A0A087XVX1_POEFO Loading...

SRY-box transcription factor 7

AlphaFold DB , UniProt , Accession A0A087XVX1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1M45.9Very low46.4Very low244 Ų244145.2 Ų145.2100%1.20285%0.846SS**  0160.90-68.3-173.1-177.100108.7
2A43.3Very low46.3Very low108 Ų108141.6 Ų141.689%0.89383%0.831SS**  trans68.383.4173.600000118
3A44.5Very low46.2Very low97 Ų97146.5 Ų146.580%0.80284%0.841SS**  trans-156.1150.3144.800000108.5
4L52.2Low45.6Very low172 Ų172141.9 Ų141.990%0.90182%0.822SS**  trans105.958.4179.4-62171.2000118.3
5I51.3Low44.9Very low170 Ų170147.3 Ų147.387%0.87283%0.832SS**  trans-142.381147.4-45.9176.7000110.6
6S47.3Very low44.6Very low128 Ų128147.6 Ų147.690%0.89583%0.831SS**  trans-174.379.9157.3-86.20000111.1
7A47.9Very low44.6Very low94 Ų94145.3 Ų145.378%0.77783%0.826SS**  trans-164.458.716600000111.2
8Y43.6Very low45.3Very low156 Ų156143.8 Ų143.861%0.61282%0.823SS**  trans-157.764.9156.8-132.9-131.2000115.9W11Y8-W11 AromaticContact CE1-CD1 3.99Å; Y8-W11 HydrophobicContact CE1-CD2 4.34Å; Y8-W11 AromaticContact CE1-CE2 3.51Å; Y8-W11 AromaticContact CE1-CZ2 3.77Å; Y8-W11 HydrophobicContact CE1-CZ2 3.77Å; Y8-W11 AromaticContact CE1-NE1 3.25Å; Y8-W11 VanDerWaalsContact CE1-NE1 3.25Å; Y8-W11 AromaticContact CZ-CE2 3.65Å; Y8-W11 AromaticContact CZ-CZ2 3.77Å; Y8-W11 AromaticContact CZ-NE1 3.83Å; Y8-W11 WeakPolarHBondContact OH-CH2 2.92Å; Y8-W11 WeakPolarHBondContact OH-CZ2 3.48Å; Y8-W11 WeakPolarHBondContact OH-CZ3 3.13Å
9S47.7Very low45.5Very low131 Ų131142.9 Ų142.992%0.91682%0.822SS**  trans-124.778.5163.4-66.30000109.7
10S40.1Very low45.4Very low99 Ų99139.6 Ų139.669%0.69282%0.821SS**  trans171.2112.4150.9-172.20000108.8
11W46.3Very low45.6Very low198 Ų198141.1 Ų141.175%0.7583%0.825SS**  trans-102.5135.4157.1-82.1107.9000107.2Y8Y8-W11 AromaticContact CE1-CD1 3.99Å; Y8-W11 HydrophobicContact CE1-CD2 4.34Å; Y8-W11 AromaticContact CE1-CE2 3.51Å; Y8-W11 AromaticContact CE1-CZ2 3.77Å; Y8-W11 HydrophobicContact CE1-CZ2 3.77Å; Y8-W11 AromaticContact CE1-NE1 3.25Å; Y8-W11 VanDerWaalsContact CE1-NE1 3.25Å; Y8-W11 AromaticContact CZ-CE2 3.65Å; Y8-W11 AromaticContact CZ-CZ2 3.77Å; Y8-W11 AromaticContact CZ-NE1 3.83Å; Y8-W11 WeakPolarHBondContact OH-CH2 2.92Å; Y8-W11 WeakPolarHBondContact OH-CZ2 3.48Å; Y8-W11 WeakPolarHBondContact OH-CZ3 3.13Å
12P45.5Very low45.4Very low102 Ų102132.9 Ų132.966%0.66280%0.803SS**  trans-72.4135.7178.730-33.8000111.2S14P12-S14 PolarHBondContact O-N 3.47Å
13E45.2Very low45.2Very low205 Ų205135.5 Ų135.596%0.95880%0.802SS**  trans-91.582.3173.1-164.9163.3130.300108.8
14S36.9Very low45.6Very low83 Ų83137 Ų13758%0.5880%0.801SS**  trans-16293.917442.30000112.6P12 D16P12-S14 PolarHBondContact O-N 3.47Å; S14-D16 PolarHBondContact O-N 3.36Å
15F36.3Very low45.9Very low222 Ų222134.4 Ų134.497%0.97480%0.795SS**  trans-90.284.2155.8-87.4-81.8000108.3
16D39.4Very low45.2Very low152 Ų152133.7 Ų133.781%0.81379%0.793SS**PPolyproline II helixtrans-78.8127.4166.4-115.7-64.9000109.2S14S14-D16 PolarHBondContact O-N 3.36Å
17C44.8Very low45.1Very low109 Ų109131.1 Ų131.174%0.73678%0.779SS**PPolyproline II helixtrans-87.9137.7172.1-74.40000109.2
18P56.8Low44.9Very low119 Ų119135.4 Ų135.477%0.77378%0.782SS**PPolyproline II helixtrans-67.4145.1-178.828.6-34.9000111.6
19P48.7Very low44.8Very low126 Ų126132.6 Ų132.682%0.81878%0.782SS**PPolyproline II helixtrans-73.6130.2173.830.8-33000110.1
20G45.1Very low44.5Very low77 Ų77131.8 Ų131.879%0.79478%0.776SS**PPolyproline II helixtrans-103.4118.8164.200000109.5
21D47.8Very low44.5Very low171 Ų171135 Ų13591%0.91478%0.779SS**PPolyproline II helixtrans-63.1143.3171.3-73.3-66.5000111.7
22G41.8Very low44.4Very low71 Ų71136.5 Ų136.573%0.73279%0.785SS**  trans158.982.7170.500000116.6
23D40.3Very low44.2Very low163 Ų163137.3 Ų137.387%0.87279%0.788SS**  trans57.5142.8153-89.7-91.7000123.6
24V51.8Low44.4Very low130 Ų130133.4 Ų133.479%0.78878%0.781SS**  trans-137.4128.3178173.60000104.9
25P58.5Low44.9Very low117 Ų117135.7 Ų135.776%0.7679%0.791SS**  -148.817275.839.9-19.5000114.2
26D36.7Very low45.3Very low155 Ų155131 Ų13183%0.82978%0.776SS**  cis-166170.842.2-167.66000109.7
27A45.8Very low45.7Very low74 Ų74132.7 Ų132.761%0.61278%0.776SS**  trans-79.6143.3-17600000113.7
28H43.4Very low46Very low183 Ų183132.5 Ų132.585%0.84777%0.772SS**  -173.4154.2120.8-113.5-91000113.7
29V42.8Very low46.1Very low98 Ų98132.2 Ų132.259%0.59477%0.77SS**  trans63.987.5172.4-167.60000116.3H31V29-H31 PolarHBondContact O-N 3.37Å
30S41Very low46.9Very low114 Ų114134.9 Ų134.980%0.79777%0.771SS**  trans-62.495.9154.8-175.40000109.9R32S30-R32 VanDerWaalsContact C-N 3.33Å; S30-R32 PolarHBondContact O-N 3.27Å
31H39.6Very low48.7Very low165 Ų165136.8 Ų136.876%0.76477%0.77SS**  trans-65.397.5163.5-84.5-84.5000108.2V29 T33V29-H31 PolarHBondContact O-N 3.37Å; H31-T33 PolarHBondContact O-N 2.96Å
32R43.5Very low50.7Low231 Ų231137.3 Ų137.387%0.87276%0.759SS**  trans-48.5113167.6-74.8-178.5172.3-171.9-2.9108.2S30S30-R32 VanDerWaalsContact C-N 3.33Å; S30-R32 PolarHBondContact O-N 3.27Å
33T43Very low53.2Low119 Ų119136.7 Ų136.773%0.7374%0.738SS**  trans-53.3139161.543.90000107.5H31 V35H31-T33 PolarHBondContact O-N 2.96Å; T33-V35 PolarHBondContact O-N 3.41Å; T33-V35 VanDerWaalsContact O-N 3.12Å
34P48.6Very low55.9Low122 Ų122139.4 Ų139.479%0.79274%0.736SS**  trans-55.9127177.2-19.730.7000107.3D36P34-D36 PolarHBondContact O-N 3.35Å
35V46.9Very low58.1Low132 Ų132140.8 Ų140.880%0.873%0.727SS**  trans-44.1107.4178.2169.80000107.6T33 K37T33-V35 PolarHBondContact O-N 3.41Å; T33-V35 VanDerWaalsContact O-N 3.12Å; V35-K37 PolarHBondContact O-N 3.42Å
36D44.5Very low60Low124 Ų124137.3 Ų137.366%0.66371%0.705SS**  trans-63.9110-179-172.57.8000105.3P34 T38P34-D36 PolarHBondContact O-N 3.35Å; D36-T38 HydrophobicContact CB-CG2 4.21Å; D36-T38 PolarHBondContact O-N 3.11Å
