A0A3Q0KSB7_SCHMA Loading...

Zinc finger CCHC domain-containing protein 7

AlphaFold DB , UniProt , Accession A0A3Q0KSB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 539 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low47.5Very low228 Ų228175.1 Ų175.1100%1.12385%0.849SS**  0124.50-70.5-60.2-157.700106.4
2D41.5Very low48.7Very low152 Ų152167.2 Ų167.281%0.81381%0.814SS**  trans76.480.3167-44-22.7000117.6
3Y42.8Very low49.9Very low227 Ų227159.9 Ų159.989%0.8979%0.79SS**  trans-82.1116.9160.1-103.1-103.3000108.4
4E46.1Very low51Low192 Ų192158.1 Ų158.190%0.89779%0.785SS**  trans-96105.5163.6-79.8-175.1168.500109.3N6E4-N6 PolarHBondContact O-N 3.3Å
5T45.4Very low51.8Low124 Ų124159.9 Ų159.976%0.76179%0.787SS**  trans-61.2117169.717.70000110.6E7T5-E7 PolarHBondContact O-N 3.02Å; T5-E7 VanDerWaalsContact O-N 3.13Å
6N47.3Very low52.8Low160 Ų160153.8 Ų153.886%0.85676%0.758SS**  trans-65.9105.7162.6-81.1-44.8000108.7E4 E8E4-N6 PolarHBondContact O-N 3.3Å; N6-E8 PolarHBondContact O-N 3.19Å; N6-E8 VanDerWaalsContact O-N 3.09Å
7E46.8Very low54.2Low171 Ų171150.4 Ų150.480%0.79974%0.744SS**  trans-68.598.8163.9-74.6-177.8158.800108.7T5 N9T5-E7 PolarHBondContact O-N 3.02Å; T5-E7 VanDerWaalsContact O-N 3.13Å; E7-N9 PolarHBondContact O-N 3.44Å
8E51.8Low55.3Low184 Ų184150.4 Ų150.486%0.8674%0.741SS**  trans-64.4100.6161.9-76-176.3158.800107.9N6 N10N6-E8 PolarHBondContact O-N 3.19Å; N6-E8 VanDerWaalsContact O-N 3.09Å; E8-N10 VanDerWaalsContact C-N 3.29Å; E8-N10 PolarHBondContact O-N 3.38Å
9N51.2Low56.3Low146 Ų146147.3 Ų147.378%0.78173%0.728SS**  trans-61.693.5169.3-71.4-35.1000109.1E7 Y11E7-N9 PolarHBondContact O-N 3.44Å; N9-Y11 VanDerWaalsContact C-N 3.29Å; N9-Y11 PolarHBondContact O-N 3.13Å
10N54Low57.4Low152 Ų152143 Ų14381%0.81371%0.71SS**  trans-69.986.9174.6-160.827000108.1E8 D12E8-N10 VanDerWaalsContact C-N 3.29Å; E8-N10 PolarHBondContact O-N 3.38Å; N10-D12 PolarHBondContact O-N 3.16Å
11Y58.6Low58.3Low190 Ų190140.9 Ų140.975%0.74570%0.699SS**  trans-70.397176.4-171.7-93.6000108.7N9N9-Y11 VanDerWaalsContact C-N 3.29Å; N9-Y11 PolarHBondContact O-N 3.13Å
12D61.9Low60.1Low80 Ų80132.8 Ų132.843%0.42866%0.664SS.*  trans-83.7116.5175.3-162.3-11.3000109.4N10 D14 F15N10-D12 PolarHBondContact O-N 3.16Å; D12-D14 PolarHBondContact O-N 3.24Å; D12-D14 VanDerWaalsContact O-N 3.15Å; D12-D14 PolarHBondContact OD1-N 3Å; D12-F15 PolarHBondContact O-N 3.4Å
13S65.2Low61.7Low73 Ų73133.6 Ų133.651%0.5166%0.656SS.*G310 helixtrans-64-16.5179.9510000113F15 I16S13-F15 PolarHBondContact O-N 2.85Å; S13-I16 PolarHBondContact O-N 2.98Å
14D65.2Low63.4Low134 Ų134127.9 Ų127.972%0.71764%0.64SS**G310 helixtrans-77.1-7.5-174.4-61.6-0.6000112.3D12D12-D14 PolarHBondContact O-N 3.24Å; D12-D14 VanDerWaalsContact O-N 3.15Å; D12-D14 PolarHBondContact OD1-N 3Å
15F62.8Low64.6Low185 Ų185125.3 Ų125.381%0.81162%0.623SS**G310 helixtrans-92.20174.6-99.3-83.8000114.5D12 S13 D17D12-F15 PolarHBondContact O-N 3.4Å; S13-F15 PolarHBondContact O-N 2.85Å; F15-D17 PolarHBondContact O-N 2.74Å; F15-D17 VanDerWaalsContact O-N 3.14Å
16I67.6Low66Low62 Ų62122.2 Ų122.232%0.31861%0.607SS.*SBendtrans-70.8112.7173.3-59.5174.1000107.1S13 E18 T20 E21S13-I16 PolarHBondContact O-N 2.98Å; I16-E18 PolarHBondContact O-N 3.14Å; I16-T20 HydrophobicContact CG2-CG2 4.12Å; I16-E21 HydrophobicContact CG2-CB 4.23Å
17D76.1Confident67.3Low97 Ų97118 Ų11852%0.51959%0.594SS.*  trans-47.3132.5172-179.53.5000110F15 D19 T20 E21F15-D17 PolarHBondContact O-N 2.74Å; F15-D17 VanDerWaalsContact O-N 3.14Å; D17-D19 PolarHBondContact O-N 2.81Å; D17-D19 VanDerWaalsContact O-N 3.09Å; D17-D19 PolarHBondContact OD1-N 3.45Å; D17-T20 WeakPolarHBondContact O-CA 3.46Å; D17-T20 VanDerWaalsContact O-CB 3.32Å; D17-T20 WeakPolarHBondContact O-CB 3.48Å; D17-T20 PolarHBondContact O-N 3Å; D17-E21 PolarHBondContact O-N 3.21Å
18E75.2Confident68.4Low151 Ų151115.3 Ų115.371%0.70659%0.589SS**Hα-helixtrans-52.9-32.1-178.5-172.2173.9-174.400111.2I16 S22I16-E18 PolarHBondContact O-N 3.14Å; E18-S22 WeakPolarHBondContact O-CB 3.42Å; E18-S22 PolarHBondContact O-N 3.43Å; E18-S22 PolarHBondContact O-OG 3.49Å
19D73.2Confident68.9Low91 Ų91113.1 Ų113.149%0.48758%0.577SS.*Hα-helixtrans-65.9-36.6173.4-89.50.3000112.8D17 R23D17-D19 PolarHBondContact O-N 2.81Å; D17-D19 VanDerWaalsContact O-N 3.09Å; D17-D19 PolarHBondContact OD1-N 3.45Å; D19-R23 WeakPolarHBondContact O-CB 3.23Å; D19-R23 WeakPolarHBondContact O-CG 3.48Å; D19-R23 PolarHBondContact O-N 2.86Å
20T77.5Confident69.1Low61 Ų61113.5 Ų113.537%0.37457%0.572SS.*Hα-helixtrans-75.1-41.6179-53.10000110.8I16 D17 R23 L24I16-T20 HydrophobicContact CG2-CG2 4.12Å; D17-T20 WeakPolarHBondContact O-CA 3.46Å; D17-T20 VanDerWaalsContact O-CB 3.32Å; D17-T20 WeakPolarHBondContact O-CB 3.48Å; D17-T20 PolarHBondContact O-N 3Å; T20-R23 PolarHBondContact O-N 3.46Å; T20-L24 HydrophobicContact CG2-CD1 4.4Å; T20-L24 WeakPolarHBondContact O-CB 3.28Å; T20-L24 WeakPolarHBondContact O-CG 3.43Å; T20-L24 PolarHBondContact O-N 3.28Å
21E77.3Confident69Low99 Ų99115.4 Ų115.446%0.46358%0.576SS.*Hα-helixtrans-61.9-45.9171.8-176.7171.2-164.700110.8I16 D17 R23 L24 Y25I16-E21 HydrophobicContact CG2-CB 4.23Å; D17-E21 PolarHBondContact O-N 3.21Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 2.84Å; E21-L24 PolarHBondContact O-N 3.47Å; E21-Y25 HydrophobicContact CG-CD2 3.83Å; E21-Y25 HydrophobicContact CG-CE2 4.04Å; E21-Y25 PolarHBondContact O-N 3.31Å
22S73.5Confident68.1Low58 Ų58112.8 Ų112.841%0.40658%0.58SS.*Hα-helixtrans-61-39.7176.8-67.80000112.3E18 S26E18-S22 WeakPolarHBondContact O-CB 3.42Å; E18-S22 PolarHBondContact O-N 3.43Å; E18-S22 PolarHBondContact O-OG 3.49Å; S22-S26 VanDerWaalsContact O-CB 3.22Å; S22-S26 WeakPolarHBondContact O-CB 3.14Å; S22-S26 PolarHBondContact O-N 3.26Å; S22-S26 PolarHBondContact O-OG 3.36Å
23R75.6Confident67Low169 Ų169114 Ų11464%0.63860%0.595SS**Hα-helixtrans-66.3-40.8174.2-78.6170.8-174.6158.78112.5D19 T20 E21 S26 A27D19-R23 WeakPolarHBondContact O-CB 3.23Å; D19-R23 WeakPolarHBondContact O-CG 3.48Å; D19-R23 PolarHBondContact O-N 2.86Å; T20-R23 PolarHBondContact O-N 3.46Å; E21-R23 VanDerWaalsContact C-N 3.34Å; E21-R23 PolarHBondContact O-N 2.84Å; R23-S26 PolarHBondContact O-N 3.38Å; R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 2.9Å
24L78.3Confident65.7Low106 Ų106118.1 Ų118.156%0.55561%0.609SS**Hα-helixtrans-66.4-44.1176.7-74.5167.1000111.4T20 E21 A27 V28T20-L24 HydrophobicContact CG2-CD1 4.4Å; T20-L24 WeakPolarHBondContact O-CB 3.28Å; T20-L24 WeakPolarHBondContact O-CG 3.43Å; T20-L24 PolarHBondContact O-N 3.28Å; E21-L24 PolarHBondContact O-N 3.47Å; L24-A27 PolarHBondContact O-N 3.09Å; L24-V28 VanDerWaalsContact O-CG2 3.31Å; L24-V28 WeakPolarHBondContact O-CG2 3.42Å; L24-V28 PolarHBondContact O-N 3.36Å
25Y73.1Confident64.3Low139 Ų139121.8 Ų121.855%0.54561%0.614SS.*Hα-helixtrans-59.9-47172-97.8-87.1000111.1E21 A27 V28 F29E21-Y25 HydrophobicContact CG-CD2 3.83Å; E21-Y25 HydrophobicContact CG-CE2 4.04Å; E21-Y25 PolarHBondContact O-N 3.31Å; Y25-A27 VanDerWaalsContact C-N 3.34Å; Y25-A27 PolarHBondContact O-N 3.49Å; Y25-V28 PolarHBondContact O-N 3.48Å; Y25-F29 AromaticContact CD1-CD2 3.87Å; Y25-F29 HydrophobicContact CD1-CD2 3.87Å; Y25-F29 AromaticContact CD1-CE2 3.6Å; Y25-F29 HydrophobicContact CD1-CE2 3.6Å; Y25-F29 AromaticContact CE1-CE2 3.88Å; Y25-F29 HydrophobicContact CE1-CE2 3.88Å; Y25-F29 VanDerWaalsContact O-CD2 3.25Å; Y25-F29 WeakPolarHBondContact O-CD2 3.45Å; Y25-F29 PolarHBondContact O-N 2.69Å; Y25-F29 VanDerWaalsContact O-N 3.1Å
26S74Confident62.9Low59 Ų59117.8 Ų117.841%0.41361%0.605SS.*Hα-helixtrans-60.9-42.7179.9-60.50000112S22 R23 V28 F29 F30S22-S26 VanDerWaalsContact O-CB 3.22Å; S22-S26 WeakPolarHBondContact O-CB 3.14Å; S22-S26 PolarHBondContact O-N 3.26Å; S22-S26 PolarHBondContact O-OG 3.36Å; R23-S26 PolarHBondContact O-N 3.38Å; S26-V28 VanDerWaalsContact C-N 3.3Å; S26-V28 PolarHBondContact O-N 3.36Å; S26-F29 PolarHBondContact O-N 3.47Å; S26-F30 CarbonylContact O-C 3.49Å; S26-F30 WeakPolarHBondContact O-CA 3.21Å; S26-F30 WeakPolarHBondContact O-CB 3.42Å; S26-F30 PolarHBondContact O-N 3.04Å; S26-F30 VanDerWaalsContact O-O 3.06Å
27A73.8Confident61.3Low72 Ų72120 Ų12060%0.59562%0.624SS**Hα-helixtrans-66.8-28.1179.200000113.9R23 L24 Y25R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 2.9Å; L24-A27 PolarHBondContact O-N 3.09Å; Y25-A27 VanDerWaalsContact C-N 3.34Å; Y25-A27 PolarHBondContact O-N 3.49Å
28V71.1Confident59.2Low113 Ų113120.9 Ų120.969%0.68563%0.633SS**Hα-helixtrans-82.1-34.9179.2173.10000111.8L24 Y25 S26L24-V28 VanDerWaalsContact O-CG2 3.31Å; L24-V28 WeakPolarHBondContact O-CG2 3.42Å; L24-V28 PolarHBondContact O-N 3.36Å; Y25-V28 PolarHBondContact O-N 3.48Å; S26-V28 VanDerWaalsContact C-N 3.3Å; S26-V28 PolarHBondContact O-N 3.36Å
29F62.3Low57.4Low138 Ų138118 Ų11861%0.60563%0.629SS**Hα-helixtrans-103.4-22.8-172.8-68.9-75.2000114.3Y25 S26Y25-F29 AromaticContact CD1-CD2 3.87Å; Y25-F29 HydrophobicContact CD1-CD2 3.87Å; Y25-F29 AromaticContact CD1-CE2 3.6Å; Y25-F29 HydrophobicContact CD1-CE2 3.6Å; Y25-F29 AromaticContact CE1-CE2 3.88Å; Y25-F29 HydrophobicContact CE1-CE2 3.88Å; Y25-F29 VanDerWaalsContact O-CD2 3.25Å; Y25-F29 WeakPolarHBondContact O-CD2 3.45Å; Y25-F29 PolarHBondContact O-N 2.69Å; Y25-F29 VanDerWaalsContact O-N 3.1Å; S26-F29 PolarHBondContact O-N 3.47Å
30F54.8Low55.3Low155 Ų155122 Ų12268%0.6865%0.645SS**SBendtrans-128.1100.6-178.9-53.7-74.1000109.8S26 T32S26-F30 CarbonylContact O-C 3.49Å; S26-F30 WeakPolarHBondContact O-CA 3.21Å; S26-F30 WeakPolarHBondContact O-CB 3.42Å; S26-F30 PolarHBondContact O-N 3.04Å; S26-F30 VanDerWaalsContact O-O 3.06Å; F30-T32 PolarHBondContact O-N 3.17Å
31E51.1Low53.2Low192 Ų192125.7 Ų125.790%0.89766%0.662SS**  trans-60.5123.4171.4-93.2176.6159.400110S33E31-S33 PolarHBondContact O-N 2.88Å
32T40.2Very low50.9Low134 Ų134128.9 Ų128.982%0.82268%0.681SS**  trans-25.397.5172.5470000114.8F30F30-T32 PolarHBondContact O-N 3.17Å
33S40Very low48.9Very low107 Ų107131.8 Ų131.875%0.74870%0.696SS**  trans-73.7127.5144.855.80000107.2E31 Y35E31-S33 PolarHBondContact O-N 2.88Å; S33-Y35 PolarHBondContact O-N 3.47Å
34I36.2Very low46.6Very low158 Ų158129 Ų12981%0.8170%0.703SS**  trans-47.1102.2-179.2-58.9159000109.7T36I34-T36 HydrophobicContact CG2-CG2 4.11Å
35Y36.7Very low44.5Very low211 Ų211133.6 Ų133.683%0.82772%0.718SS**  trans-92.796.3165.5-158.1-93.6000106.4S33 P37S33-Y35 PolarHBondContact O-N 3.47Å; Y35-P37 WeakPolarHBondContact O-CD 3.42Å
36T33.8Very low42.6Very low101 Ų101136.3 Ų136.362%0.6274%0.736SS**  trans-68.4120.1164.1430000107.5I34 V38I34-T36 HydrophobicContact CG2-CG2 4.11Å; T36-V38 PolarHBondContact O-N 3.06Å; T36-V38 VanDerWaalsContact O-N 3.14Å
37P33.5Very low40.3Very low108 Ų108140.6 Ų140.670%0.70175%0.753SS**  trans-64.2119171.526.9-30.4000107.7Y35 S39Y35-P37 WeakPolarHBondContact O-CD 3.42Å; P37-S39 PolarHBondContact O-N 2.99Å
38V33Very low38.4Very low117 Ų117145 Ų14571%0.70977%0.766SS**  trans-65.3102168177.20000106.3T36 H40T36-V38 PolarHBondContact O-N 3.06Å; T36-V38 VanDerWaalsContact O-N 3.14Å; V38-H40 PolarHBondContact O-N 3.01Å; V38-H40 VanDerWaalsContact O-N 3.08Å
39S35.7Very low36.5Very low90 Ų90143.8 Ų143.863%0.62976%0.762SS**  trans-64.2105.5166.653.60000107.8P37 N41P37-S39 PolarHBondContact O-N 2.99Å; S39-N41 PolarHBondContact O-N 2.69Å
40H30Very low35Very low176 Ų176145 Ų14582%0.81578%0.775SS**  trans-6587.6165.2-100.5-98.1000108.4V38 L42V38-H40 PolarHBondContact O-N 3.01Å; V38-H40 VanDerWaalsContact O-N 3.08Å; H40-L42 PolarHBondContact O-N 2.95Å
41N34.2Very low33.9Very low137 Ų137140.8 Ų140.873%0.73378%0.776SS**  trans-78.6108.9162-80.7-35.3000107.5S39 V43S39-N41 PolarHBondContact O-N 2.69Å; N41-V43 PolarHBondContact O-N 3.25Å; N41-V43 VanDerWaalsContact O-N 3.09Å
42L28.5Very low32.8Very low166 Ų166138 Ų13887%0.86977%0.772SS**  trans-45.3111.2162.7-104.484.2000109.5H40H40-L42 PolarHBondContact O-N 2.95Å
43V31.1Very low32.4Very low120 Ų120135.4 Ų135.473%0.72776%0.759SS**  trans-136.5101.3158-179.30000107.6N41 K45N41-V43 PolarHBondContact O-N 3.25Å; N41-V43 VanDerWaalsContact O-N 3.09Å; V43-K45 PolarHBondContact O-N 2.97Å
44S27.9Very low32Very low110 Ų110138.7 Ų138.777%0.76976%0.761SS**  trans-55.3126.3168.9-52.10000110.1
45K33.8Very low31.7Very low202 Ų202138 Ų13888%0.87876%0.758SS**  trans-153.9136156.6-111.7167.6-172.4-176.50111.4V43V43-K45 PolarHBondContact O-N 2.97Å
46Q32.4Very low31.4Very low197 Ų197138.1 Ų138.192%0.92176%0.757SS**  trans-60.1146.8-166.6-74166-39.500114.2
47I27Very low31.4Very low149 Ų149139.5 Ų139.576%0.76476%0.76SS**  trans-60.7139.5164.9-63.9158.3000109.1
48D33.7Very low31.2Very low164 Ų164139.8 Ų139.888%0.87777%0.765SS**  trans-155.6151.9136.9-90-28.9000110.8
49S29.7Very low31.3Very low87 Ų87143.1 Ų143.161%0.60877%0.773SS**  trans-107.6164.2-150.245.30000113.2
50N31.6Very low31.1Very low163 Ų163146.7 Ų146.787%0.87278%0.784SS**  trans119.6133.3150.4-62.5-34000118.7
51G31.6Very low31.2Very low68 Ų68143 Ų14370%0.70178%0.778SS**  trans109.183.2154.900000115.1
52T29.1Very low31.1Very low133 Ų133146.1 Ų146.182%0.81679%0.785SS**  70.198.973.3-39.20000115
53S30.8Very low30.9Very low79 Ų79143.4 Ų143.455%0.55278%0.78SS**  trans49.9137.7140.7630000122.4
54F31.3Very low30.9Very low177 Ų177143.8 Ų143.878%0.77679%0.785SS**  165.7127.9107.5-92.6-75.7000111.9
55L30.7Very low30.8Very low144 Ų144143.8 Ų143.875%0.75478%0.78SS**  trans38.3149.7136.9-57.7174.8000120.1
56R30Very low30.7Very low212 Ų212144.2 Ų144.280%0.878%0.782SS**  cis178.4170.827.9-145.1179.8177.4-169.2-0.6110.1
57N33.1Very low30.5Very low130 Ų130142.6 Ų142.670%0.69578%0.776SS**  trans91.7111.1157.6-47.9-27.4000115.5
58S30.7Very low30.6Very low115 Ų115141.2 Ų141.280%0.80478%0.777SS**  cis65.7111.141.4-62.90000116.5
59E33.8Very low30.3Very low187 Ų187142.9 Ų142.987%0.87478%0.777SS**  trans179.6103144.2-98.3168.4-155.600109
60L31.7Very low30.1Very low165 Ų165147.8 Ų147.886%0.86479%0.79SS**  61.9111.592.2-90.7150.6000116.3
61S32.7Very low30Very low97 Ų97145.9 Ų145.968%0.67879%0.789SS**  166.2129.2109.653.50000116.8
62K32.7Very low29.9Very low204 Ų204147.5 Ų147.589%0.88780%0.795SS**  trans81.1117.3136.8-67.9166.3-175.1177.20122.1
63S23.6Very low29.8Very low109 Ų109148.7 Ų148.776%0.76280%0.796SS**  trans-99.2172.3157.969.10000111.9
64P31.1Very low29.8Very low127 Ų127153.1 Ų153.183%0.82581%0.814SS**  trans-133.6153.8147.534.2-18.3000115.2
65V26.4Very low29.5Very low110 Ų110148 Ų14867%0.66781%0.811SS**  trans-88.6149.5-175.2170.60000112.3
66F30.4Very low29.5Very low212 Ų212149.1 Ų149.193%0.9382%0.816SS**  trans-149.2148.8153.5-98.8-78.5000113.3
67M29Very low29.5Very low162 Ų162143.8 Ų143.880%0.79881%0.811SS**  trans-85.9163.6-160.1-64.2-79.1172.700116.4
68P28.4Very low29.4Very low120 Ų120145.3 Ų145.378%0.77982%0.819SS**  trans-96.9155.8172.836.8-29.4000114
69F28.6Very low29.3Very low199 Ų199145.8 Ų145.887%0.87382%0.818SS**  trans-123.8128.9176.4-116.2-90.1000109.7
70E25Very low29.2Very low191 Ų191145.6 Ų145.689%0.89382%0.822SS**  trans-125.8140.8164.9-80.5-173.2160.300109.5
71C28.7Very low28.8Very low123 Ų123143.7 Ų143.783%0.83182%0.817SS**  trans-143.7117.3166.7-99.40000111.6
72A29.4Very low28.7Very low101 Ų101146.1 Ų146.184%0.83583%0.828SS**  trans22.2129.9144.900000121.9
73N27.7Very low28.4Very low158 Ų158141 Ų14185%0.84582%0.818SS**  trans-72.6145.9159.1-69.9-47.8000111.6
74D30.3Very low28.7Very low173 Ų173143.8 Ų143.893%0.92582%0.823SS**  trans-146.9133.3147.8-100-28.4000110
75G26.2Very low28.4Very low70 Ų70146.7 Ų146.772%0.72283%0.826SS**  trans-95.5148.2-174.500000113.1
76I31Very low28.7Very low167 Ų167147.3 Ų147.386%0.85683%0.83SS**  trans-140.4120.9159.1-60.4179.8000108.2
77S28.2Very low28.6Very low99 Ų99147 Ų14769%0.69283%0.828SS**  trans-68.4145.816850.10000111.4
78D32.2Very low28.7Very low162 Ų162148.2 Ų148.287%0.86683%0.829SS**  trans-158.6128.8139.2-93.8-25.2000112.2
79T27.8Very low28.8Very low125 Ų125149.3 Ų149.377%0.76783%0.828SS**  trans-87130-178.343.40000111.3
80L31.1Very low28.9Very low183 Ų183145.3 Ų145.396%0.95882%0.824SS**  trans-148.5120.6145.5-84-175.8000112.1
81T25Very low29.4Very low126 Ų126142.7 Ų142.777%0.77381%0.81SS**  trans-72.7138.2-178.9-38.80000111.9
82T29.9Very low29.7Very low147 Ų147145.7 Ų145.790%0.90281%0.808SS**  trans-158.3133.3137.1-52.80000111
83S25.8Very low30Very low97 Ų97147.4 Ų147.468%0.67880%0.804SS**  trans-67.1135.8-169.7-172.30000115.6
84L30.1Very low30.4Very low167 Ų167148.6 Ų148.687%0.87480%0.804SS**  trans-153.8105.2151.3-108.2162.7000109.1V86L84-V86 PolarHBondContact O-N 3.13Å
85Q25.9Very low30.6Very low188 Ų188145.8 Ų145.888%0.87980%0.797SS**  trans-64109.7178.4-71.3176.1-25.600110.9
86V31.5Very low30.9Very low123 Ų123151.9 Ų151.975%0.74581%0.806SS**  trans-126.7121.1160.71780000106.9L84 K88L84-V86 PolarHBondContact O-N 3.13Å; V86-K88 PolarHBondContact O-N 3.23Å
87K29.1Very low31.2Very low207 Ų207148.5 Ų148.590%0.980%0.798SS**  trans-47.7112.2174-80-179.3172.6-177.50109.2
88K30.1Very low31.4Very low187 Ų187151.3 Ų151.381%0.81381%0.805SS**  trans-100.7103.2178.3-133.8177.7-176.5178.10106.2V86 C90V86-K88 PolarHBondContact O-N 3.23Å; K88-C90 PolarHBondContact O-N 3.17Å; K88-C90 VanDerWaalsContact O-N 3.13Å
89D31.7Very low31.4Very low142 Ų142151.7 Ų151.776%0.75981%0.807SS**  trans-70.6102.3164.9-67.8-32.3000107F91D89-F91 PolarHBondContact O-N 3.04Å
90C30.5Very low31.5Very low116 Ų116151.5 Ų151.578%0.78481%0.811SS**  trans-72.1105.8174.5-81.40000109.7K88K88-C90 PolarHBondContact O-N 3.17Å; K88-C90 VanDerWaalsContact O-N 3.13Å
