%0.758SS**  trans112.5102.6-178.400000112.7
294S30Very low35.3Very low118 Ų118127.3 Ų127.383%0.82576%0.764SS**  cis83.868.915-170.40000117.7
295T37.4Very low35.2Very low137 Ų137129.2 Ų129.284%0.8476%0.764SS**  trans-160.9152.215436.20000107.4
296T33.4Very low35.1Very low108 Ų108129.6 Ų129.666%0.66377%0.767SS**  cis-157.6142.1-5.2-111.10000110.1
297F32.7Very low35Very low185 Ų185131.1 Ų131.181%0.81177%0.773SS**  trans15139158-57.7-105.8000121.3
298G35.9Very low35.4Very low66 Ų66127.5 Ų127.568%0.6877%0.768SS**  cis164.8-172.5-1.600000114.9
299F34.3Very low35.4Very low187 Ų187128.2 Ų128.282%0.8277%0.773SS**  trans70.588.9165.4-63.7-81.1000121.4
300F35.2Very low35.4Very low185 Ų185129.8 Ų129.881%0.81177%0.772SS**  11.6157.9109.1-76.3-94.8000120.3
301P45.1Very low35.2Very low121 Ų121128.9 Ų128.979%0.78677%0.771SS**  cis-132.8168.81727-3.4000118
302P45.9Very low34.8Very low98 Ų98128.6 Ų128.664%0.63677%0.767SS**  trans-100.5-176.7175.541.8-37.4000113.3
303N36.3Very low35.1Very low139 Ų139131.9 Ų131.974%0.74376%0.763SS**  trans-163.6144.8151.3-113.8-32.5000115.3
304F34.6Very low34.8Very low178 Ų178132.5 Ų132.578%0.78176%0.761SS**  trans45.6123.2169.3-64.5-79.1000120.1
305Q30.1Very low34.8Very low165 Ų165131.2 Ų131.277%0.77176%0.758SS**  cis82.292.314.1-162-176-25.800118.5
306S35.7Very low34.5Very low107 Ų107132 Ų13275%0.74876%0.756SS**  trans-170.4101.6138.646.70000108.8
307T31.9Very low34.3Very low121 Ų121132.8 Ų132.874%0.74276%0.761SS**  74.8137.477.958.50000115.1
308P40.1Very low34.5Very low110 Ų110129.7 Ų129.771%0.71476%0.762SS**  trans-102-169-164.443.3-37.8000112.5
309D33.4Very low34.3Very low163 Ų163133.1 Ų133.187%0.87277%0.765SS**  trans-139.7155.3152.9-136.4-30.9000113.1
310I32.5Very low34.7Very low138 Ų138129.7 Ų129.771%0.70876%0.761SS**  trans-140136-168.6-74.5177.3000111.3
311A30.9Very low34.5Very low88 Ų88126.3 Ų126.373%0.72776%0.756SS**  trans65.7149.1167.500000118
312T33Very low34.1Very low125 Ų125125 Ų12577%0.76776%0.755SS**  trans-173.1117.2130.1-78.90000110.4
313I33.6Very low33.6Very low152 Ų152126.5 Ų126.578%0.77976%0.763SS**  trans22106.9135.7-48.6170.4000115.1
314A29.4Very low33.4Very low91 Ų91123.8 Ų123.875%0.75277%0.768SS**  81.7152.561.100000116.4
315A28.4Very low33.3Very low92 Ų92119.1 Ų119.176%0.7677%0.77SS**  trans80.9166.2168.900000120
316L32.6Very low33.1Very low152 Ų152117.1 Ų117.180%0.79677%0.774SS**  trans72.492.8172.5-49.4-175.9000116.7
317T29.5Very low33Very low125 Ų125119.1 Ų119.177%0.76778%0.775SS**  72.4113.368.667.20000116.4
318S35.1Very low33.1Very low121 Ų121120.7 Ų120.785%0.84678%0.777SS**  -175.5131.112949.90000113
319N31.8Very low32.4Very low138 Ų138122.8 Ų122.874%0.73878%0.781SS**  trans-84158.1156.3-150.3-6.9000107.2T321N319-T321 PolarHBondContact OD1-N 3.3Å
320P43.4Very low32.5Very low114 Ų114119.6 Ų119.674%0.7477%0.769SS**  -154.6144.17938.2-17.6000118.3
321T31.8Very low32.2Very low114 Ų114118.2 Ų118.270%0.69977%0.772SS**  30.4114.1119.9-41.40000120.7N319N319-T321 PolarHBondContact OD1-N 3.3Å
322A35.6Very low32.4Very low93 Ų93121.2 Ų121.277%0.76977%0.774SS**  trans-170.3161.4133.100000111.6
323T34.9Very low32.5Very low131 Ų131122.5 Ų122.580%0.80478%0.776SS**  cis-170.7125.2-37.5-82.80000107.2
324G32.7Very low32.7Very low82 Ų82120 Ų12085%0.84577%0.77SS**  trans74.8155169.600000116
325G32.4Very low33Very low79 Ų79122.3 Ų122.381%0.81477%0.769SS**  cis-160.8149.9-5.200000111.6
326S27.1Very low33.5Very low124 Ų124124.1 Ų124.187%0.86777%0.771SS**  trans-102.8112.6-179.7-178.80000110.3
327I33.6Very low33.7Very low149 Ų149120.1 Ų120.176%0.76477%0.767SS**  trans-138.6105.2177.3-64.5-173.2000110.8
328I32.6Very low34Very low153 Ų153120.5 Ų120.579%0.78576%0.764SS**  trans46.3133.6137.7-29.4174.3000120.8
329L26.4Very low34.1Very low154 Ų154120.5 Ų120.581%0.80675%0.754SS**  trans-43.3179.2147.5-94.471.9000114.9
330P35.1Very low34.3Very low96 Ų96123.9 Ų123.962%0.62376%0.757SS**  cis-137.4-176.7-24.237.3-19.5000114.3
331S26.6Very low33.8Very low109 Ų109124.1 Ų124.176%0.76276%0.756SS**  trans69.4179.1146.4-65.40000119.6
332I34.3Very low33.9Very low151 Ų151125.7 Ų125.777%0.77476%0.759SS**  trans76.394.2-176.8-49.2171.4000111.8
333L35Very low33.7Very low153 Ų153126.7 Ų126.780%0.80176%0.759SS**  66.5146.985.3-92.278.5000114.1
334P39.4Very low33.7Very low100 Ų100125.2 Ų125.265%0.64975%0.754SS**  cis-136171.529.543-27.2000117.8
335N34.8Very low33.7Very low138 Ų138127.8 Ų127.874%0.73875%0.748SS**  trans54.8137145.9-66.1-11.8000120.5
336T38.8Very low34Very low131 Ų131130.8 Ų130.880%0.80475%0.745SS**  cis-162.5149.6310.40000108.2
337G36.4Very low34.4Very low68 Ų68128.9 Ų128.970%0.70173%0.732SS**  trans151.140.1171.600000120.4
338N36.8Very low34.6Very low132 Ų132124 Ų12471%0.70672%0.718SS**  trans28.9103.5148.7-46.115.1000118.3
339D36.6Very low34.8Very low121 Ų121122 Ų12265%0.64771%0.709SS**  83.4150.1100.5-66.3-44.9000116.2
340R35.2Very low35.2Very low209 Ų209119.1 Ų119.179%0.78969%0.694SS**  cis-160.2131.4-25.3-103.8171-156.7-155.90.6106.5
341T33.6Very low35.1Very low120 Ų120123.2 Ų123.274%0.73670%0.702SS**  58.2124.697.6-27.50000114.1
342I34Very low35.3Very low147 Ų147121.4 Ų121.475%0.75469%0.69SS**  -178.8133.988.8-88.8173.6000111.6
343C31.7Very low35.2Very low114 Ų114122.4 Ų122.477%0.7769%0.691SS**  trans38.1162.5140.1-53.30000122.8
344S33.7Very low34.9Very low99 Ų99120.5 Ų120.569%0.69269%0.686SS**  cis179.7-174.8-16.862.10000108.1
345N33.1Very low34.5Very low136 Ų136122.5 Ų122.573%0.72770%0.696SS**  cis-166.1166.3-0.3-123.51.4000110.6
346L38.1Very low34.2Very low142 Ų142119 Ų11974%0.74369%0.692SS**  trans22.7156.1152.4-74.385.4000123.5
347S35.9Very low34Very low85 Ų85120.1 Ų120.159%0.59470%0.699SS**  cis-176.1144.6-17.5-91.80000113.2
348G37.5Very low33.8Very low47 Ų47120.5 Ų120.549%0.48570%0.703SS.*  trans68.2175.5152.100000120.4S558G348-S558 VanDerWaalsContact C-CB 3.5Å
349D36.7Very low33.7Very low111 Ų111117.6 Ų117.659%0.59470%0.704SS**  cis-177.8167.1-27.7-130.5-41.9000113.8S558D349-S558 VanDerWaalsContact O-CA 3.24Å; D349-S558 WeakPolarHBondContact O-CA 3.43Å; D349-S558 PolarHBondContact O-N 3.48Å
350L35.6Very low33.7Very low92 Ų92117.7 Ų117.748%0.48271%0.714SS.*  trans65.6110.3152.9-105.563.7000125.1F560L350-F560 WeakPolarHBondContact CD2-O 3.21Å
351F32.2Very low33.9Very low182 Ų182113.2 Ų113.280%0.79872%0.715SS**  90.9124.1113.5-104-126.9000126.9
352S32Very low34.2Very low72 Ų72112.5 Ų112.550%0.50372%0.715SS.*  98.3127.6124.7-103.50000123.8
353Q30.9Very low34.6Very low171 Ų171110.3 Ų110.380%0.79971%0.71SS**  trans67.3157.5142.8-66.1169.262.200119.4
354T29Very low34.8Very low113 Ų113116.5 Ų116.569%0.69372%0.717SS**  cis-174.4164.4-28.3-84.10000105.4
355V30.9Very low34.9Very low142 Ų142115.9 Ų115.986%0.86171%0.713SS**  trans75.7140-179.6-163.10000113.8
356G29.6Very low34.7Very low64 Ų64116.4 Ų116.466%0.6672%0.716SS**  cis147.473.9-1100000115.9
357V35Very low34.5Very low156 Ų156117.9 Ų117.995%0.94572%0.723SS**  trans-164.9158168-94.20000107.9
358G31.8Very low34.3Very low76 Ų76119.3 Ų119.378%0.78473%0.733SS**  cis164146.3-4.300000111.1
359G34.4Very low34.2Very low70 Ų70120.5 Ų120.572%0.72275%0.745SS**  trans103.1122.3-177.900000113.6
360S37.8Very low33.9Very low123 Ų123125 Ų12586%0.8675%0.754SS**  76.6126.373.868.50000113.4
361S38.1Very low34.1Very low116 Ų116127.8 Ų127.881%0.81177%0.774SS**  cis-152.2162.31455.80000114.7
362S39.9Very low34Very low105 Ų105122.2 Ų122.273%0.73477%0.768SS**  trans-65.2-172.3168.1-17.80000112.4
363P43Very low34Very low100 Ų100128.1 Ų128.165%0.64979%0.785SS**  cis-130.9-176.812.120.67.3000114.3
364W35.6Very low33.9Very low244 Ų244126 Ų12692%0.92478%0.78SS**  cis-148.9-168.6-7.9-121.4-45000112.8
365S35.5Very low33.8Very low86 Ų86126.8 Ų126.860%0.60178%0.784SS**  trans-84.6160.3-178.151.30000114.8
366N29.7Very low33.7Very low148 Ų148126.8 Ų126.879%0.79178%0.777SS**  cis71123.942.6-131.3-10000114.9
367I33.2Very low34Very low172 Ų172130.2 Ų130.288%0.88279%0.785SS**  trans-169.7154.2152.7-106.7160.9000110.2
368S32.1Very low34.1Very low116 Ų116127.2 Ų127.281%0.81177%0.769SS**  trans-144.2147.2-160.959.50000115.1
369G34.3Very low34Very low71 Ų71130.9 Ų130.973%0.73277%0.771SS**  trans161.7119.5164.600000110.2
370R31.6Very low34.2Very low207 Ų207134.9 Ų134.978%0.78178%0.775SS**  78.714368.1-95.7-163.7173.3-147.4-1.4114.1
371T39.9Very low33.9Very low150 Ų150136 Ų13692%0.9277%0.771SS**  trans68.1150.5-168.1740000113.8
372G30.2Very low33.7Very low65 Ų65134.4 Ų134.467%0.6777%0.765SS**  cis155.3143.6-1100000112.8
373F32.3Very low33.4Very low196 Ų196133.7 Ų133.786%0.8677%0.766SS**  trans70.4117.7172.9-85.1-96.2000120.1
374D28.3Very low32.9Very low127 Ų127134.7 Ų134.768%0.67978%0.775SS**  49.2116.4126.7-67.9-8.7000124.6
375V26.7Very low33Very low129 Ų129127.5 Ų127.578%0.78277%0.768SS**  72.6167.4128.6-172.20000117.3
376I29.7Very low32.9Very low141 Ų141131.1 Ų131.172%0.72378%0.779SS**  trans79.1100.3174.3-45.8-176.9000115.2P378I376-P378 HydrophobicContact CG2-CG 4.3Å
377V35.2Very low33.3Very low137 Ų137130.5 Ų130.583%0.8378%0.781SS**  trans-74.2134.1152.5-178.40000108.2
378P36.7Very low33.4Very low93 Ų93127.9 Ų127.960%0.60477%0.773SS**  trans-132.6135.7134.6173.3000112.3I376I376-P378 HydrophobicContact CG2-CG 4.3Å
379D30.2Very low33.6Very low152 Ų152129 Ų12981%0.81378%0.775SS**  trans-70.4141.7158.1-175.67.3000109
380L38.7Very low33.7Very low155 Ų155130.2 Ų130.281%0.81277%0.772SS**  trans-148.787.2-178-110.6164.4000112
381N31.9Very low33.8Very low145 Ų145126.2 Ų126.278%0.77577%0.771SS**  trans-61.9157.6167.6178.723.2000113
382A32.6Very low33.7Very low84 Ų84123.9 Ų123.969%0.69477%0.767SS**  trans115.9153.7145.200000119.7
383A35.2Very low33.9Very low90 Ų90128.9 Ų128.974%0.74477%0.772SS**  trans94.684.1154.200000121.6
384S31.6Very low34.2Very low121 Ų121128.7 Ų128.785%0.84677%0.774SS**  78.7114.9115.2-56.60000123.2
385A36.9Very low34.5Very low93 Ų93127.6 Ų127.677%0.76978%0.776SS**  trans154.196.2131.200000110.8
386L33.7Very low35Very low161 Ų161129 Ų12984%0.84378%0.778SS**  64.2109.283.5-70.4175.3000116.6
387T38.7Very low35.4Very low136 Ų136128.4 Ų128.483%0.83478%0.782SS**  trans-170.289.5130.2-70.60000112.2
388T35.4Very low35.3Very low117 Ų117125.6 Ų125.672%0.71878%0.78SS**  trans22153.1132.1-17.10000124.8
389V36.3Very low35.2Very low138 Ų138126.6 Ų126.684%0.83679%0.79SS**  trans83.5133.5158.41800000117.3
390S36.2Very low35.4Very low97 Ų97128.4 Ų128.468%0.67879%0.791SS**  cis-166.2139-15.2169.80000114.6
391V34.2Very low35.2Very low124 Ų124127 Ų12775%0.75278%0.783SS**  trans21.3129145.4-169.90000122.5
392A36.7Very low35.1Very low101 Ų101125.3 Ų125.384%0.83578%0.782SS**  trans-151.4153.7138.700000110.6
393Q35.7Very low35.4Very low170 Ų170126.8 Ų126.879%0.79479%0.785SS**  trans-134.6150.7-172.8-65.3175.9-97.600114
394Q37.2Very low35.2Very low191 Ų191131 Ų13189%0.89379%0.786SS**  trans170.3128.9139.2-92.2153.62900108.2
395S34.9Very low35.6Very low104 Ų104131.1 Ų131.173%0.72778%0.784SS**  cis91116.717.9-163.10000116.3
396L37.7Very low35.3Very low158 Ų158134 Ų13483%0.82778%0.782SS**  trans172.7101155.7-91.6165.6000107.2
397T37.2Very low35.1Very low129 Ų129132.3 Ų132.379%0.79177%0.774SS**  59.3137.79363.60000116.3
398G34.3Very low35Very low78 Ų78131.3 Ų131.380%0.80477%0.772SS**  cis-175.9-174.2500000113.2
399S34.7Very low34.9Very low115 Ų115135.1 Ų135.180%0.80478%0.782SS**  trans-114.5168.8-161.9-1.60000115.7
400F32.8Very low34.9Very low190 Ų190134 Ų13483%0.83378%0.781SS**  trans-174.5123140.8-118-133.3000118.5
401I34.6Very low35Very low125 Ų125134.2 Ų134.264%0.64178%0.782SS**  49.7120.4129.9-55-169.3000124.2
402S30.3Very low35.1Very low109 Ų109139.5 Ų139.576%0.76279%0.788SS**  31.8163.7117.5-121.50000122.6
403P39.4Very low35Very low116 Ų116139.7 Ų139.775%0.75378%0.784SS**  cis-146.1-163.917.645-23000118.3
404K31.4Very low34.9Very low178 Ų178135.9 Ų135.977%0.77478%0.781SS**  trans-69162171.4-101.5-174.1177.5-177.70115.3
405P40.2Very low34.9Very low123 Ų123134.9 Ų134.980%0.79978%0.781SS**  trans-117.8177.2141.637.4-28.7000113.8
406Q30.3Very low35.1Very low153 Ų153135.2 Ų135.272%0.71578%0.783SS**  trans-142.9160.3-169.5-130.1175.7-88.400112.9
407D29.9Very low35.4Very low127 Ų127133.6 Ų133.668%0.67978%0.782SS**  trans50121.6152.7-55.1-27.6000124
408S36.7Very low35.6Very low115 Ų115133.4 Ų133.480%0.80478%0.783SS**  174.6109.7128.332.20000109.5
409Q33Very low35.7Very low196 Ų196135.5 Ų135.592%0.91678%0.78SS**  89.3145.173.6-83.9-158.115.200115.5
410S35.7Very low35.7Very low116 Ų116139.7 Ų139.781%0.81178%0.78SS**  trans77.6136177.9-164.60000117.4
411S38.1Very low35.8Very low100 Ų100139.4 Ų139.470%0.69978%0.778SS**  cis-161.7163.3-26.348.60000111.8