37K48.1Very low62.9Low187 Ų187133.6 Ų133.681%0.81368%0.683SS**  trans-7468.9170.8-67.6-179.3-178.2178.50105.6V35 P39V35-K37 PolarHBondContact O-N 3.42Å; K37-P39 WeakPolarHBondContact O-CD 3.4Å
38T50.9Low65.4Low105 Ų105134.1 Ų134.164%0.64468%0.676SS**  trans-49.4106.6175.344.90000105.6D36 E40D36-T38 HydrophobicContact CB-CG2 4.21Å; D36-T38 PolarHBondContact O-N 3.11Å; T38-E40 PolarHBondContact O-N 3.42Å
39P60.4Low68Low113 Ų113126.1 Ų126.173%0.73464%0.642SS**  trans-65.8119-174.625.5-31.5000105.5K37K37-P39 WeakPolarHBondContact O-CD 3.4Å
40E63.8Low70.7Confident182 Ų182123.9 Ų123.985%0.8562%0.624SS**  trans-37121.6-174.6-171.9179.417700109.9T38 R42T38-E40 PolarHBondContact O-N 3.42Å; E40-R42 PolarHBondContact O-N 2.78Å
41P84.4Confident73.4Confident116 Ų116122.7 Ų122.775%0.75361%0.607SS**  trans-59.3101.5-151.519.5-33000110.8I43P41-I43 PolarHBondContact O-N 3.39Å
42R89.8Confident76.2Confident182 Ų182115.7 Ų115.769%0.68758%0.576SS**  trans-58.1110.2-173.5178.1-171.1165.182.24.7109.2E40 R44E40-R42 PolarHBondContact O-N 2.78Å; R42-R44 PolarHBondContact O-N 2.92Å; R42-R44 VanDerWaalsContact O-N 3.08Å
43I94.5Very high78.9Confident59 Ų59105.7 Ų105.730%0.30354%0.538SS..PPolyproline II helixtrans-47.7116.8175.5-59.1165.7000109P41 H103 Y107 Y110P41-I43 PolarHBondContact O-N 3.39Å; I43-H103 WeakPolarHBondContact CG2-CE1 3.5Å; I43-Y107 HydrophobicContact CD1-CD1 3.47Å; I43-Y107 VanDerWaalsContact CD1-CD1 3.47Å; I43-Y107 HydrophobicContact CD1-CE1 3.99Å; I43-Y107 HydrophobicContact CD1-CG 3.97Å; I43-Y107 HydrophobicContact CG1-CD1 3.89Å; I43-Y107 HydrophobicContact CG1-CE1 3.92Å; I43-Y107 HydrophobicContact CG1-CG 4.39Å; I43-Y107 HydrophobicContact CG2-CD1 4.28Å; I43-Y107 HydrophobicContact CG2-CD2 3.88Å; I43-Y107 HydrophobicContact CG2-CE1 4.49Å; I43-Y107 HydrophobicContact CG2-CE2 4.11Å; I43-Y107 HydrophobicContact CG2-CG 3.96Å; I43-Y110 HydrophobicContact CB-CD2 3.91Å; I43-Y110 HydrophobicContact CB-CE2 4.11Å; I43-Y110 HydrophobicContact CD1-CD2 4.47Å; I43-Y110 HydrophobicContact CG2-CD2 3.45Å; I43-Y110 VanDerWaalsContact CG2-CD2 3.45Å; I43-Y110 HydrophobicContact CG2-CE2 3.73Å; I43-Y110 HydrophobicContact CG2-CG 4.24Å
44R95.7Very high81.5Confident219 Ų219100 Ų10083%0.82650%0.503SS*.PPolyproline II helixtrans-81.5155.4179.2-65.4-171.9178.8-156.62.7109.3R42 H103R42-R44 PolarHBondContact O-N 2.92Å; R42-R44 VanDerWaalsContact O-N 3.08Å; R44-H103 PolarHBondContact O-CE1 2.97Å
45R97.9Very high83.8Confident159 Ų159100.2 Ų100.260%0.649%0.491SS*.PPolyproline II helixtrans-64.1144.6173-62.7172.367.2-1670.8109.7Y110 Y112R45-Y110 WeakPolarHBondContact CG-OH 3.48Å; R45-Y112 HydrophobicContact CG-CD2 4.36Å
46P98.1Very high86.2Confident45 Ų4598.7 Ų98.729%0.29248%0.479SS..PPolyproline II helixtrans-61.2152.116727.2-32.9000110H103P46-H103 HydrophobicContact CB-CB 4.02Å; P46-H103 HydrophobicContact CG-CB 4.2Å
47M98.3Very high88.7Confident77 Ų7794.7 Ų94.738%0.37946%0.456SS..PPolyproline II helixtrans-72136.2178.7-64.8-173.2-67.100109.9M51 V52 L99M47-M51 HydrophobicContact CB-CB 4.06Å; M47-M51 HydrophobicContact CG-CB 4.4Å; M47-V52 HydrophobicContact CB-CG2 3.74Å; M47-V52 HydrophobicContact CE-CG2 4.39Å; M47-L99 HydrophobicContact CB-CD1 4.31Å; M47-L99 HydrophobicContact CE-CD1 3.81Å
48N98.6Very high91.1Very high84 Ų8488.6 Ų88.645%0.44943%0.428SS..PPolyproline II helixtrans-84168.6168.169.423.5000110.4F50 M51 V52N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 2.98Å; N48-F50 PolarHBondContact OD1-N 2.94Å; N48-M51 CarbonylContact O-C 3.24Å; N48-M51 WeakPolarHBondContact O-CA 3.4Å; N48-M51 PolarHBondContact O-N 2.98Å; N48-M51 WeakPolarHBondContact OD1-CB 3.31Å; N48-M51 VanDerWaalsContact OD1-CG 3.26Å; N48-M51 WeakPolarHBondContact OD1-CG 3.46Å; N48-M51 PolarHBondContact OD1-N 2.94Å; N48-V52 PolarHBondContact O-N 2.97Å
49A98.3Very high93.3Very high16 Ų1690.9 Ų90.913%0.13243%0.429CS..Hα-helixtrans-51.7-44-17500000114.1M51 V52 W53 W81 Y92 V93 A96A49-M51 PolarHBondContact O-N 3.38Å; A49-V52 PolarHBondContact O-N 3.07Å; A49-W53 PolarHBondContact O-N 2.72Å; A49-W81 HydrophobicContact CB-CH2 3.97Å; A49-W81 HydrophobicContact CB-CZ2 4.1Å; A49-Y92 VanDerWaalsContact CA-O 3.24Å; A49-Y92 WeakPolarHBondContact CA-O 3.14Å; A49-Y92 VanDerWaalsContact CB-O 3.28Å; A49-Y92 WeakPolarHBondContact CB-O 3.38Å; A49-V93 HydrophobicContact CB-CB 4.46Å; A49-V93 HydrophobicContact CB-CG2 3.86Å; A49-A96 HydrophobicContact CB-CB 4.15Å; A49-A96 VanDerWaalsContact N-CB 3.25Å
50F98.6Very high95Very high51 Ų5191.2 Ų91.222%0.22442%0.416CS..Hα-helixtrans-62.4-41.8174.8171.6-101.3000112.4N48 W53 A54 L77 W81N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 PolarHBondContact O-N 2.98Å; N48-F50 PolarHBondContact OD1-N 2.94Å; F50-W53 HydrophobicContact CD2-CE3 4.01Å; F50-W53 HydrophobicContact CD2-CZ3 4.16Å; F50-W53 HydrophobicContact CE2-CE3 4.09Å; F50-W53 AromaticContact CE2-CZ3 3.8Å; F50-W53 HydrophobicContact CE2-CZ3 3.8Å; F50-A54 HydrophobicContact CE1-CB 4.2Å; F50-A54 HydrophobicContact CE2-CB 4.2Å; F50-A54 HydrophobicContact CZ-CB 4.04Å; F50-A54 WeakPolarHBondContact O-CA 3.37Å; F50-A54 WeakPolarHBondContact O-CB 3.33Å; F50-A54 PolarHBondContact O-N 2.87Å; F50-L77 HydrophobicContact CE2-CB 4.38Å; F50-L77 HydrophobicContact CZ-CB 4.26Å; F50-W81 HydrophobicContact CB-CD2 4.39Å; F50-W81 HydrophobicContact CD2-CB 3.7Å; F50-W81 AromaticContact CD2-CD1 3.82Å; F50-W81 AromaticContact CD2-CD2 3.92Å; F50-W81 HydrophobicContact CD2-CD2 3.92Å; F50-W81 AromaticContact CD2-CG 3.52Å; F50-W81 HydrophobicContact CD2-CG 3.52Å; F50-W81 HydrophobicContact CE2-CB 3.84Å; F50-W81 HydrophobicContact CE2-CG 4.18Å
51M98.6Very high96.6Very high89 Ų8983.1 Ų83.144%0.43838%0.378SS..Hα-helixtrans-71.4-31.7179.6-68.9-67.4179.600112.9M47 N48 A49 K55M47-M51 HydrophobicContact CB-CB 4.06Å; M47-M51 HydrophobicContact CG-CB 4.4Å; N48-M51 CarbonylContact O-C 3.24Å; N48-M51 WeakPolarHBondContact O-CA 3.4Å; N48-M51 PolarHBondContact O-N 2.98Å; N48-M51 WeakPolarHBondContact OD1-CB 3.31Å; N48-M51 VanDerWaalsContact OD1-CG 3.26Å; N48-M51 WeakPolarHBondContact OD1-CG 3.46Å; N48-M51 PolarHBondContact OD1-N 2.94Å; A49-M51 PolarHBondContact O-N 3.38Å; M51-K55 PolarHBondContact O-N 3.37Å