91F34.6Very low31.7Very low136 Ų136148.1 Ų148.160%0.59680%0.802SS**PPolyproline II helixtrans-83117158.2-81.1-91.5000107.9D89D89-F91 PolarHBondContact O-N 3.04Å
92K35.1Very low31.9Very low185 Ų185147.6 Ų147.680%0.80480%0.804SS**PPolyproline II helixtrans-76122.1166-74.5-179.6172.9-174.80107.9
93D36.1Very low32Very low138 Ų138145.8 Ų145.874%0.73880%0.797SS**PPolyproline II helixtrans-98121.5164.7-66.1-31.3000106.3
94E35.4Very low32.3Very low182 Ų182146.2 Ų146.285%0.8580%0.801SS**PPolyproline II helixtrans-96.2132.7172.7-64.5-154.9160.900109.3
95C34.5Very low32.2Very low115 Ų115142 Ų14278%0.77780%0.798SS**PPolyproline II helixtrans-90.3128.9175.552.70000109.8
96E33.6Very low32.2Very low197 Ų197139.6 Ų139.692%0.92180%0.8SS**PPolyproline II helixtrans-99.8124.1161.4-71.2-177.5166.900107.4
97S37Very low31.9Very low96 Ų96139 Ų13967%0.67180%0.801SS**  trans-128.9111.2-179.346.20000107.4
98D32.8Very low31.9Very low158 Ų158136 Ų13685%0.84580%0.8SS**  trans-108.8125174.5-76-28.6000110.4
99N32.1Very low31.7Very low170 Ų170135.3 Ų135.391%0.90980%0.804SS**  trans-74.9136-178-73.9-34.3000111.9
100S29.3Very low31.5Very low122 Ų122136.3 Ų136.385%0.85381%0.809SS**  trans-100.9140.8172.147.90000111.6
101S36Very low31.4Very low111 Ų111142.8 Ų142.878%0.77682%0.816SS**  trans-146.7101.4166.359.40000111.6
102S29.6Very low31Very low116 Ų116139.8 Ų139.881%0.81182%0.824SS**  trans21.3128.8140.1580000121
103S31.4Very low30.9Very low108 Ų108134.7 Ų134.776%0.75582%0.824SS**  163.5133.8108.5-177.10000115.2
104S32.3Very low30.6Very low107 Ų107135.6 Ų135.675%0.74883%0.829SS**  trans67.394.2143.364.90000122.3
105G27.2Very low30.6Very low79 Ų79136.2 Ų136.281%0.81483%0.832SS**  32116.9123.900000121.5
106C27Very low30.3Very low136 Ų136136.5 Ų136.592%0.91984%0.835SS**  trans-156.1133.8145.5-138.40000111.4
107S25.7Very low30.6Very low112 Ų112132.1 Ų132.178%0.78383%0.827SS**  trans-108.1125.3-174.746.40000110.8
108V27.7Very low30.2Very low142 Ų142137 Ų13786%0.86184%0.839SS**  trans-145.9135.8167.4-174.30000111.8
109L27.1Very low30.4Very low173 Ų173134.5 Ų134.591%0.90683%0.829SS**  trans-68139.3-176.9-74.1153.3000114
110L26.9Very low30.5Very low164 Ų164135.9 Ų135.986%0.85983%0.83SS**  trans-92.3138.4169.9-71.6169.7000111.2
111R28.9Very low31Very low251 Ų251136.2 Ų136.295%0.94782%0.821SS**  trans-113.6112.4168.1-157.6174.9-165.2-1232.5107.9
112G26.5Very low31Very low74 Ų74135.4 Ų135.476%0.76382%0.815SS**  trans-74.9141.7179.100000112.4
113G31.7Very low31.9Very low78 Ų78135.1 Ų135.180%0.80481%0.809SS**  trans-122.3120.6165.600000108.5
114N29.6Very low32.2Very low156 Ų156138.2 Ų138.283%0.83481%0.811SS**  trans-90121.7176.7-55.3-29.2000107.9
115E34.9Very low32.7Very low195 Ų195135.9 Ų135.991%0.91180%0.804SS**  trans-141.8104.6155.6-68.8-165.1176.400109.5
116S30.2Very low33.6Very low121 Ų121137.4 Ų137.485%0.84680%0.798SS**  trans-82.4119.4167.546.90000109
117S38.2Very low34.6Very low106 Ų106137 Ų13774%0.74179%0.785SS**  trans-132.8124.8158.8510000109.4T119S117-T119 PolarHBondContact O-N 3.07Å
118E30.1Very low35.5Very low199 Ų199139.6 Ų139.693%0.9379%0.789SS**  trans-74.3114.2178.2-59.1176.116700108.1
119T36.3Very low36.5Very low104 Ų104136.9 Ų136.964%0.63879%0.79SS**  trans-111.5119.117142.20000109.8S117 I121S117-T119 PolarHBondContact O-N 3.07Å; T119-I121 PolarHBondContact O-N 3.39Å
120E34.2Very low37.4Very low200 Ų200132.1 Ų132.194%0.93577%0.768SS**  trans-63.1120.9172.7-66.1-179.3157.100109.9
121I39.4Very low37.9Very low129 Ų129127.9 Ų127.966%0.66275%0.752SS**  trans-88.9112.8-177-58169.5000109.3T119T119-I121 PolarHBondContact O-N 3.39Å
122S36.2Very low38.4Very low93 Ų93120.7 Ų120.765%0.6573%0.729SS**  trans-70.3131.7168.4178.10000110.6Q124S122-Q124 VanDerWaalsContact C-N 3.26Å; S122-Q124 PolarHBondContact O-N 3.45Å
123T48.8Very low39.6Very low111 Ų111122.3 Ų122.368%0.68172%0.72SS**SBendtrans-79.20.2-174.149.90000114.5G125T123-G125 PolarHBondContact O-N 3.34Å; T123-G125 VanDerWaalsContact O-N 3.09Å
124Q36.7Very low40.6Very low172 Ų172122.1 Ų122.180%0.80470%0.703SS**THydrogen-bonded Turntrans-81.580.3174.4-10679.712.800111.1S122S122-Q124 VanDerWaalsContact C-N 3.26Å; S122-Q124 PolarHBondContact O-N 3.45Å
125G43.9Very low41.4Very low58 Ų58120.5 Ų120.560%0.59869%0.694SS**THydrogen-bonded Turntrans151.919.2170.400000117.7T123 I127T123-G125 PolarHBondContact O-N 3.34Å; T123-G125 VanDerWaalsContact O-N 3.09Å; G125-I127 PolarHBondContact O-N 3.34Å
126V45.1Very low41.8Very low112 Ų112116.2 Ų116.268%0.67968%0.677SS**  trans-6899-178-174.80000110.5L128V126-L128 PolarHBondContact O-N 3.45Å
127I48.7Very low42.5Very low128 Ų128118 Ų11866%0.65667%0.672SS**  trans-83.5108.9167.8-56.3175.1000107.2G125 G129 V130G125-I127 PolarHBondContact O-N 3.34Å; I127-G129 PolarHBondContact O-N 3Å; I127-V130 HydrophobicContact CB-CG2 3.87Å; I127-V130 HydrophobicContact CG2-CG2 3.56Å; I127-V130 PolarHBondContact O-N 3.28Å
128L45.3Very low42.7Very low165 Ų165118.8 Ų118.886%0.86467%0.671SS**THydrogen-bonded Turntrans-58.6120175.8-66.7172.1000110.2V126V126-L128 PolarHBondContact O-N 3.45Å
129G47.6Very low43.2Very low86 Ų86117.2 Ų117.289%0.88766%0.664SS**THydrogen-bonded Turntrans105.27.7174.100000116.3I127I127-G129 PolarHBondContact O-N 3Å
130V45.4Very low43.2Very low73 Ų73120 Ų12044%0.44268%0.676SS.*  trans-110.7119.8174.8-1580000109I127 T134I127-V130 HydrophobicContact CB-CG2 3.87Å; I127-V130 HydrophobicContact CG2-CG2 3.56Å; I127-V130 PolarHBondContact O-N 3.28Å; V130-T134 HydrophobicContact CG1-CG2 4.39Å; V130-T134 WeakPolarHBondContact CG1-OG1 3.2Å
131S39.3Very low43.2Very low75 Ų75113.5 Ų113.552%0.52466%0.662SS.*  trans-65.3143.3173.750.50000110.3D133 T134S131-D133 PolarHBondContact O-N 3.12Å; S131-T134 WeakPolarHBondContact O-CB 3.33Å; S131-T134 PolarHBondContact O-N 3.14Å; S131-T134 PolarHBondContact O-OG1 2.75Å; S131-T134 PolarHBondContact OG-OG1 2.83Å
132H39.2Very low43.1Very low100 Ų100114.8 Ų114.846%0.46367%0.67SS.*G310 helixtrans-47.2-34.1178.3-172.4-93.8000113.1T134 L135H132-T134 PolarHBondContact O-N 2.96Å; H132-T134 VanDerWaalsContact O-N 3.14Å; H132-L135 PolarHBondContact O-N 2.75Å; H132-L135 VanDerWaalsContact O-N 3.17Å
133D51Low42.9Very low108 Ų108116.3 Ų116.358%0.57868%0.681SS**G310 helixtrans-61.3-23178.3-58.9-15000114S131 H137S131-D133 PolarHBondContact O-N 3.12Å; D133-H137 PolarHBondContact O-ND1 3.24Å
134T52Low42.1Very low73 Ų73115.5 Ų115.545%0.44868%0.679SS.*G310 helixtrans-84.8-20.7-178.5-14.50000112.6V130 S131 H132V130-T134 HydrophobicContact CG1-CG2 4.39Å; V130-T134 WeakPolarHBondContact CG1-OG1 3.2Å; S131-T134 WeakPolarHBondContact O-CB 3.33Å; S131-T134 PolarHBondContact O-N 3.14Å; S131-T134 PolarHBondContact O-OG1 2.75Å; S131-T134 PolarHBondContact OG-OG1 2.83Å; H132-T134 PolarHBondContact O-N 2.96Å; H132-T134 VanDerWaalsContact O-N 3.14Å
135L46.2Very low42.1Very low122 Ų122113 Ų11364%0.63968%0.678SS**THydrogen-bonded Turntrans-78-33.1176.9-101.6160.5000111.7H132 H137H132-L135 PolarHBondContact O-N 2.75Å; H132-L135 VanDerWaalsContact O-N 3.17Å; L135-H137 VanDerWaalsContact C-N 3.33Å; L135-H137 PolarHBondContact O-N 3.14Å
136L43.5Very low41.9Very low106 Ų106116.6 Ų116.656%0.55569%0.688SS**THydrogen-bonded Turntrans-77.5-14.2-179-67.6171.8000114.2
137H44.6Very low41.6Very low159 Ų159116.6 Ų116.674%0.73669%0.688SS**THydrogen-bonded Turntrans-92.45-178.9-75.798.9000114.5D133 L135D133-H137 PolarHBondContact O-ND1 3.24Å; L135-H137 VanDerWaalsContact C-N 3.33Å; L135-H137 PolarHBondContact O-N 3.14Å
138V44.2Very low40.8Very low121 Ų121115.7 Ų115.773%0.73369%0.691SS**SBendtrans-94.2-15.7179-179.40000112.5
139E40.7Very low40.3Very low166 Ų166113.1 Ų113.178%0.77669%0.685SS**SBendtrans-92.3-3.7-170.6-64.8-166.3152.800115.8
140N35.8Very low39.6Very low164 Ų164117.1 Ų117.188%0.87768%0.681SS**SBendtrans-125.785.4-177.6-81.4-24.7000112.3
141G32.9Very low39.4Very low63 Ų63119.1 Ų119.165%0.64969%0.693SS**SBendtrans163.798.6166.800000115.2
142N37.4Very low39.6Very low155 Ų155120.3 Ų120.383%0.82970%0.698SS**  trans75.795.1153.7-54.5-17.9000118.1S144N142-S144 PolarHBondContact O-N 3.02Å
143S31.9Very low39.9Very low126 Ų126124.4 Ų124.488%0.88172%0.715SS**  trans8.495.5138.260.50000117.3
144S33.8Very low40Very low93 Ų93124.1 Ų124.165%0.6571%0.713SS**  trans-152.9141.4154.4-172.70000106.2N142 V146N142-S144 PolarHBondContact O-N 3.02Å; S144-V146 VanDerWaalsContact C-N 3.32Å; S144-V146 PolarHBondContact O-N 3.15Å
145P36Very low40.3Very low120 Ų120126.9 Ų126.978%0.77973%0.725SS**  trans-70.894.3-175.229.7-31.1000108.3V147P145-V147 PolarHBondContact O-N 3.36Å
146V38.5Very low41.6Very low133 Ų133125.8 Ų125.881%0.80672%0.72SS**  trans-69101.7173.9178.20000106.6S144S144-V146 VanDerWaalsContact C-N 3.32Å; S144-V146 PolarHBondContact O-N 3.15Å
147V39Very low42.7Very low112 Ų112125.5 Ų125.568%0.67972%0.724SS**  trans-47130.5166.1175.60000107.8P145 C149P145-V147 PolarHBondContact O-N 3.36Å; V147-C149 PolarHBondContact O-N 3.37Å
148P32.1Very low43.8Very low109 Ų109124.1 Ų124.171%0.70872%0.722SS**  trans-59.4104.6172.1-16.128.1000107.2Q150P148-Q150 PolarHBondContact O-N 2.71Å
149C34.8Very low44.9Very low111 Ų111124 Ų12475%0.7572%0.717SS**  trans-7387178.3-144.90000106.2V147 T151V147-C149 PolarHBondContact O-N 3.37Å; C149-T151 PolarHBondContact O-N 3.28Å
150Q34.3Very low46.3Very low171 Ų171125.5 Ų125.580%0.79972%0.716SS**  trans-58.993.7162.4-65.8-177.514.200105.6P148 T152P148-Q150 PolarHBondContact O-N 2.71Å; Q150-T152 PolarHBondContact O-N 3.24Å
151T40.3Very low48Very low114 Ų114125.3 Ų125.370%0.69971%0.707SS**  trans-7280.1175430000107.6C149 F153C149-T151 PolarHBondContact O-N 3.28Å; T151-F153 PolarHBondContact O-N 3.35Å
152T42.9Very low49.5Very low101 Ų101127.5 Ų127.562%0.6270%0.703SS**  trans-52.9117.4150.750.50000105.9Q150 N154Q150-T152 PolarHBondContact O-N 3.24Å; T152-N154 PolarHBondContact O-N 3.32Å
153F45.3Very low50.9Low186 Ų186123.4 Ų123.482%0.81669%0.685SS**  trans-51.4105.8172.9-70.9-90.4000107.7T151 D155T151-F153 PolarHBondContact O-N 3.35Å; F153-D155 VanDerWaalsContact C-N 3.29Å; F153-D155 PolarHBondContact O-N 2.92Å
154N54Low52.5Low101 Ų101122.8 Ų122.854%0.5467%0.672SS.*  trans-76.792.2175.5-76.5-36.1000106.6T152 D156 L159T152-N154 PolarHBondContact O-N 3.32Å; N154-D156 PolarHBondContact O-N 3.38Å; N154-L159 HydrophobicContact CB-CD1 3.69Å
155D58.9Low53.9Low132 Ų132121.6 Ų121.671%0.70667%0.668SS**  trans-69.614.4177-69.4-30.8000113.2F153 P157F153-D155 VanDerWaalsContact C-N 3.29Å; F153-D155 PolarHBondContact O-N 2.92Å; D155-P157 WeakPolarHBondContact O-CD 3.49Å
156D72.1Confident55.2Low99 Ų99121.2 Ų121.253%0.52966%0.659SS.*  trans-70.9114.2-179.3-88.8-27.6000110.5N154 N158 L159N154-D156 PolarHBondContact O-N 3.38Å; D156-N158 PolarHBondContact O-N 3.44Å; D156-L159 HydrophobicContact CB-CD1 4.05Å; D156-L159 HydrophobicContact CB-CG 4.48Å; D156-L159 PolarHBondContact O-N 3.36Å
157P67.9Low56.3Low100 Ų100121.5 Ų121.565%0.64965%0.65SS**THydrogen-bonded Turntrans-64.7-12.7-178.125.2-33.2000113.1D155D155-P157 WeakPolarHBondContact O-CD 3.49Å
158N68Low57Low129 Ų129124.6 Ų124.669%0.6965%0.65SS**THydrogen-bonded Turntrans-76.2-24.9173.8-77.5-30.2000113.5D156 W160D156-N158 PolarHBondContact O-N 3.44Å; N158-W160 VanDerWaalsContact C-N 3.27Å
159L65.5Low58Low118 Ų118124 Ų12462%0.61865%0.649SS**THydrogen-bonded Turntrans-74.9-19.9173.9-79.4160.8000112.1N154 D156N154-L159 HydrophobicContact CB-CD1 3.69Å; D156-L159 HydrophobicContact CB-CD1 4.05Å; D156-L159 HydrophobicContact CB-CG 4.48Å; D156-L159 PolarHBondContact O-N 3.36Å
160W70.8Confident58.7Low199 Ų199123.3 Ų123.375%0.75465%0.645SS**THydrogen-bonded Turntrans-100.34-177.6-61.533.1000111.9N158 I162N158-W160 VanDerWaalsContact C-N 3.27Å; W160-I162 PolarHBondContact O-N 3.14Å
161K71Confident59.4Low159 Ų159127.2 Ų127.269%0.69165%0.653SS**SBendtrans-74111180-168.3175.9-176.3177.60109C163K161-C163 PolarHBondContact O-N 2.77Å
162I66Low59.9Low110 Ų110126 Ų12656%0.56465%0.648SS**  trans-48.7117.6173.1-58.6172.9000108.7W160 D166 K167W160-I162 PolarHBondContact O-N 3.14Å; I162-D166 HydrophobicContact CG2-CB 3.82Å; I162-K167 HydrophobicContact CG2-CG 4.17Å
163C65.1Low60.4Low69 Ų69128.3 Ų128.347%0.46666%0.663SS.*  trans-64.4146-178.5-176.60000109.2K161 A165 D166 K167K161-C163 PolarHBondContact O-N 2.77Å; C163-A165 PolarHBondContact O-N 3.37Å; C163-A165 VanDerWaalsContact O-N 3.13Å; C163-D166 WeakPolarHBondContact CB-OD2 3.33Å; C163-D166 PolarHBondContact N-OD2 3.38Å; C163-D166 WeakPolarHBondContact O-CA 3.29Å; C163-D166 WeakPolarHBondContact O-CB 3.42Å; C163-D166 PolarHBondContact O-N 3.45Å; C163-K167 PolarHBondContact O-N 3.41Å; C163-K167 VanDerWaalsContact O-N 3.12Å
164N66.3Low60.7Low113 Ų113123.2 Ų123.260%0.60464%0.644SS**Hα-helixtrans-60.5-24175.8-75-32.7000112.1D166 K167 Y168N164-D166 VanDerWaalsContact C-N 3.31Å; N164-K167 PolarHBondContact O-N 3.03Å; N164-Y168 WeakPolarHBondContact O-CD2 3.35Å; N164-Y168 PolarHBondContact O-N 3.03Å; N164-Y168 VanDerWaalsContact O-N 3.12Å
165A62.4Low60.7Low67 Ų67120.8 Ų120.855%0.55464%0.635SS**Hα-helixtrans-65.9-31.3171.200000112.8C163 S169C163-A165 PolarHBondContact O-N 3.37Å; C163-A165 VanDerWaalsContact O-N 3.13Å; A165-S169 VanDerWaalsContact O-CA 3.25Å; A165-S169 WeakPolarHBondContact O-CA 3.5Å; A165-S169 PolarHBondContact O-N 2.92Å
166D64.7Low60.5Low113 Ų113124.4 Ų124.460%0.60464%0.639SS**Hα-helixtrans-78.5-38175.5-55.1-36.6000111.1I162 C163 N164 Y168I162-D166 HydrophobicContact CG2-CB 3.82Å; C163-D166 WeakPolarHBondContact CB-OD2 3.33Å; C163-D166 PolarHBondContact N-OD2 3.38Å; C163-D166 WeakPolarHBondContact O-CA 3.29Å; C163-D166 WeakPolarHBondContact O-CB 3.42Å; C163-D166 PolarHBondContact O-N 3.45Å; N164-D166 VanDerWaalsContact C-N 3.31Å; D166-Y168 VanDerWaalsContact C-N 3.3Å; D166-Y168 PolarHBondContact O-N 3.27Å
167K61Low59.6Low138 Ų138129.3 Ų129.360%0.665%0.651SS**Hα-helixtrans-64.4-32.6176.7-100.3-178.1175.2177.40113.5I162 C163 N164I162-K167 HydrophobicContact CG2-CG 4.17Å; C163-K167 PolarHBondContact O-N 3.41Å; C163-K167 VanDerWaalsContact O-N 3.12Å; N164-K167 PolarHBondContact O-N 3.03Å
168Y54.6Low58.6Low178 Ų178131.4 Ų131.470%0.69865%0.651SS**THydrogen-bonded Turntrans-127.335-176.3-59.7-75.6000111.8N164 D166 S170N164-Y168 WeakPolarHBondContact O-CD2 3.35Å; N164-Y168 PolarHBondContact O-N 3.03Å; N164-Y168 VanDerWaalsContact O-N 3.12Å; D166-Y168 VanDerWaalsContact C-N 3.3Å; D166-Y168 PolarHBondContact O-N 3.27Å; Y168-S170 PolarHBondContact O-N 2.73Å
169S52.9Low57.4Low96 Ų96131.3 Ų131.367%0.67165%0.65SS**  trans-49.4112.6173.9-170.20000107.5A165 R171A165-S169 VanDerWaalsContact O-CA 3.25Å; A165-S169 WeakPolarHBondContact O-CA 3.5Å; A165-S169 PolarHBondContact O-N 2.92Å; S169-R171 PolarHBondContact O-N 3.11Å
170S49.1Very low56.5Low96 Ų96130.9 Ų130.967%0.67166%0.657SS**  trans-42.9140.2-167.5-56.90000109.6Y168 S172Y168-S170 PolarHBondContact O-N 2.73Å; S170-S172 PolarHBondContact O-N 3.38Å
171R48.4Very low55.4Low254 Ų254127.8 Ų127.896%0.95865%0.654SS**SBendtrans-50.514-178.4-68.2174161.7-150.7-2.9117.1S169 T173S169-R171 PolarHBondContact O-N 3.11Å; R171-T173 PolarHBondContact O-N 3.44Å
172S50.8Low54.6Low87 Ų87124.3 Ų124.361%0.60864%0.643SS**  trans-68.7109.7165-176.90000109.5S170 N174S170-S172 PolarHBondContact O-N 3.38Å; S172-N174 PolarHBondContact O-N 3.34Å
173T52.9Low53.8Low151 Ų151125.1 Ų125.193%0.92665%0.649SS**  trans-62.810.1173.743.20000114.3R171R171-T173 PolarHBondContact O-N 3.44Å
174N52.6Low53.2Low79 Ų79123.9 Ų123.942%0.42264%0.641SS.*SBendtrans-118.4108.5-162.9-146.714.1000110.8S172 F196S172-N174 PolarHBondContact O-N 3.34Å; N174-F196 WeakPolarHBondContact ND2-CZ 3.44Å
175S53.8Low52.8Low50 Ų50123.4 Ų123.435%0.3564%0.638SS.*  trans72.793.9170.4-169.20000117.3F178S175-F178 WeakPolarHBondContact OG-CA 3.47Å; S175-F178 WeakPolarHBondContact OG-CB 3.14Å; S175-F178 PolarHBondContact OG-N 2.81Å; S175-F178 PolarHBondContact OG-O 3.35Å
176R54.5Low52.4Low208 Ų208121 Ų12179%0.78562%0.617SS**SBendtrans-97.3-15.7162.4-153.2-179.3-64.4-170.60.4112.9
177Y53.8Low52Low201 Ų201121.5 Ų121.579%0.78863%0.629SS**SBendtrans-126.7-1.1-175.5-60.3-75000113.4
178F46.2Very low51.6Low145 Ų145122.1 Ų122.164%0.63663%0.634SS**  trans-117.665.5178.2-56.6-79.3000109.6S175 S180S175-F178 WeakPolarHBondContact OG-CA 3.47Å; S175-F178 WeakPolarHBondContact OG-CB 3.14Å; S175-F178 PolarHBondContact OG-N 2.81Å; S175-F178 PolarHBondContact OG-O 3.35Å; F178-S180 PolarHBondContact O-N 3.06Å
179N43.9Very low51.9Low126 Ų126115.4 Ų115.467%0.67461%0.612SS**  trans-84112.1171.9-70.1-18.1000108.3L181N179-L181 VanDerWaalsContact C-N 3.31Å; N179-L181 PolarHBondContact O-N 2.87Å
180S46.1Very low52Low109 Ų109113.4 Ų113.476%0.76261%0.607SS**SBendtrans63.24.9152.3-47.70000120.4F178 D182F178-S180 PolarHBondContact O-N 3.06Å; S180-D182 PolarHBondContact O-N 3.45Å; S180-D182 VanDerWaalsContact O-N 3.08Å
181L48.2Very low52.2Low134 Ų134111.8 Ų111.870%0.70260%0.596SS**  trans-85.255.6163.2-150.775.1000110.9N179 N183 S184N179-L181 VanDerWaalsContact C-N 3.31Å; N179-L181 PolarHBondContact O-N 2.87Å; L181-N183 PolarHBondContact O-N 3.22Å; L181-S184 PolarHBondContact O-N 2.92Å; L181-S184 PolarHBondContact O-OG 2.91Å
182D53Low52.3Low87 Ų87106.8 Ų106.847%0.46558%0.581SS.*THydrogen-bonded Turntrans-64.813.7179.8-93-13.4000113.7S180 K195S180-D182 PolarHBondContact O-N 3.45Å; S180-D182 VanDerWaalsContact O-N 3.08Å; D182-K195 WeakPolarHBondContact OD1-CE 3.36Å; D182-K195 IonicContact OD1-NZ 3.25Å; D182-K195 VanDerWaalsContact OD2-CE 3.27Å; D182-K195 WeakPolarHBondContact OD2-CE 2.9Å; D182-K195 IonicContact OD2-NZ 2.88Å; D182-K195 PolarHBondContact OD2-NZ 2.95Å