412R35.4Very low36.3Very low235 Ų235138.3 Ų138.389%0.88778%0.779SS**  trans1143.4164.4-42.5176.1175.3-178.5-2.9118.6
413S36Very low36.4Very low106 Ų106138 Ų13874%0.74178%0.778SS**  cis-167.8150.539.5-44.10000115.2
414A34Very low36.1Very low89 Ų89138 Ų13874%0.73678%0.78SS**  trans72.4141.7134.500000124.6
415L35.8Very low36.3Very low171 Ų171134.6 Ų134.690%0.89578%0.778SS**  trans73.3108.4161.6-90.670.3000121.3
416S39.6Very low36Very low110 Ų110135.6 Ų135.677%0.76978%0.776SS**  trans-96.8171.3158.9-33.40000111.1
417P45Very low36.4Very low125 Ų125135.4 Ų135.481%0.81278%0.779SS**  -134.4171.7111.312.99.2000114.3
418P41.4Very low36.8Very low125 Ų125135.1 Ų135.181%0.81278%0.784SS**  trans-114.3-177.5-157.143.1-35.7000117.3
419V35.8Very low36.9Very low122 Ų122133.9 Ų133.974%0.73978%0.78SS**  trans-48.4150.3172179.10000114.2
420Y34.3Very low37.4Very low203 Ų203130.6 Ų130.680%0.79678%0.776SS**  trans-138.9118.5160.4-144.9-101.9000113.7P422Y420-P422 HydrophobicContact CD1-CG 4.22Å; Y420-P422 HydrophobicContact CE1-CB 4.03Å; Y420-P422 HydrophobicContact CE1-CG 4.05Å
421F35.4Very low37.4Very low183 Ų183133.2 Ų133.280%0.80378%0.78SS**  trans-103.2148.9153.6-92.6-90.2000107.4
422P44.2Very low37.1Very low102 Ų102140 Ų14066%0.66279%0.791SS**  trans-133.5143.8146.935.9-23.8000113.4Y420Y420-P422 HydrophobicContact CD1-CG 4.22Å; Y420-P422 HydrophobicContact CE1-CB 4.03Å; Y420-P422 HydrophobicContact CE1-CG 4.05Å
423S31.9Very low37.4Very low104 Ų104137.5 Ų137.573%0.72779%0.791SS**  trans-115.8146.8165.7-63.60000109.4
424S33.6Very low37.3Very low114 Ų114136.7 Ų136.780%0.79779%0.786SS**  trans63.8119.9157.3-53.80000119.6
425S35.7Very low38Very low107 Ų107138.8 Ų138.875%0.74879%0.791SS**  146.9153.6111.565.30000115.6
426L34.7Very low38Very low144 Ų144136.5 Ų136.575%0.75479%0.785SS**  trans70.3105.1157.7-65.3155.8000120.9
427I37.9Very low38.1Very low149 Ų149135.8 Ų135.876%0.76479%0.785SS**  50137111.7-66.8-179.3000118.4
428P39.4Very low37.6Very low122 Ų122136.6 Ų136.679%0.79278%0.782SS**  cis-134.1-176.629.327.3-2.8000116.9
429A38.2Very low37.3Very low88 Ų88140.5 Ų140.573%0.72779%0.787SS**PPolyproline II helixtrans-91.3154.6175.300000113.7
430P44.1Very low37.3Very low127 Ų127138.6 Ų138.683%0.82579%0.791SS**PPolyproline II helixtrans-84.4139.2166.333.8-32.1000111.8
431L35.5Very low37.3Very low172 Ų172139.8 Ų139.890%0.90180%0.796SS**PPolyproline II helixtrans-83.5144.5-179.1-74.6168.4000113.2
432R31.4Very low37.8Very low243 Ų243135.9 Ų135.992%0.91779%0.789SS**PPolyproline II helixtrans-75121.3169.2174-174.4178.7-179.51110
433M41.2Very low37.4Very low181 Ų181136.5 Ų136.589%0.89279%0.791SS**  trans-132.5136.7165.4-69.6-165.875.700111.3
434S33.9Very low37.6Very low90 Ų90139.4 Ų139.463%0.62980%0.797SS**  trans-121.8146.1171.553.50000109.5
435P49.6Very low37.6Very low132 Ų132136.8 Ų136.886%0.85779%0.788SS**  trans-100.6126.6157.73.217.3000110.5
436T36Very low37.6Very low124 Ų124143.2 Ų143.276%0.76180%0.798SS**  trans-110.5112.9168.4-58.50000109.3
437A40.8Very low37.8Very low94 Ų94140.1 Ų140.178%0.77780%0.801SS**  trans-153.9104.716700000106.3
438L34.7Very low37.8Very low142 Ų142140.4 Ų140.474%0.74380%0.804SS**  75.3122.456.6-131.482.5000113.7
439F35.1Very low38.3Very low208 Ų208139.1 Ų139.191%0.91280%0.796SS**  trans69.4140.6173.3-75.2-98.6000120
440G35.9Very low38.7Very low81 Ų81140.8 Ų140.884%0.83580%0.799SS**  trans140.649.9159.400000120.9
441Y34.8Very low38.1Very low228 Ų228140.5 Ų140.589%0.89480%0.795SS**  trans-84.3171.2162.9-87.1-68.5000111.1
442P44.5Very low38.3Very low101 Ų101138.5 Ų138.566%0.65679%0.79SS**  cis-140.1-171.6-19.928.8-4.8000115.5
443T36.4Very low38.1Very low116 Ų116135 Ų13571%0.71278%0.784SS**  trans85.9141.4142.313.70000124
444I35.4Very low37.9Very low164 Ų164134.9 Ų134.984%0.84178%0.781SS**  trans66.9132.3159.9-55.5164.7000116.5
445G35.1Very low37.7Very low60 Ų60134.9 Ų134.962%0.61978%0.78SS**  cis167175.2-6.600000113.7
446Y34.6Very low37Very low241 Ų241136.6 Ų136.695%0.94578%0.777SS**  trans44.9117.9163.9-67.3-84.2000121.1
447G38.6Very low36.9Very low80 Ų80137.6 Ų137.683%0.82578%0.777SS**  trans179.7102.5163.500000113
448N37.7Very low36.4Very low155 Ų155139.3 Ų139.383%0.82978%0.778SS**  trans-155.3159.9-174.4-148.3-4.2000109.4
449P51.3Low36.3Very low95 Ų95137.5 Ų137.562%0.61778%0.777SS**  -96.4-148-75.636.4-25.6000110.8
450P45.4Very low36.3Very low122 Ų122133.1 Ų133.179%0.79277%0.768SS**  -139.1153.111237.9-27.8000115.3
451T32.6Very low36.4Very low122 Ų122141.1 Ų141.175%0.74877%0.772SS**  trans-110137.3167.3-51.10000108.8
452V39Very low36.4Very low129 Ų129133.3 Ų133.378%0.78276%0.762SS**  trans-136.2130.3168-178.10000109.6
453Q28.3Very low36.1Very low169 Ų169136.3 Ų136.379%0.7977%0.771SS**  trans-103.6149.7170.4-61.3179-37.600109.6
454H35.6Very low36.3Very low180 Ų180138.9 Ų138.983%0.83377%0.774SS**  trans-174.5121.1145.6-87.3-57.6000106.1
455S30.1Very low36.8Very low89 Ų89135.7 Ų135.762%0.62276%0.764SS**  cis96134.633.477.50000114.1
456H34Very low36.8Very low169 Ų169140.4 Ų140.478%0.78277%0.774SS**  trans86.7132.4164.3-87.3-94.7000122.3
457L34.3Very low37Very low144 Ų144134 Ų13475%0.75476%0.762SS**  trans67.3127.5152.7-57.1162000117.7
458T30.2Very low36.8Very low131 Ų131138.2 Ų138.280%0.80476%0.764SS**  cis82102.234.7-51.90000114.9
459S33.4Very low36.7Very low104 Ų104134.5 Ų134.573%0.72776%0.755SS**  169.1123.1125.1-170.50000115.7
460T35.6Very low35.7Very low116 Ų116138.3 Ų138.371%0.71277%0.765SS**  trans23.1154.6144.4710000126.2
461R37.3Very low35.1Very low248 Ų248138.3 Ų138.394%0.93676%0.762SS**  trans80.6136.4164.9-57.7175.5174.2171.1-2.3117
462G35Very low35Very low65 Ų65137.4 Ų137.467%0.6776%0.761SS**  cis168.7171.6-10.500000114.8
463I38.9Very low34.7Very low164 Ų164135.3 Ų135.384%0.84175%0.752SS**  trans81.8108.6171.6-52160.4000114
464Q40.6Very low34.8Very low170 Ų170131.9 Ų131.979%0.79475%0.747SS**  78.1146.950-72.1-81.549.100115.4
465P44.2Very low34.6Very low97 Ų97128.1 Ų128.163%0.6374%0.741SS**  cis-122.4-177.9-17.434.6-14000112.3
466I36.4Very low34.6Very low159 Ų159131 Ų13182%0.81575%0.748SS**  -166.4147.779.9-78.5164.6000109.1
467P37.8Very low34.4Very low107 Ų107128.3 Ų128.370%0.69575%0.747SS**  trans-126-161.7-160.742.8-26.2000116.4
468L35.6Very low34.1Very low168 Ų168125.9 Ų125.988%0.8874%0.742SS**  trans93.5143.9175-55166.6000115.4
469A34.8Very low34.1Very low76 Ų76127.1 Ų127.163%0.62874%0.743SS**  cis-168.1126.6-19.100000107.3
470E31.4Very low34Very low176 Ų176127.4 Ų127.482%0.82275%0.745SS**  60.1101.6104.1-73.6-177.9163.100115.5
471T31.2Very low34Very low121 Ų121126.5 Ų126.574%0.74274%0.744SS**  93.7114.576.850.60000115.6
472S31.1Very low33.8Very low104 Ų104121.5 Ų121.573%0.72774%0.736SS**  trans40.2136.814360.70000123.4
473S32.7Very low33.9Very low85 Ų85125.5 Ų125.559%0.59474%0.741SS**  trans120.8127.1132.176.20000119.4
474S31Very low33.8Very low97 Ų97123.7 Ų123.768%0.67874%0.74SS**  trans46112.9145.153.20000123.4
475S30.4Very low33.4Very low100 Ų100120 Ų12070%0.69973%0.733SS**  88.8164117.879.60000121.6
476I31.5Very low32.9Very low150 Ų150122.7 Ų122.777%0.76974%0.741SS**  trans78.5122.2163.6-64.1166.1000117.1
477C28.2Very low32.7Very low113 Ų113123.7 Ų123.776%0.76474%0.74SS**  trans24.1157.8142.6-58.80000122.2
478S29.5Very low32.6Very low93 Ų93124.5 Ų124.565%0.6574%0.743SS**  cis-177.3164.6-14.8-90.10000107.2
479N30.2Very low32.5Very low156 Ų156121.3 Ų121.383%0.83474%0.735SS**  trans67.9130173.9-53.9-22000114.1
480S31.1Very low33Very low110 Ų110123.5 Ų123.577%0.76974%0.743SS**  cis75.3101.949.8-1700000114.1
481S36Very low33.4Very low97 Ų97122.3 Ų122.368%0.67875%0.747SS**  172.7158.6108.154.40000114.2
482N32.9Very low33.8Very low144 Ų144120 Ų12077%0.7775%0.747SS**  trans6199.6153.7-58.3-33.8000122
483L36.9Very low34.1Very low148 Ų148123.2 Ų123.278%0.77576%0.756SS**  18.1140.7112.5-88.7163.3000119
484P37.1Very low34.3Very low127 Ų127125.4 Ų125.483%0.82577%0.766SS**  -137.1164.380.239.6-28000117
485S31.2Very low34.7Very low93 Ų93124.7 Ų124.765%0.6577%0.766SS**  trans-93.9151.8178.354.90000113.8
486L33.8Very low35.1Very low153 Ų153126.4 Ų126.480%0.80177%0.767SS**  trans-157.2131149.1-98.5126.2000113.1
487F31.9Very low35.2Very low180 Ų180125.8 Ų125.879%0.78976%0.764SS**  trans30.3140.3134.1-68.7-107.6000119.9
488T36.2Very low35.6Very low123 Ų123124.3 Ų124.376%0.75576%0.76SS**  cis-171.2179480000108.3
489S33.1Very low35.9Very low102 Ų102126 Ų12671%0.71377%0.767SS**  cis-165.8156.2-3.638.80000110
490P45.6Very low36.1Very low121 Ų121126.8 Ų126.879%0.78677%0.77SS**  trans-106164.1-17940-34.4000115.5
491T40.7Very low36Very low151 Ų151126 Ų12693%0.92677%0.77SS**  trans-154.3138169.333.30000114.3
492G38.5Very low35.9Very low72 Ų72125.9 Ų125.974%0.74278%0.775SS**  trans101.4125.4167.200000114.9
493L38.7Very low35.9Very low172 Ų172127.2 Ų127.290%0.90178%0.781SS**  cis-130.5158.9-1.9-90.685.1000112.3
494T36.8Very low35.6Very low132 Ų132125.7 Ų125.781%0.8178%0.783SS**  trans-58.8153.3163.535.80000112.9
495A39.3Very low35.4Very low81 Ų81124.7 Ų124.767%0.66979%0.785SS**  cis-163.2-157-700000107.7
496N38.2Very low35.6Very low137 Ų137124.7 Ų124.773%0.73379%0.791SS**  cis-165.2166.312.4-147.56000113.8
497I33.9Very low35.6Very low136 Ų136125.1 Ų125.170%0.69779%0.792SS**  trans36.8112.5157.4-64.6161.4000120.4
498A35.4Very low35.8Very low83 Ų83122.2 Ų122.269%0.68679%0.789SS**  trans46148.7136.600000121.4
499T37.5Very low35.7Very low129 Ų129123 Ų12379%0.79179%0.794SS**  cis-159.3173.932.6-38.10000111.5
500L33.7Very low35.8Very low171 Ų171123.8 Ų123.890%0.89580%0.799SS**  trans82133.4168.4-70.8157000117.4
501A28.2Very low35.3Very low94 Ų94120.8 Ų120.878%0.77779%0.79SS**  trans-143.7-169.9-178.800000108.9
502A34.4Very low35.1Very low94 Ų94120.3 Ų120.378%0.77779%0.787SS**  trans76.3139.3-162.800000112.8
503L33.8Very low35.2Very low172 Ų172122.1 Ų122.190%0.90179%0.785SS**  cis-129.1152.516.9-155.571.5000112.2
504S29.1Very low35.1Very low117 Ų117119.7 Ų119.782%0.81878%0.778SS**  trans-150.3131.8178.255.50000113.9
505A34Very low34.9Very low105 Ų105119.2 Ų119.287%0.86878%0.775SS**  trans162150.1167.600000107.6
506A34.5Very low34.6Very low93 Ų93121.2 Ų121.277%0.76978%0.778SS**  cis-161-170.7-16.600000105.8
507I35.2Very low34.3Very low163 Ų163121.1 Ų121.184%0.83678%0.778SS**  cis-138.2179.611.5-55166.2000108
508T34.8Very low34Very low119 Ų119120.5 Ų120.573%0.7378%0.781SS**  trans-120.8152.9-166.149.10000115.6
509V34.9Very low33.7Very low140 Ų140123.5 Ų123.585%0.84878%0.784SS**  trans68.3144.1150.8166.90000117.4
510S34.9Very low33.2Very low118 Ų118123.5 Ų123.583%0.82578%0.784SS**  cis-148.1-164.6-2.4-134.30000108.7
511G36.1Very low33.2Very low58 Ų58121.2 Ų121.260%0.59878%0.777SS**  cis171.5137.2-0.600000108.3
512V35.2Very low33Very low140 Ų140124.8 Ų124.885%0.84878%0.783SS**  73.5123.974.9174.50000114.9
513P41.9Very low32.8Very low110 Ų110125.5 Ų125.571%0.71478%0.777SS**  cis-143.5-164.4-2639.1-17.3000115.3
514T35.8Very low32.4Very low121 Ų121124 Ų12474%0.74278%0.776SS**  trans12094.8144.2-35.10000120.8
515V32.2Very low32.5Very low123 Ų123124.9 Ų124.975%0.74577%0.77SS**  trans22.8125.2137.3-1580000121.9
516T34Very low32.1Very low122 Ų122126.4 Ų126.475%0.74876%0.764SS**  174.5121.9110.4-65.90000115
517N30.5Very low31.9Very low136 Ų136127.5 Ų127.573%0.72776%0.764SS**  trans22.2140154.1-63.4-19.8000126
518T29.2Very low31.6Very low123 Ų123125.3 Ų125.376%0.75576%0.759SS**  trans83.5131.8136.838.10000124.2
519I28.2Very low31.5Very low146 Ų146129.4 Ų129.475%0.74977%0.766SS**  trans77.3111.1143.9-66.4164.9000118.8
520T27.6Very low31.4Very low128 Ų128127.3 Ų127.379%0.78576%0.758SS**  trans40.5106.5142.4-47.70000119.8
521T32.1Very low31.3Very low124 Ų124129 Ų12976%0.76176%0.757SS**  trans-165.8155.3139.37.30000111.4
522N25Very low31.4Very low168 Ų168131.7 Ų131.790%0.89876%0.764SS**  trans-76.7128.1168.5-62.9-31000109.1
523V29.9Very low31.1Very low109 Ų109131.7 Ų131.766%0.66176%0.758SS**  trans-139.2109.8170.6-158.20000111.6I525V523-I525 HydrophobicContact CG1-CD1 3.98Å; V523-I525 HydrophobicContact CG1-CG1 3.51Å
524T25.1Very low30.7Very low142 Ų142133.8 Ų133.887%0.87176%0.762SS**  trans-84.3123.2157.4-57.70000107.4
525I32Very low30.6Very low134 Ų134132.6 Ų132.669%0.68776%0.758SS**  trans-113.9123.7171.1-55.8-173.6000109.5V523V523-I525 HydrophobicContact CG1-CD1 3.98Å; V523-I525 HydrophobicContact CG1-CG1 3.51Å
526N24.7Very low30.7Very low138 Ų138132.9 Ų132.974%0.73876%0.756SS**  trans-109.2128.8173.1-174.16.3000107.9
527C31.3Very low31.2Very low116 Ų116132.5 Ų132.578%0.78476%0.755SS**  trans-127.8105.3-176-82.20000111.1
528T29.4Very low31.4Very low117 Ų117132.1 Ų132.172%0.71875%0.753SS**  trans-108.3136.8178.950.20000111.9