52V98.6Very high97.1Very high18 Ų1879.5 Ų79.511%0.10936%0.358CS..Hα-helixtrans-62.6-58.9170.7178.20000109.1M47 N48 A49 A54 K55 Y92 E95 A96 L99M47-V52 HydrophobicContact CB-CG2 3.74Å; M47-V52 HydrophobicContact CE-CG2 4.39Å; N48-V52 PolarHBondContact O-N 2.97Å; A49-V52 PolarHBondContact O-N 3.07Å; V52-A54 PolarHBondContact O-N 3.22Å; V52-K55 VanDerWaalsContact O-CB 3.25Å; V52-K55 WeakPolarHBondContact O-CB 3.14Å; V52-K55 PolarHBondContact O-N 3.29Å; V52-Y92 HydrophobicContact CG1-CD1 4.14Å; V52-E95 HydrophobicContact CG1-CB 4.31Å; V52-E95 HydrophobicContact CG1-CG 3.78Å; V52-E95 HydrophobicContact CG2-CG 4.47Å; V52-A96 HydrophobicContact CG2-CB 4.16Å; V52-L99 HydrophobicContact CG2-CD1 3.83Å
53W98.4Very high97.5Very high21 Ų2176.4 Ų76.48%0.0836%0.359CS..Hα-helixtrans-58.4-46.1179170.476000113.2A49 F50 K55 E57 L77 W81 L84 Y92A49-W53 PolarHBondContact O-N 2.72Å; F50-W53 HydrophobicContact CD2-CE3 4.01Å; F50-W53 HydrophobicContact CD2-CZ3 4.16Å; F50-W53 HydrophobicContact CE2-CE3 4.09Å; F50-W53 AromaticContact CE2-CZ3 3.8Å; F50-W53 HydrophobicContact CE2-CZ3 3.8Å; W53-K55 PolarHBondContact O-N 3.09Å; W53-E57 HydrophobicContact CH2-CG 4.05Å; W53-E57 HydrophobicContact CZ2-CB 4.13Å; W53-E57 HydrophobicContact CZ2-CG 3.73Å; W53-E57 PolarHBondContact O-N 3.37Å; W53-L77 HydrophobicContact CH2-CB 4.28Å; W53-L77 HydrophobicContact CH2-CD2 3.71Å; W53-L77 WeakPolarHBondContact CH2-O 3.42Å; W53-L77 HydrophobicContact CZ3-CB 4Å; W53-L77 HydrophobicContact CZ3-CD2 3.76Å; W53-L77 VanDerWaalsContact CZ3-O 3.28Å; W53-L77 WeakPolarHBondContact CZ3-O 2.99Å; W53-W81 HydrophobicContact CB-CE3 3.99Å; W53-W81 HydrophobicContact CB-CZ3 3.65Å; W53-W81 AromaticContact CD2-CE3 3.6Å; W53-W81 HydrophobicContact CD2-CE3 3.6Å; W53-W81 HydrophobicContact CD2-CZ3 4.14Å; W53-W81 HydrophobicContact CE3-CB 4.05Å; W53-W81 HydrophobicContact CE3-CD2 4.28Å; W53-W81 AromaticContact CE3-CE3 3.63Å; W53-W81 HydrophobicContact CE3-CE3 3.63Å; W53-W81 HydrophobicContact CE3-CG 4.49Å; W53-W81 HydrophobicContact CE3-CZ3 4.46Å; W53-W81 AromaticContact CG-CE3 3.76Å; W53-W81 HydrophobicContact CG-CE3 3.76Å; W53-W81 AromaticContact CG-CZ3 3.78Å; W53-W81 HydrophobicContact CG-CZ3 3.78Å; W53-W81 HydrophobicContact CH2-CB 4.14Å; W53-W81 HydrophobicContact CZ3-CB 3.69Å; W53-W81 HydrophobicContact CZ3-CE3 4.41Å; W53-L84 HydrophobicContact CD2-CD1 4.43Å; W53-L84 HydrophobicContact CZ2-CD1 4.36Å; W53-Y92 HydrophobicContact CB-CD1 3.68Å; W53-Y92 HydrophobicContact CB-CD2 4.16Å; W53-Y92 HydrophobicContact CB-CE1 4Å; W53-Y92 HydrophobicContact CB-CE2 4.46Å; W53-Y92 HydrophobicContact CB-CG 3.77Å; W53-Y92 AromaticContact CD1-CE1 3.91Å; W53-Y92 AromaticContact CD1-CE2 3.68Å; W53-Y92 AromaticContact CD1-CZ 3.55Å; W53-Y92 HydrophobicContact CG-CD1 4.47Å; W53-Y92 HydrophobicContact CG-CD2 4.45Å; W53-Y92 HydrophobicContact CG-CE1 4.39Å; W53-Y92 HydrophobicContact CG-CE2 4.38Å; W53-Y92 HydrophobicContact CG-CG 4.5Å
54A98.3Very high97.5Very high0 Ų078.7 Ų78.70%037%0.369CS..Hα-helixtrans-72.8-5.6-177.400000113.5F50 V52 R58 L77F50-A54 HydrophobicContact CE1-CB 4.2Å; F50-A54 HydrophobicContact CE2-CB 4.2Å; F50-A54 HydrophobicContact CZ-CB 4.04Å; F50-A54 WeakPolarHBondContact O-CA 3.37Å; F50-A54 WeakPolarHBondContact O-CB 3.33Å; F50-A54 PolarHBondContact O-N 2.87Å; V52-A54 PolarHBondContact O-N 3.22Å; A54-R58 WeakPolarHBondContact O-CB 3.37Å; A54-R58 PolarHBondContact O-N 2.7Å; A54-R58 PolarHBondContact O-NH1 3.12Å; A54-L77 HydrophobicContact CB-CD1 4.36Å; A54-L77 HydrophobicContact CB-CD2 4.32Å
55K97.6Very high97.3Very high125 Ų12571 Ų7154%0.54334%0.344SS..Hα-helixtrans-64.6-57.3173.9-177.2-169.6172-161.60109.9M51 V52 W53 K59M51-K55 PolarHBondContact O-N 3.37Å; V52-K55 VanDerWaalsContact O-CB 3.25Å; V52-K55 WeakPolarHBondContact O-CB 3.14Å; V52-K55 PolarHBondContact O-N 3.29Å; W53-K55 PolarHBondContact O-N 3.09Å; K55-K59 PolarHBondContact O-N 3.41Å
56D96.2Very high97Very high100 Ų10068.2 Ų68.254%0.53535%0.347SS..Hα-helixtrans-83.9-37.3-172-57.1-39.9000111.3R58 K59 R60D56-R58 VanDerWaalsContact C-N 3.31Å; D56-R58 PolarHBondContact O-N 2.77Å; D56-K59 WeakPolarHBondContact O-CB 3.32Å; D56-K59 PolarHBondContact O-N 3.4Å; D56-K59 VanDerWaalsContact O-N 3.09Å; D56-R60 PolarHBondContact O-N 3.33Å
57E97.4Very high96.8Very high40 Ų4073.7 Ų73.719%0.18737%0.373CS..Hα-helixtrans-64.6-34.8175.3-176.362.5-172.100112W53 R60 L61 L77W53-E57 HydrophobicContact CH2-CG 4.05Å; W53-E57 HydrophobicContact CZ2-CB 4.13Å; W53-E57 HydrophobicContact CZ2-CG 3.73Å; W53-E57 PolarHBondContact O-N 3.37Å; E57-R60 PolarHBondContact O-N 2.87Å; E57-R60 IonicContact OE1-CZ 3.43Å; E57-R60 IonicContact OE1-NE 3.29Å; E57-R60 PolarHBondContact OE1-NE 3.26Å; E57-R60 IonicContact OE1-NH2 2.72Å; E57-R60 PolarHBondContact OE1-NH2 3.01Å; E57-R60 IonicContact OE2-CZ 3.66Å; E57-R60 IonicContact OE2-NE 3.55Å; E57-R60 PolarHBondContact OE2-NE 3.3Å; E57-R60 IonicContact OE2-NH2 3.53Å; E57-L61 HydrophobicContact CG-CD1 4.39Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.35Å; E57-L77 HydrophobicContact CB-CD2 3.71Å; E57-L77 HydrophobicContact CG-CD2 3.41Å; E57-L77 VanDerWaalsContact CG-CD2 3.41Å
58R97.9Very high96.6Very high60 Ų6073.2 Ų73.223%0.22637%0.372CS..Hα-helixtrans-63.4-44171.4-177.5-171.8-77.6106-3.3111.3A54 D56 R60 L61 A62 L73 L77A54-R58 WeakPolarHBondContact O-CB 3.37Å; A54-R58 PolarHBondContact O-N 2.7Å; A54-R58 PolarHBondContact O-NH1 3.12Å; D56-R58 VanDerWaalsContact C-N 3.31Å; D56-R58 PolarHBondContact O-N 2.77Å; R58-R60 VanDerWaalsContact C-N 3.33Å; R58-L61 PolarHBondContact O-N 2.87Å; R58-A62 VanDerWaalsContact O-CB 3.31Å; R58-A62 WeakPolarHBondContact O-CB 3.37Å; R58-A62 PolarHBondContact O-N 3.19Å; R58-L73 HydrophobicContact CG-CD1 4.44Å; R58-L77 HydrophobicContact CB-CD1 3.67Å; R58-L77 HydrophobicContact CG-CD1 4.07Å