183N50.5Low52.1Low127 Ų127109.1 Ų109.168%0.67958%0.576SS**THydrogen-bonded Turntrans-128.98.5179.2-79.7-18.3000114.5L181 L185L181-N183 PolarHBondContact O-N 3.22Å; N183-L185 PolarHBondContact O-N 2.95Å
184S52.7Low51.7Low42 Ų42108.6 Ų108.629%0.29456%0.564SS.*  trans-74.9113173.651.80000110.8L181 R193L181-S184 PolarHBondContact O-N 2.92Å; L181-S184 PolarHBondContact O-OG 2.91Å; S184-R193 WeakPolarHBondContact O-CG 3.38Å
185L56.1Low51.4Low104 Ų104111.4 Ų111.455%0.54557%0.572SS.*BIsolated β-bridgetrans-67.1139.4171.1-58.4170.8000108.3N183 S187 K192N183-L185 PolarHBondContact O-N 2.95Å; L185-S187 PolarHBondContact O-N 3.09Å; L185-K192 HydrophobicContact CD2-CG 4.11Å
186C55.6Low51.3Low16 Ų16116.7 Ų116.711%0.10859%0.589CS.*  trans-72.2129.4171.9121.70000110E188 C189 G190 S191C186-E188 PolarHBondContact O-N 3.47Å; C186-E188 VanDerWaalsContact O-N 3.1Å; C186-C189 WeakPolarHBondContact CB-SG 3.08Å; C186-C189 PolarHBondContact O-N 3.1Å; C186-C189 VanDerWaalsContact O-N 3.16Å; C186-C189 WeakPolarHBondContact SG-CB 3.18Å; C186-C189 PolarHBondContact SG-N 2.96Å; C186-C189 CovalentContact SG-SG 2.03Å; C186-C189 PolarHBondContact SG-SG 3.43Å; C186-G190 PolarHBondContact O-N 3.41Å; C186-S191 PolarHBondContact N-O 3.36Å
187S56.4Low50.9Low123 Ų123113.1 Ų113.186%0.8658%0.581SS**THydrogen-bonded Turntrans-59.7-23.8-173.1-47.50000113.9L185L185-S187 PolarHBondContact O-N 3.09Å
188E52.7Low50.8Low152 Ų152110.6 Ų110.671%0.7157%0.57SS**THydrogen-bonded Turntrans-94.8-19.4-178.2-72.9169.5170.300113.7C186 C200C186-E188 PolarHBondContact O-N 3.47Å; C186-E188 VanDerWaalsContact O-N 3.1Å; E188-C200 PolarHBondContact OE2-SG 2.88Å
189C59.7Low51.1Low36 Ų36106.2 Ų106.224%0.24356%0.557CS.*THydrogen-bonded Turntrans-131.1-7.8-166.267.50000114.6C186 S191 C199C186-C189 WeakPolarHBondContact CB-SG 3.08Å; C186-C189 PolarHBondContact O-N 3.1Å; C186-C189 VanDerWaalsContact O-N 3.16Å; C186-C189 WeakPolarHBondContact SG-CB 3.18Å; C186-C189 PolarHBondContact SG-N 2.96Å; C186-C189 CovalentContact SG-SG 2.03Å; C186-C189 PolarHBondContact SG-SG 3.43Å; C189-S191 PolarHBondContact O-N 2.88Å; C189-S191 PolarHBondContact O-OG 3.22Å; C189-S191 VanDerWaalsContact O-OG 3.12Å; C189-C199 HydrophobicContact CB-CB 4.01Å; C189-C199 WeakPolarHBondContact CB-SG 3.24Å; C189-C199 WeakPolarHBondContact SG-CB 3.43Å; C189-C199 PolarHBondContact SG-SG 3.33Å
190G55.5Low51.7Low55 Ų55102 Ų10257%0.56754%0.537SS*.  trans59.98.7176.200000115.3C186C186-G190 PolarHBondContact O-N 3.41Å
191S53.9Low52.6Low61 Ų6198.7 Ų98.743%0.42751%0.512SS..  trans-98.3141.1-173.9-63.60000110.3C186 C189 R193C186-S191 PolarHBondContact N-O 3.36Å; C189-S191 PolarHBondContact O-N 2.88Å; C189-S191 PolarHBondContact O-OG 3.22Å; C189-S191 VanDerWaalsContact O-OG 3.12Å; S191-R193 PolarHBondContact O-N 2.88Å
192K49Very low53.8Low150 Ų15095.2 Ų95.265%0.65250%0.498SS*.BIsolated β-bridgetrans-53.1127170.6-68.8-176.9-179.7-178.10107.6L185 Q194L185-K192 HydrophobicContact CD2-CG 4.11Å; K192-Q194 PolarHBondContact O-N 3.47Å
193R47Very low55.2Low135 Ų13591.1 Ų91.151%0.50948%0.477SS..  trans-59.585172.2-79.4177.6174.3-1151.7109.1S184 S191 K195S184-R193 WeakPolarHBondContact O-CG 3.38Å; S191-R193 PolarHBondContact O-N 2.88Å; R193-K195 PolarHBondContact O-N 2.95Å
194Q43.9Very low56.7Low141 Ų14191.6 Ų91.666%0.65948%0.478SS*.  trans-61.8131.8162.6-73.4-162.7-11.100106.4K192 F196 H197K192-Q194 PolarHBondContact O-N 3.47Å; Q194-F196 PolarHBondContact O-N 3.4Å; Q194-H197 HydrophobicContact CB-CB 4.2Å; Q194-H197 PolarHBondContact O-N 3.18Å
195K48.1Very low58.1Low138 Ų13893.1 Ų93.160%0.648%0.482SS*.THydrogen-bonded Turntrans-50.7-2.7-168.7-78.7170.6175.5161.50116.8D182 R193D182-K195 WeakPolarHBondContact OD1-CE 3.36Å; D182-K195 IonicContact OD1-NZ 3.25Å; D182-K195 VanDerWaalsContact OD2-CE 3.27Å; D182-K195 WeakPolarHBondContact OD2-CE 2.9Å; D182-K195 IonicContact OD2-NZ 2.88Å; D182-K195 PolarHBondContact OD2-NZ 2.95Å; R193-K195 PolarHBondContact O-N 2.95Å
196F50.1Low59.4Low161 Ų16189.7 Ų89.771%0.70647%0.466SS*.THydrogen-bonded Turntrans-143.82.4-179.8-65.3-79.3000114.5N174 Q194 R198N174-F196 WeakPolarHBondContact ND2-CZ 3.44Å; Q194-F196 PolarHBondContact O-N 3.4Å; F196-R198 PolarHBondContact O-N 3.48Å
197H45.6Very low60.7Low133 Ų13391.7 Ų91.762%0.61649%0.49SS*.  trans-93.796.3179.2-137.5-82.3000108.9Q194 C199Q194-H197 HydrophobicContact CB-CB 4.2Å; Q194-H197 PolarHBondContact O-N 3.18Å; H197-C199 PolarHBondContact O-N 3.33Å
198R53.2Low61.8Low147 Ų14790.3 Ų90.356%0.55547%0.47SS*.  trans-60.384.3163.4-77.3176.4176.6149.40.6107.3F196 C200 T201 E212F196-R198 PolarHBondContact O-N 3.48Å; R198-C200 CarbonylContact O-C 3.6Å; R198-C200 PolarHBondContact O-N 3.32Å; R198-T201 HydrophobicContact CB-CG2 3.4Å; R198-T201 VanDerWaalsContact CB-CG2 3.4Å; R198-T201 HydrophobicContact CG-CG2 4.28Å; R198-T201 PolarHBondContact O-N 3.27Å; R198-E212 IonicContact CZ-OE1 2.73Å; R198-E212 IonicContact NH1-OE1 3.5Å; R198-E212 PolarHBondContact NH1-OE1 3Å; R198-E212 IonicContact NH1-OE2 2.67Å; R198-E212 PolarHBondContact NH1-OE2 3.43Å
199C51.7Low63.1Low54 Ų5489.1 Ų89.137%0.36546%0.464SS..SBendtrans-63.3-14.9-176.9-151.90000112.7C189 H197C189-C199 HydrophobicContact CB-CB 4.01Å; C189-C199 WeakPolarHBondContact CB-SG 3.24Å; C189-C199 WeakPolarHBondContact SG-CB 3.43Å; C189-C199 PolarHBondContact SG-SG 3.33Å; H197-C199 PolarHBondContact O-N 3.33Å
200C57.2Low64.1Low36 Ų3690.4 Ų90.424%0.24348%0.483CS..SBendtrans-125.992.8159.2-46.60000106.7E188 R198 C202E188-C200 PolarHBondContact OE2-SG 2.88Å; R198-C200 CarbonylContact O-C 3.6Å; R198-C200 PolarHBondContact O-N 3.32Å; C200-C202 VanDerWaalsContact C-N 3.25Å; C200-C202 PolarHBondContact O-N 2.85Å
201T65Low65.4Low40 Ų4089.3 Ų89.325%0.24546%0.464CS..  trans-71.387.2168.6480000107.8R198 E209 G210R198-T201 HydrophobicContact CB-CG2 3.4Å; R198-T201 VanDerWaalsContact CB-CG2 3.4Å; R198-T201 HydrophobicContact CG-CG2 4.28Å; R198-T201 PolarHBondContact O-N 3.27Å; T201-E209 CarbonylContact O-C 3.53Å; T201-E209 WeakPolarHBondContact O-CA 3.33Å; T201-G210 PolarHBondContact O-N 3.48Å
202C73.2Confident66.7Low61 Ų6190.4 Ų90.441%0.41246%0.462SS..BIsolated β-bridgetrans-84.7126.3170.6-55.30000109C200 I204 E209C200-C202 VanDerWaalsContact C-N 3.25Å; C200-C202 PolarHBondContact O-N 2.85Å; C202-I204 PolarHBondContact O-N 3.35Å; C202-E209 WeakPolarHBondContact SG-CG 3.44Å
203C81.7Confident68.2Low2 Ų287 Ų871%0.01445%0.447CS..  trans-66.2123.1175.6171.80000110.4L205 C206 G207 E208 H211 C216C203-L205 PolarHBondContact O-N 2.98Å; C203-L205 PolarHBondContact SG-N 3.43Å; C203-L205 VanDerWaalsContact SG-N 3.35Å; C203-C206 WeakPolarHBondContact CB-SG 3.39Å; C203-C206 PolarHBondContact O-N 3.44Å; C203-C206 VanDerWaalsContact SG-SG 3.63Å; C203-G207 WeakPolarHBondContact O-CA 3.36Å; C203-G207 PolarHBondContact O-N 3.1Å; C203-E208 PolarHBondContact N-O 2.95Å; C203-H211 WeakPolarHBondContact CA-O 3.41Å; C203-H211 VanDerWaalsContact CB-NE2 3.28Å; C203-H211 WeakPolarHBondContact CB-NE2 3.24Å; C203-H211 WeakPolarHBondContact CB-O 3.26Å; C203-H211 PolarHBondContact N-O 3.23Å; C203-H211 PolarHBondContact SG-NE2 3.41Å; C203-C216 WeakPolarHBondContact SG-CB 3.32Å; C203-C216 PolarHBondContact SG-SG 3.35Å
204I82.6Confident69.6Low137 Ų13786.1 Ų86.170%0.70345%0.452SS*.THydrogen-bonded Turntrans-63.6-13.5178.858157.6000114.3C202 K213C202-I204 PolarHBondContact O-N 3.35Å; I204-K213 HydrophobicContact CD1-CB 4.22Å; I204-K213 HydrophobicContact CD1-CD 4.06Å; I204-K213 HydrophobicContact CD1-CG 4.07Å; I204-K213 HydrophobicContact CG1-CB 3.95Å; I204-K213 HydrophobicContact CG1-CG 4.11Å
205L82.5Confident71.1Confident74 Ų7485.8 Ų85.839%0.38745%0.451SS..THydrogen-bonded Turntrans-93.6-36.6-179.5-59.8-179.5000112.8C203 K213 C216 M219C203-L205 PolarHBondContact O-N 2.98Å; C203-L205 PolarHBondContact SG-N 3.43Å; C203-L205 VanDerWaalsContact SG-N 3.35Å; L205-K213 HydrophobicContact CD1-CG 3.68Å; L205-K213 HydrophobicContact CD2-CG 4.37Å; L205-K213 HydrophobicContact CG-CG 3.88Å; L205-C216 HydrophobicContact CD1-CB 4.19Å; L205-M219 HydrophobicContact CD1-CB 3.83Å
206C83.3Confident72.7Confident31 Ų3179.3 Ų79.321%0.20942%0.423CS..THydrogen-bonded Turntrans-119.1-11.3-17569.10000115.2C203 E208 H211 K218C203-C206 WeakPolarHBondContact CB-SG 3.39Å; C203-C206 PolarHBondContact O-N 3.44Å; C203-C206 VanDerWaalsContact SG-SG 3.63Å; C206-E208 PolarHBondContact O-N 3.34Å; C206-E208 PolarHBondContact SG-N 3.45Å; C206-E208 VanDerWaalsContact SG-N 3.41Å; C206-E208 PolarHBondContact SG-OE2 3.32Å; C206-E208 VanDerWaalsContact SG-OE2 3.36Å; C206-H211 PolarHBondContact SG-CE1 2.76Å; C206-H211 PolarHBondContact SG-NE2 3.41Å; C206-K218 HydrophobicContact CB-CB 4.23Å; C206-K218 HydrophobicContact CB-CD 3.58Å; C206-K218 HydrophobicContact CB-CG 4.22Å
207G81.7Confident74.1Confident58 Ų5878 Ų7860%0.59842%0.423SS*.  trans71.93.6-176.500000114.6C203C203-G207 WeakPolarHBondContact O-CA 3.36Å; C203-G207 PolarHBondContact O-N 3.1Å
208E79.5Confident75.6Confident95 Ų9576.1 Ų76.144%0.44441%0.413SS..  trans-84140.8178-67.9163.4163.600110.6C203 C206 H211 K218C203-E208 PolarHBondContact N-O 2.95Å; C206-E208 PolarHBondContact O-N 3.34Å; C206-E208 PolarHBondContact SG-N 3.45Å; C206-E208 VanDerWaalsContact SG-N 3.41Å; C206-E208 PolarHBondContact SG-OE2 3.32Å; C206-E208 VanDerWaalsContact SG-OE2 3.36Å; E208-H211 IonicContact OE2-CE1 3.66Å; E208-K218 IonicContact OE1-NZ 3.31Å; E208-K218 PolarHBondContact OE1-NZ 3.33Å; E208-K218 WeakPolarHBondContact OE2-CE 3.41Å; E208-K218 IonicContact OE2-NZ 3.47Å; E208-K218 PolarHBondContact OE2-NZ 3.23Å
209E81.5Confident76.9Confident126 Ų12670.5 Ų70.559%0.58939%0.394SS*.BIsolated β-bridgetrans-72.1158172.9-71.7168.9-152.600111.9T201 C202T201-E209 CarbonylContact O-C 3.53Å; T201-E209 WeakPolarHBondContact O-CA 3.33Å; C202-E209 WeakPolarHBondContact SG-CG 3.44Å
210G80.4Confident78.4Confident63 Ų6374.3 Ų74.365%0.64940%0.401SS*.THydrogen-bonded Turntrans93.22.7170.400000116.2T201T201-G210 PolarHBondContact O-N 3.48Å
211H82Confident79.5Confident33 Ų3372.6 Ų72.615%0.15339%0.39CS..  trans-152.4158.7172.868.8-83000112.5C203 C206 E208 E215 C216C203-H211 WeakPolarHBondContact CA-O 3.41Å; C203-H211 VanDerWaalsContact CB-NE2 3.28Å; C203-H211 WeakPolarHBondContact CB-NE2 3.24Å; C203-H211 WeakPolarHBondContact CB-O 3.26Å; C203-H211 PolarHBondContact N-O 3.23Å; C203-H211 PolarHBondContact SG-NE2 3.41Å; C206-H211 PolarHBondContact SG-CE1 2.76Å; C206-H211 PolarHBondContact SG-NE2 3.41Å; E208-H211 IonicContact OE2-CE1 3.66Å; H211-E215 HydrophobicContact CB-CB 4Å; H211-C216 WeakPolarHBondContact CD2-CA 3.24Å; H211-C216 PolarHBondContact NE2-SG 3.15Å
212E81.1Confident80.1Confident83 Ų8377 Ų7739%0.38840%0.403SS..  trans-95.5174.8175.9-58.1-154162.700112.8R198 D214 E215 C216R198-E212 IonicContact CZ-OE1 2.73Å; R198-E212 IonicContact NH1-OE1 3.5Å; R198-E212 PolarHBondContact NH1-OE1 3Å; R198-E212 IonicContact NH1-OE2 2.67Å; R198-E212 PolarHBondContact NH1-OE2 3.43Å; E212-D214 PolarHBondContact O-N 3.41Å; E212-D214 VanDerWaalsContact O-N 3.13Å; E212-E215 PolarHBondContact O-N 3.35Å; E212-E215 VanDerWaalsContact O-N 3.11Å; E212-C216 PolarHBondContact O-N 3.45Å
213K80.5Confident80.3Confident79 Ų7974.7 Ų74.734%0.34339%0.388SS..G310 helixtrans-49.1-41.3178.6-175.3-157.9179-179.10112.6I204 L205 E215 C216I204-K213 HydrophobicContact CD1-CB 4.22Å; I204-K213 HydrophobicContact CD1-CD 4.06Å; I204-K213 HydrophobicContact CD1-CG 4.07Å; I204-K213 HydrophobicContact CG1-CB 3.95Å; I204-K213 HydrophobicContact CG1-CG 4.11Å; L205-K213 HydrophobicContact CD1-CG 3.68Å; L205-K213 HydrophobicContact CD2-CG 4.37Å; L205-K213 HydrophobicContact CG-CG 3.88Å; K213-E215 VanDerWaalsContact C-N 3.33Å; K213-C216 WeakPolarHBondContact O-CB 3.35Å; K213-C216 PolarHBondContact O-N 2.68Å
214D76.6Confident80.2Confident116 Ų11676 Ų7662%0.6240%0.397SS*.G310 helixtrans-77.9-20.8-172.8-61.5-30.9000112.8E212E212-D214 PolarHBondContact O-N 3.41Å; E212-D214 VanDerWaalsContact O-N 3.13Å
215E75.7Confident79.9Confident135 Ų13574.4 Ų74.463%0.63139%0.389SS*.G310 helixtrans-97.72.4177-66176.3170.500112.4H211 E212 K213 D217H211-E215 HydrophobicContact CB-CB 4Å; E212-E215 PolarHBondContact O-N 3.35Å; E212-E215 VanDerWaalsContact O-N 3.11Å; K213-E215 VanDerWaalsContact C-N 3.33Å; E215-D217 PolarHBondContact O-N 2.96Å
216C80.8Confident79.6Confident1 Ų172.2 Ų72.21%0.00738%0.382CS..  trans-76115.9-174-171.40000112.3C203 L205 H211 E212 K213 K218 M219C203-C216 WeakPolarHBondContact SG-CB 3.32Å; C203-C216 PolarHBondContact SG-SG 3.35Å; L205-C216 HydrophobicContact CD1-CB 4.19Å; H211-C216 WeakPolarHBondContact CD2-CA 3.24Å; H211-C216 PolarHBondContact NE2-SG 3.15Å; E212-C216 PolarHBondContact O-N 3.45Å; K213-C216 WeakPolarHBondContact O-CB 3.35Å; K213-C216 PolarHBondContact O-N 2.68Å; C216-K218 PolarHBondContact O-N 2.87Å; C216-K218 PolarHBondContact SG-N 3.2Å; C216-M219 HydrophobicContact CB-CB 4.41Å; C216-M219 WeakPolarHBondContact O-CB 3.28Å; C216-M219 WeakPolarHBondContact O-CG 3.44Å; C216-M219 PolarHBondContact O-N 3.24Å
217D80.4Confident79.6Confident135 Ų13572.2 Ų72.272%0.72238%0.381SS*.THydrogen-bonded Turntrans-58-23170.8-77.9-16000113.4E215 M219E215-D217 PolarHBondContact O-N 2.96Å; D217-M219 VanDerWaalsContact C-N 3.33Å
218K77.4Confident79.4Confident92 Ų9271.5 Ų71.540%0.437%0.374SS..THydrogen-bonded Turntrans-90.27.4176.5-50.4-172.9-163147.60112.8C206 E208 C216 Y220C206-K218 HydrophobicContact CB-CB 4.23Å; C206-K218 HydrophobicContact CB-CD 3.58Å; C206-K218 HydrophobicContact CB-CG 4.22Å; E208-K218 IonicContact OE1-NZ 3.31Å; E208-K218 PolarHBondContact OE1-NZ 3.33Å; E208-K218 WeakPolarHBondContact OE2-CE 3.41Å; E208-K218 IonicContact OE2-NZ 3.47Å; E208-K218 PolarHBondContact OE2-NZ 3.23Å; C216-K218 PolarHBondContact O-N 2.87Å; C216-K218 PolarHBondContact SG-N 3.2Å; K218-Y220 WeakPolarHBondContact O-CD2 3.32Å; K218-Y220 WeakPolarHBondContact O-CE2 3.45Å
219M80.8Confident79.5Confident30 Ų3068.8 Ų68.815%0.14836%0.361CS..  trans-62.5140.6173.474.4172.7138.200110.8L205 C216 D217 P227 G228 T230L205-M219 HydrophobicContact CD1-CB 3.83Å; C216-M219 HydrophobicContact CB-CB 4.41Å; C216-M219 WeakPolarHBondContact O-CB 3.28Å; C216-M219 WeakPolarHBondContact O-CG 3.44Å; C216-M219 PolarHBondContact O-N 3.24Å; D217-M219 VanDerWaalsContact C-N 3.33Å; M219-P227 CarbonylContact O-C 3.5Å; M219-P227 WeakPolarHBondContact O-CA 3.46Å; M219-G228 PolarHBondContact O-N 3Å; M219-T230 HydrophobicContact SD-CG2 3.82Å
220Y81.8Confident79.5Confident133 Ų13364.8 Ų64.852%0.52235%0.346SS..BIsolated β-bridgetrans-109.6134.6173.9-66.3-93.6000110.3K218 Y222 P227 A414K218-Y220 WeakPolarHBondContact O-CD2 3.32Å; K218-Y220 WeakPolarHBondContact O-CE2 3.45Å; Y220-Y222 PolarHBondContact O-N 3.12Å; Y220-P227 HydrophobicContact CD1-CB 3.98Å; Y220-P227 HydrophobicContact CE1-CB 3.88Å; Y220-P227 HydrophobicContact CE1-CG 4.28Å; Y220-A414 HydrophobicContact CE1-CB 4.14Å
221C81.9Confident79.5Confident0 Ų064.2 Ų64.20%033%0.325CS..  trans-66.3117.1174.9178.50000110.5A223 C224 L225 A226 H229 C234C221-A223 PolarHBondContact O-N 3.23Å; C221-A223 VanDerWaalsContact SG-CB 3.57Å; C221-A223 PolarHBondContact SG-N 3.08Å; C221-C224 PolarHBondContact O-N 3.28Å; C221-L225 WeakPolarHBondContact O-CA 3.28Å; C221-L225 PolarHBondContact O-N 3.13Å; C221-A226 WeakPolarHBondContact CB-O 3.5Å; C221-A226 PolarHBondContact N-O 2.92Å; C221-H229 WeakPolarHBondContact CA-O 3.37Å; C221-H229 VanDerWaalsContact CB-CE1 3.45Å; C221-H229 WeakPolarHBondContact CB-CE1 3.45Å; C221-H229 VanDerWaalsContact CB-NE2 3.29Å; C221-H229 WeakPolarHBondContact CB-NE2 3.49Å; C221-H229 WeakPolarHBondContact CB-O 3.42Å; C221-H229 PolarHBondContact N-O 3.29Å; C221-H229 PolarHBondContact SG-NE2 2.87Å; C221-C234 VanDerWaalsContact SG-CB 3.57Å; C221-C234 VanDerWaalsContact SG-SG 3.66Å
222Y77.2Confident79.3Confident134 Ų13470 Ų7053%0.52535%0.352SS..THydrogen-bonded Turntrans-61.1-14.5177.3-56.8-70.5000114.1Y220Y220-Y222 PolarHBondContact O-N 3.12Å
223A77.8Confident79.2Confident11 Ų1171.3 Ų71.39%0.09136%0.358CS..THydrogen-bonded Turntrans-83.5-57177.200000112.7C221 K231 C234 L237 L240 I309C221-A223 PolarHBondContact O-N 3.23Å; C221-A223 VanDerWaalsContact SG-CB 3.57Å; C221-A223 PolarHBondContact SG-N 3.08Å; A223-K231 HydrophobicContact CB-CG 4.45Å; A223-C234 HydrophobicContact CB-CB 4.29Å; A223-L237 HydrophobicContact CB-CD1 3.94Å; A223-L240 HydrophobicContact CB-CD1 4.25Å; A223-L240 WeakPolarHBondContact O-CD1 3.36Å; A223-I309 VanDerWaalsContact CA-CD1 3.47Å; A223-I309 HydrophobicContact CB-CD1 3.38Å
224C78.8Confident79.4Confident30 Ų3068 Ų6820%0.20334%0.344CS..THydrogen-bonded Turntrans-108.8-3.4-171.669.60000114C221 A226 H229 C234 L236 L240C221-C224 PolarHBondContact O-N 3.28Å; C224-A226 PolarHBondContact O-N 3.3Å; C224-A226 VanDerWaalsContact O-N 3.16Å; C224-H229 PolarHBondContact SG-CE1 2.79Å; C224-H229 PolarHBondContact SG-NE2 3.2Å; C224-C234 VanDerWaalsContact SG-SG 3.62Å; C224-L236 HydrophobicContact CB-CB 4.19Å; C224-L236 HydrophobicContact CB-CD1 3.71Å; C224-L240 HydrophobicContact CB-CD1 4.01Å
225L77.5Confident79.7Confident104 Ų10471.2 Ų71.255%0.54536%0.355SS..  trans59.318.6-177.7-51.6175.2000114.1C221C221-L225 WeakPolarHBondContact O-CA 3.28Å; C221-L225 PolarHBondContact O-N 3.13Å
226A76.1Confident80Confident28 Ų2869.4 Ų69.423%0.23135%0.349CS..  trans-91143.3172.400000110.6C221 C224C221-A226 WeakPolarHBondContact CB-O 3.5Å; C221-A226 PolarHBondContact N-O 2.92Å; C224-A226 PolarHBondContact O-N 3.3Å; C224-A226 VanDerWaalsContact O-N 3.16Å