529K30.8Very low32.1Very low204 Ų204131.2 Ų131.289%0.88775%0.75SS**  trans168.7142.7157.5-97.7159.4-179.3-179.80108.3
530S33.4Very low32.6Very low96 Ų96132.1 Ų132.167%0.67176%0.755SS**  cis164115.6-27.546.50000106.2
531L33.2Very low33Very low155 Ų155129 Ų12981%0.81275%0.748SS**  trans31139.3146.2-70.9161.2000121
532P37.8Very low33.5Very low113 Ų113129.5 Ų129.573%0.73475%0.752SS**  -132.7154.671.39.116.2000115.4
533I30.1Very low34Very low141 Ų141124.7 Ų124.772%0.72374%0.741SS**  68.2128.775.1-52164.1000112
534L32.5Very low34.4Very low153 Ų153125 Ų12580%0.80175%0.748SS**  cis-157.7164.428-162.459000115.3
535S34.8Very low35Very low96 Ų96124.7 Ų124.767%0.67175%0.746SS**  trans55.3108148.753.80000125.2
536N32.3Very low35.2Very low129 Ų129122.1 Ų122.169%0.6975%0.753SS**  15.4158.4107.9-113.4-0.5000121
537P45.9Very low35.7Very low114 Ų114120.1 Ų120.174%0.7476%0.756SS**  cis-144151.437.538.5-17.6000120.9
538N34.6Very low35.7Very low128 Ų128121.4 Ų121.468%0.68475%0.754SS**  26.2171.9117.8-79.20.3000122.2
539P44.7Very low35.9Very low104 Ų104124 Ų12468%0.67576%0.756SS**  cis-144.2-171.88.921.67.6000118.6
540L37.6Very low35.8Very low166 Ų166120 Ų12087%0.86974%0.744SS**  trans89.9138.3143.7-84.3153.7000122.7
541G36.7Very low35.7Very low62 Ų62122.2 Ų122.264%0.63975%0.748SS**  trans133.853.1170.600000116.5
542T41.3Very low35.6Very low135 Ų135123.5 Ų123.583%0.82875%0.754SS**  48.2123.9104.862.70000116.8
543G36.3Very low35.4Very low66 Ų66123 Ų12368%0.6875%0.751SS**  cis160.1-173.6-3.100000113
544S39Very low35.3Very low116 Ų116121.7 Ų121.781%0.81175%0.753SS**  trans72.2147.3168.281.70000117.5
545T37.6Very low35.2Very low135 Ų135119.7 Ų119.783%0.82875%0.752SS**  cis-162.7142.1-9.97.50000112.4
546G34.5Very low35.1Very low80 Ų80123.2 Ų123.283%0.82576%0.758SS**  trans71.7163.3160.700000116.5
547A35.8Very low34.9Very low97 Ų97122.4 Ų122.480%0.80275%0.753SS**  cis-167.8158.1-10.600000106.8
548L32.7Very low34.2Very low143 Ų143118.9 Ų118.975%0.74973%0.731SS**  cis-163.7157.3-7.2-122177.5000107.8
549F33.3Very low34Very low171 Ų171115.5 Ų115.575%0.7572%0.717SS**  trans57.7116.1177.8-70.7-92.3000116.5
550N28.6Very low33.3Very low120 Ų120118.2 Ų118.264%0.64272%0.719SS**  93.9122.950.3-81.3-36.4000114.1
551L29.8Very low32.9Very low143 Ų143116.4 Ų116.475%0.74971%0.71SS**  trans50.499.4136.7-62.1164.4000118.3
552L32.1Very low32.6Very low181 Ų181118.8 Ų118.895%0.94871%0.712SS**  trans-138.699.7148.2-144.177000110.6
553P32.4Very low32Very low102 Ų102119.1 Ų119.166%0.66271%0.714SS**  trans-104.5158.2179.437.9-32.2000113.8
554C28.2Very low31.8Very low114 Ų114121.2 Ų121.277%0.7772%0.715SS**  trans56.9113.7150.4-63.90000121.4
555S31.1Very low31.4Very low111 Ų111123.4 Ų123.478%0.77672%0.716SS**  66.3138.2125.4-47.80000121.4
556Q31.8Very low31.1Very low171 Ų171122.4 Ų122.480%0.79971%0.71SS**  -178.2146.8123.3-84.5-110.3-34.800113.1
557L29.3Very low31Very low112 Ų112124.5 Ų124.559%0.58671%0.709SS**  trans-1.3135.5156.4-69.194.6000119.6
558S30.3Very low30.6Very low39 Ų39128.4 Ų128.427%0.27371%0.71SS.*  78.5134.262.197.90000114G348 D349G348-S558 VanDerWaalsContact C-CB 3.5Å; D349-S558 VanDerWaalsContact O-CA 3.24Å; D349-S558 WeakPolarHBondContact O-CA 3.43Å; D349-S558 PolarHBondContact O-N 3.48Å
559S31.1Very low30.2Very low57 Ų57126.9 Ų126.940%0.39971%0.706SS.*  165.9-175.459.339.90000112.4
560F29.7Very low30.1Very low162 Ų162125.6 Ų125.671%0.71171%0.713SS**  trans74.3151.9166.7-56-70.5000118.6L350L350-F560 WeakPolarHBondContact CD2-O 3.21Å
561N30.2Very low29.9Very low127 Ų127124.3 Ų124.368%0.67971%0.709SS**  cis-151.8127.6-7.4-124.9-5.7000107
562V28.7Very low30Very low113 Ų113122.8 Ų122.869%0.68571%0.71SS**  54.3112.675-172.20000115.8
563T29.5Very low29.9Very low142 Ų142120.2 Ų120.287%0.87170%0.697SS**  -168142.4122.9140000112.1
564P31.6Very low30Very low109 Ų109123.4 Ų123.471%0.70871%0.709SS**  trans-114.6173.4-179.841.9-33.8000113.8
565I31.9Very low30.1Very low162 Ų162122.5 Ų122.583%0.83170%0.704SS**  trans-144.6120.6155.4-91.2122000111.9
566V31.2Very low30.1Very low114 Ų114125.6 Ų125.669%0.69171%0.71SS**  trans28.7119.8145.8-169.10000120.7
567P31Very low29.9Very low125 Ų125122.3 Ų122.381%0.81270%0.701SS**  trans-86.1153.2154.636.2-32.1000111.7
568H28.7Very low29.7Very low179 Ų179125.4 Ų125.483%0.82972%0.715SS**  trans-118.1139.7174.1-145.7-76.1000112.3
569V24.2Very low29.6Very low110 Ų110128.6 Ų128.667%0.66774%0.737SS**  trans-93.2140-176.2175.40000111.1V571V569-V571 HydrophobicContact CG1-CG2 3.78Å
570V29.6Very low29.4Very low145 Ų145133.1 Ų133.188%0.87976%0.755SS**  trans-138.2144.3152.1-1790000107.7
571V25.5Very low29.3Very low93 Ų93130.8 Ų130.856%0.56476%0.756SS**  trans-120.2135.2-169.6174.70000111.5V569 N573V569-V571 HydrophobicContact CG1-CG2 3.78Å; V571-N573 WeakPolarHBondContact CG1-OD1 3.28Å
572S31.6Very low29.1Very low111 Ų111131.1 Ų131.178%0.77676%0.758SS**  trans-157118.3144.4-79.10000106.3
573N30.6Very low29.3Very low127 Ų127132.5 Ų132.568%0.67976%0.761SS**  56.399.965.4-55.3-8.7000109.1V571V571-N573 WeakPolarHBondContact CG1-OD1 3.28Å
574D34.7Very low29.2Very low169 Ų169130.8 Ų130.890%0.90476%0.755SS**  -14617171.1-85.8-35.4000115.2
575S28.9Very low29.4Very low94 Ų94130.2 Ų130.266%0.65775%0.754SS**  trans-109.6131.4-168.358.30000114.6
576I32.4Very low29.5Very low177 Ų177130.2 Ų130.291%0.90876%0.755SS**  trans-123.598.8149.3-60.5-177000108
577T26.6Very low29.8Very low101 Ų101129.2 Ų129.262%0.6275%0.751SS**  trans-103.2153.2177.923.10000111
578M25.6Very low29.9Very low177 Ų177131.6 Ų131.687%0.87275%0.749SS**  trans69.4159.1169.2-59.2174.1-71.100115
579S28.7Very low29.9Very low107 Ų107129.9 Ų129.975%0.74875%0.745SS**  cis-137.8148.69.853.70000114.1
580I27.3Very low30.2Very low151 Ų151132.7 Ų132.777%0.77476%0.755SS**  trans-76.4145.6169.5-64.5160.7000110.4N582I580-N582 HydrophobicContact CG2-CB 3.6Å
581P27.5Very low30Very low113 Ų113130.2 Ų130.273%0.73475%0.745SS**  trans-132.8128.8130.734.6-23.7000109.6
582N25.5Very low30.2Very low134 Ų134134.2 Ų134.272%0.71776%0.762SS**  cis29.173.617.7-148-3.1000118.1I580I580-N582 HydrophobicContact CG2-CB 3.6Å
583L33.8Very low30.1Very low143 Ų143135.3 Ų135.375%0.74976%0.764SS**  trans-142128.8136.6-124.966.2000104.6
584S27.5Very low30.1Very low105 Ų105132.2 Ų132.273%0.73476%0.762SS**  cis72.850.830.4-161.90000114.8
585S34.8Very low29.9Very low98 Ų98131.6 Ų131.669%0.68576%0.759SS**  trans-157.385.6166.360.10000115
586N34.7Very low30Very low162 Ų162133 Ų13387%0.86676%0.758SS**  -85168.2123.2-69.7-49.1000106.5
587P37.6Very low30Very low93 Ų93130.4 Ų130.460%0.60475%0.746SS**  cis-107.6-166.11.1818.9000110.9
588F32.6Very low30.3Very low175 Ų175133.2 Ų133.277%0.76875%0.752SS**  cis-152.1144.542.8-94.1-101.3000109.5
589L28.5Very low30.6Very low143 Ų143132.1 Ų132.175%0.74975%0.745SS**  57.994.458.5-76.7-177.8000115
590L30.1Very low30.7Very low168 Ų168132.7 Ų132.788%0.8874%0.739SS**  trans-161.7102.1135.4-95.7167.4000104.6
591S26.5Very low30.9Very low94 Ų94131.4 Ų131.466%0.65773%0.733SS**  72116.574.3-170.80000113
592L29.9Very low31Very low176 Ų176133.2 Ų133.292%0.92173%0.731SS**  trans-161.4117.7135.6-107165000108.8
593T28.5Very low31.3Very low134 Ų134133.8 Ų133.882%0.82273%0.73SS**  trans-95.3145.4174.544.50000110.7
594G31.5Very low31.2Very low62 Ų62134.6 Ų134.664%0.63973%0.729SS**  trans154.8144176.100000109.7
595D30Very low31.4Very low157 Ų157134.5 Ų134.584%0.8473%0.729SS**  cis-146139.81.2-70.6-52.3000111.1
596I31.7Very low31.3Very low124 Ų124134.9 Ų134.964%0.63673%0.731SS**  trans-143.6102.1147.2-47.9177.6000107.7
597N30.8Very low31.1Very low122 Ų122135.4 Ų135.465%0.65273%0.733SS**  trans159.8125.7131.9-90.8-69.7000113.3
598Q32.4Very low30.8Very low159 Ų159135 Ų13574%0.74374%0.738SS**  trans53.9116.2130.8-61-175.717.800121.7
599H32.9Very low30.9Very low155 Ų155131.9 Ų131.972%0.71874%0.736SS**  73.8131.9127-92.5-78.5000122.4
600N30.6Very low30.8Very low119 Ų119130 Ų13064%0.63673%0.734SS**  trans81121.7131.8-83.3-0.3000121.4
601I30.8Very low31.1Very low124 Ų124128.5 Ų128.564%0.63673%0.726SS**  85.9103.7121.9-71.8175.3000118.1
602Q30.5Very low31.2Very low151 Ų151131 Ų13171%0.70673%0.732SS**  trans72.5152.2130.2-69.1-178.1-32.700121.2
603Q32Very low31.4Very low146 Ų146127.3 Ų127.368%0.68272%0.72SS**  trans72.5109.5151.7-75166.53.600116.6
604Q32Very low31.6Very low159 Ų159126.5 Ų126.574%0.74372%0.72SS**  77.994.596.4-76.3174.2-21.400111.7
605S31.2Very low31.8Very low103 Ų103127.5 Ų127.572%0.7272%0.722SS**  74.4122.276.472.20000114.4
606S32.3Very low31.9Very low106 Ų106128.9 Ų128.974%0.74172%0.724SS**  160.9140.7121.355.80000114.8
607L31.7Very low32Very low173 Ų173128.4 Ų128.491%0.90673%0.726SS**  trans74.6136.3145.3-65.1159.8000123.1
608A29.6Very low32.1Very low86 Ų86129 Ų12971%0.71174%0.735SS**  trans-76178.9174.400000113.1
609P34.7Very low32.3Very low109 Ų109124.7 Ų124.771%0.70873%0.732SS**  -124.6169.955.517.18000113.2
610S27.6Very low32.5Very low102 Ų102125.4 Ų125.471%0.71374%0.741SS**  58152.552.965.10000114.1
611I36.2Very low32.9Very low138 Ų138124.6 Ų124.671%0.70874%0.742SS**  cis-157.6144.142.6-65.5163.6000111.6
612N29.3Very low33Very low146 Ų146123.7 Ų123.778%0.78175%0.746SS**  trans19.1160.3147-45.3-13.9000122.2
613S33.6Very low33.2Very low98 Ų98120.9 Ų120.969%0.68574%0.744SS**  cis-168.9160.142.1-50.30000115.7
614S32.7Very low33.4Very low118 Ų118119.1 Ų119.183%0.82575%0.748SS**  trans62.5139.6153.945.20000120.5
615A34.7Very low33.5Very low82 Ų82117.8 Ų117.868%0.67875%0.75SS**  cis-162.7153.6-5.900000113.1
616Q31.7Very low33.4Very low187 Ų187120.7 Ų120.787%0.87476%0.757SS**  trans62.2145154.9-73.6-178.4-44.200119.6
617V33.8Very low33.4Very low113 Ų113121.7 Ų121.769%0.68576%0.758SS**  cis-158146.3-12.9104.60000110.9
618T34.2Very low33.2Very low136 Ų136116.1 Ų116.183%0.83474%0.743SS**  trans49.1134.9167.555.90000121.4
619G35.2Very low33.2Very low67 Ų67121.5 Ų121.569%0.69175%0.751SS**  cis163.7154.4-11.100000116.4
620L38.6Very low32.9Very low171 Ų171126 Ų12690%0.89576%0.762SS**  trans77.3151.8155.5-98.576.9000119.3
621P37.5Very low32.8Very low101 Ų101124 Ų12466%0.65676%0.758SS**  -142.3-178.4-93.144.4-27.9000116.8
622S32.9Very low32.7Very low105 Ų105125.4 Ų125.473%0.73477%0.766SS**  trans68.2151.9144.8-67.80000120
623S36.4Very low32.6Very low93 Ų93126.4 Ų126.465%0.6577%0.766SS**  cis-173.1156.8-18.1-94.70000109.1
624S36.1Very low32.2Very low109 Ų109130.9 Ų130.976%0.76277%0.769SS**  trans60.8156.3149.653.80000120.5
625T33.1Very low32Very low130 Ų130132.9 Ų132.980%0.79877%0.77SS**  cis-159.5151.4-22.7-88.60000109.1V627T625-V627 PolarHBondContact O-N 3.03Å
626L30.2Very low31.7Very low165 Ų165133.1 Ų133.186%0.86477%0.767SS**  trans-47.5114.6173.817874.8000116.5
627V31.6Very low31.7Very low126 Ų126128.2 Ų128.276%0.76477%0.767SS**  trans-151.5137.7147.5-163.10000104T625T625-V627 PolarHBondContact O-N 3.03Å
628G27.3Very low31.8Very low57 Ų57126.6 Ų126.659%0.58876%0.76SS**  cis108.1138.334.600000108.7
629F29.8Very low32.3Very low199 Ų199126.8 Ų126.887%0.87376%0.756SS**  trans76.697.8179.9-62.4-85.9000119.9
630H27.7Very low32.5Very low202 Ų202129.7 Ų129.794%0.93576%0.755SS**  17.4111.1121.8-150.2-89.7000118.9
631G26.7Very low32.7Very low61 Ų61126.5 Ų126.563%0.62974%0.737SS**  trans151.1167.1166.200000114.4
632L33.8Very low32.9Very low168 Ų168124 Ų12488%0.8873%0.726SS**  trans63.5105.7177.5-48.2-178.4000114.2
633Q27.7Very low33.1Very low167 Ų167124.2 Ų124.278%0.7873%0.725SS**  cis74.8110.741.4-160.4-180-64.500114.2
634Y24.9Very low33.4Very low192 Ų192127.5 Ų127.575%0.75373%0.732SS**  trans56.1116.1161.6-81.9-124.1000118.6
635N29.1Very low34.1Very low159 Ų159125.3 Ų125.385%0.8573%0.726SS**  -149.4153.9104.8-1530.3000113.1
636S28.5Very low35.1Very low87 Ų87127.3 Ų127.361%0.60873%0.732SS**  trans-71.9156.9-167.5-40.30000115.8S638S636-S638 PolarHBondContact O-N 3.47Å
637G30.6Very low36.6Very low85 Ų85128.3 Ų128.388%0.87673%0.725SS**  trans8511.3131.800000120.4
638S37.1Very low38.4Very low78 Ų78125.8 Ų125.855%0.54571%0.71SS.*  trans-111.8127.1-178.4-64.20000114.4S636 I640S636-S638 PolarHBondContact O-N 3.47Å; S638-I640 VanDerWaalsContact C-N 3.28Å; S638-I640 PolarHBondContact O-N 3.17Å
639N43.3Very low40.9Very low141 Ų141123.8 Ų123.875%0.75469%0.688SS**  trans-75.575.7168.6-74.1-42.7000110.3R651N639-R651 PolarHBondContact OD1-O 2.98Å
640I39.2Very low43.7Very low128 Ų128119.1 Ų119.166%0.65667%0.665SS**  trans-80.7125.2-179.2-59.8177.2000110.1S638S638-I640 VanDerWaalsContact C-N 3.28Å; S638-I640 PolarHBondContact O-N 3.17Å
641I42.8Very low46.8Very low103 Ų103114.3 Ų114.353%0.52864%0.639SS.*  trans-85.6137.6-177.5-63.1160.4000109.8V648I641-V648 HydrophobicContact CD1-CG1 3.89Å; I641-V648 HydrophobicContact CG1-CG1 3.99Å; I641-V648 HydrophobicContact CG2-CG1 3.89Å