59K97.6Very high96.5Very high153 Ų15376.1 Ų76.167%0.66538%0.383SS*.Hα-helixtrans-61-45.2177.8-172.4-178.5178.8-176.20110.1K55 D56 A62 V63K55-K59 PolarHBondContact O-N 3.41Å; D56-K59 WeakPolarHBondContact O-CB 3.32Å; D56-K59 PolarHBondContact O-N 3.4Å; D56-K59 VanDerWaalsContact O-N 3.09Å; K59-A62 PolarHBondContact O-N 3.44Å; K59-V63 WeakPolarHBondContact O-CG2 3.25Å; K59-V63 PolarHBondContact O-N 3.41Å; K59-V63 VanDerWaalsContact O-N 3.11Å
60R97.2Very high96.3Very high120 Ų12079 Ų7945%0.45340%0.396SS..Hα-helixtrans-56.4-51.6175.1-160.3-169.668.1811.9111.4D56 E57 R58 V63 Q64D56-R60 PolarHBondContact O-N 3.33Å; E57-R60 PolarHBondContact O-N 2.87Å; E57-R60 IonicContact OE1-CZ 3.43Å; E57-R60 IonicContact OE1-NE 3.29Å; E57-R60 PolarHBondContact OE1-NE 3.26Å; E57-R60 IonicContact OE1-NH2 2.72Å; E57-R60 PolarHBondContact OE1-NH2 3.01Å; E57-R60 IonicContact OE2-CZ 3.66Å; E57-R60 IonicContact OE2-NE 3.55Å; E57-R60 PolarHBondContact OE2-NE 3.3Å; E57-R60 IonicContact OE2-NH2 3.53Å; R58-R60 VanDerWaalsContact C-N 3.33Å; R60-V63 PolarHBondContact O-N 3.18Å; R60-Q64 VanDerWaalsContact C-NE2 3.28Å; R60-Q64 PolarHBondContact O-N 2.96Å; R60-Q64 PolarHBondContact O-NE2 2.8Å
61L95.8Very high96.3Very high12 Ų1279.3 Ų79.36%0.06341%0.407CS..Hα-helixtrans-66.6-36.9-179.1-70.1174.3000113.3E57 R58 Q64 N65 L73 M76 L77E57-L61 HydrophobicContact CG-CD1 4.39Å; E57-L61 WeakPolarHBondContact O-CG 3.48Å; E57-L61 PolarHBondContact O-N 3.35Å; R58-L61 PolarHBondContact O-N 2.87Å; L61-Q64 PolarHBondContact O-N 3.24Å; L61-N65 WeakPolarHBondContact O-CB 3.41Å; L61-N65 PolarHBondContact O-N 2.98Å; L61-N65 PolarHBondContact O-ND2 2.66Å; L61-L73 HydrophobicContact CB-CD2 4.03Å; L61-M76 HydrophobicContact CD1-CB 4.44Å; L61-M76 HydrophobicContact CD2-CE 4.24Å; L61-L77 HydrophobicContact CD1-CD2 4.08Å; L61-L77 HydrophobicContact CD1-CG 4.18Å
62A96.8Very high96.2Very high40 Ų4078.5 Ų78.533%0.33140%0.403SS..Hα-helixtrans-66.4-35.4177.300000112.7R58 K59 N65 P66 L73R58-A62 VanDerWaalsContact O-CB 3.31Å; R58-A62 WeakPolarHBondContact O-CB 3.37Å; R58-A62 PolarHBondContact O-N 3.19Å; K59-A62 PolarHBondContact O-N 3.44Å; A62-N65 CarbonylContact O-C 3.56Å; A62-N65 VanDerWaalsContact O-C 3.24Å; A62-N65 PolarHBondContact O-N 3.36Å; A62-P66 WeakPolarHBondContact O-CA 3.01Å; A62-L73 HydrophobicContact CB-CD1 3.88Å
63V96.4Very high96.1Very high117 Ų11777.9 Ų77.971%0.70940%0.398SS*.Hα-helixtrans-69.2-38.1174.81720000111.7K59 R60 N65K59-V63 WeakPolarHBondContact O-CG2 3.25Å; K59-V63 PolarHBondContact O-N 3.41Å; K59-V63 VanDerWaalsContact O-N 3.11Å; R60-V63 PolarHBondContact O-N 3.18Å; V63-N65 VanDerWaalsContact C-N 3.32Å
64Q94.7Very high96.1Very high107 Ų10779 Ų7950%0.541%0.409SS..Hα-helixtrans-72-24.9174.9-76.4157.2103.900113.2R60 L61R60-Q64 VanDerWaalsContact C-NE2 3.28Å; R60-Q64 PolarHBondContact O-N 2.96Å; R60-Q64 PolarHBondContact O-NE2 2.8Å; L61-Q64 PolarHBondContact O-N 3.24Å
65N91.6Very high96.1Very high56 Ų5684.7 Ų84.730%0.29943%0.434SS..  trans-138.771-172.5-52.7-97.4000109.8L61 A62 V63 D67 L68L61-N65 WeakPolarHBondContact O-CB 3.41Å; L61-N65 PolarHBondContact O-N 2.98Å; L61-N65 PolarHBondContact O-ND2 2.66Å; A62-N65 CarbonylContact O-C 3.56Å; A62-N65 VanDerWaalsContact O-C 3.24Å; A62-N65 PolarHBondContact O-N 3.36Å; V63-N65 VanDerWaalsContact C-N 3.32Å; N65-D67 PolarHBondContact O-N 3.36Å; N65-L68 HydrophobicContact CB-CB 3.89Å; N65-L68 HydrophobicContact CB-CD1 3.54Å; N65-L68 HydrophobicContact CB-CG 3.7Å; N65-L68 PolarHBondContact O-N 3.07Å; N65-L68 VanDerWaalsContact O-N 3.07Å
66P92.9Very high96.1Very high102 Ų10281.9 Ų81.966%0.66242%0.424SS*.THydrogen-bonded Turntrans-61.2-30.2-175.224.5-34.4000112.8A62 L68A62-P66 WeakPolarHBondContact O-CA 3.01Å; P66-L68 VanDerWaalsContact C-N 3.34Å
67D94.2Very high96.1Very high160 Ų16077.1 Ų77.186%0.85640%0.398SS*.THydrogen-bonded Turntrans-78.9-13.5179.3-52.5-48.9000113.6N65 H69N65-D67 PolarHBondContact O-N 3.36Å; D67-H69 PolarHBondContact O-N 3.12Å
68L94.1Very high96.2Very high67 Ų6776.4 Ų76.435%0.35140%0.402SS..SBendtrans-79.1116.9-178.8-76.8-174.5000112N65 P66 L73 M76N65-L68 HydrophobicContact CB-CB 3.89Å; N65-L68 HydrophobicContact CB-CD1 3.54Å; N65-L68 HydrophobicContact CB-CG 3.7Å; N65-L68 PolarHBondContact O-N 3.07Å; N65-L68 VanDerWaalsContact O-N 3.07Å; P66-L68 VanDerWaalsContact C-N 3.34Å; L68-L73 HydrophobicContact CB-CD2 3.86Å; L68-L73 HydrophobicContact CB-CG 4.39Å; L68-L73 HydrophobicContact CD1-CD2 4.12Å; L68-M76 HydrophobicContact CD1-SD 4.31Å
69H95.8Very high96.2Very high145 Ų14580.7 Ų80.767%0.67142%0.422SS*.  trans-62.4145.1176.1-170.465.3000112.6D67 A71 E72 L73D67-H69 PolarHBondContact O-N 3.12Å; H69-A71 PolarHBondContact O-N 2.82Å; H69-E72 PolarHBondContact O-N 2.91Å; H69-L73 PolarHBondContact O-N 2.77Å
70N94.6Very high96.2Very high77 Ų7776 Ų7641%0.41241%0.408SS..Hα-helixtrans-56.8-27.4-172.8-159.9-79.1000114.5E72 S74N70-E72 VanDerWaalsContact C-N 3.33Å; N70-S74 VanDerWaalsContact O-CB 3.32Å; N70-S74 WeakPolarHBondContact O-CB 3.49Å; N70-S74 PolarHBondContact O-N 3.43Å; N70-S74 PolarHBondContact O-OG 3.1Å; N70-S74 PolarHBondContact OD1-OG 2.81Å
71A96.9Very high96.3Very high56 Ų5672.5 Ų72.546%0.46340%0.395SS..Hα-helixtrans-62.4-38.717400000112.3H69 S74 K75H69-A71 PolarHBondContact O-N 2.82Å; A71-S74 PolarHBondContact O-N 2.93Å; A71-K75 WeakPolarHBondContact O-CG 3.38Å; A71-K75 PolarHBondContact O-N 3.34Å
72E97.3Very high96.4Very high73 Ų7380.1 Ų80.134%0.34143%0.428SS..Hα-helixtrans-74.6-43.9178.3-16057-136.500111H69 N70 S74 K75 M76H69-E72 PolarHBondContact O-N 2.91Å; N70-E72 VanDerWaalsContact C-N 3.33Å; E72-S74 PolarHBondContact O-N 3.43Å; E72-K75 WeakPolarHBondContact O-CB 3.28Å; E72-K75 PolarHBondContact O-N 3.09Å; E72-K75 WeakPolarHBondContact OE1-CD 3.34Å; E72-K75 IonicContact OE1-NZ 3.58Å; E72-K75 WeakPolarHBondContact OE2-CD 3.29Å; E72-K75 WeakPolarHBondContact OE2-CE 3.44Å; E72-K75 IonicContact OE2-NZ 3.93Å; E72-K75 PolarHBondContact OE2-NZ 3.29Å; E72-M76 PolarHBondContact O-N 2.99Å