227P81.2Confident80.1Confident31 Ų3170.5 Ų70.520%0.20136%0.355CS..BIsolated β-bridgetrans-72.3160.9-178.729.4-34.7000112.9M219 Y220M219-P227 CarbonylContact O-C 3.5Å; M219-P227 WeakPolarHBondContact O-CA 3.46Å; Y220-P227 HydrophobicContact CD1-CB 3.98Å; Y220-P227 HydrophobicContact CE1-CB 3.88Å; Y220-P227 HydrophobicContact CE1-CG 4.28Å
228G78.8Confident80.1Confident43 Ų4372.3 Ų72.344%0.44336%0.357SS..SBendtrans84.514.516500000116.7M219M219-G228 PolarHBondContact O-N 3Å
229H82Confident80.4Confident38 Ų3871.5 Ų71.518%0.17636%0.363CS..  trans-155.1156.8172.868.5-76.5000112C221 C224 E233 C234C221-H229 WeakPolarHBondContact CA-O 3.37Å; C221-H229 VanDerWaalsContact CB-CE1 3.45Å; C221-H229 WeakPolarHBondContact CB-CE1 3.45Å; C221-H229 VanDerWaalsContact CB-NE2 3.29Å; C221-H229 WeakPolarHBondContact CB-NE2 3.49Å; C221-H229 WeakPolarHBondContact CB-O 3.42Å; C221-H229 PolarHBondContact N-O 3.29Å; C221-H229 PolarHBondContact SG-NE2 2.87Å; C224-H229 PolarHBondContact SG-CE1 2.79Å; C224-H229 PolarHBondContact SG-NE2 3.2Å; H229-E233 HydrophobicContact CB-CB 4.09Å; H229-C234 VanDerWaalsContact CD2-CA 3.49Å; H229-C234 WeakPolarHBondContact CD2-CA 3.29Å; H229-C234 WeakPolarHBondContact NE2-CB 3.49Å; H229-C234 PolarHBondContact NE2-SG 3.17Å; H229-C234 VanDerWaalsContact NE2-SG 3.4Å
230T81.6Confident80.5Confident42 Ų4271.6 Ų71.626%0.25836%0.364SS..  trans-84.2171.9177.7680000112.2M219 H232 E233 C234M219-T230 HydrophobicContact SD-CG2 3.82Å; T230-H232 PolarHBondContact O-N 3.07Å; T230-H232 PolarHBondContact OG1-N 2.85Å; T230-E233 PolarHBondContact N-OE2 2.88Å; T230-E233 PolarHBondContact O-N 3.03Å; T230-E233 PolarHBondContact OG1-OE2 3.14Å; T230-C234 PolarHBondContact O-N 3.43Å
231K78.5Confident80.5Confident51 Ų5170.7 Ų70.722%0.22236%0.362CS..THydrogen-bonded Turntrans-56.9-33173.6180177.2177.8177.20112.1A223 C234 L237 H307A223-K231 HydrophobicContact CB-CG 4.45Å; K231-C234 WeakPolarHBondContact O-CB 3.45Å; K231-C234 PolarHBondContact O-N 2.95Å; K231-L237 HydrophobicContact CG-CD1 4.28Å; K231-L237 HydrophobicContact CG-CD2 4.31Å; K231-H307 PolarHBondContact NZ-O 2.82Å
232H77.9Confident80.5Confident155 Ų15579.1 Ų79.172%0.71840%0.399SS*.THydrogen-bonded Turntrans-73.1-34.9-176-61-82.6000112.2T230 C234T230-H232 PolarHBondContact O-N 3.07Å; T230-H232 PolarHBondContact OG1-N 2.85Å; H232-C234 VanDerWaalsContact C-N 3.3Å
233E80.2Confident80.8Confident110 Ų11074.3 Ų74.351%0.51439%0.385SS..THydrogen-bonded Turntrans-84.9-4.7179-65.7162164.900112.9H229 T230 H235H229-E233 HydrophobicContact CB-CB 4.09Å; T230-E233 PolarHBondContact N-OE2 2.88Å; T230-E233 PolarHBondContact O-N 3.03Å; T230-E233 PolarHBondContact OG1-OE2 3.14Å; E233-H235 PolarHBondContact O-N 2.98Å
234C83.3Confident81.2Confident8 Ų878.9 Ų78.95%0.05441%0.407CS..  trans-72.5105.3-174.6-171.40000112.1C221 A223 C224 H229 T230 K231 H232 L236 L237C221-C234 VanDerWaalsContact SG-CB 3.57Å; C221-C234 VanDerWaalsContact SG-SG 3.66Å; A223-C234 HydrophobicContact CB-CB 4.29Å; C224-C234 VanDerWaalsContact SG-SG 3.62Å; H229-C234 VanDerWaalsContact CD2-CA 3.49Å; H229-C234 WeakPolarHBondContact CD2-CA 3.29Å; H229-C234 WeakPolarHBondContact NE2-CB 3.49Å; H229-C234 PolarHBondContact NE2-SG 3.17Å; H229-C234 VanDerWaalsContact NE2-SG 3.4Å; T230-C234 PolarHBondContact O-N 3.43Å; K231-C234 WeakPolarHBondContact O-CB 3.45Å; K231-C234 PolarHBondContact O-N 2.95Å; H232-C234 VanDerWaalsContact C-N 3.3Å; C234-L236 PolarHBondContact O-N 3.49Å; C234-L236 VanDerWaalsContact O-N 3.17Å; C234-L237 HydrophobicContact CB-CB 4.11Å; C234-L237 WeakPolarHBondContact O-CB 3.4Å; C234-L237 PolarHBondContact O-N 3.47Å
235H83.7Confident81.5Confident184 Ų18477.5 Ų77.585%0.85240%0.398SS*.THydrogen-bonded Turntrans-58.5-28.6173.2-58.7-53.8000113.1E233 L237E233-H235 PolarHBondContact O-N 2.98Å; H235-L237 VanDerWaalsContact C-N 3.3Å; H235-L237 PolarHBondContact O-N 3.48Å
236L82.4Confident81.9Confident97 Ų9781.1 Ų81.151%0.50841%0.412SS..THydrogen-bonded Turntrans-76.1-15.8178.4-62.2175.6000112.9C224 C234 K238 S239 L240C224-L236 HydrophobicContact CB-CB 4.19Å; C224-L236 HydrophobicContact CB-CD1 3.71Å; C234-L236 PolarHBondContact O-N 3.49Å; C234-L236 VanDerWaalsContact O-N 3.17Å; L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.39Å; L236-S239 CarbonylContact O-C 3.39Å; L236-S239 WeakPolarHBondContact O-CA 3.28Å; L236-S239 WeakPolarHBondContact O-CB 3.43Å; L236-S239 PolarHBondContact O-N 3.03Å; L236-L240 HydrophobicContact CB-CD1 4.03Å; L236-L240 HydrophobicContact CB-CG 4.35Å; L236-L240 WeakPolarHBondContact O-CB 3.35Å; L236-L240 WeakPolarHBondContact O-CG 3.41Å; L236-L240 PolarHBondContact O-N 3.37Å
237L82Confident82.2Confident25 Ų2581.7 Ų81.713%0.13141%0.408CS..Hα-helixtrans-56.2-43.2-175.6-177.565.6000112.4A223 K231 C234 H235 S239 L240 K241 I309A223-L237 HydrophobicContact CB-CD1 3.94Å; K231-L237 HydrophobicContact CG-CD1 4.28Å; K231-L237 HydrophobicContact CG-CD2 4.31Å; C234-L237 HydrophobicContact CB-CB 4.11Å; C234-L237 WeakPolarHBondContact O-CB 3.4Å; C234-L237 PolarHBondContact O-N 3.47Å; H235-L237 VanDerWaalsContact C-N 3.3Å; H235-L237 PolarHBondContact O-N 3.48Å; L237-S239 VanDerWaalsContact C-N 3.31Å; L237-S239 PolarHBondContact O-N 2.88Å; L237-L240 PolarHBondContact O-N 2.93Å; L237-K241 HydrophobicContact CD1-CG 4.46Å; L237-K241 HydrophobicContact CG-CD 4.31Å; L237-K241 WeakPolarHBondContact O-CB 3.25Å; L237-K241 VanDerWaalsContact O-CG 3.29Å; L237-K241 WeakPolarHBondContact O-CG 3.36Å; L237-K241 PolarHBondContact O-N 3.41Å; L237-I309 HydrophobicContact CD1-CD1 3.45Å; L237-I309 VanDerWaalsContact CD1-CD1 3.45Å; L237-I309 HydrophobicContact CD1-CG1 3.95Å
238K81.5Confident82.4Confident173 Ų17380.4 Ų80.475%0.75240%0.4SS*.Hα-helixtrans-64.2-37178-69.5-179.1-178174.90112L236 K242L236-K238 VanDerWaalsContact C-N 3.31Å; L236-K238 PolarHBondContact O-N 3.39Å; K238-K242 WeakPolarHBondContact O-CG 3.19Å
239S82.6Confident82.6Confident75 Ų7580.6 Ų80.652%0.52440%0.402SS..Hα-helixtrans-71.9-46.7177.2-173.30000111.1L236 L237 K241 K242 S243L236-S239 CarbonylContact O-C 3.39Å; L236-S239 WeakPolarHBondContact O-CA 3.28Å; L236-S239 WeakPolarHBondContact O-CB 3.43Å; L236-S239 PolarHBondContact O-N 3.03Å; L237-S239 VanDerWaalsContact C-N 3.31Å; L237-S239 PolarHBondContact O-N 2.88Å; S239-K241 PolarHBondContact O-N 3.2Å; S239-K242 CarbonylContact O-C 3.58Å; S239-K242 WeakPolarHBondContact O-CA 3.24Å; S239-K242 PolarHBondContact O-N 2.87Å; S239-S243 PolarHBondContact O-N 3.09Å
240L82.9Confident82.6Confident32 Ų3279.6 Ų79.617%0.16840%0.397CS..Hα-helixtrans-61.7-41.4179.9-69.7167.5000112A223 C224 L236 L237 K242 S243 G252 I309A223-L240 HydrophobicContact CB-CD1 4.25Å; A223-L240 WeakPolarHBondContact O-CD1 3.36Å; C224-L240 HydrophobicContact CB-CD1 4.01Å; L236-L240 HydrophobicContact CB-CD1 4.03Å; L236-L240 HydrophobicContact CB-CG 4.35Å; L236-L240 WeakPolarHBondContact O-CB 3.35Å; L236-L240 WeakPolarHBondContact O-CG 3.41Å; L236-L240 PolarHBondContact O-N 3.37Å; L237-L240 PolarHBondContact O-N 2.93Å; L240-K242 PolarHBondContact O-N 2.92Å; L240-S243 WeakPolarHBondContact CA-OG 3.47Å; L240-S243 PolarHBondContact O-N 3.32Å; L240-S243 VanDerWaalsContact O-N 3.16Å; L240-S243 PolarHBondContact O-OG 2.95Å; L240-G252 VanDerWaalsContact O-CA 3.23Å; L240-G252 WeakPolarHBondContact O-CA 3.45Å; L240-G252 PolarHBondContact O-N 3.4Å; L240-G252 VanDerWaalsContact O-N 3.14Å; L240-I309 HydrophobicContact CB-CD1 4.3Å; L240-I309 HydrophobicContact CD1-CD1 4.32Å
241K82Confident82.7Confident113 Ų11381.8 Ų81.849%0.49140%0.404SS..Hα-helixtrans-59.1-29.6173.6-77178.2177.8-176.90113.3L237 S239 I309L237-K241 HydrophobicContact CD1-CG 4.46Å; L237-K241 HydrophobicContact CG-CD 4.31Å; L237-K241 WeakPolarHBondContact O-CB 3.25Å; L237-K241 VanDerWaalsContact O-CG 3.29Å; L237-K241 WeakPolarHBondContact O-CG 3.36Å; L237-K241 PolarHBondContact O-N 3.41Å; S239-K241 PolarHBondContact O-N 3.2Å; K241-I309 HydrophobicContact CG-CG2 3.9Å
242K82.3Confident82.9Confident177 Ų17780 Ų8077%0.7740%0.4SS*.Hα-helixtrans-89.9-25177.1-67.6179.7-179.1-175.80112.8K238 S239 L240K238-K242 WeakPolarHBondContact O-CG 3.19Å; S239-K242 CarbonylContact O-C 3.58Å; S239-K242 WeakPolarHBondContact O-CA 3.24Å; S239-K242 PolarHBondContact O-N 2.87Å; L240-K242 PolarHBondContact O-N 2.92Å
243S83.6Confident83.2Confident33 Ų3374 Ų7423%0.23137%0.372CS..  trans-67.3132.4178.671.60000110.5S239 L240 Q251 G252S239-S243 PolarHBondContact O-N 3.09Å; L240-S243 WeakPolarHBondContact CA-OG 3.47Å; L240-S243 PolarHBondContact O-N 3.32Å; L240-S243 VanDerWaalsContact O-N 3.16Å; L240-S243 PolarHBondContact O-OG 2.95Å; S243-Q251 VanDerWaalsContact O-CA 3.28Å; S243-Q251 WeakPolarHBondContact O-CA 3.46Å; S243-G252 PolarHBondContact O-N 3.16Å
244I85.5Confident83.3Confident108 Ų10872.4 Ų72.455%0.55437%0.367SS*.BIsolated β-bridgetrans-117.9127.1174.2-61.7171.4000106.4E246 Q251I244-E246 PolarHBondContact O-N 2.97Å; I244-Q251 HydrophobicContact CG1-CG 4.07Å
245C86.3Confident83.3Confident1 Ų174.1 Ų74.11%0.00738%0.379CS..  trans-66.8125.7177.5179.20000110.5R247 C248 G249 Q250 H253 C258C245-R247 PolarHBondContact O-N 3.29Å; C245-R247 PolarHBondContact SG-N 3.41Å; C245-C248 VanDerWaalsContact SG-SG 3.66Å; C245-G249 WeakPolarHBondContact O-CA 3.23Å; C245-G249 PolarHBondContact O-N 3.19Å; C245-Q250 WeakPolarHBondContact CB-O 3.5Å; C245-Q250 PolarHBondContact N-O 3Å; C245-H253 WeakPolarHBondContact CB-NE2 3.48Å; C245-H253 PolarHBondContact SG-NE2 2.87Å; C245-H253 VanDerWaalsContact SG-NE2 3.43Å; C245-C258 VanDerWaalsContact SG-SG 3.63Å
246E85Confident83.2Confident180 Ų18068.7 Ų68.784%0.84136%0.359SS*.THydrogen-bonded Turntrans-67.6-19.7178.9-63.6-179.5165.400113.5I244I244-E246 PolarHBondContact O-N 2.97Å
247R83.4Confident83Confident39 Ų3968.5 Ų68.515%0.14736%0.358CS..THydrogen-bonded Turntrans-82.8-60.9178.4-68.9-174.163.3136.21.6112.4C245 V319 D321C245-R247 PolarHBondContact O-N 3.29Å; C245-R247 PolarHBondContact SG-N 3.41Å; R247-V319 PolarHBondContact NH2-O 3.21Å; R247-V319 VanDerWaalsContact NH2-O 3.14Å; R247-D321 IonicContact CZ-OD1 2.83Å; R247-D321 IonicContact CZ-OD2 3.95Å; R247-D321 VanDerWaalsContact CZ-OD2 3.25Å; R247-D321 IonicContact NH1-OD1 2.67Å; R247-D321 PolarHBondContact NH1-OD1 3.38Å; R247-D321 IonicContact NH1-OD2 2.65Å; R247-D321 PolarHBondContact NH1-OD2 2.88Å; R247-D321 IonicContact NH2-OD1 2.75Å; R247-D321 PolarHBondContact NH2-OD1 3.28Å; R247-D321 IonicContact NH2-OD2 2.85Å; R247-D321 PolarHBondContact NH2-OD2 3.41Å
248C84.6Confident83.2Confident5 Ų567.4 Ų67.43%0.03435%0.352CS..THydrogen-bonded Turntrans-99-12.7-172.570.40000113.8C245 Q250 H253 C258 E260 R314 L318C245-C248 VanDerWaalsContact SG-SG 3.66Å; C248-Q250 HydrophobicContact CB-CG 4.49Å; C248-Q250 PolarHBondContact O-N 3.34Å; C248-Q250 VanDerWaalsContact SG-CB 3.58Å; C248-Q250 PolarHBondContact SG-N 3.33Å; C248-Q250 VanDerWaalsContact SG-N 3.38Å; C248-H253 VanDerWaalsContact SG-CE1 3.5Å; C248-H253 PolarHBondContact SG-NE2 2.8Å; C248-C258 VanDerWaalsContact SG-SG 3.66Å; C248-E260 HydrophobicContact CB-CG 3.99Å; C248-E260 WeakPolarHBondContact CB-OE1 3.37Å; C248-R314 PolarHBondContact O-NH1 2.91Å; C248-L318 WeakPolarHBondContact O-CD1 3.3Å
249G83.3Confident83.3Confident47 Ų4761.2 Ų61.249%0.48533%0.329SS..  trans73.47.7-17600000115C245C245-G249 WeakPolarHBondContact O-CA 3.23Å; C245-G249 PolarHBondContact O-N 3.19Å
250Q82.3Confident83.4Confident16 Ų1657.9 Ų57.98%0.07531%0.305CS..  trans-83.3152.5177.3-61.9-171.1-45.900111.8C245 C248 P311 L312C245-Q250 WeakPolarHBondContact CB-O 3.5Å; C245-Q250 PolarHBondContact N-O 3Å; C248-Q250 HydrophobicContact CB-CG 4.49Å; C248-Q250 PolarHBondContact O-N 3.34Å; C248-Q250 VanDerWaalsContact SG-CB 3.58Å; C248-Q250 PolarHBondContact SG-N 3.33Å; C248-Q250 VanDerWaalsContact SG-N 3.38Å; Q250-P311 HydrophobicContact CG-CG 4.45Å; Q250-L312 PolarHBondContact NE2-O 2.88Å
251Q84.4Confident83.5Confident89 Ų8957.3 Ų57.342%0.41630%0.302SS..BIsolated β-bridgetrans-80.1162.1176-71.4176.5-29.100111.8S243 I244S243-Q251 VanDerWaalsContact O-CA 3.28Å; S243-Q251 WeakPolarHBondContact O-CA 3.46Å; I244-Q251 HydrophobicContact CG1-CG 4.07Å
252G82.6Confident83.6Confident12 Ų1258.2 Ų58.212%0.12430%0.303CS..SBendtrans92.6-3.5168.300000116.1L240 S243L240-G252 VanDerWaalsContact O-CA 3.23Å; L240-G252 WeakPolarHBondContact O-CA 3.45Å; L240-G252 PolarHBondContact O-N 3.4Å; L240-G252 VanDerWaalsContact O-N 3.14Å; S243-G252 PolarHBondContact O-N 3.16Å
253H83.5Confident83.7Confident30 Ų3052.9 Ų52.914%0.13928%0.278CS..  trans-151.5160.4178.266.5-85.9000112.8C245 C248 C258C245-H253 WeakPolarHBondContact CB-NE2 3.48Å; C245-H253 PolarHBondContact SG-NE2 2.87Å; C245-H253 VanDerWaalsContact SG-NE2 3.43Å; C248-H253 VanDerWaalsContact SG-CE1 3.5Å; C248-H253 PolarHBondContact SG-NE2 2.8Å; H253-C258 VanDerWaalsContact CD2-CA 3.43Å; H253-C258 WeakPolarHBondContact CD2-CA 3.41Å; H253-C258 PolarHBondContact NE2-SG 3.48Å
254N82.7Confident83.8Confident76 Ų7651.4 Ų51.441%0.40627%0.267SS..  trans-91.9167.9174.4671.7000111.7T256 L257 C258N254-T256 PolarHBondContact ND2-OG1 3.42Å; N254-T256 PolarHBondContact O-N 3.19Å; N254-T256 PolarHBondContact OD1-OG1 3.38Å; N254-L257 PolarHBondContact O-N 3.48Å; N254-L257 VanDerWaalsContact O-N 3.13Å; N254-L257 WeakPolarHBondContact OD1-CB 3.39Å; N254-L257 WeakPolarHBondContact OD1-CD1 3.38Å; N254-L257 WeakPolarHBondContact OD1-CG 3.49Å; N254-L257 PolarHBondContact OD1-N 3.32Å; N254-C258 PolarHBondContact O-N 3.12Å
255S83.7Confident83.8Confident44 Ų4448 Ų4831%0.30825%0.248SC..G310 helixtrans-59.2-28.9-178.551.90000114C258 L261S255-C258 WeakPolarHBondContact O-CB 3.2Å; S255-L261 WeakPolarHBondContact O-CD1 3.43Å
256T80.6Confident83.6Confident70 Ų7057.7 Ų57.743%0.42928%0.284SS..G310 helixtrans-77.1-23.517957.70000114N254 L261N254-T256 PolarHBondContact ND2-OG1 3.42Å; N254-T256 PolarHBondContact O-N 3.19Å; N254-T256 PolarHBondContact OD1-OG1 3.38Å; T256-L261 WeakPolarHBondContact O-CD1 3.26Å
257L79.2Confident83.3Confident94 Ų9452 Ų5249%0.49226%0.259SS..G310 helixtrans-10412.3176.3-61.1173.2000111.6N254 T259N254-L257 PolarHBondContact O-N 3.48Å; N254-L257 VanDerWaalsContact O-N 3.13Å; N254-L257 WeakPolarHBondContact OD1-CB 3.39Å; N254-L257 WeakPolarHBondContact OD1-CD1 3.38Å; N254-L257 WeakPolarHBondContact OD1-CG 3.49Å; N254-L257 PolarHBondContact OD1-N 3.32Å; L257-T259 PolarHBondContact O-N 2.87Å
258C84.5Confident83.1Confident1 Ų151.7 Ų51.71%0.00726%0.262CS..  trans-65.6127.2-179.8-170.50000110.9C245 C248 H253 N254 S255 E260 L261C245-C258 VanDerWaalsContact SG-SG 3.63Å; C248-C258 VanDerWaalsContact SG-SG 3.66Å; H253-C258 VanDerWaalsContact CD2-CA 3.43Å; H253-C258 WeakPolarHBondContact CD2-CA 3.41Å; H253-C258 PolarHBondContact NE2-SG 3.48Å; N254-C258 PolarHBondContact O-N 3.12Å; S255-C258 WeakPolarHBondContact O-CB 3.2Å; C258-E260 PolarHBondContact O-N 3.36Å; C258-E260 VanDerWaalsContact O-N 3.12Å; C258-L261 HydrophobicContact CB-CD1 4.5Å; C258-L261 VanDerWaalsContact O-CB 3.24Å; C258-L261 WeakPolarHBondContact O-CB 3.46Å; C258-L261 PolarHBondContact O-N 3.06Å
259T84.4Confident82.7Confident43 Ų4358.2 Ų58.226%0.26430%0.302SS..THydrogen-bonded Turntrans-64.5-18.3178.6680000112.9L257 L261 W262 R263L257-T259 PolarHBondContact O-N 2.87Å; T259-L261 PolarHBondContact O-N 2.89Å; T259-W262 PolarHBondContact O-NE1 3.19Å; T259-R263 WeakPolarHBondContact O-CB 3.46Å; T259-R263 WeakPolarHBondContact O-CG 3.41Å; T259-R263 PolarHBondContact O-N 3.28Å; T259-R263 PolarHBondContact OG1-NE 3.16Å
260E84.9Confident82.4Confident5 Ų559.5 Ų59.52%0.02330%0.304CS..Hα-helixtrans-61.6-26.6171.8-66.2-169.3168.200113.1C248 C258 W262 R263 Q264 V317 L318C248-E260 HydrophobicContact CB-CG 3.99Å; C248-E260 WeakPolarHBondContact CB-OE1 3.37Å; C258-E260 PolarHBondContact O-N 3.36Å; C258-E260 VanDerWaalsContact O-N 3.12Å; E260-W262 VanDerWaalsContact C-N 3.34Å; E260-W262 PolarHBondContact O-N 2.9Å; E260-R263 PolarHBondContact O-N 3.09Å; E260-Q264 PolarHBondContact O-N 3.37Å; E260-Q264 VanDerWaalsContact O-N 3.15Å; E260-V317 HydrophobicContact CB-CG1 4.38Å; E260-L318 WeakPolarHBondContact OE1-CB 3.38Å; E260-L318 WeakPolarHBondContact OE1-CG 3.31Å; E260-L318 PolarHBondContact OE1-N 2.87Å; E260-L318 VanDerWaalsContact OE1-N 3.09Å
261L84.6Confident82.1Confident21 Ų2166.6 Ų66.611%0.1134%0.34CS..Hα-helixtrans-58.3-42-178.4-82.5165.3000113.3S255 T256 C258 T259 Q264 Y265 I325S255-L261 WeakPolarHBondContact O-CD1 3.43Å; T256-L261 WeakPolarHBondContact O-CD1 3.26Å; C258-L261 HydrophobicContact CB-CD1 4.5Å; C258-L261 VanDerWaalsContact O-CB 3.24Å; C258-L261 WeakPolarHBondContact O-CB 3.46Å; C258-L261 PolarHBondContact O-N 3.06Å; T259-L261 PolarHBondContact O-N 2.89Å; L261-Q264 WeakPolarHBondContact O-CG 3.46Å; L261-Q264 PolarHBondContact O-NE2 2.95Å; L261-Y265 VanDerWaalsContact O-CD2 3.24Å; L261-Y265 WeakPolarHBondContact O-CD2 3.45Å; L261-Y265 WeakPolarHBondContact O-CE2 3.33Å; L261-I325 HydrophobicContact CD2-CD1 3.59Å
262W83.9Confident81.7Confident131 Ų13163.5 Ų63.550%0.49633%0.333SS..Hα-helixtrans-92.1-32.2177.860.4-99.5000111.5T259 E260 Q264 Y265T259-W262 PolarHBondContact O-NE1 3.19Å; E260-W262 VanDerWaalsContact C-N 3.34Å; E260-W262 PolarHBondContact O-N 2.9Å; W262-Q264 VanDerWaalsContact C-N 3.28Å; W262-Q264 PolarHBondContact O-N 3.18Å; W262-Y265 PolarHBondContact O-N 3.21Å; W262-Y265 VanDerWaalsContact O-N 3.08Å