642A42Very low49.9Very low50 Ų50115.2 Ų115.241%0.41362%0.624SS.*  trans-114118166.900000109.4M644 A649A642-M644 PolarHBondContact O-N 3.24Å; A642-A649 VanDerWaalsContact O-CB 3.24Å; A642-A649 WeakPolarHBondContact O-CB 3.2Å
643P36.9Very low52.7Low109 Ų109110.7 Ų110.771%0.70860%0.602SS**BIsolated β-bridgetrans-74.5118.1179.329-32.7000110.7
644M42.3Very low55.7Low162 Ų162103.6 Ų103.680%0.79857%0.57SS**  trans-131.983.7175.2-74.1-70.617800108.4A642A642-M644 PolarHBondContact O-N 3.24Å
645G51.3Low58.7Low63 Ų6397.6 Ų97.665%0.64956%0.556SS**SBendtrans77.7-171-169.700000113.5Y647G645-Y647 PolarHBondContact O-N 2.92Å
646N55.1Low61.6Low171 Ų17190.1 Ų90.191%0.91452%0.516SS*.SBendtrans-72.918.4-171-72.4-0000115.4
647Y61.2Low64.3Low186 Ų18686.5 Ų86.573%0.72949%0.491SS*.SBendtrans-122.5135.3176.6-71.3-82.8000110.7G645 A649G645-Y647 PolarHBondContact O-N 2.92Å; Y647-A649 PolarHBondContact O-N 2.82Å
648V69.3Low66.9Low73 Ų7383.7 Ų83.744%0.44245%0.454SS..BIsolated β-bridgetrans-63.8116.2169.2175.70000107.8I641 Y650I641-V648 HydrophobicContact CD1-CG1 3.89Å; I641-V648 HydrophobicContact CG1-CG1 3.99Å; I641-V648 HydrophobicContact CG2-CG1 3.89Å; V648-Y650 HydrophobicContact CB-CE2 3.91Å; V648-Y650 HydrophobicContact CG1-CD2 4.21Å; V648-Y650 HydrophobicContact CG1-CE2 3.74Å; V648-Y650 WeakPolarHBondContact O-CD2 3.47Å; V648-Y650 WeakPolarHBondContact O-CE2 3.42Å; V648-Y650 PolarHBondContact O-N 3.15Å
649A79.7Confident69.2Low15 Ų1582.4 Ų82.412%0.12445%0.446CS..PPolyproline II helixtrans-76.7116.5173.500000109.5A642 Y647 I703A642-A649 VanDerWaalsContact O-CB 3.24Å; A642-A649 WeakPolarHBondContact O-CB 3.2Å; Y647-A649 PolarHBondContact O-N 2.82Å; A649-I703 HydrophobicContact CB-CG2 4.19Å
650Y89.5Confident71.4Confident101 Ų10175.7 Ų75.740%0.39641%0.41SS..EExtended strand (participates in β ladder)trans-84.7143.7174-71.6-104.6000109.2V648 I703 G704 Q706V648-Y650 HydrophobicContact CB-CE2 3.91Å; V648-Y650 HydrophobicContact CG1-CD2 4.21Å; V648-Y650 HydrophobicContact CG1-CE2 3.74Å; V648-Y650 WeakPolarHBondContact O-CD2 3.47Å; V648-Y650 WeakPolarHBondContact O-CE2 3.42Å; V648-Y650 PolarHBondContact O-N 3.15Å; Y650-I703 WeakPolarHBondContact O-CA 3.37Å; Y650-G704 PolarHBondContact N-O 3.17Å; Y650-G704 PolarHBondContact O-N 3.26Å; Y650-G704 VanDerWaalsContact O-N 3.09Å; Y650-Q706 HydrophobicContact CD1-CB 4.14Å; Y650-Q706 HydrophobicContact CD1-CG 3.9Å; Y650-Q706 HydrophobicContact CD2-CB 3.61Å; Y650-Q706 HydrophobicContact CD2-CG 4.3Å; Y650-Q706 HydrophobicContact CE1-CB 4.23Å; Y650-Q706 HydrophobicContact CE1-CG 3.95Å; Y650-Q706 HydrophobicContact CE2-CB 3.75Å; Y650-Q706 HydrophobicContact CE2-CG 4.38Å; Y650-Q706 HydrophobicContact CG-CB 3.84Å; Y650-Q706 HydrophobicContact CG-CG 4.09Å; Y650-Q706 VanDerWaalsContact CZ-OE1 3.27Å; Y650-Q706 PolarHBondContact OH-OE1 3.47Å
651R91.3Very high73.7Confident102 Ų10269.6 Ų69.639%0.38538%0.379SS..EExtended strand (participates in β ladder)trans-121.2112.8177.4-178179.6179.3-133.1-7.1109.6N639 V653 T701 I702 I703N639-R651 PolarHBondContact OD1-O 2.98Å; R651-V653 HydrophobicContact CG-CG2 4.21Å; R651-T701 HydrophobicContact CG-CG2 3.95Å; R651-T701 VanDerWaalsContact NE-CG2 3.26Å; R651-T701 PolarHBondContact NH2-OG1 2.99Å; R651-T701 VanDerWaalsContact NH2-OG1 3.09Å; R651-I702 CarbonylContact C-O 3.5Å; R651-I702 VanDerWaalsContact CA-O 3.32Å; R651-I702 WeakPolarHBondContact CA-O 3.37Å; R651-I703 HydrophobicContact CB-CG1 4.36Å; R651-I703 HydrophobicContact CG-CG1 4.05Å
652R92.2Very high75.9Confident80 Ų8069.7 Ų69.730%0.30238%0.38SS..EExtended strand (participates in β ladder)trans-102.7144.1169.7-174.3159.3167.9138.61.1109.4I654 I702 V709 Q710 A713 E717R652-I654 HydrophobicContact CG-CG1 4.21Å; R652-I702 PolarHBondContact N-O 3.25Å; R652-I702 PolarHBondContact O-N 3.49Å; R652-V709 HydrophobicContact CB-CG1 3.52Å; R652-Q710 VanDerWaalsContact NH1-NE2 3.15Å; R652-A713 VanDerWaalsContact CD-CB 3.48Å; R652-A713 HydrophobicContact CG-CB 4.3Å; R652-A713 VanDerWaalsContact NE-CB 3.3Å; R652-E717 IonicContact CZ-OE1 2.7Å; R652-E717 IonicContact NE-OE1 3.96Å; R652-E717 PolarHBondContact NE-OE1 2.86Å; R652-E717 VanDerWaalsContact NH2-CD 3.32Å; R652-E717 IonicContact NH2-OE1 3.96Å; R652-E717 PolarHBondContact NH2-OE1 2.89Å; R652-E717 IonicContact NH2-OE2 3.72Å; R652-E717 PolarHBondContact NH2-OE2 2.86Å; R652-E717 VanDerWaalsContact NH2-OE2 3.15Å
653V91.7Very high78.1Confident72 Ų7270.8 Ų70.844%0.43638%0.378SS..EExtended strand (participates in β ladder)trans-131.2123.3-175.7-177.10000108.5R651 T699 V700R651-V653 HydrophobicContact CG-CG2 4.21Å; V653-T699 HydrophobicContact CG1-CG2 3.3Å; V653-V700 CarbonylContact C-O 3.46Å; V653-V700 WeakPolarHBondContact CA-O 3.47Å
654I90.8Very high80.6Confident18 Ų1865.6 Ų65.69%0.09235%0.345CS..EExtended strand (participates in β ladder)trans-127.4136.3-170.5-49172.5000108.7R652 V656 V700 I702 A713 I716 E717R652-I654 HydrophobicContact CG-CG1 4.21Å; I654-V656 HydrophobicContact CG2-CG2 3.99Å; I654-V700 PolarHBondContact N-O 2.88Å; I654-V700 PolarHBondContact O-N 3.01Å; I654-I702 HydrophobicContact CD1-CD1 3.66Å; I654-A713 HydrophobicContact CD1-CB 3.63Å; I654-I716 HydrophobicContact CD1-CG2 4.37Å; I654-E717 HydrophobicContact CD1-CG 4.28Å; I654-E717 WeakPolarHBondContact CD1-OE1 3.26Å; I654-E717 HydrophobicContact CG2-CG 4.12Å
655S88.6Confident82.9Confident67 Ų6760.5 Ų60.547%0.46932%0.32SS..EExtended strand (participates in β ladder)trans-93.1114.4174.5-65.90000110
656V89.4Confident84.5Confident1 Ų158.7 Ų58.71%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-118.5131.5-175.7179.50000110I654 V660 I661 I664 Y697 R698 V700 I716I654-V656 HydrophobicContact CG2-CG2 3.99Å; V656-V660 HydrophobicContact CG1-CB 4.03Å; V656-V660 HydrophobicContact CG1-CG1 4.25Å; V656-I661 HydrophobicContact CG1-CG1 4.14Å; V656-I664 HydrophobicContact CG1-CD1 3.74Å; V656-Y697 WeakPolarHBondContact O-CA 3.38Å; V656-R698 PolarHBondContact N-O 3.35Å; V656-R698 PolarHBondContact O-N 3.04Å; V656-V700 HydrophobicContact CB-CG2 4.06Å; V656-V700 HydrophobicContact CG2-CB 4.42Å; V656-V700 HydrophobicContact CG2-CG2 3.69Å; V656-I716 HydrophobicContact CG2-CG2 3.94Å
657P86.9Confident86Confident12 Ų1258.2 Ų58.28%0.07829%0.293CS..EExtended strand (participates in β ladder)trans-67.8140.9178.627.6-33.5000111.6S659 V660 Y697 T720P657-S659 PolarHBondContact O-N 3.03Å; P657-S659 VanDerWaalsContact O-N 3.07Å; P657-V660 HydrophobicContact CG-CG2 3.94Å; P657-V660 PolarHBondContact O-N 3.07Å; P657-Y697 HydrophobicContact CB-CD1 4.16Å; P657-Y697 HydrophobicContact CB-CE1 4.01Å; P657-Y697 HydrophobicContact CG-CE1 4.17Å; P657-T720 HydrophobicContact CG-CG2 4.19Å
658E83.9Confident87Confident25 Ų2557.7 Ų57.712%0.11730%0.298CS..Hα-helixtrans-58.9-27.9-172.7-179.2166.5-16500113.9V660 I661 K688 Y691 Q696 R698E658-V660 PolarHBondContact O-N 3.48Å; E658-I661 HydrophobicContact CB-CD1 4.25Å; E658-I661 HydrophobicContact CG-CD1 4.48Å; E658-I661 PolarHBondContact O-N 3.47Å; E658-K688 VanDerWaalsContact OE1-CD 3.32Å; E658-K688 WeakPolarHBondContact OE1-CD 3.46Å; E658-K688 WeakPolarHBondContact OE1-CE 3.47Å; E658-K688 IonicContact OE1-NZ 2.72Å; E658-K688 PolarHBondContact OE1-NZ 2.83Å; E658-Y691 VanDerWaalsContact OE2-CE1 3.29Å; E658-Y691 WeakPolarHBondContact OE2-CE1 3.39Å; E658-Y691 PolarHBondContact OE2-OH 2.95Å; E658-Q696 PolarHBondContact N-O 2.91Å; E658-R698 IonicContact OE1-CZ 3.24Å; E658-R698 IonicContact OE1-NE 2.69Å; E658-R698 IonicContact OE1-NH2 3.7Å; E658-R698 PolarHBondContact OE1-NH2 3.39Å
659S84.8Confident87.9Confident52 Ų5255.4 Ų55.436%0.36429%0.289SS..Hα-helixtrans-58.9-22.8173.453.90000114.3P657 R727P657-S659 PolarHBondContact O-N 3.03Å; P657-S659 VanDerWaalsContact O-N 3.07Å; S659-R727 PolarHBondContact O-NH2 3.27Å; S659-R727 VanDerWaalsContact OG-CZ 3.28Å; S659-R727 PolarHBondContact OG-NH1 3.33Å; S659-R727 VanDerWaalsContact OG-NH1 3.12Å; S659-R727 PolarHBondContact OG-NH2 3.19Å
660V89.6Confident88.3Confident0 Ų063 Ų630%031%0.314CS..Hα-helixtrans-99-25.4178.7-176.40000112.3V656 P657 E658 N662 I663 I664 I719 E723V656-V660 HydrophobicContact CG1-CB 4.03Å; V656-V660 HydrophobicContact CG1-CG1 4.25Å; P657-V660 HydrophobicContact CG-CG2 3.94Å; P657-V660 PolarHBondContact O-N 3.07Å; E658-V660 PolarHBondContact O-N 3.48Å; V660-N662 VanDerWaalsContact C-N 3.25Å; V660-N662 PolarHBondContact O-N 2.96Å; V660-I663 WeakPolarHBondContact O-CB 3.17Å; V660-I663 PolarHBondContact O-N 3.23Å; V660-I664 HydrophobicContact CG1-CD1 3.84Å; V660-I664 HydrophobicContact CG1-CG1 4.24Å; V660-I664 PolarHBondContact O-N 3.18Å; V660-I719 HydrophobicContact CG1-CG2 3.87Å; V660-E723 HydrophobicContact CG2-CB 3.66Å; V660-E723 HydrophobicContact CG2-CG 4.34Å
661I89.3Confident88.3Confident0 Ų060.2 Ų60.20%031%0.309CS..Hα-helixtrans-57.8-37.3-174.8-64.1176.4000112.5V656 E658 I663 I664 L665 I685 R698V656-I661 HydrophobicContact CG1-CG1 4.14Å; E658-I661 HydrophobicContact CB-CD1 4.25Å; E658-I661 HydrophobicContact CG-CD1 4.48Å; E658-I661 PolarHBondContact O-N 3.47Å; I661-I663 PolarHBondContact O-N 3.33Å; I661-I664 PolarHBondContact O-N 2.96Å; I661-L665 HydrophobicContact CG2-CD1 3.8Å; I661-L665 HydrophobicContact CG2-CG 4.13Å; I661-L665 WeakPolarHBondContact O-CB 3.12Å; I661-L665 WeakPolarHBondContact O-CG 3.3Å; I661-L665 PolarHBondContact O-N 3.33Å; I661-I685 HydrophobicContact CD1-CG2 4.29Å; I661-I685 HydrophobicContact CG2-CD1 4.11Å; I661-I685 HydrophobicContact CG2-CG2 4.03Å; I661-R698 HydrophobicContact CD1-CB 3.47Å; I661-R698 VanDerWaalsContact CD1-CB 3.47Å; I661-R698 HydrophobicContact CD1-CG 3.5Å; I661-R698 VanDerWaalsContact CD1-CG 3.5Å
662N87.7Confident88.4Confident104 Ų10456.3 Ų56.356%0.55630%0.296SS*.Hα-helixtrans-63.6-26178.6-60.5-34.8000112.7V660 G666V660-N662 VanDerWaalsContact C-N 3.25Å; V660-N662 PolarHBondContact O-N 2.96Å; N662-G666 WeakPolarHBondContact O-CA 3.33Å; N662-G666 PolarHBondContact O-N 3.11Å
663I89.1Confident88.3Confident74 Ų7458.6 Ų58.638%0.37931%0.312SS..Hα-helixtrans-81.3-42.6177.4-61.3164.2000109.9V660 I661 G666 I719 E723V660-I663 WeakPolarHBondContact O-CB 3.17Å; V660-I663 PolarHBondContact O-N 3.23Å; I661-I663 PolarHBondContact O-N 3.33Å; I663-G666 PolarHBondContact O-N 2.71Å; I663-I719 HydrophobicContact CG2-CG2 4.23Å; I663-E723 HydrophobicContact CD1-CG 3.55Å; I663-E723 WeakPolarHBondContact CD1-OE1 3.19Å
664I89.6Confident88.3Confident0 Ų059.1 Ų59.10%031%0.312CS..Hα-helixtrans-65.1-38.6176.5-64.3161.1000111.6V656 V660 I661 S671 I672 L675 I685 I716 I719V656-I664 HydrophobicContact CG1-CD1 3.74Å; V660-I664 HydrophobicContact CG1-CD1 3.84Å; V660-I664 HydrophobicContact CG1-CG1 4.24Å; V660-I664 PolarHBondContact O-N 3.18Å; I661-I664 PolarHBondContact O-N 2.96Å; I664-S671 CarbonylContact O-C 3.57Å; I664-S671 WeakPolarHBondContact O-CB 3.2Å; I664-I672 PolarHBondContact O-N 3.45Å; I664-I672 VanDerWaalsContact O-N 3.11Å; I664-L675 HydrophobicContact CG2-CD1 4.22Å; I664-I685 HydrophobicContact CG2-CD1 4.17Å; I664-I716 HydrophobicContact CD1-CG2 4.03Å; I664-I716 HydrophobicContact CG2-CG1 4.43Å; I664-I719 HydrophobicContact CG1-CG2 4.04Å
665L88.9Confident88.3Confident54 Ų5459.2 Ų59.228%0.28331%0.312SS..Hα-helixtrans-70.3-44.6172-70.3174.5000111.6I661 G669 R670 S671 I672 I685I661-L665 HydrophobicContact CG2-CD1 3.8Å; I661-L665 HydrophobicContact CG2-CG 4.13Å; I661-L665 WeakPolarHBondContact O-CB 3.12Å; I661-L665 WeakPolarHBondContact O-CG 3.3Å; I661-L665 PolarHBondContact O-N 3.33Å; L665-G669 CarbonylContact O-C 3.57Å; L665-G669 WeakPolarHBondContact O-CA 3.32Å; L665-R670 PolarHBondContact O-N 2.96Å; L665-S671 WeakPolarHBondContact O-CB 3.46Å; L665-S671 PolarHBondContact O-N 3.21Å; L665-I672 HydrophobicContact CD2-CB 4.22Å; L665-I672 HydrophobicContact CD2-CD1 3.96Å; L665-I672 HydrophobicContact CD2-CG2 3.75Å; L665-I672 PolarHBondContact O-N 3.39Å; L665-I685 HydrophobicContact CD2-CD1 3.82Å; L665-I685 HydrophobicContact CG-CD1 4.07Å
666G86.7Confident88.5Confident25 Ų2559.1 Ų59.126%0.25830%0.304SS..  trans67.9177.8-17200000113.3N662 I663 Q668 G669N662-G666 WeakPolarHBondContact O-CA 3.33Å; N662-G666 PolarHBondContact O-N 3.11Å; I663-G666 PolarHBondContact O-N 2.71Å; G666-Q668 PolarHBondContact O-N 2.89Å; G666-G669 PolarHBondContact O-N 3.24Å; G666-G669 VanDerWaalsContact O-N 3.17Å
667H85.8Confident88.5Confident161 Ų16165.7 Ų65.775%0.74534%0.339SS*.G310 helixtrans-63.6127.5-179.7-161.3-108.5000110.7G669 R670H667-G669 PolarHBondContact O-N 2.88Å; H667-G669 VanDerWaalsContact O-N 3.11Å; H667-R670 PolarHBondContact O-N 2.86Å
668Q82.3Confident88.7Confident176 Ų17672 Ų7282%0.82237%0.371SS*.G310 helixtrans54.121.5-174.5-57.9176.715.600115.2G666 R670G666-Q668 PolarHBondContact O-N 2.89Å; Q668-R670 VanDerWaalsContact C-N 3.34Å