73L96.7Very high96.4Very high4 Ų482 Ų822%0.02144%0.444CS..Hα-helixtrans-53.3-42.2170.9-57.3-175.6000111R58 L61 A62 L68 H69 K75 M76 L77R58-L73 HydrophobicContact CG-CD1 4.44Å; L61-L73 HydrophobicContact CB-CD2 4.03Å; A62-L73 HydrophobicContact CB-CD1 3.88Å; L68-L73 HydrophobicContact CB-CD2 3.86Å; L68-L73 HydrophobicContact CB-CG 4.39Å; L68-L73 HydrophobicContact CD1-CD2 4.12Å; H69-L73 PolarHBondContact O-N 2.77Å; L73-K75 PolarHBondContact O-N 3.47Å; L73-M76 PolarHBondContact O-N 3.22Å; L73-L77 WeakPolarHBondContact O-CB 3.5Å; L73-L77 WeakPolarHBondContact O-CD1 3.49Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 2.9Å
74S97.9Very high96.5Very high44 Ų4478.3 Ų78.331%0.30842%0.42SS..Hα-helixtrans-66.5-31.6177.8-62.60000113.5N70 A71 E72 G78N70-S74 VanDerWaalsContact O-CB 3.32Å; N70-S74 WeakPolarHBondContact O-CB 3.49Å; N70-S74 PolarHBondContact O-N 3.43Å; N70-S74 PolarHBondContact O-OG 3.1Å; N70-S74 PolarHBondContact OD1-OG 2.81Å; A71-S74 PolarHBondContact O-N 2.93Å; E72-S74 PolarHBondContact O-N 3.43Å; S74-G78 PolarHBondContact O-N 3.06Å; S74-G78 VanDerWaalsContact O-N 3.09Å
75K97.9Very high96.7Very high120 Ų12076.2 Ų76.252%0.52242%0.415SS..Hα-helixtrans-68.2-45.4170.7-65.2176.1-159.6162.50111.2A71 E72 L73 G78 K79A71-K75 WeakPolarHBondContact O-CG 3.38Å; A71-K75 PolarHBondContact O-N 3.34Å; E72-K75 WeakPolarHBondContact O-CB 3.28Å; E72-K75 PolarHBondContact O-N 3.09Å; E72-K75 WeakPolarHBondContact OE1-CD 3.34Å; E72-K75 IonicContact OE1-NZ 3.58Å; E72-K75 WeakPolarHBondContact OE2-CD 3.29Å; E72-K75 WeakPolarHBondContact OE2-CE 3.44Å; E72-K75 IonicContact OE2-NZ 3.93Å; E72-K75 PolarHBondContact OE2-NZ 3.29Å; L73-K75 PolarHBondContact O-N 3.47Å; K75-G78 PolarHBondContact O-N 3.19Å; K75-K79 WeakPolarHBondContact O-CG 3.48Å; K75-K79 PolarHBondContact O-N 2.74Å; K75-K79 VanDerWaalsContact O-N 3.1Å
76M97.4Very high97Very high66 Ų6678.5 Ų78.533%0.32543%0.432SS..Hα-helixtrans-60.1-48.9177.5-66.7173.767.800111.1L61 L68 E72 L73 G78 K79 S80L61-M76 HydrophobicContact CD1-CB 4.44Å; L61-M76 HydrophobicContact CD2-CE 4.24Å; L68-M76 HydrophobicContact CD1-SD 4.31Å; E72-M76 PolarHBondContact O-N 2.99Å; L73-M76 PolarHBondContact O-N 3.22Å; M76-G78 VanDerWaalsContact C-N 3.31Å; M76-G78 PolarHBondContact O-N 2.83Å; M76-K79 WeakPolarHBondContact O-CB 3.37Å; M76-K79 PolarHBondContact O-N 3.16Å; M76-S80 PolarHBondContact O-N 3.14Å; M76-S80 PolarHBondContact O-OG 3.05Å
77L98.1Very high97.3Very high0 Ų076.9 Ų76.90%042%0.422CS..Hα-helixtrans-56.5-42.9175.7-70.7162.3000112.1F50 W53 A54 E57 R58 L61 L73 K79 S80 W81F50-L77 HydrophobicContact CE2-CB 4.38Å; F50-L77 HydrophobicContact CZ-CB 4.26Å; W53-L77 HydrophobicContact CH2-CB 4.28Å; W53-L77 HydrophobicContact CH2-CD2 3.71Å; W53-L77 WeakPolarHBondContact CH2-O 3.42Å; W53-L77 HydrophobicContact CZ3-CB 4Å; W53-L77 HydrophobicContact CZ3-CD2 3.76Å; W53-L77 VanDerWaalsContact CZ3-O 3.28Å; W53-L77 WeakPolarHBondContact CZ3-O 2.99Å; A54-L77 HydrophobicContact CB-CD1 4.36Å; A54-L77 HydrophobicContact CB-CD2 4.32Å; E57-L77 HydrophobicContact CB-CD2 3.71Å; E57-L77 HydrophobicContact CG-CD2 3.41Å; E57-L77 VanDerWaalsContact CG-CD2 3.41Å; R58-L77 HydrophobicContact CB-CD1 3.67Å; R58-L77 HydrophobicContact CG-CD1 4.07Å; L61-L77 HydrophobicContact CD1-CD2 4.08Å; L61-L77 HydrophobicContact CD1-CG 4.18Å; L73-L77 WeakPolarHBondContact O-CB 3.5Å; L73-L77 WeakPolarHBondContact O-CD1 3.49Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 2.9Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.07Å; L77-S80 PolarHBondContact O-N 3.02Å; L77-W81 WeakPolarHBondContact O-CB 3.38Å; L77-W81 PolarHBondContact O-N 2.92Å
78G98.2Very high97.4Very high25 Ų2574.1 Ų74.126%0.25840%0.404SS..Hα-helixtrans-62.9-34.3176.100000113.8S74 K75 M76 K82S74-G78 PolarHBondContact O-N 3.06Å; S74-G78 VanDerWaalsContact O-N 3.09Å; K75-G78 PolarHBondContact O-N 3.19Å; M76-G78 VanDerWaalsContact C-N 3.31Å; M76-G78 PolarHBondContact O-N 2.83Å; G78-K82 WeakPolarHBondContact O-CG 3.36Å; G78-K82 PolarHBondContact O-N 2.92Å
79K98.2Very high97.6Very high151 Ų15173.1 Ų73.166%0.65740%0.397SS*.Hα-helixtrans-70.6-52173.5-67.9174.9-180-179.50111K75 M76 L77 W81 K82 A83K75-K79 WeakPolarHBondContact O-CG 3.48Å; K75-K79 PolarHBondContact O-N 2.74Å; K75-K79 VanDerWaalsContact O-N 3.1Å; M76-K79 WeakPolarHBondContact O-CB 3.37Å; M76-K79 PolarHBondContact O-N 3.16Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.07Å; K79-W81 PolarHBondContact O-N 3.4Å; K79-K82 WeakPolarHBondContact O-CB 3.46Å; K79-K82 PolarHBondContact O-N 3.43Å; K79-K82 VanDerWaalsContact O-N 3.13Å; K79-A83 PolarHBondContact O-N 2.94Å; K79-A83 VanDerWaalsContact O-N 3.12Å
80S97.8Very high97.8Very high54 Ų5472.5 Ų72.538%0.37839%0.388SS..Hα-helixtrans-61.9-41.7-178.5-59.30000112.3M76 L77 K82 A83 L84M76-S80 PolarHBondContact O-N 3.14Å; M76-S80 PolarHBondContact O-OG 3.05Å; L77-S80 PolarHBondContact O-N 3.02Å; S80-K82 VanDerWaalsContact C-N 3.31Å; S80-K82 PolarHBondContact O-N 3.05Å; S80-A83 PolarHBondContact O-N 3.37Å; S80-A83 VanDerWaalsContact O-N 3.12Å; S80-L84 PolarHBondContact O-N 3.13Å; S80-L84 VanDerWaalsContact O-N 3.07Å