263R84.8Confident81.5Confident65 Ų6572 Ų7225%0.24536%0.361CS..Hα-helixtrans-61-33.2-179.5-73.9174.9-170.2-72.9-0.8113.2T259 E260 Y265 R266 V317T259-R263 WeakPolarHBondContact O-CB 3.46Å; T259-R263 WeakPolarHBondContact O-CG 3.41Å; T259-R263 PolarHBondContact O-N 3.28Å; T259-R263 PolarHBondContact OG1-NE 3.16Å; E260-R263 PolarHBondContact O-N 3.09Å; R263-Y265 PolarHBondContact O-N 2.93Å; R263-R266 VanDerWaalsContact O-CB 3.23Å; R263-R266 WeakPolarHBondContact O-CB 3.47Å; R263-R266 PolarHBondContact O-N 2.88Å; R263-R266 VanDerWaalsContact O-N 3.12Å; R263-V317 HydrophobicContact CB-CG2 3.55Å
264Q85.5Confident81.4Confident2 Ų271.1 Ų71.11%0.00936%0.358CS..THydrogen-bonded Turntrans-63.5-21.4177.370-174.3-31.300114E260 L261 W262 P274 V317 Y320 D321E260-Q264 PolarHBondContact O-N 3.37Å; E260-Q264 VanDerWaalsContact O-N 3.15Å; L261-Q264 WeakPolarHBondContact O-CG 3.46Å; L261-Q264 PolarHBondContact O-NE2 2.95Å; W262-Q264 VanDerWaalsContact C-N 3.28Å; W262-Q264 PolarHBondContact O-N 3.18Å; Q264-P274 HydrophobicContact CB-CB 4.14Å; Q264-P274 HydrophobicContact CB-CG 4.42Å; Q264-P274 HydrophobicContact CG-CB 4.13Å; Q264-P274 HydrophobicContact CG-CG 3.9Å; Q264-V317 HydrophobicContact CB-CG1 4.12Å; Q264-Y320 HydrophobicContact CB-CD1 3.72Å; Q264-Y320 HydrophobicContact CB-CE1 3.86Å; Q264-D321 PolarHBondContact NE2-OD2 3.3Å; Q264-D321 PolarHBondContact OE1-OD2 2.8Å; Q264-D321 VanDerWaalsContact OE1-OD2 3.14Å
265Y85.1Confident81.1Confident36 Ų3670.1 Ų70.114%0.14135%0.352CS..THydrogen-bonded Turntrans-94.12.8178.5-66.2-87.8000112.8L261 W262 R263 N267 T268 P274 D324 I325 Y326L261-Y265 VanDerWaalsContact O-CD2 3.24Å; L261-Y265 WeakPolarHBondContact O-CD2 3.45Å; L261-Y265 WeakPolarHBondContact O-CE2 3.33Å; W262-Y265 PolarHBondContact O-N 3.21Å; W262-Y265 VanDerWaalsContact O-N 3.08Å; R263-Y265 PolarHBondContact O-N 2.93Å; Y265-N267 PolarHBondContact O-N 3.07Å; Y265-N267 VanDerWaalsContact O-N 3.12Å; Y265-T268 VanDerWaalsContact CA-OG1 3.3Å; Y265-T268 WeakPolarHBondContact CA-OG1 3.48Å; Y265-T268 WeakPolarHBondContact CB-OG1 3.5Å; Y265-T268 HydrophobicContact CD1-CG2 4.01Å; Y265-T268 PolarHBondContact O-N 2.77Å; Y265-T268 VanDerWaalsContact O-N 3.13Å; Y265-T268 PolarHBondContact O-OG1 3.43Å; Y265-P274 HydrophobicContact CD1-CG 4.49Å; Y265-P274 HydrophobicContact CE1-CG 4.04Å; Y265-P274 HydrophobicContact CE2-CG 4.33Å; Y265-D324 WeakPolarHBondContact OH-CA 3.15Å; Y265-D324 PolarHBondContact OH-OD1 3.27Å; Y265-I325 PolarHBondContact OH-N 3.43Å; Y265-Y326 HydrophobicContact CD2-CD2 4.11Å; Y265-Y326 AromaticContact CD2-CE2 3.61Å; Y265-Y326 HydrophobicContact CD2-CE2 3.61Å; Y265-Y326 HydrophobicContact CE1-CD2 4.16Å; Y265-Y326 AromaticContact CE2-CD2 3.58Å; Y265-Y326 HydrophobicContact CE2-CD2 3.58Å; Y265-Y326 AromaticContact CE2-CE2 3.36Å; Y265-Y326 HydrophobicContact CE2-CE2 3.36Å; Y265-Y326 HydrophobicContact CG-CE2 4.34Å; Y265-Y326 AromaticContact CZ-CD2 3.58Å; Y265-Y326 AromaticContact CZ-CE2 3.9Å
266R82.7Confident80.7Confident206 Ų20672.3 Ų72.378%0.77736%0.357SS*.THydrogen-bonded Turntrans-55.8-33.8-179.9-176.4179.9179.7-171.7-0.9112.6R263R263-R266 VanDerWaalsContact O-CB 3.23Å; R263-R266 WeakPolarHBondContact O-CB 3.47Å; R263-R266 PolarHBondContact O-N 2.88Å; R263-R266 VanDerWaalsContact O-N 3.12Å
267N78.3Confident80.2Confident59 Ų5972.8 Ų72.832%0.31636%0.357SS..THydrogen-bonded Turntrans-106.65.9-176.3-58.4-9.3000112.6Y265 T269 L277Y265-N267 PolarHBondContact O-N 3.07Å; Y265-N267 VanDerWaalsContact O-N 3.12Å; N267-T269 PolarHBondContact O-N 3.42Å; N267-L277 HydrophobicContact CB-CD1 3.83Å; N267-L277 HydrophobicContact CB-CG 4.06Å; N267-L277 WeakPolarHBondContact ND2-CD1 3.41Å
268T80.5Confident79.5Confident33 Ų3376.5 Ų76.520%0.20237%0.365CS..  trans-85.5108.5177.351.40000110.5Y265 P274 I275Y265-T268 VanDerWaalsContact CA-OG1 3.3Å; Y265-T268 WeakPolarHBondContact CA-OG1 3.48Å; Y265-T268 WeakPolarHBondContact CB-OG1 3.5Å; Y265-T268 HydrophobicContact CD1-CG2 4.01Å; Y265-T268 PolarHBondContact O-N 2.77Å; Y265-T268 VanDerWaalsContact O-N 3.13Å; Y265-T268 PolarHBondContact O-OG1 3.43Å; T268-P274 VanDerWaalsContact CG2-CA 3.49Å; T268-I275 HydrophobicContact CG2-CB 4.17Å; T268-I275 HydrophobicContact CG2-CG1 4.1Å
269T76.1Confident78.1Confident142 Ų14281.7 Ų81.787%0.87139%0.393SS*.  trans-91.9-25.4172.952.30000112.6N267N267-T269 PolarHBondContact O-N 3.42Å
270S75.6Confident76.8Confident75 Ų7588.5 Ų88.552%0.52442%0.42SS..SBendtrans-100.5147.2176.960.20000112.1G272S270-G272 PolarHBondContact O-N 3.42Å; S270-G272 VanDerWaalsContact O-N 3.15Å
271I76.7Confident75.6Confident164 Ų16493.7 Ų93.784%0.84145%0.451SS*.SBendtrans-63116.5174.9-60.5169.7000108.3
272G75.1Confident74.5Confident25 Ų25101.6 Ų101.626%0.25849%0.485SS..SBendtrans158-148.617700000114.5S270 D324S270-G272 PolarHBondContact O-N 3.42Å; S270-G272 VanDerWaalsContact O-N 3.15Å; G272-D324 WeakPolarHBondContact O-CB 3.21Å
273R80.2Confident73.4Confident190 Ų19097 Ų9772%0.71747%0.472SS*.SBendtrans-63.7147.7-179.666.7-174.7-179.4-143.30.4110.9I275R273-I275 PolarHBondContact O-N 3.26Å
274P80.6Confident72.7Confident12 Ų12103.4 Ų103.48%0.07850%0.502CS..  trans-48127.1166.8-28.135.9000112Q264 Y265 T268 Y320 D321Q264-P274 HydrophobicContact CB-CB 4.14Å; Q264-P274 HydrophobicContact CB-CG 4.42Å; Q264-P274 HydrophobicContact CG-CB 4.13Å; Q264-P274 HydrophobicContact CG-CG 3.9Å; Y265-P274 HydrophobicContact CD1-CG 4.49Å; Y265-P274 HydrophobicContact CE1-CG 4.04Å; Y265-P274 HydrophobicContact CE2-CG 4.33Å; T268-P274 VanDerWaalsContact CG2-CA 3.49Å; P274-Y320 HydrophobicContact CB-CD1 3.78Å; P274-D321 WeakPolarHBondContact CD-O 3.34Å
275I77Confident72.5Confident55 Ų55104.7 Ų104.728%0.28252%0.516SS..  trans-88.9113.6173.7-64.2173.6000106.9T268 R273 L277T268-I275 HydrophobicContact CG2-CB 4.17Å; T268-I275 HydrophobicContact CG2-CG1 4.1Å; R273-I275 PolarHBondContact O-N 3.26Å; I275-L277 HydrophobicContact CG2-CD2 4.02Å; I275-L277 HydrophobicContact CG2-CG 4.33Å; I275-L277 PolarHBondContact O-N 3Å
276Q75Confident72.5Confident90 Ų90103.1 Ų103.142%0.42151%0.51SS..  trans-82104172.2-176.7175.9-0.900108.3Y278 Y320Q276-Y278 HydrophobicContact CG-CE1 4.43Å; Q276-Y278 HydrophobicContact CG-CE2 4.21Å; Q276-Y278 VanDerWaalsContact NE2-CZ 3.31Å; Q276-Y278 PolarHBondContact NE2-OH 3.3Å; Q276-Y278 PolarHBondContact OE1-OH 3.17Å; Q276-Y320 HydrophobicContact CB-CD1 4.36Å; Q276-Y320 HydrophobicContact CB-CE1 4.3Å; Q276-Y320 HydrophobicContact CB-CE2 4.47Å; Q276-Y320 HydrophobicContact CB-CG 4.49Å; Q276-Y320 HydrophobicContact CG-CD2 4.24Å; Q276-Y320 HydrophobicContact CG-CE2 3.97Å
277L68.8Low72.5Confident79 Ų7996.8 Ų96.841%0.41450%0.497SS..  trans-83.6123.2163.5-63.3-177000107.9N267 I275 D279N267-L277 HydrophobicContact CB-CD1 3.83Å; N267-L277 HydrophobicContact CB-CG 4.06Å; N267-L277 WeakPolarHBondContact ND2-CD1 3.41Å; I275-L277 HydrophobicContact CG2-CD2 4.02Å; I275-L277 HydrophobicContact CG2-CG 4.33Å; I275-L277 PolarHBondContact O-N 3Å; L277-D279 HydrophobicContact CB-CB 4.46Å; L277-D279 PolarHBondContact O-N 2.67Å
278Y64.7Low72.7Confident172 Ų17295.2 Ų95.268%0.67549%0.488SS*.  trans-79.244.3167.7-65.1-86.1000110.1Q276 F280Q276-Y278 HydrophobicContact CG-CE1 4.43Å; Q276-Y278 HydrophobicContact CG-CE2 4.21Å; Q276-Y278 VanDerWaalsContact NE2-CZ 3.31Å; Q276-Y278 PolarHBondContact NE2-OH 3.3Å; Q276-Y278 PolarHBondContact OE1-OH 3.17Å; Y278-F280 PolarHBondContact O-N 3.46Å; Y278-F280 VanDerWaalsContact O-N 3.11Å
279D56.8Low73Confident111 Ų11195.3 Ų95.359%0.59449%0.49SS*.  trans-77.9106.9174.7-72.5-19.9000107.3L277 V281L277-D279 HydrophobicContact CB-CB 4.46Å; L277-D279 PolarHBondContact O-N 2.67Å; D279-V281 PolarHBondContact O-N 3.32Å
280F56.4Low73.4Confident186 Ų18691.4 Ų91.482%0.81648%0.478SS*.  trans-59.390.7161-61.5-85.4000106.7Y278 K282Y278-F280 PolarHBondContact O-N 3.46Å; Y278-F280 VanDerWaalsContact O-N 3.11Å; F280-K282 PolarHBondContact O-N 3.29Å
281V60.3Low73.9Confident113 Ų11393.4 Ų93.469%0.68548%0.479SS*.  trans-59.697.6169.4-179.70000105.6D279 S283D279-V281 PolarHBondContact O-N 3.32Å; V281-S283 PolarHBondContact O-N 3.49Å
282K60Low74.3Confident188 Ų18894 Ų9482%0.81748%0.475SS*.  trans-55.1109.6169.8-68.1-177.3-178.5178.50105F280 K284F280-K282 PolarHBondContact O-N 3.29Å; K282-K284 PolarHBondContact O-N 3.34Å
283S62.2Low74.8Confident34 Ų3496.2 Ų96.224%0.23850%0.499CS..  trans-64.7100.5-176.354.70000108.1V281 G285V281-S283 PolarHBondContact O-N 3.49Å; S283-G285 PolarHBondContact O-N 3.11Å; S283-G285 VanDerWaalsContact O-N 3.07Å
284K69.9Low75Confident199 Ų19989.2 Ų89.287%0.86547%0.474SS*.  trans-54.1-28.3177.7-68.1-172.1177.3-175.70111.4K282 K292K282-K284 PolarHBondContact O-N 3.34Å; K284-K292 WeakPolarHBondContact O-CG 3.31Å
285G81.2Confident75Confident30 Ų3089.5 Ų89.531%0.30948%0.476SS..  trans174169.316900000111.5S283 H291S283-G285 PolarHBondContact O-N 3.11Å; S283-G285 VanDerWaalsContact O-N 3.07Å; G285-H291 CarbonylContact C-O 3.54Å; G285-H291 WeakPolarHBondContact CA-O 3.36Å
286C85.4Confident75Confident3 Ų388.5 Ų88.52%0.0247%0.469CS..  trans-78.8126.1172.9176.50000110N288 C289 G290 H291 H294 C299C286-N288 PolarHBondContact O-N 3.33Å; C286-N288 VanDerWaalsContact SG-CB 3.53Å; C286-N288 PolarHBondContact SG-N 3.25Å; C286-C289 VanDerWaalsContact SG-SG 3.69Å; C286-G290 WeakPolarHBondContact O-CA 3.45Å; C286-G290 PolarHBondContact O-N 3.13Å; C286-H291 PolarHBondContact N-O 3.46Å; C286-H294 VanDerWaalsContact CB-NE2 3.26Å; C286-H294 WeakPolarHBondContact CB-NE2 3.42Å; C286-H294 PolarHBondContact N-O 3.35Å; C286-H294 PolarHBondContact SG-NE2 3.43Å; C286-H294 VanDerWaalsContact SG-NE2 3.38Å; C286-C299 VanDerWaalsContact SG-CB 3.51Å; C286-C299 PolarHBondContact SG-SG 3.12Å
287C81.2Confident75Confident72 Ų7287.4 Ų87.449%0.48646%0.464SS..THydrogen-bonded Turntrans-75.9-3.5175.961.10000114F296 L304C287-F296 VanDerWaalsContact SG-CB 3.53Å; C287-F296 WeakPolarHBondContact SG-CD2 3.37Å; C287-L304 WeakPolarHBondContact O-CD1 3.38Å
288N83.4Confident75.6Confident27 Ų2788 Ų8814%0.14447%0.467CS..THydrogen-bonded Turntrans-87.3-50.9174.8-159.340.3000112.1C286 F296 C299 H301 Q302 P303 L304C286-N288 PolarHBondContact O-N 3.33Å; C286-N288 VanDerWaalsContact SG-CB 3.53Å; C286-N288 PolarHBondContact SG-N 3.25Å; N288-F296 HydrophobicContact CB-CD2 3.64Å; N288-F296 HydrophobicContact CB-CE2 3.61Å; N288-C299 HydrophobicContact CB-CB 4.25Å; N288-H301 PolarHBondContact ND2-O 3.43Å; N288-Q302 PolarHBondContact ND2-O 3.17Å; N288-Q302 PolarHBondContact OD1-O 3.45Å; N288-P303 WeakPolarHBondContact OD1-CA 3.19Å; N288-L304 WeakPolarHBondContact OD1-CD1 3.4Å; N288-L304 PolarHBondContact OD1-N 3.43Å
289C87.1Confident76.5Confident35 Ų3580.8 Ų80.824%0.23644%0.442CS..THydrogen-bonded Turntrans-113.1-5.2-174.564.90000114.4C286 H291 H294 H301C286-C289 VanDerWaalsContact SG-SG 3.69Å; C289-H291 PolarHBondContact O-N 3.45Å; C289-H294 PolarHBondContact SG-CE1 2.93Å; C289-H294 PolarHBondContact SG-NE2 3.05Å; C289-H294 VanDerWaalsContact SG-NE2 3.38Å; C289-H301 HydrophobicContact CB-CB 4.26Å; C289-H301 WeakPolarHBondContact CB-CD2 3.17Å
290G84.7Confident77.7Confident60 Ų6084.6 Ų84.662%0.61946%0.456SS*.  trans77.3-10.2-178.300000115.2C286C286-G290 WeakPolarHBondContact O-CA 3.45Å; C286-G290 PolarHBondContact O-N 3.13Å
291H84.7Confident78.9Confident116 Ų11680.6 Ų80.654%0.53744%0.44SS..  trans-72.5144.7-178.8-68.4-65.1000112.9G285 C286 C289G285-H291 CarbonylContact C-O 3.54Å; G285-H291 WeakPolarHBondContact CA-O 3.36Å; C286-H291 PolarHBondContact N-O 3.46Å; C289-H291 PolarHBondContact O-N 3.45Å
292K86.8Confident79.8Confident176 Ų17682.6 Ų82.677%0.76544%0.441SS*.SBendtrans-78.1161.8174.4-56.1-172178.8173.80110.9K284K284-K292 WeakPolarHBondContact O-CG 3.31Å
293G83.9Confident80.5Confident73 Ų7377.4 Ų77.475%0.75343%0.427SS*.SBendtrans94-11.4171.500000116.4
294H86.2Confident80.9Confident42 Ų4280.7 Ų80.719%0.19444%0.441CS..SBendtrans-136.8154.5172.369.9-81.8000111.2C286 C289 D298 C299C286-H294 VanDerWaalsContact CB-NE2 3.26Å; C286-H294 WeakPolarHBondContact CB-NE2 3.42Å; C286-H294 PolarHBondContact N-O 3.35Å; C286-H294 PolarHBondContact SG-NE2 3.43Å; C286-H294 VanDerWaalsContact SG-NE2 3.38Å; C289-H294 PolarHBondContact SG-CE1 2.93Å; C289-H294 PolarHBondContact SG-NE2 3.05Å; C289-H294 VanDerWaalsContact SG-NE2 3.38Å; H294-D298 HydrophobicContact CB-CB 4.15Å; H294-C299 PolarHBondContact NE2-SG 3.45Å; H294-C299 VanDerWaalsContact NE2-SG 3.37Å
295T80.4Confident80.7Confident19 Ų1979.7 Ų79.712%0.11744%0.437CS..  trans-83.6165.4172.570.20000110.5E297 D298 C299T295-E297 PolarHBondContact O-N 2.62Å; T295-E297 VanDerWaalsContact O-N 3.14Å; T295-E297 PolarHBondContact OG1-N 3.49Å; T295-D298 PolarHBondContact N-OD2 2.99Å; T295-D298 PolarHBondContact O-N 2.84Å; T295-D298 PolarHBondContact OG1-OD2 3.41Å; T295-C299 PolarHBondContact O-N 3.09Å
296F76.9Confident79.9Confident34 Ų3480.4 Ų80.415%0.14944%0.437CS..G310 helixtrans-52.5-32170.9176.4-87.3000113.2C287 N288 D298 C299 L312C287-F296 VanDerWaalsContact SG-CB 3.53Å; C287-F296 WeakPolarHBondContact SG-CD2 3.37Å; N288-F296 HydrophobicContact CB-CD2 3.64Å; N288-F296 HydrophobicContact CB-CE2 3.61Å; F296-D298 VanDerWaalsContact C-N 3.28Å; F296-D298 PolarHBondContact O-N 3.33Å; F296-C299 WeakPolarHBondContact O-CB 3.32Å; F296-C299 PolarHBondContact O-N 2.93Å; F296-L312 HydrophobicContact CE1-CB 3.52Å; F296-L312 HydrophobicContact CE1-CD1 3.86Å; F296-L312 HydrophobicContact CE1-CG 4.3Å; F296-L312 HydrophobicContact CE2-CD1 3.9Å; F296-L312 HydrophobicContact CZ-CB 3.81Å; F296-L312 HydrophobicContact CZ-CD1 3.17Å; F296-L312 HydrophobicContact CZ-CG 4.09Å
297E75.2Confident79Confident67 Ų6787.4 Ų87.431%0.31347%0.469SS..G310 helixtrans-69.2-28.2-179.7-60.3176.7-164.800112.5T295 R314 R315 R316T295-E297 PolarHBondContact O-N 2.62Å; T295-E297 VanDerWaalsContact O-N 3.14Å; T295-E297 PolarHBondContact OG1-N 3.49Å; E297-R314 HydrophobicContact CG-CG 4.36Å; E297-R314 WeakPolarHBondContact OE1-CA 3.45Å; E297-R314 WeakPolarHBondContact OE1-CB 3.37Å; E297-R315 PolarHBondContact OE1-N 2.85Å; E297-R316 PolarHBondContact OE1-N 2.65Å
298D79.5Confident78.2Confident90 Ų9090.5 Ų90.548%0.48148%0.475SS..G310 helixtrans-98.57.5-177.9-49.3-55.6000111.9H294 T295 F296H294-D298 HydrophobicContact CB-CB 4.15Å; T295-D298 PolarHBondContact N-OD2 2.99Å; T295-D298 PolarHBondContact O-N 2.84Å; T295-D298 PolarHBondContact OG1-OD2 3.41Å; F296-D298 VanDerWaalsContact C-N 3.28Å; F296-D298 PolarHBondContact O-N 3.33Å
299C84.3Confident77.4Confident21 Ų2190.4 Ų90.414%0.14247%0.474CS..  trans-78.4126.9-175.3-167.20000111.7C286 N288 H294 T295 F296 H301C286-C299 VanDerWaalsContact SG-CB 3.51Å; C286-C299 PolarHBondContact SG-SG 3.12Å; N288-C299 HydrophobicContact CB-CB 4.25Å; H294-C299 PolarHBondContact NE2-SG 3.45Å; H294-C299 VanDerWaalsContact NE2-SG 3.37Å; T295-C299 PolarHBondContact O-N 3.09Å; F296-C299 WeakPolarHBondContact O-CB 3.32Å; F296-C299 PolarHBondContact O-N 2.93Å; C299-H301 PolarHBondContact SG-N 3.12Å
300H82.2Confident76.4Confident191 Ų19190.3 Ų90.388%0.88448%0.479SS*.  trans-87.8-5.7175.2-63.7-60.9000114.1
301H82.2Confident75.6Confident103 Ų10391.2 Ų91.248%0.47747%0.474SS..SBendtrans-74.8153.6175.1-65.3-80.3000111.2N288 C289 C299N288-H301 PolarHBondContact ND2-O 3.43Å; C289-H301 HydrophobicContact CB-CB 4.26Å; C289-H301 WeakPolarHBondContact CB-CD2 3.17Å; C299-H301 PolarHBondContact SG-N 3.12Å
302Q77.5Confident74.8Confident154 Ų15487.7 Ų87.772%0.7246%0.459SS*.PPolyproline II helixtrans-54.4128.2175.8-173172.39.700109.8N288N288-Q302 PolarHBondContact ND2-O 3.17Å; N288-Q302 PolarHBondContact OD1-O 3.45Å
303P75.1Confident73.9Confident79 Ų7981.6 Ų81.651%0.51344%0.437SS..PPolyproline II helixtrans-60.5144178.8-23.432.9000111.5N288 K305 L312N288-P303 WeakPolarHBondContact OD1-CA 3.19Å; P303-K305 PolarHBondContact O-N 2.95Å; P303-L312 HydrophobicContact CB-CD1 4.18Å
304L70.2Confident73.2Confident104 Ų10482.5 Ų82.555%0.54542%0.418SS..PPolyproline II helixtrans-48.1128.2164.7-74.8123.7000109.5C287 N288 S306C287-L304 WeakPolarHBondContact O-CD1 3.38Å; N288-L304 WeakPolarHBondContact OD1-CD1 3.4Å; N288-L304 PolarHBondContact OD1-N 3.43Å; L304-S306 PolarHBondContact O-N 3.1Å
305K66.6Low72.5Confident178 Ų17888.5 Ų88.577%0.77444%0.439SS*.  trans-55.1109.8177.2-74.5-175.3-177.5-179.70108.1P303P303-K305 PolarHBondContact O-N 2.95Å
306S64.7Low72.2Confident45 Ų4594.3 Ų94.332%0.31546%0.458SS..  trans-117.9141.6179.987.20000109.3L304 F308 L312L304-S306 PolarHBondContact O-N 3.1Å; S306-F308 PolarHBondContact O-N 2.93Å; S306-L312 WeakPolarHBondContact OG-CD2 3.45Å
307H65.8Low72.4Confident150 Ų15093.8 Ų93.869%0.69446%0.458SS*.  trans-73.4-3.2179.1-61-73000113.3K231K231-H307 PolarHBondContact NZ-O 2.82Å
308F65.6Low72.6Confident136 Ų13695 Ų9560%0.59647%0.466SS*.SBendtrans-63.7149.8-179.2-69-74.2000112.6S306 L312S306-F308 PolarHBondContact O-N 2.93Å; F308-L312 HydrophobicContact CD2-CD2 4.05Å
309I66.6Low72.6Confident26 Ų2693.8 Ų93.813%0.13346%0.462CS..SBendtrans-88110.7174.1-60.9168.9000107.8A223 L237 L240 K241A223-I309 VanDerWaalsContact CA-CD1 3.47Å; A223-I309 HydrophobicContact CB-CD1 3.38Å; L237-I309 HydrophobicContact CD1-CD1 3.45Å; L237-I309 VanDerWaalsContact CD1-CD1 3.45Å; L237-I309 HydrophobicContact CD1-CG1 3.95Å; L240-I309 HydrophobicContact CB-CD1 4.3Å; L240-I309 HydrophobicContact CD1-CD1 4.32Å; K241-I309 HydrophobicContact CG-CG2 3.9Å
310G66.4Low72.6Confident33 Ų3395.9 Ų95.934%0.3447%0.468SS..SBendtrans99.6-171.4177.600000112.9
311P66.9Low72.7Confident79 Ų7988.5 Ų88.551%0.51344%0.435SS..SBendtrans-62.8149.3177.928.2-33.8000110.1Q250Q250-P311 HydrophobicContact CG-CG 4.45Å