669G87Confident89Confident24 Ų2471.6 Ų71.625%0.24737%0.37CS..G310 helixtrans78.610.7-179.500000115.1L665 G666 H667 S671 I672 M673L665-G669 CarbonylContact O-C 3.57Å; L665-G669 WeakPolarHBondContact O-CA 3.32Å; G666-G669 PolarHBondContact O-N 3.24Å; G666-G669 VanDerWaalsContact O-N 3.17Å; H667-G669 PolarHBondContact O-N 2.88Å; H667-G669 VanDerWaalsContact O-N 3.11Å; G669-S671 PolarHBondContact O-N 3.25Å; G669-I672 WeakPolarHBondContact O-CG2 3.33Å; G669-M673 PolarHBondContact O-N 3Å; G669-M673 VanDerWaalsContact O-N 3.16Å
670R88.4Confident89.3Confident176 Ų17671.4 Ų71.466%0.66438%0.377SS*.Hα-helixtrans-59.4-46.1178.3-81.2-164178.1-166.81.8113L665 H667 Q668 I672 M673 D674L665-R670 PolarHBondContact O-N 2.96Å; H667-R670 PolarHBondContact O-N 2.86Å; Q668-R670 VanDerWaalsContact C-N 3.34Å; R670-I672 VanDerWaalsContact C-N 3.3Å; R670-I672 PolarHBondContact O-N 3.34Å; R670-M673 CarbonylContact O-C 3.15Å; R670-M673 PolarHBondContact O-N 3.29Å; R670-D674 WeakPolarHBondContact O-CB 3.48Å; R670-D674 VanDerWaalsContact O-CG 3.31Å; R670-D674 PolarHBondContact O-N 2.68Å
671S91.1Very high89.4Confident41 Ų4171.8 Ų71.829%0.28738%0.379SS..Hα-helixtrans-62.8-36.9-175-168.10000112.2I664 L665 G669 L675I664-S671 CarbonylContact O-C 3.57Å; I664-S671 WeakPolarHBondContact O-CB 3.2Å; L665-S671 WeakPolarHBondContact O-CB 3.46Å; L665-S671 PolarHBondContact O-N 3.21Å; G669-S671 PolarHBondContact O-N 3.25Å; S671-L675 WeakPolarHBondContact O-CB 3.39Å; S671-L675 WeakPolarHBondContact O-CD1 3.37Å; S671-L675 WeakPolarHBondContact O-CG 3.38Å; S671-L675 PolarHBondContact O-N 2.81Å
672I91.8Very high89.5Confident20 Ų2074.6 Ų74.610%0.10340%0.403CS..Hα-helixtrans-72.2-36.6174.3-174.3166.4000112I664 L665 G669 R670 L675 Q676 I683 I685I664-I672 PolarHBondContact O-N 3.45Å; I664-I672 VanDerWaalsContact O-N 3.11Å; L665-I672 HydrophobicContact CD2-CB 4.22Å; L665-I672 HydrophobicContact CD2-CD1 3.96Å; L665-I672 HydrophobicContact CD2-CG2 3.75Å; L665-I672 PolarHBondContact O-N 3.39Å; G669-I672 WeakPolarHBondContact O-CG2 3.33Å; R670-I672 VanDerWaalsContact C-N 3.3Å; R670-I672 PolarHBondContact O-N 3.34Å; I672-L675 PolarHBondContact O-N 2.93Å; I672-Q676 HydrophobicContact CG1-CG 4.38Å; I672-Q676 WeakPolarHBondContact O-CB 3.25Å; I672-Q676 WeakPolarHBondContact O-CG 3.36Å; I672-Q676 PolarHBondContact O-N 3.4Å; I672-I683 HydrophobicContact CD1-CB 4.22Å; I672-I683 HydrophobicContact CD1-CG2 3.94Å; I672-I683 HydrophobicContact CG1-CB 4.24Å; I672-I683 HydrophobicContact CG1-CG2 4.29Å; I672-I685 HydrophobicContact CD1-CD1 4.04Å; I672-I685 HydrophobicContact CD1-CG1 4.03Å
673M90.4Very high89.8Confident129 Ų12970 Ų7064%0.63538%0.378SS*.Hα-helixtrans-66.6-40.9175.3-174.6169.5-74.600112G669 R670 Q676 L677G669-M673 PolarHBondContact O-N 3Å; G669-M673 VanDerWaalsContact O-N 3.16Å; R670-M673 CarbonylContact O-C 3.15Å; R670-M673 PolarHBondContact O-N 3.29Å; M673-Q676 PolarHBondContact O-N 3.38Å; M673-L677 VanDerWaalsContact O-CB 3.31Å; M673-L677 WeakPolarHBondContact O-CB 3.48Å; M673-L677 PolarHBondContact O-N 3.31Å
674D91.6Very high89.9Confident83 Ų8373 Ų7344%0.44439%0.39SS..Hα-helixtrans-66.2-42.3174.7-67.1-38.1000110.8R670 L677 L678R670-D674 WeakPolarHBondContact O-CB 3.48Å; R670-D674 VanDerWaalsContact O-CG 3.31Å; R670-D674 PolarHBondContact O-N 2.68Å; D674-L677 PolarHBondContact O-N 2.86Å; D674-L678 VanDerWaalsContact O-CB 3.28Å; D674-L678 WeakPolarHBondContact O-CB 3.4Å; D674-L678 WeakPolarHBondContact O-CD1 3.38Å; D674-L678 WeakPolarHBondContact O-CG 3.38Å; D674-L678 PolarHBondContact O-N 2.67Å
675L90.7Very high89.9Confident19 Ų1974.4 Ų74.410%0.09940%0.397CS..Hα-helixtrans-61.7-43.6173.2-77.9167.7000112.6I664 S671 I672 T679 I683 V715I664-L675 HydrophobicContact CG2-CD1 4.22Å; S671-L675 WeakPolarHBondContact O-CB 3.39Å; S671-L675 WeakPolarHBondContact O-CD1 3.37Å; S671-L675 WeakPolarHBondContact O-CG 3.38Å; S671-L675 PolarHBondContact O-N 2.81Å; I672-L675 PolarHBondContact O-N 2.93Å; L675-T679 WeakPolarHBondContact O-CB 3.31Å; L675-T679 VanDerWaalsContact O-CG2 3.32Å; L675-T679 WeakPolarHBondContact O-CG2 3.48Å; L675-T679 PolarHBondContact O-N 3.09Å; L675-T679 PolarHBondContact O-OG1 2.79Å; L675-I683 HydrophobicContact CB-CD1 3.92Å; L675-V715 HydrophobicContact CD2-CG1 3.69Å
676Q92.6Very high89.7Confident65 Ų6572.9 Ų72.930%0.30439%0.392SS..Hα-helixtrans-61.9-43.1175.1-73.7174.9-5.900111.3I672 M673 G680 T681 I683I672-Q676 HydrophobicContact CG1-CG 4.38Å; I672-Q676 WeakPolarHBondContact O-CB 3.25Å; I672-Q676 WeakPolarHBondContact O-CG 3.36Å; I672-Q676 PolarHBondContact O-N 3.4Å; M673-Q676 PolarHBondContact O-N 3.38Å; Q676-G680 VanDerWaalsContact O-CA 3.32Å; Q676-G680 WeakPolarHBondContact O-CA 3.42Å; Q676-G680 PolarHBondContact O-N 2.89Å; Q676-T681 WeakPolarHBondContact CA-O 3.4Å; Q676-T681 WeakPolarHBondContact CB-O 3.24Å; Q676-T681 WeakPolarHBondContact CG-O 3.47Å; Q676-T681 PolarHBondContact O-N 3Å; Q676-I683 HydrophobicContact CG-CB 3.93Å; Q676-I683 HydrophobicContact CG-CD1 4.06Å; Q676-I683 HydrophobicContact CG-CG1 3.95Å; Q676-I683 PolarHBondContact NE2-O 2.86Å
677L91.3Very high89.5Confident139 Ų13978.7 Ų78.773%0.72841%0.412SS*.Hα-helixtrans-68.6-44179.6-179.562.6000112.8M673 D674M673-L677 VanDerWaalsContact O-CB 3.31Å; M673-L677 WeakPolarHBondContact O-CB 3.48Å; M673-L677 PolarHBondContact O-N 3.31Å; D674-L677 PolarHBondContact O-N 2.86Å
678L90.5Very high88.9Confident146 Ų14677.9 Ų77.976%0.76441%0.406SS*.Hα-helixtrans-67-38.3179.2-74167.4000112.3D674D674-L678 VanDerWaalsContact O-CB 3.28Å; D674-L678 WeakPolarHBondContact O-CB 3.4Å; D674-L678 WeakPolarHBondContact O-CD1 3.38Å; D674-L678 WeakPolarHBondContact O-CG 3.38Å; D674-L678 PolarHBondContact O-N 2.67Å
679T90.5Very high88Confident15 Ų1573.6 Ų73.69%0.09240%0.396CS..Hα-helixtrans-91.5-20.4-177.662.90000113.1L675 T681 N708 A712L675-T679 WeakPolarHBondContact O-CB 3.31Å; L675-T679 VanDerWaalsContact O-CG2 3.32Å; L675-T679 WeakPolarHBondContact O-CG2 3.48Å; L675-T679 PolarHBondContact O-N 3.09Å; L675-T679 PolarHBondContact O-OG1 2.79Å; T679-T681 VanDerWaalsContact C-N 3.29Å; T679-T681 PolarHBondContact OG1-N 3.29Å; T679-T681 PolarHBondContact OG1-OG1 3Å; T679-N708 VanDerWaalsContact O-CB 3.27Å; T679-N708 WeakPolarHBondContact O-CB 3.47Å; T679-N708 PolarHBondContact O-ND2 2.81Å; T679-A712 HydrophobicContact CG2-CB 3.77Å
680G89.7Confident86.9Confident49 Ų4976.3 Ų76.351%0.50541%0.407SS..THydrogen-bonded Turntrans65.331.5-170.100000113Q676Q676-G680 VanDerWaalsContact O-CA 3.32Å; Q676-G680 WeakPolarHBondContact O-CA 3.42Å; Q676-G680 PolarHBondContact O-N 2.89Å
681T91.6Very high85.6Confident7 Ų771.8 Ų71.84%0.04339%0.391CS..  trans-117.6149.6178.567.60000111.8Q676 T679 I683 I702 I703 N708 V709 A712Q676-T681 WeakPolarHBondContact CA-O 3.4Å; Q676-T681 WeakPolarHBondContact CB-O 3.24Å; Q676-T681 WeakPolarHBondContact CG-O 3.47Å; Q676-T681 PolarHBondContact O-N 3Å; T679-T681 VanDerWaalsContact C-N 3.29Å; T679-T681 PolarHBondContact OG1-N 3.29Å; T679-T681 PolarHBondContact OG1-OG1 3Å; T681-I683 WeakPolarHBondContact OG1-CG1 3.32Å; T681-I702 HydrophobicContact CG2-CG2 4.19Å; T681-I703 CarbonylContact C-O 3.42Å; T681-I703 WeakPolarHBondContact CA-O 3.43Å; T681-I703 WeakPolarHBondContact CB-O 3.39Å; T681-N708 VanDerWaalsContact CG2-C 3.45Å; T681-N708 HydrophobicContact CG2-CB 3.69Å; T681-N708 WeakPolarHBondContact CG2-O 3.28Å; T681-V709 HydrophobicContact CG2-CG2 4.09Å; T681-A712 HydrophobicContact CG2-CB 4.13Å
682A92.4Very high84.3Confident60 Ų6073.8 Ų73.850%0.49640%0.398SS..EExtended strand (participates in β ladder)trans-87.4110.2168.800000109.4I703A682-I703 HydrophobicContact CB-CB 4.43Å; A682-I703 PolarHBondContact N-O 2.85Å; A682-I703 PolarHBondContact O-N 3.48Å
683I93Very high82.6Confident8 Ų878.2 Ų78.24%0.04143%0.431CS..EExtended strand (participates in β ladder)trans-104.3120-179.1-54.6170.7000108.9I672 L675 Q676 T681 V700 I702 I716I672-I683 HydrophobicContact CD1-CB 4.22Å; I672-I683 HydrophobicContact CD1-CG2 3.94Å; I672-I683 HydrophobicContact CG1-CB 4.24Å; I672-I683 HydrophobicContact CG1-CG2 4.29Å; L675-I683 HydrophobicContact CB-CD1 3.92Å; Q676-I683 HydrophobicContact CG-CB 3.93Å; Q676-I683 HydrophobicContact CG-CD1 4.06Å; Q676-I683 HydrophobicContact CG-CG1 3.95Å; Q676-I683 PolarHBondContact NE2-O 2.86Å; T681-I683 WeakPolarHBondContact OG1-CG1 3.32Å; I683-V700 HydrophobicContact CG2-CG1 3.78Å; I683-I702 HydrophobicContact CG1-CG2 4.38Å; I683-I716 HydrophobicContact CD1-CD1 4.32Å; I683-I716 HydrophobicContact CG2-CD1 4.23Å
684Q91.2Very high81.1Confident135 Ų13576.7 Ų76.763%0.63145%0.448SS*.EExtended strand (participates in β ladder)trans-122127.6-179.3-172.1-176.923.700110.5T701Q684-T701 PolarHBondContact N-O 3.17Å; Q684-T701 PolarHBondContact O-N 3.22Å
685I90.6Very high80Confident30 Ų3074.7 Ų74.715%0.15444%0.44CS..EExtended strand (participates in β ladder)trans-106.9138.9178.9-51.6-169000109.7I661 I664 L665 I672 V700I661-I685 HydrophobicContact CD1-CG2 4.29Å; I661-I685 HydrophobicContact CG2-CD1 4.11Å; I661-I685 HydrophobicContact CG2-CG2 4.03Å; I664-I685 HydrophobicContact CG2-CD1 4.17Å; L665-I685 HydrophobicContact CD2-CD1 3.82Å; L665-I685 HydrophobicContact CG-CD1 4.07Å; I672-I685 HydrophobicContact CD1-CD1 4.04Å; I672-I685 HydrophobicContact CD1-CG1 4.03Å; I685-V700 HydrophobicContact CD1-CG2 4.34Å; I685-V700 HydrophobicContact CG1-CG1 4.31Å; I685-V700 HydrophobicContact CG1-CG2 4.12Å; I685-V700 HydrophobicContact CG2-CG2 4.33Å
686S85.4Confident79.3Confident23 Ų2380.8 Ų80.816%0.16147%0.468CS..  trans-66.6151.7178.175.90000113.1T690 R698 T699S686-T690 PolarHBondContact OG-O 3.06Å; S686-R698 WeakPolarHBondContact O-CD 3.26Å; S686-R698 PolarHBondContact O-NH1 3.34Å; S686-R698 WeakPolarHBondContact OG-CB 3.29Å; S686-T699 PolarHBondContact N-O 2.93Å; S686-T699 PolarHBondContact OG-N 3.41Å
687Q82.3Confident78.9Confident147 Ų14782.4 Ų82.469%0.68747%0.472SS*.  trans-67.2162.6-176.5-61.9-173.55.800111.8S689 T690Q687-S689 PolarHBondContact O-N 3.08Å; Q687-T690 PolarHBondContact O-N 2.75Å; Q687-T690 VanDerWaalsContact O-N 3.14Å
688K71.7Confident78.7Confident144 Ų14476.8 Ų76.863%0.62644%0.442SS*.THydrogen-bonded Turntrans-73.338.9-175.6-164.9167.5174145.50114.4E658 Y691E658-K688 VanDerWaalsContact OE1-CD 3.32Å; E658-K688 WeakPolarHBondContact OE1-CD 3.46Å; E658-K688 WeakPolarHBondContact OE1-CE 3.47Å; E658-K688 IonicContact OE1-NZ 2.72Å; E658-K688 PolarHBondContact OE1-NZ 2.83Å; K688-Y691 WeakPolarHBondContact CG-OH 3.4Å
689S65.1Low78.6Confident86 Ų8671.6 Ų71.660%0.60142%0.416SS*.THydrogen-bonded Turntrans-153.4-19.7179.454.50000111.7Q687 Y691Q687-S689 PolarHBondContact O-N 3.08Å; S689-Y691 VanDerWaalsContact C-N 3.3Å; S689-Y691 PolarHBondContact O-N 3.31Å; S689-Y691 VanDerWaalsContact O-N 3.13Å
690T62.7Low78.7Confident80 Ų8070.9 Ų70.949%0.49141%0.411SS..  trans-89.863.6180-32.60000111S686 Q687S686-T690 PolarHBondContact OG-O 3.06Å; Q687-T690 PolarHBondContact O-N 2.75Å; Q687-T690 VanDerWaalsContact O-N 3.14Å
691Y62.5Low78.9Confident82 Ų8269 Ų6932%0.32239%0.39SS..  trans-84.9148.7173.7-59.9-84.7000110.9E658 K688 S689 R698E658-Y691 VanDerWaalsContact OE2-CE1 3.29Å; E658-Y691 WeakPolarHBondContact OE2-CE1 3.39Å; E658-Y691 PolarHBondContact OE2-OH 2.95Å; K688-Y691 WeakPolarHBondContact CG-OH 3.4Å; S689-Y691 VanDerWaalsContact C-N 3.3Å; S689-Y691 PolarHBondContact O-N 3.31Å; S689-Y691 VanDerWaalsContact O-N 3.13Å; Y691-R698 HydrophobicContact CD1-CG 4.33Å; Y691-R698 HydrophobicContact CE1-CG 4.19Å
692L62.3Low79Confident83 Ų8368.7 Ų68.744%0.43539%0.388SS..  trans-72.7130.1163.7-69.992.9000108.6G694 S695L692-G694 PolarHBondContact O-N 3.15Å; L692-S695 WeakPolarHBondContact O-CB 3.42Å; L692-S695 PolarHBondContact O-N 3.43Å; L692-S695 PolarHBondContact O-OG 2.7Å
693S56.2Low79Confident113 Ų11368.7 Ų68.779%0.7938%0.379SS*.THydrogen-bonded Turntrans-43.2116-166.1-55.60000114.2
694G60.2Low78.9Confident96 Ų9669 Ų6999%0.9938%0.384SS*.THydrogen-bonded Turntrans831.9177.700000116.1L692L692-G694 PolarHBondContact O-N 3.15Å
695S67Low78.9Confident41 Ų4165 Ų6529%0.28737%0.37SS..  trans-119.7145.4-17582.40000112.7L692 Y697L692-S695 WeakPolarHBondContact O-CB 3.42Å; L692-S695 PolarHBondContact O-N 3.43Å; L692-S695 PolarHBondContact O-OG 2.7Å; S695-Y697 PolarHBondContact O-N 3.2Å; S695-Y697 VanDerWaalsContact O-N 3.12Å
696Q77.3Confident78.9Confident147 Ų14769.2 Ų69.269%0.68739%0.389SS*.SBendtrans-80.421.6177.2-65.1-171.9-2.100113.5E658E658-Q696 PolarHBondContact N-O 2.91Å