81W98.3Very high98Very high46 Ų4671.9 Ų71.917%0.17439%0.388CS..Hα-helixtrans-59.5-39.9174.2178.5-105.6000112.7A49 F50 W53 L77 K79 A83 L84 K89 Y92A49-W81 HydrophobicContact CB-CH2 3.97Å; A49-W81 HydrophobicContact CB-CZ2 4.1Å; F50-W81 HydrophobicContact CB-CD2 4.39Å; F50-W81 HydrophobicContact CD2-CB 3.7Å; F50-W81 AromaticContact CD2-CD1 3.82Å; F50-W81 AromaticContact CD2-CD2 3.92Å; F50-W81 HydrophobicContact CD2-CD2 3.92Å; F50-W81 AromaticContact CD2-CG 3.52Å; F50-W81 HydrophobicContact CD2-CG 3.52Å; F50-W81 HydrophobicContact CE2-CB 3.84Å; F50-W81 HydrophobicContact CE2-CG 4.18Å; W53-W81 HydrophobicContact CB-CE3 3.99Å; W53-W81 HydrophobicContact CB-CZ3 3.65Å; W53-W81 AromaticContact CD2-CE3 3.6Å; W53-W81 HydrophobicContact CD2-CE3 3.6Å; W53-W81 HydrophobicContact CD2-CZ3 4.14Å; W53-W81 HydrophobicContact CE3-CB 4.05Å; W53-W81 HydrophobicContact CE3-CD2 4.28Å; W53-W81 AromaticContact CE3-CE3 3.63Å; W53-W81 HydrophobicContact CE3-CE3 3.63Å; W53-W81 HydrophobicContact CE3-CG 4.49Å; W53-W81 HydrophobicContact CE3-CZ3 4.46Å; W53-W81 AromaticContact CG-CE3 3.76Å; W53-W81 HydrophobicContact CG-CE3 3.76Å; W53-W81 AromaticContact CG-CZ3 3.78Å; W53-W81 HydrophobicContact CG-CZ3 3.78Å; W53-W81 HydrophobicContact CH2-CB 4.14Å; W53-W81 HydrophobicContact CZ3-CB 3.69Å; W53-W81 HydrophobicContact CZ3-CE3 4.41Å; L77-W81 WeakPolarHBondContact O-CB 3.38Å; L77-W81 PolarHBondContact O-N 2.92Å; K79-W81 PolarHBondContact O-N 3.4Å; W81-A83 VanDerWaalsContact C-N 3.32Å; W81-A83 PolarHBondContact O-N 3.48Å; W81-L84 HydrophobicContact CE3-CD1 3.76Å; W81-L84 HydrophobicContact CZ3-CD1 4.08Å; W81-L84 PolarHBondContact O-N 3.49Å; W81-K89 HydrophobicContact CE3-CG 4.48Å; W81-K89 HydrophobicContact CH2-CB 4.01Å; W81-K89 HydrophobicContact CH2-CG 3.77Å; W81-K89 HydrophobicContact CZ2-CB 4.36Å; W81-K89 HydrophobicContact CZ2-CD 4.19Å; W81-K89 HydrophobicContact CZ2-CG 3.93Å; W81-K89 HydrophobicContact CZ3-CG 4.07Å; W81-K89 WeakPolarHBondContact O-CE 3.46Å; W81-K89 PolarHBondContact O-NZ 2.68Å; W81-Y92 HydrophobicContact CZ3-CD2 4.15Å; W81-Y92 HydrophobicContact CZ3-CG 4.42Å
82K98.2Very high98Very high172 Ų17273.1 Ų73.175%0.74838%0.382SS*.Hα-helixtrans-62-43.2175.5-76.5179.4176.6-169.30111.1G78 K79 S80 L84 K89G78-K82 WeakPolarHBondContact O-CG 3.36Å; G78-K82 PolarHBondContact O-N 2.92Å; K79-K82 WeakPolarHBondContact O-CB 3.46Å; K79-K82 PolarHBondContact O-N 3.43Å; K79-K82 VanDerWaalsContact O-N 3.13Å; S80-K82 VanDerWaalsContact C-N 3.31Å; S80-K82 PolarHBondContact O-N 3.05Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.43Å; K82-K89 PolarHBondContact O-NZ 3.13Å; K82-K89 VanDerWaalsContact O-NZ 3.15Å
83A98.1Very high98.1Very high81 Ų8173.4 Ų73.467%0.66939%0.388SS*.Hα-helixtrans-68.5-22.7-179.800000115K79 S80 W81 T85K79-A83 PolarHBondContact O-N 2.94Å; K79-A83 VanDerWaalsContact O-N 3.12Å; S80-A83 PolarHBondContact O-N 3.37Å; S80-A83 VanDerWaalsContact O-N 3.12Å; W81-A83 VanDerWaalsContact C-N 3.32Å; W81-A83 PolarHBondContact O-N 3.48Å; A83-T85 PolarHBondContact O-N 2.89Å
84L97.9Very high98.2Very high38 Ų3878.4 Ų78.420%0.19941%0.411CS..SBendtrans-60.9136.9174.8-66.6-178.6000111.6W53 S80 W81 K82 Q88 K89W53-L84 HydrophobicContact CD2-CD1 4.43Å; W53-L84 HydrophobicContact CZ2-CD1 4.36Å; S80-L84 PolarHBondContact O-N 3.13Å; S80-L84 VanDerWaalsContact O-N 3.07Å; W81-L84 HydrophobicContact CE3-CD1 3.76Å; W81-L84 HydrophobicContact CZ3-CD1 4.08Å; W81-L84 PolarHBondContact O-N 3.49Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.43Å; L84-Q88 HydrophobicContact CB-CB 4.22Å; L84-Q88 HydrophobicContact CD2-CB 4.3Å; L84-K89 HydrophobicContact CB-CG 3.95Å; L84-K89 WeakPolarHBondContact O-CE 3.26Å; L84-K89 PolarHBondContact O-NZ 3.49Å
85T98.4Very high98.2Very high64 Ų6479.3 Ų79.339%0.39341%0.411SS..  trans-72.4158.6175.863.10000111.3A83 P87 Q88 K89A83-T85 PolarHBondContact O-N 2.89Å; T85-P87 WeakPolarHBondContact OG1-CG 3.48Å; T85-Q88 WeakPolarHBondContact O-CB 2.85Å; T85-Q88 PolarHBondContact O-N 3.43Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.35Å; T85-Q88 PolarHBondContact OG1-OE1 3.42Å; T85-Q88 VanDerWaalsContact OG1-OE1 3.13Å; T85-K89 PolarHBondContact O-N 3.15Å
86P97.9Very high98.2Very high104 Ų10474.1 Ų74.168%0.67539%0.391SS*.Hα-helixtrans-48.9-45.7174.6-27.535.3000115.2Q88 K89 R90P86-Q88 VanDerWaalsContact C-N 3.31Å; P86-Q88 PolarHBondContact O-N 3.12Å; P86-K89 PolarHBondContact O-N 3Å; P86-K89 VanDerWaalsContact O-N 3.14Å; P86-R90 PolarHBondContact O-N 2.81Å
87P98.3Very high98.3Very high68 Ų6876.1 Ų76.144%0.44240%0.399SS..Hα-helixtrans-64.8-30.4176.724.3-34.5000113.8T85 R90T85-P87 WeakPolarHBondContact OG1-CG 3.48Å; P87-R90 PolarHBondContact O-NH1 3.41Å
88Q98.1Very high98.3Very high101 Ų10181.2 Ų81.247%0.47242%0.418SS..Hα-helixtrans-73.1-29.6173.9-69169.7-32.100112.4L84 T85 P86 Y92L84-Q88 HydrophobicContact CB-CB 4.22Å; L84-Q88 HydrophobicContact CD2-CB 4.3Å; T85-Q88 WeakPolarHBondContact O-CB 2.85Å; T85-Q88 PolarHBondContact O-N 3.43Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.35Å; T85-Q88 PolarHBondContact OG1-OE1 3.42Å; T85-Q88 VanDerWaalsContact OG1-OE1 3.13Å; P86-Q88 VanDerWaalsContact C-N 3.31Å; P86-Q88 PolarHBondContact O-N 3.12Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.46Å; Q88-Y92 VanDerWaalsContact O-CE2 3.29Å; Q88-Y92 WeakPolarHBondContact O-CE2 3.19Å
89K98.4Very high98.4Very high47 Ų4781.5 Ų81.520%0.20441%0.414CS..Hα-helixtrans-75.7-32.5175.5-72.9170.4165.7135.30112.5W81 K82 L84 T85 P86 Y92 V93W81-K89 HydrophobicContact CE3-CG 4.48Å; W81-K89 HydrophobicContact CH2-CB 4.01Å; W81-K89 HydrophobicContact CH2-CG 3.77Å; W81-K89 HydrophobicContact CZ2-CB 4.36Å; W81-K89 HydrophobicContact CZ2-CD 4.19Å; W81-K89 HydrophobicContact CZ2-CG 3.93Å; W81-K89 HydrophobicContact CZ3-CG 4.07Å; W81-K89 WeakPolarHBondContact O-CE 3.46Å; W81-K89 PolarHBondContact O-NZ 2.68Å; K82-K89 PolarHBondContact O-NZ 3.13Å; K82-K89 VanDerWaalsContact O-NZ 3.15Å; L84-K89 HydrophobicContact CB-CG 3.95Å; L84-K89 WeakPolarHBondContact O-CE 3.26Å; L84-K89 PolarHBondContact O-NZ 3.49Å; T85-K89 PolarHBondContact O-N 3.15Å; P86-K89 PolarHBondContact O-N 3Å; P86-K89 VanDerWaalsContact O-N 3.14Å; K89-Y92 PolarHBondContact O-N 3.06Å; K89-V93 PolarHBondContact O-N 3.17Å; K89-V93 VanDerWaalsContact O-N 3.16Å
90R98.4Very high98.4Very high132 Ų13282.3 Ų82.350%0.49841%0.413SS..Hα-helixtrans-46-53.9-173.6-158.8-163.3-62.9100.9-4.2115.4P86 P87 Y92 V93 E94P86-R90 PolarHBondContact O-N 2.81Å; P87-R90 PolarHBondContact O-NH1 3.41Å; R90-Y92 PolarHBondContact O-N 3.04Å; R90-Y92 VanDerWaalsContact O-N 3.16Å; R90-V93 WeakPolarHBondContact O-CA 3.06Å; R90-V93 WeakPolarHBondContact O-CB 3.42Å; R90-V93 PolarHBondContact O-N 3.4Å; R90-E94 WeakPolarHBondContact CD-OE1 3.34Å; R90-E94 HydrophobicContact CG-CG 4.49Å; R90-E94 WeakPolarHBondContact CG-OE1 3.13Å; R90-E94 PolarHBondContact O-N 2.76Å