312L67.4Low72.5Confident42 Ų4293.2 Ų93.222%0.2245%0.454CS..PPolyproline II helixtrans-54.2146.9176.6-83.1160.4000111.1Q250 F296 P303 S306 F308 R314Q250-L312 PolarHBondContact NE2-O 2.88Å; F296-L312 HydrophobicContact CE1-CB 3.52Å; F296-L312 HydrophobicContact CE1-CD1 3.86Å; F296-L312 HydrophobicContact CE1-CG 4.3Å; F296-L312 HydrophobicContact CE2-CD1 3.9Å; F296-L312 HydrophobicContact CZ-CB 3.81Å; F296-L312 HydrophobicContact CZ-CD1 3.17Å; F296-L312 HydrophobicContact CZ-CG 4.09Å; P303-L312 HydrophobicContact CB-CD1 4.18Å; S306-L312 WeakPolarHBondContact OG-CD2 3.45Å; F308-L312 HydrophobicContact CD2-CD2 4.05Å; L312-R314 PolarHBondContact O-N 3.3Å
313P67.8Low72.6Confident47 Ų4794 Ų9431%0.30546%0.455SS..PPolyproline II helixtrans-60.3133.4-17522.4-31.3000110.6
314R70.7Confident72.8Confident92 Ų9291.6 Ų91.635%0.34744%0.437SS..PPolyproline II helixtrans-63.6144.4173.1-72.7-178.1-176.9139.61109.9C248 E297 L312C248-R314 PolarHBondContact O-NH1 2.91Å; E297-R314 HydrophobicContact CG-CG 4.36Å; E297-R314 WeakPolarHBondContact OE1-CA 3.45Å; E297-R314 WeakPolarHBondContact OE1-CB 3.37Å; L312-R314 PolarHBondContact O-N 3.3Å
315R70.7Confident73.2Confident169 Ų16988.7 Ų88.764%0.63842%0.422SS*.SBendtrans-76.4-34.4170.9-73.4-171.5177.2-135.90.4110.9E297E297-R315 PolarHBondContact OE1-N 2.85Å
316R73.8Confident73.6Confident140 Ų14084.1 Ų84.153%0.52840%0.4SS..SBendtrans-85.3141.4-178.1-59.3-176.4-172.9-162.24111.4E297E297-R316 PolarHBondContact OE1-N 2.65Å
317V81.6Confident74.4Confident23 Ų2388.2 Ų88.214%0.13941%0.413CS..  trans-83.6121.1169.5176.50000107.9E260 R263 Q264 Y320E260-V317 HydrophobicContact CB-CG1 4.38Å; R263-V317 HydrophobicContact CB-CG2 3.55Å; Q264-V317 HydrophobicContact CB-CG1 4.12Å; V317-Y320 HydrophobicContact CB-CD2 4.46Å; V317-Y320 HydrophobicContact CB-CE2 3.8Å; V317-Y320 HydrophobicContact CG1-CD1 4.49Å; V317-Y320 HydrophobicContact CG1-CD2 3.91Å; V317-Y320 HydrophobicContact CG1-CE1 4.35Å; V317-Y320 HydrophobicContact CG1-CE2 3.75Å; V317-Y320 HydrophobicContact CG1-CG 4.28Å
318L78.7Confident75Confident93 Ų9383.6 Ų83.649%0.48740%0.397SS..SBendtrans-80.5-37.4177.7-63.4178.1000112.8C248 E260C248-L318 WeakPolarHBondContact O-CD1 3.3Å; E260-L318 WeakPolarHBondContact OE1-CB 3.38Å; E260-L318 WeakPolarHBondContact OE1-CG 3.31Å; E260-L318 PolarHBondContact OE1-N 2.87Å; E260-L318 VanDerWaalsContact OE1-N 3.09Å
319V80.5Confident75.6Confident65 Ų6578.5 Ų78.539%0.39438%0.376SS..  trans-128.9113.5-173.3-175.40000110.7R247R247-V319 PolarHBondContact NH2-O 3.21Å; R247-V319 VanDerWaalsContact NH2-O 3.14Å
320Y83Confident76.3Confident65 Ų6585.5 Ų85.526%0.25540%0.401SS..  trans-90.2135.3171.5-73.8-97.4000110.8Q264 P274 Q276 V317Q264-Y320 HydrophobicContact CB-CD1 3.72Å; Q264-Y320 HydrophobicContact CB-CE1 3.86Å; P274-Y320 HydrophobicContact CB-CD1 3.78Å; Q276-Y320 HydrophobicContact CB-CD1 4.36Å; Q276-Y320 HydrophobicContact CB-CE1 4.3Å; Q276-Y320 HydrophobicContact CB-CE2 4.47Å; Q276-Y320 HydrophobicContact CB-CG 4.49Å; Q276-Y320 HydrophobicContact CG-CD2 4.24Å; Q276-Y320 HydrophobicContact CG-CE2 3.97Å; V317-Y320 HydrophobicContact CB-CD2 4.46Å; V317-Y320 HydrophobicContact CB-CE2 3.8Å; V317-Y320 HydrophobicContact CG1-CD1 4.49Å; V317-Y320 HydrophobicContact CG1-CD2 3.91Å; V317-Y320 HydrophobicContact CG1-CE1 4.35Å; V317-Y320 HydrophobicContact CG1-CE2 3.75Å; V317-Y320 HydrophobicContact CG1-CG 4.28Å
321D84Confident77Confident36 Ų3688.3 Ų88.319%0.19341%0.407CS..  trans-77.5133.2177.2-66.1-53.8000111.3R247 Q264 P274 K323 I325R247-D321 IonicContact CZ-OD1 2.83Å; R247-D321 IonicContact CZ-OD2 3.95Å; R247-D321 VanDerWaalsContact CZ-OD2 3.25Å; R247-D321 IonicContact NH1-OD1 2.67Å; R247-D321 PolarHBondContact NH1-OD1 3.38Å; R247-D321 IonicContact NH1-OD2 2.65Å; R247-D321 PolarHBondContact NH1-OD2 2.88Å; R247-D321 IonicContact NH2-OD1 2.75Å; R247-D321 PolarHBondContact NH2-OD1 3.28Å; R247-D321 IonicContact NH2-OD2 2.85Å; R247-D321 PolarHBondContact NH2-OD2 3.41Å; Q264-D321 PolarHBondContact NE2-OD2 3.3Å; Q264-D321 PolarHBondContact OE1-OD2 2.8Å; Q264-D321 VanDerWaalsContact OE1-OD2 3.14Å; P274-D321 WeakPolarHBondContact CD-O 3.34Å; D321-K323 PolarHBondContact O-N 3.36Å; D321-I325 HydrophobicContact CB-CD1 4.19Å; D321-I325 HydrophobicContact CB-CG1 4.2Å; D321-I325 VanDerWaalsContact CG-CD1 3.4Å; D321-I325 WeakPolarHBondContact OD2-CD1 3.14Å
322K79.3Confident77.7Confident202 Ų20289.6 Ų89.688%0.87841%0.405SS*.SBendtrans-68.5-17177.6-62.6-174.9179.4-174.40113.4
323K79.3Confident78.4Confident170 Ų17089.9 Ų89.974%0.73941%0.406SS*.SBendtrans-130.3150.7-176.1-65-178.8-178.4177.80109.1D321 I325D321-K323 PolarHBondContact O-N 3.36Å; K323-I325 PolarHBondContact O-N 3.1Å
324D78.4Confident79Confident28 Ų2890.5 Ų90.515%0.1541%0.41CS..  trans-68.8106.2172.7-175.65.2000110.5Y265 G272 Y326 K327 S328Y265-D324 WeakPolarHBondContact OH-CA 3.15Å; Y265-D324 PolarHBondContact OH-OD1 3.27Å; G272-D324 WeakPolarHBondContact O-CB 3.21Å; D324-Y326 VanDerWaalsContact C-N 3.27Å; D324-Y326 PolarHBondContact O-N 3.36Å; D324-Y326 WeakPolarHBondContact OD1-CB 3.21Å; D324-Y326 PolarHBondContact OD1-N 3.29Å; D324-K327 HydrophobicContact CB-CB 3.86Å; D324-K327 PolarHBondContact O-N 2.67Å; D324-K327 PolarHBondContact OD1-N 3.15Å; D324-K327 WeakPolarHBondContact OD2-CB 3.42Å; D324-K327 PolarHBondContact OD2-N 3.03Å; D324-S328 PolarHBondContact O-N 3.04Å
325I79.8Confident79.7Confident44 Ų4492.5 Ų92.523%0.22642%0.421CS..Hα-helixtrans-62.1-39.2176.9-64.5-172.4000109.9L261 Y265 D321 K323 K327 S328 I329L261-I325 HydrophobicContact CD2-CD1 3.59Å; Y265-I325 PolarHBondContact OH-N 3.43Å; D321-I325 HydrophobicContact CB-CD1 4.19Å; D321-I325 HydrophobicContact CB-CG1 4.2Å; D321-I325 VanDerWaalsContact CG-CD1 3.4Å; D321-I325 WeakPolarHBondContact OD2-CD1 3.14Å; K323-I325 PolarHBondContact O-N 3.1Å; I325-K327 VanDerWaalsContact C-N 3.35Å; I325-K327 PolarHBondContact O-N 2.92Å; I325-S328 WeakPolarHBondContact O-CB 3.37Å; I325-S328 PolarHBondContact O-N 2.82Å; I325-S328 VanDerWaalsContact O-N 3.1Å; I325-S328 PolarHBondContact O-OG 3.23Å; I325-I329 HydrophobicContact CG2-CD1 3.72Å; I325-I329 HydrophobicContact CG2-CG1 4.25Å; I325-I329 WeakPolarHBondContact O-CG1 3.21Å; I325-I329 PolarHBondContact O-N 2.88Å
326Y74.8Confident80.1Confident81 Ų8187.3 Ų87.332%0.31841%0.405SS..Hα-helixtrans-67.7-35.1-178.1-67.2-69.7000112.2Y265 D324 S328 I329 R330Y265-Y326 HydrophobicContact CD2-CD2 4.11Å; Y265-Y326 AromaticContact CD2-CE2 3.61Å; Y265-Y326 HydrophobicContact CD2-CE2 3.61Å; Y265-Y326 HydrophobicContact CE1-CD2 4.16Å; Y265-Y326 AromaticContact CE2-CD2 3.58Å; Y265-Y326 HydrophobicContact CE2-CD2 3.58Å; Y265-Y326 AromaticContact CE2-CE2 3.36Å; Y265-Y326 HydrophobicContact CE2-CE2 3.36Å; Y265-Y326 HydrophobicContact CG-CE2 4.34Å; Y265-Y326 AromaticContact CZ-CD2 3.58Å; Y265-Y326 AromaticContact CZ-CE2 3.9Å; D324-Y326 VanDerWaalsContact C-N 3.27Å; D324-Y326 PolarHBondContact O-N 3.36Å; D324-Y326 WeakPolarHBondContact OD1-CB 3.21Å; D324-Y326 PolarHBondContact OD1-N 3.29Å; Y326-S328 VanDerWaalsContact C-N 3.32Å; Y326-S328 PolarHBondContact O-N 3.13Å; Y326-I329 PolarHBondContact O-N 3.06Å; Y326-R330 WeakPolarHBondContact O-CB 3.21Å; Y326-R330 VanDerWaalsContact O-CG 3.25Å; Y326-R330 WeakPolarHBondContact O-CG 3.28Å; Y326-R330 PolarHBondContact O-N 2.96Å
327K81.2Confident80.3Confident131 Ų13189.2 Ų89.257%0.5741%0.412SS*.Hα-helixtrans-59.4-43.6170.4-173.1172.5-175.4174.50111.6D324 I325 R330 L331D324-K327 HydrophobicContact CB-CB 3.86Å; D324-K327 PolarHBondContact O-N 2.67Å; D324-K327 PolarHBondContact OD1-N 3.15Å; D324-K327 WeakPolarHBondContact OD2-CB 3.42Å; D324-K327 PolarHBondContact OD2-N 3.03Å; I325-K327 VanDerWaalsContact C-N 3.35Å; I325-K327 PolarHBondContact O-N 2.92Å; K327-R330 PolarHBondContact O-N 3.35Å; K327-L331 HydrophobicContact CG-CD1 4.09Å; K327-L331 WeakPolarHBondContact O-CB 3.49Å; K327-L331 VanDerWaalsContact O-CG 3.28Å; K327-L331 WeakPolarHBondContact O-CG 3.25Å; K327-L331 PolarHBondContact O-N 2.99Å
328S78.4Confident80.2Confident54 Ų5492.9 Ų92.938%0.37843%0.428SS..Hα-helixtrans-65.4-40.6178.8810000112.4D324 I325 Y326 L331 K332D324-S328 PolarHBondContact O-N 3.04Å; I325-S328 WeakPolarHBondContact O-CB 3.37Å; I325-S328 PolarHBondContact O-N 2.82Å; I325-S328 VanDerWaalsContact O-N 3.1Å; I325-S328 PolarHBondContact O-OG 3.23Å; Y326-S328 VanDerWaalsContact C-N 3.32Å; Y326-S328 PolarHBondContact O-N 3.13Å; S328-L331 PolarHBondContact O-N 3.13Å; S328-K332 WeakPolarHBondContact O-CG 3.48Å; S328-K332 PolarHBondContact O-N 2.99Å
329I78.7Confident80.2Confident28 Ų2895 Ų9514%0.14443%0.434CS..Hα-helixtrans-65.6-46.8176.4-66.6170.9000110I325 Y326 L331 K332 L333 L410 P411I325-I329 HydrophobicContact CG2-CD1 3.72Å; I325-I329 HydrophobicContact CG2-CG1 4.25Å; I325-I329 WeakPolarHBondContact O-CG1 3.21Å; I325-I329 PolarHBondContact O-N 2.88Å; Y326-I329 PolarHBondContact O-N 3.06Å; I329-L331 VanDerWaalsContact C-N 3.34Å; I329-L331 PolarHBondContact O-N 3.2Å; I329-K332 PolarHBondContact O-N 3.44Å; I329-L333 HydrophobicContact CG2-CD1 3.85Å; I329-L333 HydrophobicContact CG2-CG 4.35Å; I329-L333 VanDerWaalsContact O-CG 3.31Å; I329-L333 WeakPolarHBondContact O-CG 3.31Å; I329-L333 PolarHBondContact O-N 3.05Å; I329-L410 HydrophobicContact CG2-CD2 4.4Å; I329-P411 HydrophobicContact CD1-CG 4.3Å
330R80.1Confident80.1Confident173 Ų17399.6 Ų99.665%0.65345%0.448SS*.Hα-helixtrans-57.1-46.2176-74.6176-174.8-171.83.1111.4Y326 K327 K332 L333 T334Y326-R330 WeakPolarHBondContact O-CB 3.21Å; Y326-R330 VanDerWaalsContact O-CG 3.25Å; Y326-R330 WeakPolarHBondContact O-CG 3.28Å; Y326-R330 PolarHBondContact O-N 2.96Å; K327-R330 PolarHBondContact O-N 3.35Å; R330-K332 PolarHBondContact O-N 3.43Å; R330-L333 PolarHBondContact O-N 3.05Å; R330-T334 WeakPolarHBondContact O-CG2 3.39Å; R330-T334 PolarHBondContact O-N 2.94Å; R330-T334 PolarHBondContact O-OG1 3.17Å
331L82Confident79.7Confident92 Ų92100.1 Ų100.148%0.48246%0.458SS..Hα-helixtrans-64.2-37177-74167.7000113.1K327 S328 I329 T334 K335K327-L331 HydrophobicContact CG-CD1 4.09Å; K327-L331 WeakPolarHBondContact O-CB 3.49Å; K327-L331 VanDerWaalsContact O-CG 3.28Å; K327-L331 WeakPolarHBondContact O-CG 3.25Å; K327-L331 PolarHBondContact O-N 2.99Å; S328-L331 PolarHBondContact O-N 3.13Å; I329-L331 VanDerWaalsContact C-N 3.34Å; I329-L331 PolarHBondContact O-N 3.2Å; L331-T334 WeakPolarHBondContact CA-OG1 3.42Å; L331-T334 PolarHBondContact O-OG1 3.4Å; L331-K335 WeakPolarHBondContact O-CB 3.26Å; L331-K335 VanDerWaalsContact O-CG 3.28Å; L331-K335 WeakPolarHBondContact O-CG 3.33Å; L331-K335 PolarHBondContact O-N 3.25Å
332K82.1Confident79.3Confident106 Ų106105.2 Ų105.246%0.46148%0.479SS..Hα-helixtrans-65.6-43.5173.2-76.2174.5171.3-175.80110.7S328 I329 R330 K335 L336 E409S328-K332 WeakPolarHBondContact O-CG 3.48Å; S328-K332 PolarHBondContact O-N 2.99Å; I329-K332 PolarHBondContact O-N 3.44Å; R330-K332 PolarHBondContact O-N 3.43Å; K332-K335 PolarHBondContact O-N 2.8Å; K332-L336 VanDerWaalsContact O-CG 3.32Å; K332-L336 WeakPolarHBondContact O-CG 3.11Å; K332-L336 PolarHBondContact O-N 2.77Å; K332-E409 IonicContact NZ-OE2 2.93Å; K332-E409 PolarHBondContact NZ-OE2 3.31Å
333L80.7Confident78.9Confident48 Ų4899.5 Ų99.525%0.25146%0.463SS..Hα-helixtrans-65.7-40.1179.5-71.2168.5000112.5I329 R330 L336 R337 L410I329-L333 HydrophobicContact CG2-CD1 3.85Å; I329-L333 HydrophobicContact CG2-CG 4.35Å; I329-L333 VanDerWaalsContact O-CG 3.31Å; I329-L333 WeakPolarHBondContact O-CG 3.31Å; I329-L333 PolarHBondContact O-N 3.05Å; R330-L333 PolarHBondContact O-N 3.05Å; L333-L336 PolarHBondContact O-N 3.01Å; L333-R337 WeakPolarHBondContact O-CG 3.41Å; L333-R337 PolarHBondContact O-N 3.35Å; L333-L410 HydrophobicContact CD1-CD2 3.85Å; L333-L410 HydrophobicContact CD2-CD2 4.07Å; L333-L410 HydrophobicContact CG-CD2 4.45Å
334T82Confident78.4Confident61 Ų6197.6 Ų97.637%0.37446%0.455SS..Hα-helixtrans-63.8-46.617554.40000111R330 L331 L336 R337 E338R330-T334 WeakPolarHBondContact O-CG2 3.39Å; R330-T334 PolarHBondContact O-N 2.94Å; R330-T334 PolarHBondContact O-OG1 3.17Å; L331-T334 WeakPolarHBondContact CA-OG1 3.42Å; L331-T334 PolarHBondContact O-OG1 3.4Å; T334-L336 VanDerWaalsContact C-N 3.28Å; T334-L336 PolarHBondContact O-N 3.2Å; T334-R337 WeakPolarHBondContact O-CB 3.26Å; T334-R337 PolarHBondContact O-N 2.96Å; T334-R337 VanDerWaalsContact O-N 3.09Å; T334-E338 WeakPolarHBondContact O-CG 3.28Å; T334-E338 PolarHBondContact O-N 3.21Å
335K84.4Confident77.9Confident133 Ų133102.6 Ų102.658%0.57848%0.475SS*.Hα-helixtrans-58-37.8174.4-73176.7-178.6-1760112.8L331 K332 K339L331-K335 WeakPolarHBondContact O-CB 3.26Å; L331-K335 VanDerWaalsContact O-CG 3.28Å; L331-K335 WeakPolarHBondContact O-CG 3.33Å; L331-K335 PolarHBondContact O-N 3.25Å; K332-K335 PolarHBondContact O-N 2.8Å; K335-K339 WeakPolarHBondContact O-CG 3.49Å; K335-K339 PolarHBondContact O-N 3.43Å
336L78.9Confident77Confident60 Ų60104.2 Ų104.231%0.31449%0.487SS..Hα-helixtrans-69.5-40175.5-73172.8000112.2K332 L333 T334 K339 K340 L402 M406K332-L336 VanDerWaalsContact O-CG 3.32Å; K332-L336 WeakPolarHBondContact O-CG 3.11Å; K332-L336 PolarHBondContact O-N 2.77Å; L333-L336 PolarHBondContact O-N 3.01Å; T334-L336 VanDerWaalsContact C-N 3.28Å; T334-L336 PolarHBondContact O-N 3.2Å; L336-K339 PolarHBondContact O-N 3.39Å; L336-K340 PolarHBondContact O-N 2.68Å; L336-L402 HydrophobicContact CD2-CD1 4.21Å; L336-M406 HydrophobicContact CD1-CG 4.35Å
337R77.5Confident76.3Confident180 Ų180104.7 Ų104.768%0.67950%0.495SS*.Hα-helixtrans-62.7-43.5174-73175.9-177.6-173.50.6111.3L333 T334 K340 T341L333-R337 WeakPolarHBondContact O-CG 3.41Å; L333-R337 PolarHBondContact O-N 3.35Å; T334-R337 WeakPolarHBondContact O-CB 3.26Å; T334-R337 PolarHBondContact O-N 2.96Å; T334-R337 VanDerWaalsContact O-N 3.09Å; R337-K340 WeakPolarHBondContact O-CB 3.33Å; R337-K340 PolarHBondContact O-N 2.91Å; R337-K340 VanDerWaalsContact O-N 3.17Å; R337-T341 WeakPolarHBondContact O-CG2 3.43Å; R337-T341 PolarHBondContact O-N 3.37Å; R337-T341 PolarHBondContact O-OG1 3.21Å
338E79.8Confident75.1Confident101 Ų101102.7 Ų102.747%0.47249%0.488SS..Hα-helixtrans-62.9-40.9175.6-72.5170.9-165.900112.8T334 K340 T341 K342T334-E338 WeakPolarHBondContact O-CG 3.28Å; T334-E338 PolarHBondContact O-N 3.21Å; E338-K340 VanDerWaalsContact C-N 3.31Å; E338-K340 PolarHBondContact O-N 2.85Å; E338-T341 WeakPolarHBondContact CA-OG1 3.49Å; E338-T341 PolarHBondContact O-N 3.39Å; E338-T341 PolarHBondContact O-OG1 2.9Å; E338-K342 WeakPolarHBondContact O-CB 3.25Å; E338-K342 WeakPolarHBondContact O-CG 3.31Å; E338-K342 PolarHBondContact O-N 3.18Å
339K80Confident74.1Confident138 Ų138106.5 Ų106.560%0.650%0.499SS*.Hα-helixtrans-62.5-40.5173.2-75.8178.9180-173.70111.3K335 L336 K342 C343K335-K339 WeakPolarHBondContact O-CG 3.49Å; K335-K339 PolarHBondContact O-N 3.43Å; L336-K339 PolarHBondContact O-N 3.39Å; K339-K342 PolarHBondContact O-N 2.83Å; K339-C343 WeakPolarHBondContact O-CB 3.09Å; K339-C343 PolarHBondContact O-N 2.98Å; K339-C343 PolarHBondContact O-SG 3.25Å
340K77.1Confident73.1Confident161 Ų161108.9 Ų108.970%0.752%0.515SS*.Hα-helixtrans-66-40.8177.3-168.4179.2179.5-177.40111.9L336 R337 E338 C343 K344L336-K340 PolarHBondContact O-N 2.68Å; R337-K340 WeakPolarHBondContact O-CB 3.33Å; R337-K340 PolarHBondContact O-N 2.91Å; R337-K340 VanDerWaalsContact O-N 3.17Å; E338-K340 VanDerWaalsContact C-N 3.31Å; E338-K340 PolarHBondContact O-N 2.85Å; K340-C343 PolarHBondContact O-N 3.4Å; K340-K344 WeakPolarHBondContact O-CB 3.36Å; K340-K344 PolarHBondContact O-N 3.38Å
341T74.6Confident71.6Confident75 Ų75105.4 Ų105.446%0.4651%0.509SS..Hα-helixtrans-69.1-40.2176.456.10000111.8R337 E338 C343 K344 K345R337-T341 WeakPolarHBondContact O-CG2 3.43Å; R337-T341 PolarHBondContact O-N 3.37Å; R337-T341 PolarHBondContact O-OG1 3.21Å; E338-T341 WeakPolarHBondContact CA-OG1 3.49Å; E338-T341 PolarHBondContact O-N 3.39Å; E338-T341 PolarHBondContact O-OG1 2.9Å; T341-C343 VanDerWaalsContact C-N 3.35Å; T341-C343 PolarHBondContact O-N 3.39Å; T341-K344 PolarHBondContact O-N 2.84Å; T341-K345 WeakPolarHBondContact O-CG 3.39Å; T341-K345 PolarHBondContact O-N 3.03Å
342K76.5Confident70.2Confident144 Ų144107.9 Ų107.963%0.62652%0.523SS*.Hα-helixtrans-60.6-41.5172.2-73.6176.2-178.61800112.4E338 K339 T346E338-K342 WeakPolarHBondContact O-CB 3.25Å; E338-K342 WeakPolarHBondContact O-CG 3.31Å; E338-K342 PolarHBondContact O-N 3.18Å; K339-K342 PolarHBondContact O-N 2.83Å; K342-T346 WeakPolarHBondContact O-CG2 3.49Å; K342-T346 PolarHBondContact O-N 2.66Å; K342-T346 PolarHBondContact O-OG1 3.47Å
343C69.7Low68.2Low82 Ų82108 Ų10855%0.55454%0.536SS*.Hα-helixtrans-68-34.3174.5-66.10000112.6K339 K340 T341 T346 L347K339-C343 WeakPolarHBondContact O-CB 3.09Å; K339-C343 PolarHBondContact O-N 2.98Å; K339-C343 PolarHBondContact O-SG 3.25Å; K340-C343 PolarHBondContact O-N 3.4Å; T341-C343 VanDerWaalsContact C-N 3.35Å; T341-C343 PolarHBondContact O-N 3.39Å; C343-T346 VanDerWaalsContact CA-OG1 3.31Å; C343-T346 WeakPolarHBondContact CA-OG1 3.4Å; C343-T346 PolarHBondContact O-OG1 2.97Å; C343-L347 WeakPolarHBondContact O-CB 3.47Å; C343-L347 PolarHBondContact O-N 3.37Å; C343-L347 VanDerWaalsContact O-N 3.09Å
344K70Confident66.3Low129 Ų129114 Ų11456%0.56156%0.56SS**Hα-helixtrans-69.5-43.4176.1-163.9-179.1-171.6-101.10111.4K340 T341 L347 E348K340-K344 WeakPolarHBondContact O-CB 3.36Å; K340-K344 PolarHBondContact O-N 3.38Å; T341-K344 PolarHBondContact O-N 2.84Å; K344-L347 PolarHBondContact O-N 3.36Å; K344-L347 VanDerWaalsContact O-N 3.16Å; K344-E348 WeakPolarHBondContact CE-OE1 3.33Å; K344-E348 IonicContact NZ-OE1 3.79Å; K344-E348 PolarHBondContact NZ-OE1 2.97Å; K344-E348 WeakPolarHBondContact O-CG 3.17Å; K344-E348 PolarHBondContact O-N 3.42Å