697Y83.7Confident79.1Confident99 Ų9973.7 Ų73.739%0.38842%0.415SS..EExtended strand (participates in β ladder)trans-95.9136-178.6-66.3-103.9000110.4V656 P657 S695V656-Y697 WeakPolarHBondContact O-CA 3.38Å; P657-Y697 HydrophobicContact CB-CD1 4.16Å; P657-Y697 HydrophobicContact CB-CE1 4.01Å; P657-Y697 HydrophobicContact CG-CE1 4.17Å; S695-Y697 PolarHBondContact O-N 3.2Å; S695-Y697 VanDerWaalsContact O-N 3.12Å
698R87.2Confident79.6Confident22 Ų2269.4 Ų69.48%0.08340%0.397CS..EExtended strand (participates in β ladder)trans-108.6162.2166.1-57.5-156-149.7154.210.4110.4V656 E658 I661 S686 Y691V656-R698 PolarHBondContact N-O 3.35Å; V656-R698 PolarHBondContact O-N 3.04Å; E658-R698 IonicContact OE1-CZ 3.24Å; E658-R698 IonicContact OE1-NE 2.69Å; E658-R698 IonicContact OE1-NH2 3.7Å; E658-R698 PolarHBondContact OE1-NH2 3.39Å; I661-R698 HydrophobicContact CD1-CB 3.47Å; I661-R698 VanDerWaalsContact CD1-CB 3.47Å; I661-R698 HydrophobicContact CD1-CG 3.5Å; I661-R698 VanDerWaalsContact CD1-CG 3.5Å; S686-R698 WeakPolarHBondContact O-CD 3.26Å; S686-R698 PolarHBondContact O-NH1 3.34Å; S686-R698 WeakPolarHBondContact OG-CB 3.29Å; Y691-R698 HydrophobicContact CD1-CG 4.33Å; Y691-R698 HydrophobicContact CE1-CG 4.19Å
699T88.1Confident80.7Confident36 Ų3662.9 Ų62.922%0.22137%0.369CS..EExtended strand (participates in β ladder)trans-94.1122.6-177.7-51.10000110.1V653 S686V653-T699 HydrophobicContact CG1-CG2 3.3Å; S686-T699 PolarHBondContact N-O 2.93Å; S686-T699 PolarHBondContact OG-N 3.41Å
700V92.2Very high82Confident0 Ų062.2 Ų62.20%036%0.357CS..EExtended strand (participates in β ladder)trans-100.1122167.6-175.70000108.2V653 I654 V656 I683 I685 I702 I716V653-V700 CarbonylContact C-O 3.46Å; V653-V700 WeakPolarHBondContact CA-O 3.47Å; I654-V700 PolarHBondContact N-O 2.88Å; I654-V700 PolarHBondContact O-N 3.01Å; V656-V700 HydrophobicContact CB-CG2 4.06Å; V656-V700 HydrophobicContact CG2-CB 4.42Å; V656-V700 HydrophobicContact CG2-CG2 3.69Å; I683-V700 HydrophobicContact CG2-CG1 3.78Å; I685-V700 HydrophobicContact CD1-CG2 4.34Å; I685-V700 HydrophobicContact CG1-CG1 4.31Å; I685-V700 HydrophobicContact CG1-CG2 4.12Å; I685-V700 HydrophobicContact CG2-CG2 4.33Å; V700-I702 HydrophobicContact CG1-CG1 4.27Å; V700-I716 HydrophobicContact CG1-CD1 4.27Å
701T93.4Very high83.5Confident11 Ų1161.2 Ų61.27%0.06735%0.353CS..EExtended strand (participates in β ladder)trans-105.4127.6174-71.80000108.7R651 Q684 I703R651-T701 HydrophobicContact CG-CG2 3.95Å; R651-T701 VanDerWaalsContact NE-CG2 3.26Å; R651-T701 PolarHBondContact NH2-OG1 2.99Å; R651-T701 VanDerWaalsContact NH2-OG1 3.09Å; Q684-T701 PolarHBondContact N-O 3.17Å; Q684-T701 PolarHBondContact O-N 3.22Å; T701-I703 HydrophobicContact CG2-CD1 3.9Å; T701-I703 HydrophobicContact CG2-CG1 3.83Å
702I94.2Very high85Confident0 Ų057.4 Ų57.40%034%0.338CS..EExtended strand (participates in β ladder)trans-116.5127.4178.5-53.3176.8000107.7R651 R652 I654 T681 I683 V700 V709 A712 A713 I716R651-I702 CarbonylContact C-O 3.5Å; R651-I702 VanDerWaalsContact CA-O 3.32Å; R651-I702 WeakPolarHBondContact CA-O 3.37Å; R652-I702 PolarHBondContact N-O 3.25Å; R652-I702 PolarHBondContact O-N 3.49Å; I654-I702 HydrophobicContact CD1-CD1 3.66Å; T681-I702 HydrophobicContact CG2-CG2 4.19Å; I683-I702 HydrophobicContact CG1-CG2 4.38Å; V700-I702 HydrophobicContact CG1-CG1 4.27Å; I702-V709 HydrophobicContact CB-CG1 4.36Å; I702-V709 HydrophobicContact CG2-CB 4.32Å; I702-V709 HydrophobicContact CG2-CG1 4.05Å; I702-V709 HydrophobicContact CG2-CG2 4.2Å; I702-A712 HydrophobicContact CD1-CB 4.17Å; I702-A712 HydrophobicContact CG2-CB 3.81Å; I702-A713 HydrophobicContact CD1-CB 3.98Å; I702-I716 HydrophobicContact CD1-CD1 3.97Å
703I93.7Very high86.5Confident60 Ų6053.4 Ų53.431%0.30832%0.317SS..EExtended strand (participates in β ladder)trans-128.3133.5-177.2-58170000110.2A649 Y650 R651 T681 A682 T701A649-I703 HydrophobicContact CB-CG2 4.19Å; Y650-I703 WeakPolarHBondContact O-CA 3.37Å; R651-I703 HydrophobicContact CB-CG1 4.36Å; R651-I703 HydrophobicContact CG-CG1 4.05Å; T681-I703 CarbonylContact C-O 3.42Å; T681-I703 WeakPolarHBondContact CA-O 3.43Å; T681-I703 WeakPolarHBondContact CB-O 3.39Å; A682-I703 HydrophobicContact CB-CB 4.43Å; A682-I703 PolarHBondContact N-O 2.85Å; A682-I703 PolarHBondContact O-N 3.48Å; T701-I703 HydrophobicContact CG2-CD1 3.9Å; T701-I703 HydrophobicContact CG2-CG1 3.83Å
704G91.1Very high88.3Confident13 Ų1351.9 Ų51.913%0.13430%0.3CS..EExtended strand (participates in β ladder)trans162-162178.600000113.9Y650 V709Y650-G704 PolarHBondContact N-O 3.17Å; Y650-G704 PolarHBondContact O-N 3.26Å; Y650-G704 VanDerWaalsContact O-N 3.09Å; G704-V709 VanDerWaalsContact C-CG2 3.49Å; G704-V709 WeakPolarHBondContact O-CG2 3.41Å
705P89.9Confident89.8Confident53 Ų5350 Ų5034%0.34427%0.27SS..  trans-62.7147.1172.5-17.729.7000111.8V707 N708 V709P705-V707 PolarHBondContact O-N 2.92Å; P705-N708 HydrophobicContact CB-CB 4.17Å; P705-N708 HydrophobicContact CG-CB 4.28Å; P705-N708 WeakPolarHBondContact O-CB 3.5Å; P705-N708 PolarHBondContact O-N 3.43Å; P705-N708 VanDerWaalsContact O-N 3.15Å; P705-V709 WeakPolarHBondContact O-CB 3.25Å; P705-V709 VanDerWaalsContact O-CG2 3.3Å; P705-V709 WeakPolarHBondContact O-CG2 3.19Å; P705-V709 PolarHBondContact O-N 2.82Å
706Q90.6Very high91.1Very high117 Ų11748.1 Ų48.155%0.54726%0.256SS..Hα-helixtrans-53.7-48.1-172.2-169.6179.2-21.900114.1Y650 V709 Q710Y650-Q706 HydrophobicContact CD1-CB 4.14Å; Y650-Q706 HydrophobicContact CD1-CG 3.9Å; Y650-Q706 HydrophobicContact CD2-CB 3.61Å; Y650-Q706 HydrophobicContact CD2-CG 4.3Å; Y650-Q706 HydrophobicContact CE1-CB 4.23Å; Y650-Q706 HydrophobicContact CE1-CG 3.95Å; Y650-Q706 HydrophobicContact CE2-CB 3.75Å; Y650-Q706 HydrophobicContact CE2-CG 4.38Å; Y650-Q706 HydrophobicContact CG-CB 3.84Å; Y650-Q706 HydrophobicContact CG-CG 4.09Å; Y650-Q706 VanDerWaalsContact CZ-OE1 3.27Å; Y650-Q706 PolarHBondContact OH-OE1 3.47Å; Q706-V709 PolarHBondContact O-N 2.9Å; Q706-Q710 PolarHBondContact O-N 3.24Å
707V90.1Very high91.8Very high117 Ų11744.6 Ų44.671%0.70924%0.24SC*.Hα-helixtrans-62.4-45.6-179.1-178.60000110.7P705 Q710 S711P705-V707 PolarHBondContact O-N 2.92Å; V707-Q710 PolarHBondContact O-N 2.67Å; V707-S711 PolarHBondContact O-N 3.27Å
708N92.9Very high92.2Very high58 Ų5845.8 Ų45.831%0.3125%0.248SC..Hα-helixtrans-64.6-43.3179.9-61.157.9000111.8T679 T681 P705 Q710 S711 A712T679-N708 VanDerWaalsContact O-CB 3.27Å; T679-N708 WeakPolarHBondContact O-CB 3.47Å; T679-N708 PolarHBondContact O-ND2 2.81Å; T681-N708 VanDerWaalsContact CG2-C 3.45Å; T681-N708 HydrophobicContact CG2-CB 3.69Å; T681-N708 WeakPolarHBondContact CG2-O 3.28Å; P705-N708 HydrophobicContact CB-CB 4.17Å; P705-N708 HydrophobicContact CG-CB 4.28Å; P705-N708 WeakPolarHBondContact O-CB 3.5Å; P705-N708 PolarHBondContact O-N 3.43Å; P705-N708 VanDerWaalsContact O-N 3.15Å; N708-Q710 VanDerWaalsContact C-N 3.34Å; N708-S711 PolarHBondContact O-N 3.34Å; N708-A712 WeakPolarHBondContact O-CB 3.42Å; N708-A712 PolarHBondContact O-N 2.73Å
709V93.9Very high92.4Very high6 Ų646.7 Ų46.74%0.03626%0.255CS..Hα-helixtrans-64.7-37.7176.8170.50000111.5R652 T681 I702 G704 P705 Q706 A713R652-V709 HydrophobicContact CB-CG1 3.52Å; T681-V709 HydrophobicContact CG2-CG2 4.09Å; I702-V709 HydrophobicContact CB-CG1 4.36Å; I702-V709 HydrophobicContact CG2-CB 4.32Å; I702-V709 HydrophobicContact CG2-CG1 4.05Å; I702-V709 HydrophobicContact CG2-CG2 4.2Å; G704-V709 VanDerWaalsContact C-CG2 3.49Å; G704-V709 WeakPolarHBondContact O-CG2 3.41Å; P705-V709 WeakPolarHBondContact O-CB 3.25Å; P705-V709 VanDerWaalsContact O-CG2 3.3Å; P705-V709 WeakPolarHBondContact O-CG2 3.19Å; P705-V709 PolarHBondContact O-N 2.82Å; Q706-V709 PolarHBondContact O-N 2.9Å; V709-A713 WeakPolarHBondContact O-CB 3.21Å; V709-A713 PolarHBondContact O-N 3.25Å; V709-A713 VanDerWaalsContact O-N 3.07Å
710Q93.4Very high92.5Very high73 Ų7346.2 Ų46.234%0.34125%0.251SS..Hα-helixtrans-68-48.7174.7-168.955.946.100111R652 Q706 V707 N708 A712 A713 D714R652-Q710 VanDerWaalsContact NH1-NE2 3.15Å; Q706-Q710 PolarHBondContact O-N 3.24Å; V707-Q710 PolarHBondContact O-N 2.67Å; N708-Q710 VanDerWaalsContact C-N 3.34Å; Q710-A712 VanDerWaalsContact C-N 3.33Å; Q710-A712 PolarHBondContact O-N 3.04Å; Q710-A713 WeakPolarHBondContact O-CA 3.44Å; Q710-A713 WeakPolarHBondContact O-CB 3.35Å; Q710-A713 PolarHBondContact O-N 3.36Å; Q710-D714 PolarHBondContact NE2-OD1 3.28Å; Q710-D714 PolarHBondContact O-N 2.94Å
711S93.2Very high92.4Very high59 Ų5948.5 Ų48.541%0.41327%0.271SS..Hα-helixtrans-57.7-42.3176.9178.10000112.9V707 N708 A713 D714 V715V707-S711 PolarHBondContact O-N 3.27Å; N708-S711 PolarHBondContact O-N 3.34Å; S711-A713 VanDerWaalsContact C-N 3.34Å; S711-A713 PolarHBondContact O-N 3.12Å; S711-D714 PolarHBondContact O-N 3.11Å; S711-V715 WeakPolarHBondContact O-CG2 3.45Å; S711-V715 PolarHBondContact O-N 3.38Å
712A93.5Very high92.1Very high1 Ų152 Ų521%0.00829%0.288CS..Hα-helixtrans-64.4-36.5174.800000112.8T679 T681 I702 N708 Q710 I716T679-A712 HydrophobicContact CG2-CB 3.77Å; T681-A712 HydrophobicContact CG2-CB 4.13Å; I702-A712 HydrophobicContact CD1-CB 4.17Å; I702-A712 HydrophobicContact CG2-CB 3.81Å; N708-A712 WeakPolarHBondContact O-CB 3.42Å; N708-A712 PolarHBondContact O-N 2.73Å; Q710-A712 VanDerWaalsContact C-N 3.33Å; Q710-A712 PolarHBondContact O-N 3.04Å; A712-I716 WeakPolarHBondContact O-CG1 3.46Å; A712-I716 PolarHBondContact O-N 3.42Å
713A94.3Very high91.7Very high0 Ų053.1 Ų53.10%029%0.293CS..Hα-helixtrans-68.4-47.6175.600000112R652 I654 I702 V709 Q710 S711 V715 I716 E717R652-A713 VanDerWaalsContact CD-CB 3.48Å; R652-A713 HydrophobicContact CG-CB 4.3Å; R652-A713 VanDerWaalsContact NE-CB 3.3Å; I654-A713 HydrophobicContact CD1-CB 3.63Å; I702-A713 HydrophobicContact CD1-CB 3.98Å; V709-A713 WeakPolarHBondContact O-CB 3.21Å; V709-A713 PolarHBondContact O-N 3.25Å; V709-A713 VanDerWaalsContact O-N 3.07Å; Q710-A713 WeakPolarHBondContact O-CA 3.44Å; Q710-A713 WeakPolarHBondContact O-CB 3.35Å; Q710-A713 PolarHBondContact O-N 3.36Å; S711-A713 VanDerWaalsContact C-N 3.34Å; S711-A713 PolarHBondContact O-N 3.12Å; A713-V715 VanDerWaalsContact C-N 3.27Å; A713-V715 PolarHBondContact O-N 3.08Å; A713-I716 PolarHBondContact O-N 2.78Å; A713-I716 VanDerWaalsContact O-N 3.08Å; A713-E717 WeakPolarHBondContact O-CB 3.29Å; A713-E717 WeakPolarHBondContact O-CG 3.47Å; A713-E717 PolarHBondContact O-N 3.27Å
714D93.7Very high91.2Very high80 Ų8054.6 Ų54.643%0.42830%0.299SS..Hα-helixtrans-57.3-42.1-179.6-61-29.7000111Q710 S711 H718Q710-D714 PolarHBondContact NE2-OD1 3.28Å; Q710-D714 PolarHBondContact O-N 2.94Å; S711-D714 PolarHBondContact O-N 3.11Å; D714-H718 WeakPolarHBondContact O-CB 3.05Å; D714-H718 PolarHBondContact O-N 3.41Å
715V93.1Very high90.8Very high58 Ų5858.5 Ų58.535%0.35232%0.315SS..Hα-helixtrans-64.8-42.6175.8172.80000112.2L675 S711 A713 H718 I719L675-V715 HydrophobicContact CD2-CG1 3.69Å; S711-V715 WeakPolarHBondContact O-CG2 3.45Å; S711-V715 PolarHBondContact O-N 3.38Å; A713-V715 VanDerWaalsContact C-N 3.27Å; A713-V715 PolarHBondContact O-N 3.08Å; V715-H718 PolarHBondContact O-N 2.78Å; V715-I719 HydrophobicContact CG1-CD1 3.87Å; V715-I719 WeakPolarHBondContact O-CD1 3.4Å; V715-I719 VanDerWaalsContact O-CG1 3.25Å; V715-I719 WeakPolarHBondContact O-CG1 3.47Å; V715-I719 PolarHBondContact O-N 3.14Å
716I93.3Very high90.3Very high0 Ų062 Ų620%032%0.324CS..Hα-helixtrans-70.5-38.3-180-74.4169.1000111.7I654 V656 I664 I683 V700 I702 A712 A713 T720I654-I716 HydrophobicContact CD1-CG2 4.37Å; V656-I716 HydrophobicContact CG2-CG2 3.94Å; I664-I716 HydrophobicContact CD1-CG2 4.03Å; I664-I716 HydrophobicContact CG2-CG1 4.43Å; I683-I716 HydrophobicContact CD1-CD1 4.32Å; I683-I716 HydrophobicContact CG2-CD1 4.23Å; V700-I716 HydrophobicContact CG1-CD1 4.27Å; I702-I716 HydrophobicContact CD1-CD1 3.97Å; A712-I716 WeakPolarHBondContact O-CG1 3.46Å; A712-I716 PolarHBondContact O-N 3.42Å; A713-I716 PolarHBondContact O-N 2.78Å; A713-I716 VanDerWaalsContact O-N 3.08Å; I716-T720 WeakPolarHBondContact O-CB 3.32Å; I716-T720 PolarHBondContact O-N 2.76Å; I716-T720 PolarHBondContact O-OG1 2.91Å
717E92.6Very high89.5Confident73 Ų7361.1 Ų61.134%0.34132%0.316SS..Hα-helixtrans-66.5-40.5174.7-71.5169.3-147.700110.3R652 I654 A713 T720 A721R652-E717 IonicContact CZ-OE1 2.7Å; R652-E717 IonicContact NE-OE1 3.96Å; R652-E717 PolarHBondContact NE-OE1 2.86Å; R652-E717 VanDerWaalsContact NH2-CD 3.32Å; R652-E717 IonicContact NH2-OE1 3.96Å; R652-E717 PolarHBondContact NH2-OE1 2.89Å; R652-E717 IonicContact NH2-OE2 3.72Å; R652-E717 PolarHBondContact NH2-OE2 2.86Å; R652-E717 VanDerWaalsContact NH2-OE2 3.15Å; I654-E717 HydrophobicContact CD1-CG 4.28Å; I654-E717 WeakPolarHBondContact CD1-OE1 3.26Å; I654-E717 HydrophobicContact CG2-CG 4.12Å; A713-E717 WeakPolarHBondContact O-CB 3.29Å; A713-E717 WeakPolarHBondContact O-CG 3.47Å; A713-E717 PolarHBondContact O-N 3.27Å; E717-T720 WeakPolarHBondContact O-CB 3.29Å; E717-T720 PolarHBondContact O-N 3.38Å; E717-A721 PolarHBondContact O-N 3.12Å