91P98.5Very high98.4Very high63 Ų6381.9 Ų81.941%0.40941%0.408SS..Hα-helixtrans-60.8-30.2-178.223.6-35.3000113.3E95P91-E95 WeakPolarHBondContact O-CB 3.39Å; P91-E95 PolarHBondContact O-N 3.09Å
92Y98.5Very high98.4Very high82 Ų8283.3 Ų83.332%0.32242%0.416SS..Hα-helixtrans-79.1-23.9176.1-51.2-74.7000112.7A49 V52 W53 W81 Q88 K89 R90 A96A49-Y92 VanDerWaalsContact CA-O 3.24Å; A49-Y92 WeakPolarHBondContact CA-O 3.14Å; A49-Y92 VanDerWaalsContact CB-O 3.28Å; A49-Y92 WeakPolarHBondContact CB-O 3.38Å; V52-Y92 HydrophobicContact CG1-CD1 4.14Å; W53-Y92 HydrophobicContact CB-CD1 3.68Å; W53-Y92 HydrophobicContact CB-CD2 4.16Å; W53-Y92 HydrophobicContact CB-CE1 4Å; W53-Y92 HydrophobicContact CB-CE2 4.46Å; W53-Y92 HydrophobicContact CB-CG 3.77Å; W53-Y92 AromaticContact CD1-CE1 3.91Å; W53-Y92 AromaticContact CD1-CE2 3.68Å; W53-Y92 AromaticContact CD1-CZ 3.55Å; W53-Y92 HydrophobicContact CG-CD1 4.47Å; W53-Y92 HydrophobicContact CG-CD2 4.45Å; W53-Y92 HydrophobicContact CG-CE1 4.39Å; W53-Y92 HydrophobicContact CG-CE2 4.38Å; W53-Y92 HydrophobicContact CG-CG 4.5Å; W81-Y92 HydrophobicContact CZ3-CD2 4.15Å; W81-Y92 HydrophobicContact CZ3-CG 4.42Å; Q88-Y92 WeakPolarHBondContact O-CD2 3.46Å; Q88-Y92 VanDerWaalsContact O-CE2 3.29Å; Q88-Y92 WeakPolarHBondContact O-CE2 3.19Å; K89-Y92 PolarHBondContact O-N 3.06Å; R90-Y92 PolarHBondContact O-N 3.04Å; R90-Y92 VanDerWaalsContact O-N 3.16Å; Y92-A96 WeakPolarHBondContact O-CB 3.38Å; Y92-A96 PolarHBondContact O-N 3.29Å; Y92-A96 VanDerWaalsContact O-N 3.16Å
93V98.5Very high98.4Very high79 Ų7976.2 Ų76.248%0.47939%0.386SS..Hα-helixtrans-72.9-46.4171177.50000109.8A49 K89 R90 A96 E97A49-V93 HydrophobicContact CB-CB 4.46Å; A49-V93 HydrophobicContact CB-CG2 3.86Å; K89-V93 PolarHBondContact O-N 3.17Å; K89-V93 VanDerWaalsContact O-N 3.16Å; R90-V93 WeakPolarHBondContact O-CA 3.06Å; R90-V93 WeakPolarHBondContact O-CB 3.42Å; R90-V93 PolarHBondContact O-N 3.4Å; V93-A96 PolarHBondContact O-N 2.92Å; V93-E97 WeakPolarHBondContact O-CB 3.32Å; V93-E97 PolarHBondContact O-N 3.26Å
94E98.6Very high98.4Very high109 Ų10978 Ų7851%0.50938%0.382SS..Hα-helixtrans-58.9-49.7174.7-69.2161.1-175.300111.3R90 A96 E97 R98R90-E94 WeakPolarHBondContact CD-OE1 3.34Å; R90-E94 HydrophobicContact CG-CG 4.49Å; R90-E94 WeakPolarHBondContact CG-OE1 3.13Å; R90-E94 PolarHBondContact O-N 2.76Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 3.35Å; E94-E97 WeakPolarHBondContact O-CB 3.22Å; E94-E97 PolarHBondContact O-N 3.44Å; E94-E97 VanDerWaalsContact O-N 3.15Å; E94-R98 PolarHBondContact O-N 3.02Å
95E98.6Very high98.4Very high63 Ų6382.8 Ų82.829%0.29440%0.403SS..Hα-helixtrans-65-34177.7176.556.8-163.700112.9V52 P91 R98 L99V52-E95 HydrophobicContact CG1-CB 4.31Å; V52-E95 HydrophobicContact CG1-CG 3.78Å; V52-E95 HydrophobicContact CG2-CG 4.47Å; P91-E95 WeakPolarHBondContact O-CB 3.39Å; P91-E95 PolarHBondContact O-N 3.09Å; E95-R98 IonicContact OE1-CZ 3.33Å; E95-R98 IonicContact OE1-NE 3.8Å; E95-R98 IonicContact OE1-NH2 3.69Å; E95-R98 PolarHBondContact OE1-NH2 3.16Å; E95-R98 IonicContact OE2-CZ 2.7Å; E95-R98 IonicContact OE2-NE 2.66Å; E95-R98 PolarHBondContact OE2-NE 3.3Å; E95-R98 IonicContact OE2-NH2 2.77Å; E95-L99 HydrophobicContact CG-CD1 4.17Å; E95-L99 WeakPolarHBondContact O-CB 3.37Å; E95-L99 VanDerWaalsContact O-CG 3.22Å; E95-L99 WeakPolarHBondContact O-CG 3.24Å; E95-L99 PolarHBondContact O-N 2.97Å; E95-L99 WeakPolarHBondContact OE1-CG 3.43Å
96A98.6Very high98.4Very high12 Ų1283.8 Ų83.810%0.09941%0.406CS..Hα-helixtrans-72.4-28.8174.900000113.3A49 V52 Y92 V93 E94 R100A49-A96 HydrophobicContact CB-CB 4.15Å; A49-A96 VanDerWaalsContact N-CB 3.25Å; V52-A96 HydrophobicContact CG2-CB 4.16Å; Y92-A96 WeakPolarHBondContact O-CB 3.38Å; Y92-A96 PolarHBondContact O-N 3.29Å; Y92-A96 VanDerWaalsContact O-N 3.16Å; V93-A96 PolarHBondContact O-N 2.92Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 3.35Å; A96-R100 WeakPolarHBondContact O-CB 3.43Å; A96-R100 PolarHBondContact O-N 2.92Å; A96-R100 VanDerWaalsContact O-N 3.1Å
97E98.7Very high98.3Very high107 Ų10783.6 Ų83.650%0.539%0.393SS..Hα-helixtrans-68.2-51.6170.3-165.1-69.7150.700109.5V93 E94 L99 R100 V101V93-E97 WeakPolarHBondContact O-CB 3.32Å; V93-E97 PolarHBondContact O-N 3.26Å; E94-E97 WeakPolarHBondContact O-CB 3.22Å; E94-E97 PolarHBondContact O-N 3.44Å; E94-E97 VanDerWaalsContact O-N 3.15Å; E97-L99 VanDerWaalsContact C-N 3.32Å; E97-L99 PolarHBondContact O-N 3.15Å; E97-R100 CarbonylContact O-C 3.54Å; E97-R100 WeakPolarHBondContact O-CA 3.48Å; E97-R100 VanDerWaalsContact O-CB 3.3Å; E97-R100 WeakPolarHBondContact O-CB 3.32Å; E97-R100 PolarHBondContact O-N 2.94Å; E97-V101 PolarHBondContact O-N 2.92Å; E97-V101 WeakPolarHBondContact OE1-CG2 3.43Å
98R98.8Very high98.2Very high107 Ų10785.1 Ų85.140%0.40440%0.402SS..Hα-helixtrans-54.3-46.8176.2-165.6-160.566.769.53.3111.8E94 E95 R100 V101 Q102E94-R98 PolarHBondContact O-N 3.02Å; E95-R98 IonicContact OE1-CZ 3.33Å; E95-R98 IonicContact OE1-NE 3.8Å; E95-R98 IonicContact OE1-NH2 3.69Å; E95-R98 PolarHBondContact OE1-NH2 3.16Å; E95-R98 IonicContact OE2-CZ 2.7Å; E95-R98 IonicContact OE2-NE 2.66Å; E95-R98 PolarHBondContact OE2-NE 3.3Å; E95-R98 IonicContact OE2-NH2 2.77Å; R98-R100 VanDerWaalsContact C-N 3.31Å; R98-R100 PolarHBondContact O-N 3.42Å; R98-V101 PolarHBondContact O-N 2.9Å; R98-Q102 VanDerWaalsContact O-CB 3.32Å; R98-Q102 WeakPolarHBondContact O-CB 3.48Å; R98-Q102 PolarHBondContact O-N 3.36Å