345K68.7Low63.9Low134 Ų134116 Ų11658%0.58357%0.572SS**Hα-helixtrans-61-45.2175.7-72.3-177.2177.9-166.50112.3T341 L347 E348 E349T341-K345 WeakPolarHBondContact O-CG 3.39Å; T341-K345 PolarHBondContact O-N 3.03Å; K345-L347 VanDerWaalsContact C-N 3.27Å; K345-L347 PolarHBondContact O-N 3.31Å; K345-E348 PolarHBondContact O-N 2.96Å; K345-E349 WeakPolarHBondContact O-CB 3.42Å; K345-E349 WeakPolarHBondContact O-CG 3.36Å; K345-E349 PolarHBondContact O-N 3.1Å
346T60.9Low61.7Low78 Ų78117 Ų11748%0.47958%0.582SS.*Hα-helixtrans-66.6-26.8175.446.30000113.2K342 C343 V350K342-T346 WeakPolarHBondContact O-CG2 3.49Å; K342-T346 PolarHBondContact O-N 2.66Å; K342-T346 PolarHBondContact O-OG1 3.47Å; C343-T346 VanDerWaalsContact CA-OG1 3.31Å; C343-T346 WeakPolarHBondContact CA-OG1 3.4Å; C343-T346 PolarHBondContact O-OG1 2.97Å; T346-V350 WeakPolarHBondContact O-CG2 3.46Å; T346-V350 PolarHBondContact O-N 3.28Å
347L58.8Low59.5Low90 Ų90120.5 Ų120.547%0.47160%0.601SS.*Hα-helixtrans-76.4-40.5173.1-170.164.8000111.6C343 K344 K345 V350 D351C343-L347 WeakPolarHBondContact O-CB 3.47Å; C343-L347 PolarHBondContact O-N 3.37Å; C343-L347 VanDerWaalsContact O-N 3.09Å; K344-L347 PolarHBondContact O-N 3.36Å; K344-L347 VanDerWaalsContact O-N 3.16Å; K345-L347 VanDerWaalsContact C-N 3.27Å; K345-L347 PolarHBondContact O-N 3.31Å; L347-V350 PolarHBondContact O-N 3.37Å; L347-D351 PolarHBondContact O-N 3.13Å
348E56Low57.7Low90 Ų90120.1 Ų120.142%0.42161%0.607SS.*Hα-helixtrans-67.2-35.5175.4-73167.8-176.800112K344 K345 V350 N352K344-E348 WeakPolarHBondContact CE-OE1 3.33Å; K344-E348 IonicContact NZ-OE1 3.79Å; K344-E348 PolarHBondContact NZ-OE1 2.97Å; K344-E348 WeakPolarHBondContact O-CG 3.17Å; K344-E348 PolarHBondContact O-N 3.42Å; K345-E348 PolarHBondContact O-N 2.96Å; E348-V350 VanDerWaalsContact C-N 3.35Å; E348-N352 PolarHBondContact O-N 3.15Å
349E58.2Low55.5Low134 Ų134123.3 Ų123.363%0.62662%0.622SS**Hα-helixtrans-67.9-31173.6-77.7170.9-173.300113K345K345-E349 WeakPolarHBondContact O-CB 3.42Å; K345-E349 WeakPolarHBondContact O-CG 3.36Å; K345-E349 PolarHBondContact O-N 3.1Å
350V57.2Low53.4Low77 Ų77123.6 Ų123.647%0.46763%0.63SS.*Hα-helixtrans-81.5-34.1177.3173.70000111.7T346 L347 E348 N352 C353T346-V350 WeakPolarHBondContact O-CG2 3.46Å; T346-V350 PolarHBondContact O-N 3.28Å; L347-V350 PolarHBondContact O-N 3.37Å; E348-V350 VanDerWaalsContact C-N 3.35Å; V350-N352 VanDerWaalsContact C-N 3.29Å; V350-N352 PolarHBondContact O-N 3.18Å; V350-C353 PolarHBondContact O-N 3.07Å
351D48.6Very low51.3Low101 Ų101124.4 Ų124.454%0.5464%0.636SS.*Hα-helixtrans-75.5-16.7176.6-75.2-16.1000113.1L347 C353L347-D351 PolarHBondContact O-N 3.13Å; D351-C353 VanDerWaalsContact C-N 3.34Å
352N52.3Low49.3Very low143 Ų143128 Ų12877%0.76565%0.653SS**THydrogen-bonded Turntrans-82.3-6.2171.1-79.6-13.6000114E348 V350 K354E348-N352 PolarHBondContact O-N 3.15Å; V350-N352 VanDerWaalsContact C-N 3.29Å; V350-N352 PolarHBondContact O-N 3.18Å; N352-K354 VanDerWaalsContact C-N 3.3Å; N352-K354 PolarHBondContact O-N 2.67Å
353C41.3Very low47.6Very low110 Ų110130.2 Ų130.274%0.74367%0.665SS**  trans-89.367.5165.5-730000109.9V350 D351 V355V350-C353 PolarHBondContact O-N 3.07Å; D351-C353 VanDerWaalsContact C-N 3.34Å; C353-V355 PolarHBondContact O-N 3.44Å
354K39.6Very low45.9Very low174 Ų174133.6 Ų133.676%0.75768%0.677SS**  trans-80.5112.5168-77-178.2-179.4179.10109.8N352N352-K354 VanDerWaalsContact C-N 3.3Å; N352-K354 PolarHBondContact O-N 2.67Å
355V33.2Very low44.1Very low102 Ų102137.1 Ų137.162%0.61869%0.688SS**  trans44.791.2133.6-167.10000114.8C353 D357C353-V355 PolarHBondContact O-N 3.44Å; V355-D357 VanDerWaalsContact CG1-CG 3.44Å; V355-D357 VanDerWaalsContact CG1-OD1 3.28Å; V355-D357 WeakPolarHBondContact CG1-OD1 3.43Å; V355-D357 VanDerWaalsContact CG1-OD2 3.31Å; V355-D357 WeakPolarHBondContact CG1-OD2 3.38Å
356I36.8Very low42.6Very low153 Ų153140.6 Ų140.679%0.78570%0.703SS**  trans-95.698.9151.3-59.6174.8000104.9H358I356-H358 PolarHBondContact O-N 2.69Å
357D33.3Very low41.4Very low135 Ų135145.4 Ų145.472%0.72272%0.72SS**  trans-71.7115163.4-66.8-38.9000107.1V355V355-D357 VanDerWaalsContact CG1-CG 3.44Å; V355-D357 VanDerWaalsContact CG1-OD1 3.28Å; V355-D357 WeakPolarHBondContact CG1-OD1 3.43Å; V355-D357 VanDerWaalsContact CG1-OD2 3.31Å; V355-D357 WeakPolarHBondContact CG1-OD2 3.38Å
358H38.7Very low40.5Very low172 Ų172145.6 Ų145.680%0.79673%0.726SS**  trans-121.692.3159.9-103-68.3000107.3I356 N360I356-H358 PolarHBondContact O-N 2.69Å; H358-N360 PolarHBondContact O-N 3.23Å
359E34Very low39.6Very low168 Ų168150.3 Ų150.379%0.78575%0.746SS**  trans-56.9120.9153.1-59-177.4153.900107.5
360N36.3Very low38.7Very low144 Ų144149.5 Ų149.577%0.7776%0.755SS**  trans174.1126133.4-84.8-19.5000112.4H358H358-N360 PolarHBondContact O-N 3.23Å
361E33.5Very low37.7Very low177 Ų177151.3 Ų151.383%0.82777%0.769SS**  trans75.487.7142.8-65.1-174.4145.900120.1
362N31.5Very low37.1Very low152 Ų152155 Ų15581%0.81378%0.78SS**  19.9112.9108.4-73.3-21.3000117.5
363Q41.4Very low36.7Very low190 Ų190155.8 Ų155.889%0.88878%0.779SS**  -175.8101.2123.4-98.9165.752.900108.3
364L33.6Very low36.5Very low152 Ų152159.2 Ų159.280%0.79678%0.782SS**  94.597.691.9-153.983.4000112.7
365Y31.6Very low36.4Very low204 Ų204160 Ų16080%0.879%0.785SS**  trans24.8126.8144.4-67.7-91.9000120.5
366K38.2Very low36.9Very low207 Ų207162.5 Ų162.590%0.979%0.79SS**  179.8116.8102-90.8164.1-170.8-179.40112.1
367H35.2Very low36.8Very low179 Ų179163.9 Ų163.983%0.82979%0.791SS**  trans-67.2-176.5161.6-95.1-65.4000111.5
368P39.9Very low36.9Very low93 Ų93164 Ų16460%0.60480%0.8SS**  cis-142.7-173.1-31.232.5-10.4000114.4
369K37.8Very low36.7Very low190 Ų190165.3 Ų165.383%0.82680%0.804SS**  trans94.2113.9151.6-59.8174.9-171.91790119.4
370S39.2Very low37Very low117 Ų117166.4 Ų166.482%0.81881%0.806SS**  141.8113.7123.967.80000109.2
371C35Very low36.8Very low114 Ų114164.2 Ų164.277%0.7780%0.802SS**  112.799.788.2-1680000110.3
372K36.1Very low37Very low178 Ų178163.3 Ų163.377%0.77480%0.803SS**  trans38.2128.1134-72.5178.5-178.5174.70120.5
373Q44.4Very low37Very low160 Ų160163.5 Ų163.575%0.74880%0.804SS**  trans87.8102.5136.6-70.517527.700119.6
374K37.5Very low36.8Very low183 Ų183165.7 Ų165.780%0.79680%0.804SS**  158.8122.4107.4-95.5168176.3173.20108.4
375K37.9Very low36.9Very low191 Ų191165.2 Ų165.283%0.8381%0.807SS**  36.1115.9108.7-74.4-177.3177.6178.20111.1
376Q42.5Very low37.1Very low154 Ų154162.8 Ų162.872%0.7280%0.803SS**  -178.7153.652.1-129.917315.300108.7
377K34.5Very low37.2Very low182 Ų182157 Ų15779%0.79179%0.789SS**  trans64.2107.1154.7-68.3171.3176.5174.60116.9
378C35.4Very low37.5Very low137 Ų137156.1 Ų156.193%0.92679%0.789SS**  -160.5137.9114.9-97.70000110
379K36.3Very low37.6Very low199 Ų199155.9 Ų155.987%0.86579%0.79SS**  trans-77.3146.3178.2-67.5165.9167.31720109
380K38.6Very low37.5Very low192 Ų192154.5 Ų154.584%0.83578%0.78SS**  trans123.4131145-72.7174.7174.8179.40111.7
381S32.2Very low37.6Very low98 Ų98153 Ų15369%0.68576%0.763SS**  trans51.9102.6159.956.20000115.7
382D38.5Very low37.9Very low158 Ų158156.8 Ų156.885%0.84577%0.766SS**  -174.8134.9104.1-85.6-27.6000112.9
383N32.3Very low38Very low155 Ų155152.3 Ų152.383%0.82976%0.758SS**  trans-65.3156.3171.3-70.3-47.9000110.2
384R35.9Very low37.8Very low237 Ų237149.4 Ų149.489%0.89475%0.754SS**  trans96.480.6171.6-59.1170.3168.9178.5-3.2115
385T36.7Very low38.2Very low142 Ų142147.5 Ų147.587%0.87175%0.746SS**SBendtrans-165.914.1147.4110000117
386H35.2Very low38.4Very low153 Ų153147.6 Ų147.671%0.70875%0.746SS**SBendtrans-108.47.8-177.3-107.3-79.4000116.6
387S39.5Very low38.2Very low85 Ų85146.8 Ų146.859%0.59474%0.744SS**SBendtrans-93.6-5.8-171.155.80000116.6N391S387-N391 PolarHBondContact O-ND2 2.91Å
388L42.3Very low38.9Very low161 Ų161141 Ų14184%0.84372%0.722SS**SBendtrans-101.9-16.3-171.2-76.7160.8000115.6
389S41Very low39.7Very low88 Ų88143.6 Ų143.662%0.61572%0.717SS**SBendtrans-96.6-15.5-17963.90000115.1
390Y36.3Very low40.7Very low161 Ų161142.4 Ų142.463%0.63171%0.712SS**SBendtrans-90.6-4.4-178.3-82.5-88.8000114.8
391N42Very low41.5Very low84 Ų84139.7 Ų139.745%0.44970%0.7SS.*THydrogen-bonded Turntrans-91.4-9.8-170.2-99.3-40000116S387S387-N391 PolarHBondContact O-ND2 2.91Å
392K41.4Very low42.4Very low194 Ų194139.6 Ų139.684%0.84369%0.692SS**THydrogen-bonded Turntrans-102.3-26178.7-72.7-177.8178.51780114.2
393S37Very low43.3Very low84 Ų84137.3 Ų137.359%0.58768%0.676SS**THydrogen-bonded Turntrans-85.3-20.4-179.959.10000114.1
394C40.8Very low44.5Very low100 Ų100136 Ų13668%0.67666%0.663SS**SBendtrans-92.3-18.4-174.9-141.50000114.2
395K46.5Very low45.4Very low143 Ų143127.2 Ų127.262%0.62264%0.641SS**SBendtrans-83.7-19.6-175-69.8-175179.1-177.50114.7
396F42.1Very low45.8Very low192 Ų192124.4 Ų124.484%0.84262%0.619SS**SBendtrans-101.3-9.9179.5-105.5-92.5000114.6N398F396-N398 PolarHBondContact O-N 2.8Å
397M37.7Very low46.7Very low138 Ų138120.7 Ų120.768%0.6860%0.602SS**SBendtrans-78.872.5173.2-75.9-73.4-91.900110.8
398N48.3Very low47.3Very low59 Ų59123 Ų12332%0.31660%0.603SS.*  84.957.3125.8-101-45.1000118.4F396 K400 K401 L402F396-N398 PolarHBondContact O-N 2.8Å; N398-K400 PolarHBondContact O-N 3.09Å; N398-K401 HydrophobicContact CB-CB 3.37Å; N398-K401 HydrophobicContact CB-CD 4.22Å; N398-K401 HydrophobicContact CB-CG 4.44Å; N398-K401 PolarHBondContact O-N 2.94Å; N398-K401 PolarHBondContact OD1-N 2.75Å; N398-L402 PolarHBondContact O-N 3.48Å
399K54.2Low47.5Very low192 Ų192120.7 Ų120.784%0.83559%0.588SS**Hα-helixtrans-46-41.3153.9-88.6-177.6178.2174.20111.3Q403K399-Q403 VanDerWaalsContact O-CB 3.26Å; K399-Q403 WeakPolarHBondContact O-CB 3.22Å; K399-Q403 PolarHBondContact O-N 3.18Å
400K55.6Low47.6Very low175 Ų175118.9 Ų118.976%0.76157%0.571SS**Hα-helixtrans-63.4-44.8174.7-84.1-175.31751790113.4N398 Q403 K404N398-K400 PolarHBondContact O-N 3.09Å; K400-Q403 PolarHBondContact O-N 3.28Å; K400-K404 VanDerWaalsContact O-CB 3.24Å; K400-K404 WeakPolarHBondContact O-CB 3.34Å; K400-K404 PolarHBondContact O-N 2.73Å
401K55.6Low47.9Very low134 Ų134113.6 Ų113.658%0.58356%0.556SS**Hα-helixtrans-70.5-34178.8-141.9176.6-163.8176.30112N398 A405N398-K401 HydrophobicContact CB-CB 3.37Å; N398-K401 HydrophobicContact CB-CD 4.22Å; N398-K401 HydrophobicContact CB-CG 4.44Å; N398-K401 PolarHBondContact O-N 2.94Å; N398-K401 PolarHBondContact OD1-N 2.75Å; K401-A405 WeakPolarHBondContact O-CB 3.33Å; K401-A405 PolarHBondContact O-N 3.14Å
402L51.4Low47.8Very low96 Ų96120 Ų12050%0.50358%0.576SS.*Hα-helixtrans-68.8-41.7174.3-168.470.8000111.4L336 N398 A405 M406L336-L402 HydrophobicContact CD2-CD1 4.21Å; N398-L402 PolarHBondContact O-N 3.48Å; L402-A405 PolarHBondContact O-N 2.86Å; L402-M406 PolarHBondContact O-N 2.9Å
403Q56.7Low47.6Very low110 Ų110118.6 Ų118.651%0.51457%0.57SS.*Hα-helixtrans-65.9-42.7175.2-174.1164.5-4.400111.6K399 K400 A405 M406 E407K399-Q403 VanDerWaalsContact O-CB 3.26Å; K399-Q403 WeakPolarHBondContact O-CB 3.22Å; K399-Q403 PolarHBondContact O-N 3.18Å; K400-Q403 PolarHBondContact O-N 3.28Å; Q403-A405 VanDerWaalsContact C-N 3.33Å; Q403-A405 PolarHBondContact O-N 3.19Å; Q403-M406 WeakPolarHBondContact O-CB 3.5Å; Q403-M406 PolarHBondContact O-N 3.12Å; Q403-M406 VanDerWaalsContact O-N 3.1Å; Q403-E407 PolarHBondContact NE2-OE1 2.88Å; Q403-E407 WeakPolarHBondContact O-CG 3.27Å; Q403-E407 PolarHBondContact O-N 3.48Å
404K58.6Low47.4Very low129 Ų129117.6 Ų117.656%0.56157%0.567SS**Hα-helixtrans-63.4-36.7175.3-160.8170.1-173.21760112.4K400 E407 Q408K400-K404 VanDerWaalsContact O-CB 3.24Å; K400-K404 WeakPolarHBondContact O-CB 3.34Å; K400-K404 PolarHBondContact O-N 2.73Å; K404-E407 PolarHBondContact O-N 3.02Å; K404-Q408 WeakPolarHBondContact O-CB 3.01Å; K404-Q408 VanDerWaalsContact O-CG 3.28Å; K404-Q408 WeakPolarHBondContact O-CG 3.2Å; K404-Q408 PolarHBondContact O-N 2.98Å; K404-Q408 VanDerWaalsContact O-N 3.09Å
405A54.9Low47.3Very low51 Ų51115.6 Ų115.642%0.42155%0.554SS.*Hα-helixtrans-68.9-34.8172.300000112.6K401 L402 Q403 E409K401-A405 WeakPolarHBondContact O-CB 3.33Å; K401-A405 PolarHBondContact O-N 3.14Å; L402-A405 PolarHBondContact O-N 2.86Å; Q403-A405 VanDerWaalsContact C-N 3.33Å; Q403-A405 PolarHBondContact O-N 3.19Å; A405-E409 WeakPolarHBondContact O-CB 3.13Å; A405-E409 WeakPolarHBondContact O-CG 3.2Å; A405-E409 PolarHBondContact O-N 2.03Å
406M44.3Very low46.7Very low84 Ų84112.2 Ų112.241%0.41455%0.548SS..Hα-helixtrans-69.6-35.9173.5-82.3179.555.500112.8L336 L402 Q403L336-M406 HydrophobicContact CD1-CG 4.35Å; L402-M406 PolarHBondContact O-N 2.9Å; Q403-M406 WeakPolarHBondContact O-CB 3.5Å; Q403-M406 PolarHBondContact O-N 3.12Å; Q403-M406 VanDerWaalsContact O-N 3.1Å
407E53.9Low46.5Very low74 Ų74104.9 Ų104.935%0.34652%0.521SS..Hα-helixtrans-74.5-30.8179-74.1168.8-17800112.5Q403 K404 S416Q403-E407 PolarHBondContact NE2-OE1 2.88Å; Q403-E407 WeakPolarHBondContact O-CG 3.27Å; Q403-E407 PolarHBondContact O-N 3.48Å; K404-E407 PolarHBondContact O-N 3.02Å; E407-S416 PolarHBondContact OE1-OG 2.87Å
408Q52.1Low46.6Very low134 Ų134104.1 Ų104.163%0.62653%0.526SS*.Hα-helixtrans-82.2-23.4179.5-72.8178.5-600114.3K404K404-Q408 WeakPolarHBondContact O-CB 3.01Å; K404-Q408 VanDerWaalsContact O-CG 3.28Å; K404-Q408 WeakPolarHBondContact O-CG 3.2Å; K404-Q408 PolarHBondContact O-N 2.98Å; K404-Q408 VanDerWaalsContact O-N 3.09Å
409E46.7Very low46.2Very low113 Ų113110 Ų11053%0.52855%0.545SS..Hα-helixtrans-100.8-6.2-174.1-69.1-83.7137.100114K332 A405 P411K332-E409 IonicContact NZ-OE2 2.93Å; K332-E409 PolarHBondContact NZ-OE2 3.31Å; A405-E409 WeakPolarHBondContact O-CB 3.13Å; A405-E409 WeakPolarHBondContact O-CG 3.2Å; A405-E409 PolarHBondContact O-N 2.03Å; E409-P411 WeakPolarHBondContact O-CD 3.15Å
410L43.6Very low45.4Very low50 Ų50104.7 Ų104.726%0.26252%0.524SS..  trans-97.3112.9174.8-75.9171.9000109I329 L333 Y412I329-L410 HydrophobicContact CG2-CD2 4.4Å; L333-L410 HydrophobicContact CD1-CD2 3.85Å; L333-L410 HydrophobicContact CD2-CD2 4.07Å; L333-L410 HydrophobicContact CG-CD2 4.45Å; L410-Y412 PolarHBondContact O-N 3.16Å
411P42.9Very low44.7Very low49 Ų4999 Ų9932%0.31851%0.506SS..SBendtrans-65.71.1178.221.9-26.3000113.5I329 E409I329-P411 HydrophobicContact CD1-CG 4.3Å; E409-P411 WeakPolarHBondContact O-CD 3.15Å
412Y40Very low43.9Very low220 Ų22097.5 Ų97.586%0.86351%0.505SS*.SBendtrans-148.978.3-178.3-130.2-96.4000111.4L410L410-Y412 PolarHBondContact O-N 3.16Å
413K36.6Very low43.6Very low164 Ų16498.4 Ų98.471%0.71351%0.51SS*.  trans-147.5114.4133.5-71.3-159.2177.4-1730105S415K413-S415 VanDerWaalsContact C-N 3.25Å; K413-S415 WeakPolarHBondContact O-CA 3.29Å; K413-S415 PolarHBondContact O-N 3.1Å
414A33.4Very low43.1Very low63 Ų6399.9 Ų99.952%0.52151%0.514SS..  trans-49.2106.4157.100000105.4Y220 S416Y220-A414 HydrophobicContact CE1-CB 4.14Å; A414-S416 PolarHBondContact O-N 3.25Å
415S37.4Very low42.3Very low58 Ų5899.9 Ų99.941%0.40652%0.516SS..  trans-58.9126.2-164.245.20000108.2K413 S417K413-S415 VanDerWaalsContact C-N 3.25Å; K413-S415 WeakPolarHBondContact O-CA 3.29Å; K413-S415 PolarHBondContact O-N 3.1Å; S415-S417 PolarHBondContact O-N 3.25Å
416S35.2Very low41.8Very low72 Ų72104.7 Ų104.750%0.50353%0.528SS..  trans-26.698.5157.126.20000111.2E407 A414E407-S416 PolarHBondContact OE1-OG 2.87Å; A414-S416 PolarHBondContact O-N 3.25Å
417S38.1Very low41.9Very low38 Ų38102.8 Ų102.827%0.26653%0.525SS..  trans-51.8137.8162.3166.90000107.6S415 Y419 M420S415-S417 PolarHBondContact O-N 3.25Å; S417-Y419 PolarHBondContact O-N 3.46Å; S417-Y419 WeakPolarHBondContact OG-CB 3.2Å; S417-Y419 PolarHBondContact OG-N 3.28Å; S417-M420 PolarHBondContact O-N 3.27Å
418P39.7Very low41.6Very low121 Ų121103.8 Ų103.879%0.78653%0.532SS*.THydrogen-bonded Turntrans-52.6-18.7172.9-23.132.4000113.1M420 S421P418-M420 VanDerWaalsContact C-N 3.33Å; P418-S421 PolarHBondContact O-OG 3.08Å
419Y38.5Very low41.4Very low183 Ų183104.4 Ų104.472%0.71853%0.533SS*.THydrogen-bonded Turntrans-73.6-20.2177.7-144.1-110.8000114S417S417-Y419 PolarHBondContact O-N 3.46Å; S417-Y419 WeakPolarHBondContact OG-CB 3.2Å; S417-Y419 PolarHBondContact OG-N 3.28Å
420M37.9Very low41.4Very low80 Ų80104.9 Ų104.939%0.39454%0.535SS..Hα-helixtrans-86.8-2.5-179.3-72.8-72105.300114.5S417 P418 N422 L423 K424S417-M420 PolarHBondContact O-N 3.27Å; P418-M420 VanDerWaalsContact C-N 3.33Å; M420-N422 VanDerWaalsContact C-N 3.32Å; M420-N422 PolarHBondContact O-N 3.2Å; M420-L423 HydrophobicContact CE-CD2 4.26Å; M420-K424 PolarHBondContact O-N 2.89Å
421S41.4Very low41.5Very low56 Ų56112 Ų11239%0.39256%0.558SS.*Hα-helixtrans-69.7-30.2177.761.60000112.8P418 Q425P418-S421 PolarHBondContact O-OG 3.08Å; S421-Q425 WeakPolarHBondContact O-CG 3.16Å; S421-Q425 PolarHBondContact O-N 2.86Å
422N38.9Very low41.5Very low102 Ų102115.5 Ų115.555%0.54557%0.572SS.*Hα-helixtrans-85.8-33.8-173.8-64.1-12.7000112.1M420 Q425 K426M420-N422 VanDerWaalsContact C-N 3.32Å; M420-N422 PolarHBondContact O-N 3.2Å; N422-Q425 PolarHBondContact O-N 3.02Å; N422-K426 PolarHBondContact O-N 3.3Å
423L45.1Very low41.8Very low116 Ų116109.1 Ų109.161%0.60755%0.553SS**Hα-helixtrans-71.7-39177.9-143.175.2000111.8M420 K426 A427M420-L423 HydrophobicContact CE-CD2 4.26Å; L423-K426 PolarHBondContact O-N 3.16Å; L423-A427 PolarHBondContact O-N 3.14Å; L423-A427 VanDerWaalsContact O-N 3.1Å