718H92.1Very high88.6Confident124 Ų12461.8 Ų61.857%0.57431%0.312SS*.Hα-helixtrans-64.7-45.6174.7-164.3117.5000113.1D714 V715 T720 A721 I722D714-H718 WeakPolarHBondContact O-CB 3.05Å; D714-H718 PolarHBondContact O-N 3.41Å; V715-H718 PolarHBondContact O-N 2.78Å; H718-T720 PolarHBondContact O-N 3.12Å; H718-A721 PolarHBondContact O-N 3.07Å; H718-I722 PolarHBondContact O-N 3.18Å
719I91Very high87.1Confident42 Ų4262.8 Ų62.822%0.21532%0.323CS..Hα-helixtrans-58.4-39.5174-70163.9000110.6V660 I663 I664 V715 E723V660-I719 HydrophobicContact CG1-CG2 3.87Å; I663-I719 HydrophobicContact CG2-CG2 4.23Å; I664-I719 HydrophobicContact CG1-CG2 4.04Å; V715-I719 HydrophobicContact CG1-CD1 3.87Å; V715-I719 WeakPolarHBondContact O-CD1 3.4Å; V715-I719 VanDerWaalsContact O-CG1 3.25Å; V715-I719 WeakPolarHBondContact O-CG1 3.47Å; V715-I719 PolarHBondContact O-N 3.14Å; I719-E723 PolarHBondContact O-N 2.91Å
720T90.2Very high85Confident25 Ų2565.6 Ų65.615%0.15335%0.353CS..Hα-helixtrans-66.9-40177.8-56.10000112P657 I716 E717 H718 H724P657-T720 HydrophobicContact CG-CG2 4.19Å; I716-T720 WeakPolarHBondContact O-CB 3.32Å; I716-T720 PolarHBondContact O-N 2.76Å; I716-T720 PolarHBondContact O-OG1 2.91Å; E717-T720 WeakPolarHBondContact O-CB 3.29Å; E717-T720 PolarHBondContact O-N 3.38Å; H718-T720 PolarHBondContact O-N 3.12Å; T720-H724 PolarHBondContact O-N 3.4Å; T720-H724 VanDerWaalsContact O-N 3.11Å
721A89.4Confident82.3Confident49 Ų4966.9 Ų66.941%0.40537%0.37SS..Hα-helixtrans-65.4-46.617700000112.8E717 H718 E723 H724 M725E717-A721 PolarHBondContact O-N 3.12Å; H718-A721 PolarHBondContact O-N 3.07Å; A721-E723 VanDerWaalsContact C-N 3.32Å; A721-E723 PolarHBondContact O-N 3.34Å; A721-H724 WeakPolarHBondContact O-CB 3.44Å; A721-H724 PolarHBondContact O-N 3.36Å; A721-H724 VanDerWaalsContact O-N 3.08Å; A721-M725 PolarHBondContact O-N 2.7Å; A721-M725 VanDerWaalsContact O-N 3.12Å
722I88.2Confident79.5Confident83 Ų8374.1 Ų74.143%0.42639%0.39SS..Hα-helixtrans-55.8-47.7176.4-70.9178.1000110.9H718 H724 M725 K726H718-I722 PolarHBondContact O-N 3.18Å; I722-H724 VanDerWaalsContact C-N 3.26Å; I722-H724 PolarHBondContact O-N 3.19Å; I722-M725 HydrophobicContact CG1-CE 4.36Å; I722-M725 PolarHBondContact O-N 3.25Å; I722-K726 VanDerWaalsContact O-CB 3.29Å; I722-K726 WeakPolarHBondContact O-CB 3.41Å; I722-K726 PolarHBondContact O-N 2.94Å
723E85.1Confident76.6Confident24 Ų2482.3 Ų82.311%0.11243%0.428CS..Hα-helixtrans-72.3-15-179.8-84.3-72.2139.100114.1V660 I663 I719 A721 K726 R727V660-E723 HydrophobicContact CG2-CB 3.66Å; V660-E723 HydrophobicContact CG2-CG 4.34Å; I663-E723 HydrophobicContact CD1-CG 3.55Å; I663-E723 WeakPolarHBondContact CD1-OE1 3.19Å; I719-E723 PolarHBondContact O-N 2.91Å; A721-E723 VanDerWaalsContact C-N 3.32Å; A721-E723 PolarHBondContact O-N 3.34Å; E723-K726 WeakPolarHBondContact OE1-CD 3.47Å; E723-K726 WeakPolarHBondContact OE1-CE 3.49Å; E723-K726 IonicContact OE1-NZ 3.92Å; E723-K726 PolarHBondContact OE1-NZ 3.12Å; E723-R727 WeakPolarHBondContact O-CG 3.45Å; E723-R727 PolarHBondContact O-NE 3.4Å; E723-R727 PolarHBondContact O-NH1 3.45Å; E723-R727 VanDerWaalsContact O-NH1 3.12Å; E723-R727 IonicContact OE2-CZ 3.21Å; E723-R727 IonicContact OE2-NE 3.61Å; E723-R727 IonicContact OE2-NH2 2.78Å; E723-R727 PolarHBondContact OE2-NH2 3.12Å
724H83.6Confident73.4Confident91 Ų9191.1 Ų91.142%0.42147%0.469SS..Hα-helixtrans-76.3-54.2168.7-148.7-82.6000110.6T720 A721 I722 K726 R727 E728T720-H724 PolarHBondContact O-N 3.4Å; T720-H724 VanDerWaalsContact O-N 3.11Å; A721-H724 WeakPolarHBondContact O-CB 3.44Å; A721-H724 PolarHBondContact O-N 3.36Å; A721-H724 VanDerWaalsContact O-N 3.08Å; I722-H724 VanDerWaalsContact C-N 3.26Å; I722-H724 PolarHBondContact O-N 3.19Å; H724-K726 PolarHBondContact O-N 2.94Å; H724-R727 PolarHBondContact O-N 2.72Å; H724-E728 IonicContact CE1-OE1 3.34Å; H724-E728 PolarHBondContact CE1-OE1 2.83Å; H724-E728 IonicContact CG-OE1 3.39Å; H724-E728 IonicContact ND1-OE1 3.61Å; H724-E728 PolarHBondContact ND1-OE1 3.07Å; H724-E728 PolarHBondContact O-N 3.44Å
725M82.1Confident70.5Confident96 Ų9695.5 Ų95.547%0.47349%0.487SS..Hα-helixtrans-55.7-37.5178.1-65.3-174.4-7000112.4A721 I722 R727 E728 S729A721-M725 PolarHBondContact O-N 2.7Å; A721-M725 VanDerWaalsContact O-N 3.12Å; I722-M725 HydrophobicContact CG1-CE 4.36Å; I722-M725 PolarHBondContact O-N 3.25Å; M725-R727 VanDerWaalsContact C-N 3.27Å; M725-R727 PolarHBondContact O-N 3.21Å; M725-E728 PolarHBondContact O-N 3.13Å; M725-S729 PolarHBondContact O-N 2.56Å; M725-S729 VanDerWaalsContact O-N 3.12Å; M725-S729 PolarHBondContact O-OG 2.82Å
726K79.9Confident67.6Low126 Ų12697.4 Ų97.455%0.54850%0.503SS..Hα-helixtrans-67.1-19.5177.4-177.7174.1162.4-164.90114.5I722 E723 H724 S729I722-K726 VanDerWaalsContact O-CB 3.29Å; I722-K726 WeakPolarHBondContact O-CB 3.41Å; I722-K726 PolarHBondContact O-N 2.94Å; E723-K726 WeakPolarHBondContact OE1-CD 3.47Å; E723-K726 WeakPolarHBondContact OE1-CE 3.49Å; E723-K726 IonicContact OE1-NZ 3.92Å; E723-K726 PolarHBondContact OE1-NZ 3.12Å; H724-K726 PolarHBondContact O-N 2.94Å; K726-S729 WeakPolarHBondContact CA-OG 3.49Å
727R74.1Confident64.9Low99 Ų99104.7 Ų104.737%0.37454%0.541SS..Hα-helixtrans-90.6-37.9175.2-68.3175.1-161.2121.59.4111.8S659 E723 H724 M725 S729 G730S659-R727 PolarHBondContact O-NH2 3.27Å; S659-R727 VanDerWaalsContact OG-CZ 3.28Å; S659-R727 PolarHBondContact OG-NH1 3.33Å; S659-R727 VanDerWaalsContact OG-NH1 3.12Å; S659-R727 PolarHBondContact OG-NH2 3.19Å; E723-R727 WeakPolarHBondContact O-CG 3.45Å; E723-R727 PolarHBondContact O-NE 3.4Å; E723-R727 PolarHBondContact O-NH1 3.45Å; E723-R727 VanDerWaalsContact O-NH1 3.12Å; E723-R727 IonicContact OE2-CZ 3.21Å; E723-R727 IonicContact OE2-NE 3.61Å; E723-R727 IonicContact OE2-NH2 2.78Å; E723-R727 PolarHBondContact OE2-NH2 3.12Å; H724-R727 PolarHBondContact O-N 2.72Å; M725-R727 VanDerWaalsContact C-N 3.27Å; M725-R727 PolarHBondContact O-N 3.21Å; R727-S729 VanDerWaalsContact C-N 3.3Å; R727-S729 PolarHBondContact O-N 3.22Å; R727-G730 PolarHBondContact O-N 2.97Å
728E71.8Confident62Low131 Ų131107.5 Ų107.561%0.61256%0.563SS**Hα-helixtrans-62-37.5174.2-68.3167.4-165.500112.2H724 M725 G730H724-E728 IonicContact CE1-OE1 3.34Å; H724-E728 PolarHBondContact CE1-OE1 2.83Å; H724-E728 IonicContact CG-OE1 3.39Å; H724-E728 IonicContact ND1-OE1 3.61Å; H724-E728 PolarHBondContact ND1-OE1 3.07Å; H724-E728 PolarHBondContact O-N 3.44Å; M725-E728 PolarHBondContact O-N 3.13Å; E728-G730 VanDerWaalsContact C-N 3.29Å; E728-G730 PolarHBondContact O-N 2.99Å
729S61.2Low59.3Low78 Ų78108.1 Ų108.155%0.54557%0.57SS.*THydrogen-bonded Turntrans-800.2177.748.70000114.9M725 K726 R727 S731M725-S729 PolarHBondContact O-N 2.56Å; M725-S729 VanDerWaalsContact O-N 3.12Å; M725-S729 PolarHBondContact O-OG 2.82Å; K726-S729 WeakPolarHBondContact CA-OG 3.49Å; R727-S729 VanDerWaalsContact C-N 3.3Å; R727-S729 PolarHBondContact O-N 3.22Å; S729-S731 PolarHBondContact O-N 3.21Å
730G50.1Low56.7Low65 Ų65111.1 Ų111.167%0.6759%0.594SS**THydrogen-bonded Turntrans-71.410-169.200000117.6R727 E728R727-G730 PolarHBondContact O-N 2.97Å; E728-G730 VanDerWaalsContact C-N 3.29Å; E728-G730 PolarHBondContact O-N 2.99Å
731S37.1Very low54.4Low100 Ų100117.8 Ų117.870%0.69963%0.628SS**THydrogen-bonded Turntrans-103-7.2-176.159.50000115.1S729S729-S731 PolarHBondContact O-N 3.21Å
732Y34Very low51.7Low212 Ų212121.5 Ų121.583%0.83165%0.648SS**SBendtrans-128164.6-178.9-91.2-91.6000114.2
733Q31.3Very low49.3Very low173 Ų173121.2 Ų121.281%0.80867%0.666SS**  trans-61.1156.5-167.8-78.9-80.9-21.700115H735Q733-H735 PolarHBondContact O-N 3.16Å; Q733-H735 VanDerWaalsContact O-N 3.07Å
734Q27.3Very low46.9Very low184 Ų184128.4 Ų128.486%0.8671%0.705SS**  trans-61.4104.6-175.9-64.8178.3-13.200113.1
735H33.8Very low44.4Very low173 Ų173126.8 Ų126.880%0.80171%0.713SS**  trans-135.8137.1160.1-101.6-99.5000110.7Q733 L737Q733-H735 PolarHBondContact O-N 3.16Å; Q733-H735 VanDerWaalsContact O-N 3.07Å; H735-L737 PolarHBondContact O-N 3.08Å
736S31Very low42.3Very low98 Ų98127.3 Ų127.369%0.68573%0.727SS**  trans-75.5109177.452.70000110.3
737L37.1Very low40.3Very low153 Ų153128.9 Ų128.980%0.80174%0.741SS**  trans-102.798.1173.6-73.4173.3000110.5H735 L739H735-L737 PolarHBondContact O-N 3.08Å; L737-L739 PolarHBondContact O-N 3.21Å
738T32.7Very low38.6Very low132 Ų132128.6 Ų128.681%0.8175%0.754SS**  trans-64.3119.9159.9-42.30000107.8
739L34.8Very low36.7Very low136 Ų136129.7 Ų129.771%0.71276%0.764SS**  trans-102.7102.4-176.4-154.477.7000111.4L737L737-L739 PolarHBondContact O-N 3.21Å
740S36.9Very low35.5Very low105 Ų105131.9 Ų131.973%0.73477%0.774SS**PPolyproline II helixtrans-68.3143.6174.3-49.80000111.7
741L41.4Very low34.6Very low165 Ų165134.4 Ų134.486%0.86478%0.777SS**PPolyproline II helixtrans-69.7146.3168.1-86.871.9000110.8G743L741-G743 PolarHBondContact O-N 3.49Å
742P32.8Very low34.4Very low127 Ų127135.9 Ų135.983%0.82578%0.781SS**PPolyproline II helixtrans-77.6116.2-17830.3-33.9000112
743G37.2Very low34.3Very low78 Ų78134.3 Ų134.380%0.80478%0.781SS**PPolyproline II helixtrans-78.3123.8168.600000111.4L741L741-G743 PolarHBondContact O-N 3.49Å
744N34.7Very low34.4Very low174 Ų174129.8 Ų129.893%0.9378%0.781SS**PPolyproline II helixtrans-73.9144.8175.5-163.912.1000110.8
745G32.1Very low34.6Very low57 Ų57126.3 Ų126.359%0.58878%0.777SS**  trans-117171-163.700000116.1
746S38.3Very low34.4Very low108 Ų108124.4 Ų124.476%0.75578%0.782SS**  trans-170.4121.9157.7-82.40000111.7
747N36.5Very low34.3Very low158 Ų158125.4 Ų125.485%0.84579%0.789SS**  trans59.8143.4148.8-56.1-14.7000119.6
748S38.4Very low34.2Very low93 Ų93125 Ų12565%0.6579%0.792SS**  cis-167.3144.1-3.644.60000112.2
749N32.8Very low34.2Very low154 Ų154124.3 Ų124.382%0.82479%0.792SS**  trans64.2152.3162.1-48.7-22.6000116.1
750T35.1Very low33.9Very low124 Ų124121.5 Ų121.576%0.76180%0.797SS**  cis-151.7131.320.3-44.50000112
751V30.9Very low33.7Very low119 Ų119120.6 Ų120.672%0.72180%0.803SS**  trans36.1120.8149.5-1740000121
752V34.2Very low33.1Very low130 Ų130121.7 Ų121.779%0.78880%0.804SS**  -169.3126.8108.4156.10000110.6
753H30.4Very low33.2Very low179 Ų179122.9 Ų122.983%0.82980%0.803SS**  trans8132.2161.8-68.5-104.3000122.6
754G35Very low32.9Very low78 Ų78126 Ų12680%0.80480%0.801SS**  trans177.455.4168.300000114.8
755S31Very low32.7Very low112 Ų112122.2 Ų122.278%0.78379%0.788SS**  trans-73.3134.9-165.7-45.80000115.9
756C29.5Very low32.6Very low133 Ų133126.2 Ų126.290%0.89980%0.796SS**  trans-167.4120.5144.8-119.70000111.2
757S28.6Very low32.3Very low119 Ų119132.4 Ų132.483%0.83281%0.805SS**  trans-135.5130.9-175.4-54.10000111.6
758V35Very low31.9Very low145 Ų145132.6 Ų132.688%0.87980%0.798SS**  trans-138.3128.8162.4-170.80000109.9
759S33.3Very low31.7Very low116 Ų116135 Ų13581%0.81180%0.803SS**  trans-53.9167.2168.134.40000113.3
760G29Very low31.5Very low78 Ų78134.7 Ų134.780%0.80480%0.796SS**  cis135.5119.28.200000108.6
761G32Very low31.4Very low85 Ų85134.8 Ų134.888%0.87680%0.802SS**  trans-160.394.8-169.600000111.8
762Q28.8Very low31.2Very low188 Ų188132.5 Ų132.588%0.87980%0.803SS**  trans-105.1119.3-175169-170.6-7.500109.7
763L34Very low31.1Very low153 Ų153132.4 Ų132.480%0.80180%0.796SS**  trans-148.5124.8155.4-83.4-171.2000112.5
764N32.1Very low30.9Very low143 Ų143129.5 Ų129.577%0.76580%0.796SS**  trans57.2111144.9-58.63.6000120.3
765S28.8Very low30.6Very low95 Ų95135 Ų13566%0.66479%0.794SS**  trans-53.3157.4142.753.60000112.4
766D30.4Very low30.5Very low141 Ų141135 Ų13575%0.75479%0.791SS**  173.2107.5111.3-84.1-8000110.3
767Y32.2Very low30.5Very low237 Ų237138.7 Ų138.793%0.92979%0.792SS**  trans-165.987.2138.6-122.5-88.4000111.4
768F29.1Very low30.5Very low163 Ų163138.1 Ų138.172%0.71578%0.784SS**  trans-34.3151.8143.8-101.6-158.1000111.3
769I33.1Very low30.3Very low144 Ų144136.8 Ų136.874%0.73878%0.781SS**  cis-170.916641.6-126.1154.2000107
770Q28.4Very low30.1Very low146 Ų146136.2 Ų136.268%0.68278%0.777SS**  cis-176.999.9-36176.4-179.3-44.700108.2
771S33Very low30.2Very low127 Ų127138.4 Ų138.489%0.88878%0.775SS**  trans-148113.3166.159.60000110.3
772G27.4Very low30.1Very low71 Ų71139.5 Ų139.573%0.73277%0.769SS**  cis123.525.2000000114.8
773I32.1Very low30Very low127 Ų127136.9 Ų136.965%0.65177%0.77SS**  trans-132.4119.6164.2-40.1177000109Y775I773-Y775 HydrophobicContact CB-CE2 4.15Å; I773-Y775 HydrophobicContact CG2-CD2 3.99Å; I773-Y775 HydrophobicContact CG2-CE1 4.25Å; I773-Y775 HydrophobicContact CG2-CE2 3.33Å; I773-Y775 VanDerWaalsContact CG2-CZ 3.49Å