424K46.1Very low41.9Very low141 Ų141108.5 Ų108.561%0.61355%0.55SS**Hα-helixtrans-68.5-33.2173-77.3-175.2176.9179.70112.9M420 I428M420-K424 PolarHBondContact O-N 2.89Å; K424-I428 HydrophobicContact CB-CD1 4.48Å; K424-I428 VanDerWaalsContact O-CB 3.26Å; K424-I428 WeakPolarHBondContact O-CB 3.33Å; K424-I428 WeakPolarHBondContact O-CD1 3.39Å; K424-I428 WeakPolarHBondContact O-CG1 3.32Å; K424-I428 PolarHBondContact O-N 2.77Å
425Q41.7Very low42.1Very low128 Ų128108.2 Ų108.260%0.59855%0.548SS*.Hα-helixtrans-67.2-39.5175.5-79.417523.600112.1S421 N422 K429S421-Q425 WeakPolarHBondContact O-CG 3.16Å; S421-Q425 PolarHBondContact O-N 2.86Å; N422-Q425 PolarHBondContact O-N 3.02Å; Q425-K429 VanDerWaalsContact O-CB 3.26Å; Q425-K429 WeakPolarHBondContact O-CB 3.15Å; Q425-K429 PolarHBondContact O-N 2.91Å
426K44Very low42.4Very low152 Ų152113.5 Ų113.566%0.66156%0.564SS**Hα-helixtrans-67.3-43.4175.2-74.4-176.3177-177.60112.3N422 L423 K429 Q430N422-K426 PolarHBondContact O-N 3.3Å; L423-K426 PolarHBondContact O-N 3.16Å; K426-K429 PolarHBondContact O-N 3.17Å; K426-Q430 WeakPolarHBondContact O-CG 3.44Å; K426-Q430 PolarHBondContact O-N 3.09Å
427A46Very low42.7Very low44 Ų44116.8 Ų116.836%0.36458%0.575SS.*Hα-helixtrans-68.2-34.3177.100000113.5L423 R431L423-A427 PolarHBondContact O-N 3.14Å; L423-A427 VanDerWaalsContact O-N 3.1Å; A427-R431 WeakPolarHBondContact O-CB 2.93Å; A427-R431 WeakPolarHBondContact O-CG 3.11Å; A427-R431 PolarHBondContact O-N 3.31Å
428I49.2Very low42.5Very low95 Ų95121.9 Ų121.949%0.48760%0.599SS.*Hα-helixtrans-73.5-35.7174.7-68.1165.8000111K424 R431 M432K424-I428 HydrophobicContact CB-CD1 4.48Å; K424-I428 VanDerWaalsContact O-CB 3.26Å; K424-I428 WeakPolarHBondContact O-CB 3.33Å; K424-I428 WeakPolarHBondContact O-CD1 3.39Å; K424-I428 WeakPolarHBondContact O-CG1 3.32Å; K424-I428 PolarHBondContact O-N 2.77Å; I428-R431 PolarHBondContact O-N 2.72Å; I428-M432 HydrophobicContact CG2-CG 4.37Å; I428-M432 WeakPolarHBondContact O-CB 3.49Å; I428-M432 WeakPolarHBondContact O-CG 3.32Å; I428-M432 PolarHBondContact O-N 2.82Å
429K47.8Very low42.2Very low147 Ų147121.7 Ų121.764%0.63960%0.596SS**Hα-helixtrans-66.5-44.9175.6-163.6175.1-178.6-173.40111.2Q425 K426 R431 M432 D433Q425-K429 VanDerWaalsContact O-CB 3.26Å; Q425-K429 WeakPolarHBondContact O-CB 3.15Å; Q425-K429 PolarHBondContact O-N 2.91Å; K426-K429 PolarHBondContact O-N 3.17Å; K429-R431 PolarHBondContact O-N 3.14Å; K429-M432 PolarHBondContact O-N 3.18Å; K429-D433 VanDerWaalsContact O-CG 3.25Å; K429-D433 PolarHBondContact O-N 3.17Å
430Q46.1Very low42Very low124 Ų124120.6 Ų120.658%0.57960%0.601SS**Hα-helixtrans-60.8-42.4173.3-73.1173.9-17.800112K426 M432 D433 F434K426-Q430 WeakPolarHBondContact O-CG 3.44Å; K426-Q430 PolarHBondContact O-N 3.09Å; Q430-M432 VanDerWaalsContact C-N 3.33Å; Q430-M432 PolarHBondContact O-N 2.83Å; Q430-D433 PolarHBondContact O-N 2.98Å; Q430-F434 WeakPolarHBondContact O-CD2 3.35Å; Q430-F434 PolarHBondContact O-N 3.08Å; Q430-F434 VanDerWaalsContact O-N 3.1Å
431R45.1Very low41.7Very low199 Ų199122.1 Ų122.175%0.75162%0.617SS**Hα-helixtrans-66.6-28.6175.6-77178.7177.5177.5-1.7114.3A427 I428 K429 A435A427-R431 WeakPolarHBondContact O-CB 2.93Å; A427-R431 WeakPolarHBondContact O-CG 3.11Å; A427-R431 PolarHBondContact O-N 3.31Å; I428-R431 PolarHBondContact O-N 2.72Å; K429-R431 PolarHBondContact O-N 3.14Å; R431-A435 VanDerWaalsContact O-CB 3.29Å; R431-A435 WeakPolarHBondContact O-CB 3.49Å; R431-A435 PolarHBondContact O-N 3.38Å; R431-A435 VanDerWaalsContact O-N 3.13Å
432M44Very low41.3Very low123 Ų123125.1 Ų125.161%0.60664%0.638SS**Hα-helixtrans-80-26.7175.6-69.7-77.4177.200112.5I428 K429 Q430 K436I428-M432 HydrophobicContact CG2-CG 4.37Å; I428-M432 WeakPolarHBondContact O-CB 3.49Å; I428-M432 WeakPolarHBondContact O-CG 3.32Å; I428-M432 PolarHBondContact O-N 2.82Å; K429-M432 PolarHBondContact O-N 3.18Å; Q430-M432 VanDerWaalsContact C-N 3.33Å; Q430-M432 PolarHBondContact O-N 2.83Å; M432-K436 PolarHBondContact O-N 3.45Å
433D44.9Very low41Very low85 Ų85128 Ų12846%0.45565%0.652SS.*Hα-helixtrans-78.1-32.1176.1-65.7-28.6000111.3K429 Q430K429-D433 VanDerWaalsContact O-CG 3.25Å; K429-D433 PolarHBondContact O-N 3.17Å; Q430-D433 PolarHBondContact O-N 2.98Å
434F38.7Very low40.4Very low151 Ų151130.9 Ų130.966%0.66266%0.663SS**Hα-helixtrans-75.1-36.8169.3-75.7-72000113.1Q430 K436 L437Q430-F434 WeakPolarHBondContact O-CD2 3.35Å; Q430-F434 PolarHBondContact O-N 3.08Å; Q430-F434 VanDerWaalsContact O-N 3.1Å; F434-K436 PolarHBondContact O-N 2.85Å; F434-L437 PolarHBondContact O-N 2.99Å
435A38.9Very low40Very low58 Ų58130.6 Ų130.648%0.47967%0.667SS.*THydrogen-bonded Turntrans-70.8-7.817600000114.4R431R431-A435 VanDerWaalsContact O-CB 3.29Å; R431-A435 WeakPolarHBondContact O-CB 3.49Å; R431-A435 PolarHBondContact O-N 3.38Å; R431-A435 VanDerWaalsContact O-N 3.13Å
436K44.1Very low39.7Very low168 Ų168133.9 Ų133.973%0.7368%0.682SS**THydrogen-bonded Turntrans-87.5-10173.2-96.5-179.8175.8-177.60114M432 F434M432-K436 PolarHBondContact O-N 3.45Å; F434-K436 PolarHBondContact O-N 2.85Å
437L39.8Very low39.4Very low142 Ų142134.9 Ų134.974%0.74369%0.689SS**THydrogen-bonded Turntrans-100.1-10.6179.4-88141.5000113.7F434F434-L437 PolarHBondContact O-N 2.99Å
438D34Very low38.9Very low144 Ų144137.4 Ų137.477%0.7770%0.7SS**  trans-101.822.7-178.7-69.5-26.6000114.2
439V33.7Very low38.4Very low118 Ų118141.9 Ų141.972%0.71572%0.716SS**  trans-10475.8176.7-1710000109.9
440L35.8Very low38.1Very low160 Ų160144.3 Ų144.384%0.83873%0.727SS**  trans-117.5118156.6-88167.4000108.2S442L440-S442 PolarHBondContact O-N 2.87Å
441P31.1Very low37.8Very low111 Ų111147 Ų14772%0.72174%0.737SS**  trans-83.1105.8-170.530.4-31000111.4L443P441-L443 PolarHBondContact O-N 2.8Å; P441-L443 VanDerWaalsContact O-N 3.16Å
442S32.9Very low37.5Very low120 Ų120146.3 Ų146.384%0.83974%0.739SS**  trans-78.197.5165-70.50000110.1L440 E444L440-S442 PolarHBondContact O-N 2.87Å; S442-E444 PolarHBondContact O-N 3.38Å
443L33.1Very low37.2Very low161 Ų161151 Ų15184%0.84375%0.75SS**  trans-58.797.7155.8-75.5159.6000108.6P441P441-L443 PolarHBondContact O-N 2.8Å; P441-L443 VanDerWaalsContact O-N 3.16Å
444E31.9Very low36.9Very low177 Ų177155.5 Ų155.583%0.82777%0.765SS**  trans-168.8136.1160.3-110.3161.5-146.600110.9S442S442-E444 PolarHBondContact O-N 3.38Å
445I37Very low37.1Very low135 Ų135153 Ų15369%0.69276%0.762SS**  trans88.961.3168.4-40.4157.9000116.4E447 T448I445-E447 VanDerWaalsContact C-N 3.27Å; I445-T448 HydrophobicContact CG2-CG2 4.09Å
446E35.8Very low37.1Very low197 Ų197154.1 Ų154.192%0.92177%0.767SS**  trans-80.47157.8-101.3-143.9145.400114
447E38.5Very low37Very low174 Ų174152 Ų15281%0.81376%0.763SS**  trans-96.6-2.2-166.3-65.8-162.5144.100117.2I445I445-E447 VanDerWaalsContact C-N 3.27Å
448T35Very low37.2Very low97 Ų97151.9 Ų151.960%0.59576%0.759SS**SBendtrans-99.8-0.7-171.656.40000115.8I445I445-T448 HydrophobicContact CG2-CG2 4.09Å
449K39.1Very low37.6Very low189 Ų189151.1 Ų151.182%0.82276%0.755SS**SBendtrans-89.9-6.1-179.3-72.9177.3-178.1167.60115.3
450K40.9Very low38Very low197 Ų197155.3 Ų155.386%0.85776%0.758SS**SBendtrans-92.5-12.6174.1-78178.51791720114.7
451K38.6Very low38.3Very low182 Ų182155 Ų15579%0.79175%0.752SS**SBendtrans-89.4-15.7178.9-112.5174.3178.2174.90115.1
452K38.8Very low38.8Very low184 Ų184156.4 Ų156.480%0.875%0.753SS**THydrogen-bonded Turntrans-84.7-1.8179.7-105.3176.5177.6174.70115.5
453R39.2Very low39.1Very low222 Ų222159.4 Ų159.484%0.83875%0.751SS**THydrogen-bonded Turntrans-100.6-0.4176.5-76.8-175.9167.2-177.6-3.6114.3
454K38.1Very low39.4Very low178 Ų178155.9 Ų155.977%0.77474%0.74SS**SBendtrans-106-10.6-179.9-143.2173.2-178-177.10114.2
455V42.7Very low39.9Very low98 Ų98155.9 Ų155.959%0.59474%0.74SS**SBendtrans-103.9-4.7-177.5-178.30000112.6
456S39.4Very low39.8Very low83 Ų83154.4 Ų154.458%0.5874%0.741SS**SBendtrans-933177.664.40000114.3
457N41.2Very low39.8Very low122 Ų122150.8 Ų150.865%0.65273%0.732SS**SBendtrans-107.1-11.4-179-114.413.1000114.1
458E44.5Very low39.6Very low141 Ų141150.2 Ų150.266%0.65973%0.734SS**SBendtrans-93.7-12.5179.2-72171.4161.100113.1R460E458-R460 VanDerWaalsContact C-N 3.3Å; E458-R460 PolarHBondContact O-N 3.45Å
459N43.2Very low39.5Very low128 Ų128153.8 Ų153.868%0.68475%0.749SS**THydrogen-bonded Turntrans-90.112.8176.7-86.3-40.4000114.2
460R41.4Very low39.4Very low206 Ų206150.6 Ų150.678%0.77775%0.75SS**THydrogen-bonded Turntrans-108.8-4.3-178.6-134.2174.7-177.5176.4-1.3114E458E458-R460 VanDerWaalsContact C-N 3.3Å; E458-R460 PolarHBondContact O-N 3.45Å
461E41.2Very low38.9Very low152 Ų152152.7 Ų152.771%0.7175%0.753SS**SBendtrans-101.9-9.6178.1-83-175.7139.900114.8S464E461-S464 PolarHBondContact O-OG 3.27Å
462L42.7Very low38.7Very low141 Ų141151.4 Ų151.474%0.73875%0.749SS**SBendtrans-95.7-0.2180-84.8149.8000114.7
463K39.4Very low38.4Very low183 Ų183149.1 Ų149.180%0.79674%0.741SS**SBendtrans-107.27.3179.4-90.1-179.8175.3177.80114.5
464S39.9Very low38.3Very low88 Ų88147.8 Ų147.862%0.61574%0.742SS**SBendtrans-104.64-178.526.20000114.1E461E461-S464 PolarHBondContact O-OG 3.27Å
465Q41.2Very low37.8Very low177 Ų177144.8 Ų144.883%0.82774%0.743SS**SBendtrans-115.76.2-175-74.5-176.1-1.900115.7
466S36.2Very low37.5Very low104 Ų104146.2 Ų146.273%0.72776%0.758SS**SBendtrans-114.724.9-177.972.90000114.7
467V34.4Very low37.1Very low120 Ų120148 Ų14873%0.72777%0.77SS**  trans-125.957.6-178.1-168.90000110.5
468L34.3Very low36.7Very low163 Ų163147.5 Ų147.585%0.85378%0.776SS**  trans-153.3136.3164.2-77.7-179.5000107.8
469L34.1Very low36.1Very low172 Ų172145.7 Ų145.790%0.90178%0.779SS**  trans83.4111.7-174.8-47.1162.9000111.6
470S36.7Very low35.7Very low121 Ų121150.8 Ų150.885%0.84679%0.79SS**  cis-159.8129.733.7-500000110.3
471R30.8Very low35.4Very low242 Ų242149.6 Ų149.691%0.91379%0.793SS**  trans-93.7132.4161.7-85.5172141.6159.2-6.8107.8
472H33.5Very low34.7Very low155 Ų155149 Ų14972%0.71879%0.788SS**  trans177.2107.7139.2-112.6-101.6000107.3
473E33.2Very low34.3Very low135 Ų135149.7 Ų149.763%0.63179%0.793SS**  87.8113.3109.8-80.7-174.4171.400113.4
474F35.6Very low33.8Very low195 Ų195148.7 Ų148.786%0.85579%0.791SS**  176.2122.6108.3-98.5-77.5000110
475S28.7Very low33.5Very low114 Ų114150.9 Ų150.980%0.79780%0.801SS**  trans-76.6141.6174.5-60.70000111.1
476S36.3Very low33Very low129 Ų129147.4 Ų147.490%0.90280%0.796SS**  trans-157.6112.8152.8-72.50000110
477S30.9Very low33Very low120 Ų120149.3 Ų149.384%0.83980%0.798SS**  trans-71.8144.3-178.139.40000114.7
478S33.4Very low32.8Very low112 Ų112150.8 Ų150.878%0.78380%0.802SS**  trans-162.8101.7146.71680000110.5
479S32.2Very low32.8Very low102 Ų102151.5 Ų151.571%0.71380%0.798SS**  trans-71.8139172.353.50000112.4
480Y33.6Very low32.7Very low236 Ų236148 Ų14893%0.92579%0.788SS**  trans-140.3135.8142.9-90.7-77000110.9
481H35.6Very low32.7Very low180 Ų180150 Ų15083%0.83379%0.788SS**  trans-91.8152.4-159.5-150.1-84.1000112.1
482F27.1Very low33Very low140 Ų140143.9 Ų143.961%0.61478%0.778SS**  trans-43.2151168.9-124.4-117.6000114.4E484F482-E484 HydrophobicContact CD1-CG 4.12Å; F482-E484 HydrophobicContact CE1-CG 3.62Å
483N33.9Very low33Very low156 Ų156146.1 Ų146.183%0.83479%0.785SS**  -158.6113.7129.5-90.9-23.1000111.7
484E28.7Very low33.2Very low162 Ų162151.7 Ų151.776%0.75780%0.801SS**  trans-63.3131.6162.6-76.5170.6147.600109.9F482F482-E484 HydrophobicContact CD1-CG 4.12Å; F482-E484 HydrophobicContact CE1-CG 3.62Å
485T34.2Very low33.3Very low133 Ų133148.7 Ų148.782%0.81680%0.798SS**  trans-128.7114158.324.80000108.4
486S29.3Very low33.6Very low105 Ų105154.7 Ų154.773%0.73480%0.803SS**  trans-66.3126.1169.755.40000109.6
487D35.7Very low33.8Very low143 Ų143158.2 Ų158.277%0.76580%0.802SS**  trans-133.9113.3160.6-88.1-34.3000111.9
488N31.9Very low34.2Very low151 Ų151163.9 Ų163.981%0.80781%0.806SS**  trans-68.2117.9167.4-72.5-60.1000109.1
489F34.4Very low34.5Very low178 Ų178170.3 Ų170.378%0.78181%0.813SS**  trans-126.299.8160.1-97.7-83.8000111.8I491F489-I491 PolarHBondContact O-N 2.79Å
490S31.4Very low35Very low99 Ų99174.9 Ų174.969%0.69282%0.82SS**  trans-69.2105158.738.40000109.5T492S490-T492 PolarHBondContact O-N 3.09Å
491I36.4Very low35.2Very low163 Ų163169.1 Ų169.184%0.83681%0.814SS**  trans-9188.5168.3-63.2177.4000108.4F489F489-I491 PolarHBondContact O-N 2.79Å
492T37.6Very low35.3Very low114 Ų114171.7 Ų171.770%0.69982%0.816SS**  trans-84.2127.4161.9460000110.2S490S490-T492 PolarHBondContact O-N 3.09Å
493K33.2Very low36Very low201 Ų201169.9 Ų169.987%0.87482%0.821SS**  trans19.6108.1147.8-61178.9-179.2177.80116.2
494R36.4Very low36.2Very low253 Ų253167.1 Ų167.196%0.95581%0.814SS**  trans-145.1137.3149-111.5170.2-172.5160.91.9112.8
495T38.4Very low36.9Very low131 Ų131167.5 Ų167.580%0.80482%0.815SS**  trans-90.7152.9-161.337.60000113.7
496R36.1Very low37.4Very low240 Ų240169.3 Ų169.391%0.90682%0.82SS**  trans-7.5125.5148.9-76.6173.1163.3160.8-5116.9
497K39.7Very low37.9Very low203 Ų203170.9 Ų170.988%0.88382%0.819SS**  159.9149.1118-101.1177.9172.21730112.5
498R39.3Very low38.2Very low240 Ų240172 Ų17291%0.90682%0.82SS**  trans84.8132.5169.2-64.3174.8156.3163.2-6.5113.8
499R40.3Very low38.7Very low247 Ų247174.7 Ų174.793%0.93282%0.824SS**  cis-145148.636.6-74.9177.5160.8133.3-6.2113.5
500K42Very low38.9Very low198 Ų198171.3 Ų171.386%0.86183%0.829SS**  trans-100.3155.3164.6-136.6177.5-175.9-176.40107.2
501S36.9Very low39.1Very low115 Ų115172 Ų17280%0.80483%0.834SS**  trans69117.2154.858.50000121.9
502R39.3Very low39.3Very low234 Ų234171.2 Ų171.288%0.88384%0.837SS**  trans-164.3101.1138.3-95.5177.8173.3-172.2-5.2105.6
503S40.1Very low39.4Very low102 Ų102171 Ų17171%0.71384%0.84SS**  42.799.281.171.40000112.1
504S39.9Very low39.5Very low98 Ų98172.1 Ų172.169%0.68584%0.84SS**  93.3134.381.663.60000112.1
505E42.7Very low39.5Very low169 Ų169164.7 Ų164.779%0.7983%0.827SS**  trans80.9105.5169.3-66.5160173.300117.6
506D44.8Very low39.6Very low172 Ų172163.6 Ų163.692%0.9282%0.822SS**  -159.7124.6124.3-93.2-30.2000109.6
507I40.3Very low39.8Very low138 Ų138162 Ų16271%0.70882%0.822SS**  trans-106.6148.8-176.1-48.7179.9000108.8
508H42.3Very low39.8Very low167 Ų167160 Ų16077%0.77382%0.816SS**  trans82.5101.7159.2-69.3-65.5000118.6
509K41.8Very low39.7Very low207 Ų207155.4 Ų155.490%0.981%0.809SS**  160.9114.3109-89167.1-177.5178.20110.9
510A38.3Very low39.6Very low106 Ų106148.7 Ų148.788%0.87680%0.796SS**  trans166.2108.2135.600000109.2
511S35Very low39.6Very low115 Ų115148.7 Ų148.780%0.80480%0.798SS**  trans-120.9127.3170.4-61.30000108.4
512T40.2Very low39.8Very low146 Ų146152.2 Ų152.290%0.89680%0.802SS**  trans164.3131.4156.542.20000105.2
513S40.3Very low39.8Very low110 Ų110147.1 Ų147.177%0.76980%0.797SS**  cis-167.8123.219.143.60000106.6
514Y35.8Very low40Very low224 Ų224148.2 Ų148.288%0.87880%0.802SS**  81.6108.8101-142.1-89.5000117.1
515S36.9Very low40Very low97 Ų97151.5 Ų151.568%0.67881%0.811SS**  trans170.8111.4135.6171.90000111.2
516P39.2Very low39.9Very low107 Ų107155.3 Ų155.370%0.69582%0.818SS**  trans-127.8125.3154.331.5-15.8000111.8
517F40.4Very low39.9Very low207 Ų207156.4 Ų156.491%0.90882%0.815SS**  trans-75123.8173.2-106-90.8000111.2
518Q40.3Very low39.7Very low160 Ų160162.4 Ų162.475%0.74883%0.829SS**  trans-89.4148167-67.5-173.9-24.500110.9
519N37.9Very low39.9Very low145 Ų145164 Ų16478%0.77583%0.833SS**  -179.5101.5123.9-94.1-19.5000109.2
520T38.1Very low39.8Very low105 Ų105163.4 Ų163.464%0.64483%0.831SS**  70.8110.89355.40000113.7
521H41Very low40.3Very low198 Ų198168.2 Ų168.292%0.91783%0.832SS**  -165.7129.7125.5-97.5-71.3000109.8
522Q41.9Very low40.6Very low189 Ų189173 Ų17388%0.88383%0.834SS**  trans-75.9147.3-169.9-71.9163.5-15.600113.1
523T39.7Very low40.6Very low127 Ų127175.4 Ų175.478%0.77983%0.832SS**  trans-70.8160.5165.7400000111.9
524P44.3Very low40.6Very low125 Ų125174 Ų17481%0.81282%0.823SS**  trans-130.1129.5131.627.7-12.9000113R526P524-R526 PolarHBondContact O-N 3.42Å
525L38.1Very low41Very low168 Ų168171.5 Ų171.588%0.8882%0.819SS**  trans-58.1117.7168.2-74.4152000110.9
526R40.7Very low41.3Very low249 Ų249171.5 Ų171.594%0.9482%0.819SS**  trans-98.1109.1167.6-116-178.9178.8-176.10.1110.4P524P524-R526 PolarHBondContact O-N 3.42Å
527K45Very low41.7Very low195 Ų195172.7 Ų172.785%0.84882%0.824SS**  trans-72129.3170.2-66.7178.1176.8175.40109.8
528W37.4Very low42.2Very low263 Ų263169 Ų169100%0.99682%0.818SS**  trans-72.2125.3164.1-83.4-23000110.4
529K45.8Very low42.9Very low200 Ų200170.6 Ų170.687%0.8785%0.847SS**  trans-122114.6159.9-88-173.6175-179.90108.5
530K40.2Very low43.1Very low195 Ų195171.9 Ų171.985%0.84885%0.851SS**  trans-63.6131.7159.5-75.8174.7173.4175.80108.6
531K48.7Very low43.4Very low207 Ų207175.4 Ų175.490%0.986%0.862SS**  trans-141.7114.5153.6-95.8-171.7175.7-1750108.9
532Y39.7Very low43.5Very low217 Ų217174.1 Ų174.185%0.85186%0.858SS**  trans-64.8136.8156.2-76.6-98.5000108.9
533F40.9Very low43.6Very low196 Ų196173.2 Ų173.286%0.8686%0.857SS**  -166140.3128.9-133.9-101.4000110.7
534S41.3Very low43.8Very low81 Ų81176.1 Ų176.157%0.56686%0.862SS**  trans-91.4176-172.137.70000113.6
535Q43Very low43.8Very low170 Ų170179.5 Ų179.579%0.79487%0.865SS**  trans86.6137.6165.2-55.61729.200113.8
536S43.3Very low44.2Very low98 Ų98180.4 Ų180.469%0.68586%0.864SS**  cis-173.4132.99.533.90000106.9
537V47.4Very low44.5Very low131 Ų131175.1 Ų175.179%0.79486%0.858SS**  65.8140.1105.8-1690000116.8
538T52.5Low44.5Very low130 Ų130173.4 Ų173.480%0.79886%0.859SS**  trans89.9120.9174.472.10000114.1
539S53.3Low45.1Very low193 Ų193165.3 Ų165.3100%1.3585%0.847SS**  cis-140.7018.2-60.20000112.2

Retrieved 539 of 539 residues in 128.6 ms (Link to these results)