774S26.1Very low30.1Very low118 Ų118137.8 Ų137.883%0.82577%0.774SS**  trans-91.9127.9175-56.20000110
775Y29.6Very low30Very low195 Ų195140.8 Ų140.877%0.76578%0.78SS**  trans-130.7127.1168.2-68.7-64000110.3I773I773-Y775 HydrophobicContact CB-CE2 4.15Å; I773-Y775 HydrophobicContact CG2-CD2 3.99Å; I773-Y775 HydrophobicContact CG2-CE1 4.25Å; I773-Y775 HydrophobicContact CG2-CE2 3.33Å; I773-Y775 VanDerWaalsContact CG2-CZ 3.49Å
776P28.8Very low30.2Very low111 Ų111139.3 Ų139.372%0.72178%0.78SS**  trans-78.6136.4175.232.1-32.9000110.4T778P776-T778 PolarHBondContact O-N 2.73Å
777F28.8Very low30.3Very low211 Ų211139 Ų13993%0.92578%0.779SS**  trans-78.7103.3174.1-136.8-85.1000109.8S779F777-S779 PolarHBondContact O-N 2.78Å
778T28.3Very low30.2Very low106 Ų106137.6 Ų137.665%0.6577%0.773SS**  trans-79.399.4-177.951.50000111.6P776 S780P776-T778 PolarHBondContact O-N 2.73Å; T778-S780 PolarHBondContact O-N 2.96Å; T778-S780 VanDerWaalsContact O-N 3.12Å
779S30.8Very low30.4Very low118 Ų118134.7 Ų134.783%0.82577%0.771SS**  trans-7883.8168.6420000111.2F777 T781F777-S779 PolarHBondContact O-N 2.78Å; S779-T781 PolarHBondContact O-N 2.66Å; S779-T781 VanDerWaalsContact O-N 3.07Å
780S29.7Very low30.3Very low103 Ų103136 Ų13672%0.7277%0.773SS**  trans-82.277.2-172.3-610000114.8T778T778-S780 PolarHBondContact O-N 2.96Å; T778-S780 VanDerWaalsContact O-N 3.12Å
781T31.2Very low30.4Very low125 Ų125135.2 Ų135.277%0.76778%0.783SS**SBendtrans-144.194156.6-27.40000112.8S779S779-T781 PolarHBondContact O-N 2.66Å; S779-T781 VanDerWaalsContact O-N 3.07Å
782S30.4Very low30.1Very low108 Ų108137.8 Ų137.876%0.75578%0.781SS**  trans34.599.6160.861.10000119.5
783C26Very low30.2Very low133 Ų133139.3 Ų139.390%0.89978%0.78SS**  trans-87.8122.7159.5-56.90000110.8
784I35.1Very low30.1Very low172 Ų172139.1 Ų139.188%0.88279%0.785SS**  trans-109.2151.6160.9-62.7-179.1000108
785K30.6Very low30.1Very low205 Ų205139.4 Ų139.489%0.89179%0.786SS**  trans-122.8122.6-140.3-175.1180-179.1179.90115.3
786G32.8Very low30.2Very low65 Ų65135.7 Ų135.767%0.6779%0.785SS**  trans92.7164.2162.600000116
787N32.9Very low30.4Very low135 Ų135134.9 Ų134.972%0.72279%0.788SS**  cis-165.4147.9-11.8-137.49.6000112.1
788Y30.7Very low30.7Very low206 Ų206130.8 Ų130.881%0.80879%0.786SS**  trans67.8160.3161.2-73.3-55.3000119.7
789P33.6Very low30.9Very low103 Ų103133 Ų13367%0.66979%0.794SS**  trans-140-170.9-134.145.7-26.2000117
790E30.5Very low31.2Very low170 Ų170133.7 Ų133.779%0.79479%0.793SS**  trans67113.4142.6-161.6173.9169.800120.7
791C29.9Very low31.4Very low130 Ų130131.9 Ų131.988%0.87879%0.791SS**  -167.9170128.3-117.30000112.3
792Q27.1Very low31.5Very low182 Ų182133.3 Ų133.385%0.8579%0.792SS**  trans-111-172.4-167.2-58.6178.1-8.200114
793S30.5Very low31.6Very low103 Ų103132.8 Ų132.872%0.7279%0.789SS**  trans93.787.5158.1-170.70000120.5
794T28.6Very low31.9Very low122 Ų122132.1 Ų132.175%0.74878%0.784SS**  19.8128.6125.546.30000121.5
795C27.1Very low32.1Very low125 Ų125129.4 Ų129.485%0.84578%0.777SS**  170.3166.2120.1-92.90000112.7
796P31.6Very low32.3Very low116 Ų116127.9 Ų127.975%0.75378%0.777SS**  trans-120.4160-149.342-33000119
797A33.1Very low32.3Very low94 Ų94128.9 Ų128.978%0.77777%0.774SS**  trans50.9128.414200000122.9
798S34.7Very low32.3Very low126 Ų126131.8 Ų131.888%0.88179%0.786SS**  -171.6165.6125.941.30000113.3
799N32.7Very low32.6Very low152 Ų152129 Ų12981%0.81378%0.783SS**  trans-76.4146.7-168.1-58.5-62.3000115
800T37.1Very low32.6Very low133 Ų133127.8 Ų127.882%0.81679%0.789SS**  178.615210329.90000110.4
801G32.6Very low33Very low65 Ų65124.2 Ų124.267%0.6778%0.784SS**  trans-124.7177.2178.800000113.3
802I33.6Very low33.3Very low154 Ų154125.7 Ų125.779%0.7978%0.782SS**  trans-166.6152.3153-100.3149.9000108.5
803S33.9Very low34Very low98 Ų98121.7 Ų121.769%0.68577%0.772SS**  trans-72.6162.3-178.5540000113.1
804C31.3Very low34.2Very low119 Ų119124.9 Ų124.980%0.80478%0.78SS**  -169.3172.870.8-104.80000113.4
805P39.4Very low34.7Very low114 Ų114124 Ų12474%0.7477%0.774SS**  trans-103.8177.1-16441.2-37.5000115
806I35.1Very low35Very low174 Ų174123.2 Ų123.289%0.89277%0.766SS**  trans-157.2161.2141.6-107.5155.7000111.1
807S32.8Very low35Very low86 Ų86124.1 Ų124.160%0.60177%0.773SS**  trans-92.5157-163.255.70000116.7
808M33.2Very low34.9Very low196 Ų196126 Ų12697%0.96677%0.769SS**  trans-128.5135.9143.7-89.7-69.9-172.300109
809I37.1Very low34.8Very low146 Ų146127 Ų12775%0.74977%0.769SS**  trans-124.6135.9-176.9-69171.5000109.3
810G33.5Very low34.8Very low78 Ų78124 Ų12480%0.80476%0.757SS**  trans-136.8100.3172.500000111.5
811S37.8Very low34.6Very low96 Ų96125.6 Ų125.667%0.67176%0.759SS**  trans-66.9146.9175-630000111.3
812L36.6Very low34.5Very low161 Ų161128.9 Ų128.984%0.84376%0.761SS**  56.7149.163.2-74.9155.3000112.8
813P42.2Very low34.4Very low98 Ų98127.4 Ų127.464%0.63676%0.76SS**  cis-139.2-175.218.643.7-26.5000116.3
814L35.1Very low34.3Very low170 Ų170128 Ų12889%0.8976%0.759SS**  trans-150.260.4149.8-122.9164.8000113.6
815T37.7Very low34.2Very low103 Ų103128.2 Ų128.263%0.63276%0.757SS**  trans32.996.5139.5-45.90000120.9
816T34.1Very low33.9Very low109 Ų109129.5 Ų129.567%0.66976%0.763SS**  trans32.8140.6133.863.30000123.3
817C31.7Very low33.7Very low134 Ų134125.8 Ų125.891%0.90575%0.752SS**  -134123.2129.1-81.90000109.4
818I30.3Very low33.7Very low135 Ų135127.9 Ų127.969%0.69277%0.767SS**  trans-140.5136.3174.1-63.9175.6000107.5
819T33.5Very low33.7Very low145 Ų145122 Ų12289%0.8976%0.757SS**  trans-135.2122.4156.3-540000109.3
820T32.2Very low33.5Very low89 Ų89118.3 Ų118.355%0.54676%0.755SS.*  trans-104.3151.5179.4-57.20000109.7
821I32.5Very low33.8Very low167 Ų167122.7 Ų122.786%0.85676%0.76SS**  trans-125.7120.3154.1-57.5-177.7000108.2
822N30.5Very low33.6Very low134 Ų134125.6 Ų125.672%0.71777%0.768SS**  trans-117.1148.6177.7-88.2-13.6000109.4
823T32.7Very low33.7Very low124 Ų124126.2 Ų126.276%0.76177%0.772SS**  trans-161.8101.9149.533.90000107.9
824T31.8Very low33.3Very low111 Ų111128.9 Ų128.968%0.68178%0.779SS**  64.9108.790.358.50000113.9
825T29.2Very low33.3Very low123 Ų123128.4 Ų128.476%0.75578%0.776SS**  81.5119.351.5650000115.9
826T31.6Very low33.2Very low140 Ų140130 Ų13086%0.85979%0.786SS**  trans171160.9149.338.20000110.4
827S30.7Very low33.3Very low97 Ų97128.2 Ų128.268%0.67879%0.789SS**  176153-51.448.10000110.8
828S34.7Very low33.4Very low129 Ų129130.2 Ų130.290%0.90279%0.79SS**  trans69.5156.6173.781.30000117.4
829G32.8Very low33.4Very low74 Ų74128 Ų12876%0.76379%0.786SS**  cis160.5128.5-14.400000115.5
830G33Very low33.3Very low68 Ų68130.1 Ų130.170%0.70178%0.784SS**  trans71.2121.8153.100000120
831N38.9Very low33.2Very low170 Ų170131.6 Ų131.691%0.90979%0.792SS**  -179.7147.9113.9-90-30.8000112
832N34.4Very low32.9Very low157 Ų157129.2 Ų129.284%0.8479%0.79SS**  trans-89.4147.5177.8-60.7-40000111
833N39.1Very low33Very low173 Ų173128.1 Ų128.193%0.92579%0.793SS**  trans-156.2152.3145.4-107.9-33.1000112
834I32.9Very low32.9Very low155 Ų155127 Ų12780%0.79579%0.79SS**  trans-91.9142.8-179.1-58163.9000108.6
835I34.9Very low32.8Very low160 Ų160127.1 Ų127.182%0.82179%0.794SS**  trans176.9148.7135-91.9158.6000111
836T36Very low32.7Very low136 Ų136128.5 Ų128.583%0.83480%0.797SS**  trans-52.1143.3-176.252.30000116.2
837G35Very low32.7Very low72 Ų72125.8 Ų125.874%0.74279%0.789SS**  trans-179.4114.7161.600000115.9
838L34.4Very low32.8Very low176 Ų176126.2 Ų126.292%0.92180%0.799SS**  trans63.3123.2154.8-57.9171.1000119.8
839S30.2Very low32.7Very low88 Ų88125 Ų12562%0.61580%0.796SS**  trans-60.8160159.152.20000113.4
840F31Very low32.9Very low190 Ų190126.5 Ų126.583%0.83380%0.795SS**  -169.1118.4113.5-104.5-71.7000113.6
841V31.6Very low32.9Very low119 Ų119129.8 Ų129.872%0.72180%0.801SS**  trans39.9125.4142.9176.90000121.2
842S26.5Very low32.7Very low118 Ų118126.4 Ų126.483%0.82579%0.791SS**  trans-83.9133.515553.70000112.2
843S31.9Very low32.6Very low111 Ų111130.3 Ų130.378%0.77679%0.794SS**  trans-155.7151.4166.1-170.10000112.7
844S30.6Very low32.6Very low100 Ų100127.3 Ų127.370%0.69979%0.786SS**  trans-87.2-167.5160.9-56.50000110.7
845C28.6Very low32.7Very low113 Ų113124 Ų12476%0.76479%0.79SS**  trans77.8145.8165-46.90000115
846D28Very low32.7Very low152 Ų152120 Ų12081%0.81379%0.789SS**  cis-161-174.9-19.8-135-55.6000111.9
847A32Very low32.6Very low83 Ų83124.7 Ų124.769%0.68679%0.791SS**  trans-27.7147.4175.600000120.5
848A32.1Very low32.5Very low107 Ų107126 Ų12688%0.88479%0.789SS**  trans-95.7146.2155.100000110.5
849A33.3Very low32.6Very low102 Ų102124.2 Ų124.284%0.84379%0.785SS**  trans-138158.2-16600000114.3
850S35.6Very low32.7Very low107 Ų107123.4 Ų123.475%0.74879%0.791SS**  trans-162.3123.9154.962.20000114.3
851V34.2Very low32.8Very low137 Ų137118.9 Ų118.983%0.8379%0.788SS**  trans67.1133135.4174.40000119.1
852S34.3Very low32.8Very low98 Ų98118.8 Ų118.869%0.68579%0.793SS**  cis-172.1170.7-13.2-94.60000111.2
853R33.5Very low33Very low240 Ų240116 Ų11691%0.90678%0.783SS**  trans80.8143.6168-68.2179.1167.2170.1-4.8117.8
854S37.8Very low33.2Very low109 Ų109116.6 Ų116.676%0.76279%0.787SS**  cis-172.9132.5-26.6460000111.6
855G34.7Very low33.4Very low86 Ų86114.9 Ų114.989%0.88779%0.785SS**  trans84.4138.5176.100000113.3
856G34.7Very low33.5Very low76 Ų76116.9 Ų116.978%0.78479%0.788SS**  cis122.7124.711.600000108.5
857R33.8Very low33.7Very low234 Ų234114.4 Ų114.488%0.88378%0.779SS**  cis-143.913734.8-78.2153.773.6176.23.5108.7
858S34.6Very low33.7Very low101 Ų101118.3 Ų118.371%0.70679%0.787SS**  45.5128.785.8800000113.7
859V35.9Very low33.6Very low138 Ų138118.4 Ų118.484%0.83678%0.781SS**  cis-144143.622.2176.20000106.6
860G31.1Very low33.5Very low71 Ų71123 Ų12373%0.73278%0.783SS**  81.3144.666.800000111.6
861A33.3Very low33.3Very low94 Ų94125.9 Ų125.978%0.77778%0.784SS**  cis-157.5-176.62.700000112.4
862S31.9Very low33.1Very low118 Ų118123.3 Ų123.383%0.82577%0.772SS**  trans-15.7153.416452.40000120.2
863G32.1Very low33.3Very low60 Ų60124 Ų12462%0.61978%0.777SS**  cis135.8171.64.700000112.8
864S34.5Very low33.3Very low123 Ų123119.9 Ų119.986%0.8677%0.771SS**  trans62145.4-177.323.10000114.7
865G35.8Very low33.2Very low64 Ų64121.5 Ų121.566%0.6677%0.771SS**  cis95.512442.500000106.8
866D30.8Very low33.1Very low154 Ų154121.4 Ų121.482%0.82476%0.757SS**  172.6172.566.5-96.228.4000107.5
867T32.1Very low33.1Very low101 Ų101125.4 Ų125.462%0.6276%0.76SS**  cis-167.5174.1-30.1-67.10000105.5
868L30.8Very low33.1Very low165 Ų165119.7 Ų119.786%0.86476%0.756SS**  trans75156.7166.9-51174.6000116.1
869S32Very low33.2Very low108 Ų108123.3 Ų123.376%0.75576%0.764SS**  cis-136.8150.61.450.70000112.7
870F29.3Very low33.7Very low200 Ų200122.2 Ų122.288%0.87776%0.759SS**  trans-64.1152.9156.6-77.7-110.8000110.1
871Q31.4Very low33.9Very low167 Ų167125.3 Ų125.378%0.7876%0.764SS**  -156.2161125-161.342.946.800111.6
872S31.9Very low34.4Very low83 Ų83126.4 Ų126.458%0.5876%0.761SS**  trans-53.1162.2174.2650000113.6
873S37.1Very low34.7Very low111 Ų111129.4 Ų129.478%0.77676%0.759SS**  -160.6167.763.3-72.40000115.8
874I34Very low35.2Very low154 Ų154137.9 Ų137.979%0.7977%0.773SS**  trans-76.4136.6174.5-65.3159.2000109.8
875D35.8Very low35.9Very low143 Ų143139.3 Ų139.377%0.76577%0.77SS**  trans-163.2121.5130.7-116.5-34.9000115.2
876S32.9Very low36.2Very low84 Ų84144.4 Ų144.459%0.58778%0.777SS**  35.3130.2125.2-50.70000123.5
877L33.7Very low37Very low161 Ų161143.5 Ų143.584%0.84378%0.777SS**  trans87.3141.7140.1-68.7163000122.8
878S34.5Very low37.5Very low114 Ų114150.1 Ų150.180%0.79781%0.809SS**  trans75.1133.2153.4-67.10000121.6
879M36Very low37.9Very low176 Ų176149.4 Ų149.487%0.86781%0.806SS**  trans-80.4151.9170.8-65.5179.7169.300112.5
880P47.8Very low38.2Very low115 Ų115151.5 Ų151.575%0.74781%0.809SS**  trans-104.2112.7155.933.7-25.2000111.9
881V35.1Very low38.7Very low136 Ų136148.8 Ų148.882%0.82481%0.805SS**  trans-89.4113.3164.4173.10000108.8
882T42.3Very low39.1Very low117 Ų117147.8 Ų147.872%0.71881%0.806SS**  trans-141.997.2-179.5-41.40000114.9
883K38.1Very low39.6Very low182 Ų182151.8 Ų151.879%0.79182%0.82SS**  trans30.9124.6143.5-58.7-177.1177.9-1760120.8
884R42.3Very low39.7Very low238 Ų238154.5 Ų154.590%0.89882%0.823SS**  172.1144.7122-95179.2-156.7113-4.5108.6
885N49.4Very low40.1Very low152 Ų152154.6 Ų154.681%0.81383%0.826SS**  cis-154.3160.6-17.6-140.154.1000107.8
886E41.8Very low40.5Very low172 Ų172155.5 Ų155.580%0.80483%0.83SS**  trans-86.1167.7-176.6-67.1171.6101.700114.1
887T47.9Very low41.1Very low134 Ų134161.4 Ų161.482%0.82285%0.851SS**  trans57.689.9160.950.60000118.3
888N44.1Very low41.8Very low240 Ų240161.5 Ų161.5100%1.28385%0.851SS**  -158.1093.1-128.5-10000110.6

Retrieved 888 of 888 residues in 401.7 ms (Link to these results)