99L98.6Very high98.1Very high31 Ų3187.8 Ų87.816%0.16242%0.42CS..Hα-helixtrans-64.7-31175.3-74.8170.3000113.1M47 V52 E95 E97 H103M47-L99 HydrophobicContact CB-CD1 4.31Å; M47-L99 HydrophobicContact CE-CD1 3.81Å; V52-L99 HydrophobicContact CG2-CD1 3.83Å; E95-L99 HydrophobicContact CG-CD1 4.17Å; E95-L99 WeakPolarHBondContact O-CB 3.37Å; E95-L99 VanDerWaalsContact O-CG 3.22Å; E95-L99 WeakPolarHBondContact O-CG 3.24Å; E95-L99 PolarHBondContact O-N 2.97Å; E95-L99 WeakPolarHBondContact OE1-CG 3.43Å; E97-L99 VanDerWaalsContact C-N 3.32Å; E97-L99 PolarHBondContact O-N 3.15Å; L99-H103 WeakPolarHBondContact O-CB 3.19Å; L99-H103 PolarHBondContact O-N 2.88Å; L99-H103 VanDerWaalsContact O-N 3.09Å
100R98.4Very high98Very high169 Ų16988.6 Ų88.664%0.63842%0.422SS*.Hα-helixtrans-71.7-45174.2171-172.3166.4146.9-0.5111.1A96 E97 R98 H103 M104A96-R100 WeakPolarHBondContact O-CB 3.43Å; A96-R100 PolarHBondContact O-N 2.92Å; A96-R100 VanDerWaalsContact O-N 3.1Å; E97-R100 CarbonylContact O-C 3.54Å; E97-R100 WeakPolarHBondContact O-CA 3.48Å; E97-R100 VanDerWaalsContact O-CB 3.3Å; E97-R100 WeakPolarHBondContact O-CB 3.32Å; E97-R100 PolarHBondContact O-N 2.94Å; R98-R100 VanDerWaalsContact C-N 3.31Å; R98-R100 PolarHBondContact O-N 3.42Å; R100-H103 PolarHBondContact O-N 3.16Å; R100-M104 PolarHBondContact O-N 2.86Å
101V98.4Very high97.9Very high45 Ų4589.4 Ų89.427%0.27343%0.429SS..Hα-helixtrans-63.8-49.8178.4172.10000110.2E97 R98 H103 M104 Q105E97-V101 PolarHBondContact O-N 2.92Å; E97-V101 WeakPolarHBondContact OE1-CG2 3.43Å; R98-V101 PolarHBondContact O-N 2.9Å; V101-H103 VanDerWaalsContact C-N 3.31Å; V101-H103 PolarHBondContact O-N 3.01Å; V101-M104 WeakPolarHBondContact O-CB 3.28Å; V101-M104 PolarHBondContact O-N 3.17Å; V101-Q105 WeakPolarHBondContact O-CG 3.37Å; V101-Q105 PolarHBondContact O-N 2.89Å
102Q98.4Very high97.8Very high75 Ų7592.4 Ų92.435%0.3543%0.433SS..Hα-helixtrans-55.8-46.8175.7-165.3-160.1-49.300110.9R98 M104 Q105 D106R98-Q102 VanDerWaalsContact O-CB 3.32Å; R98-Q102 WeakPolarHBondContact O-CB 3.48Å; R98-Q102 PolarHBondContact O-N 3.36Å; Q102-M104 PolarHBondContact O-N 2.78Å; Q102-Q105 WeakPolarHBondContact O-CB 3.3Å; Q102-Q105 PolarHBondContact O-N 3.08Å; Q102-Q105 VanDerWaalsContact O-N 3.09Å; Q102-D106 PolarHBondContact NE2-OD2 3.18Å; Q102-D106 WeakPolarHBondContact O-CB 3.19Å; Q102-D106 PolarHBondContact O-N 2.96Å
103H98.5Very high97.5Very high24 Ų2497 Ų9711%0.11145%0.45CS..Hα-helixtrans-62.1-29.6177.6-171.883.6000114.2I43 R44 P46 L99 R100 V101 Y107 Y110I43-H103 WeakPolarHBondContact CG2-CE1 3.5Å; R44-H103 PolarHBondContact O-CE1 2.97Å; P46-H103 HydrophobicContact CB-CB 4.02Å; P46-H103 HydrophobicContact CG-CB 4.2Å; L99-H103 WeakPolarHBondContact O-CB 3.19Å; L99-H103 PolarHBondContact O-N 2.88Å; L99-H103 VanDerWaalsContact O-N 3.09Å; R100-H103 PolarHBondContact O-N 3.16Å; V101-H103 VanDerWaalsContact C-N 3.31Å; V101-H103 PolarHBondContact O-N 3.01Å; H103-Y107 AromaticContact CE1-CD2 3.55Å; H103-Y107 AromaticContact CE1-CE2 3.93Å; H103-Y107 AromaticContact ND1-CD2 3.52Å; H103-Y107 AromaticContact ND1-CE2 3.79Å; H103-Y107 WeakPolarHBondContact O-CB 3.45Å; H103-Y107 WeakPolarHBondContact O-CD2 3.35Å; H103-Y107 PolarHBondContact O-N 3.42Å; H103-Y107 VanDerWaalsContact O-N 3.09Å; H103-Y110 AromaticContact CD2-CD1 3.9Å; H103-Y110 AromaticContact NE2-CD1 3.44Å; H103-Y110 WeakPolarHBondContact NE2-CD1 3.41Å; H103-Y110 AromaticContact NE2-CD2 3.93Å; H103-Y110 AromaticContact NE2-CE1 3.59Å; H103-Y110 AromaticContact NE2-CG 3.61Å; H103-Y110 AromaticContact NE2-CZ 3.89Å
104M97.9Very high97.3Very high118 Ų11897.5 Ų97.558%0.58146%0.455SS*.Hα-helixtrans-76-32.6175.9-173.1175.17000111.9R100 V101 Q102 Y107 P108R100-M104 PolarHBondContact O-N 2.86Å; V101-M104 WeakPolarHBondContact O-CB 3.28Å; V101-M104 PolarHBondContact O-N 3.17Å; Q102-M104 PolarHBondContact O-N 2.78Å; M104-Y107 CarbonylContact O-C 3.6Å; M104-P108 WeakPolarHBondContact O-CA 3.07Å
105Q98.1Very high96.9Very high139 Ų139102.9 Ų102.965%0.6547%0.471SS*.Hα-helixtrans-73.1-47.1173.2-66.3172.1-0.900111.4V101 Q102 Y107V101-Q105 WeakPolarHBondContact O-CG 3.37Å; V101-Q105 PolarHBondContact O-N 2.89Å; Q102-Q105 WeakPolarHBondContact O-CB 3.3Å; Q102-Q105 PolarHBondContact O-N 3.08Å; Q102-Q105 VanDerWaalsContact O-N 3.09Å; Q105-Y107 VanDerWaalsContact C-N 3.27Å; Q105-Y107 PolarHBondContact O-N 3.38Å
106D97.4Very high96.4Very high84 Ų84111.3 Ų111.345%0.44950%0.499SS..Hα-helixtrans-63.5-32.5178.2-65.3-18.3000111.9Q102Q102-D106 PolarHBondContact NE2-OD2 3.18Å; Q102-D106 WeakPolarHBondContact O-CB 3.19Å; Q102-D106 PolarHBondContact O-N 2.96Å
107Y97Very high95.8Very high101 Ų101119 Ų11940%0.39653%0.531SS..  trans-137.170.1-174.6-50.5-73.5000112.7I43 H103 M104 Q105 N109 Y110I43-Y107 HydrophobicContact CD1-CD1 3.47Å; I43-Y107 VanDerWaalsContact CD1-CD1 3.47Å; I43-Y107 HydrophobicContact CD1-CE1 3.99Å; I43-Y107 HydrophobicContact CD1-CG 3.97Å; I43-Y107 HydrophobicContact CG1-CD1 3.89Å; I43-Y107 HydrophobicContact CG1-CE1 3.92Å; I43-Y107 HydrophobicContact CG1-CG 4.39Å; I43-Y107 HydrophobicContact CG2-CD1 4.28Å; I43-Y107 HydrophobicContact CG2-CD2 3.88Å; I43-Y107 HydrophobicContact CG2-CE1 4.49Å; I43-Y107 HydrophobicContact CG2-CE2 4.11Å; I43-Y107 HydrophobicContact CG2-CG 3.96Å; H103-Y107 AromaticContact CE1-CD2 3.55Å; H103-Y107 AromaticContact CE1-CE2 3.93Å; H103-Y107 AromaticContact ND1-CD2 3.52Å; H103-Y107 AromaticContact ND1-CE2 3.79Å; H103-Y107 WeakPolarHBondContact O-CB 3.45Å; H103-Y107 WeakPolarHBondContact O-CD2 3.35Å; H103-Y107 PolarHBondContact O-N 3.42Å; H103-Y107 VanDerWaalsContact O-N 3.09Å; M104-Y107 CarbonylContact O-C 3.6Å; Q105-Y107 VanDerWaalsContact C-N 3.27Å; Q105-Y107 PolarHBondContact O-N 3.38Å; Y107-N109 PolarHBondContact O-N 2.81Å; Y107-N109 VanDerWaalsContact O-N 3.13Å; Y107-Y110 WeakPolarHBondContact O-CB 3.44Å; Y107-Y110 PolarHBondContact O-N 3.38Å
108P96.4Very high94.9Very high100 Ų100123.5 Ų123.565%0.64955%0.549SS*.THydrogen-bonded Turntrans-62.4-26.4-173.824.5-34.8000113.8M104M104-P108 WeakPolarHBondContact O-CA 3.07Å
109N95.5Very high93.3Very high157 Ų157124.6 Ų124.684%0.8456%0.558SS**THydrogen-bonded Turntrans-92.36.8176.3-52.8101.9000113.8Y107 K111Y107-N109 PolarHBondContact O-N 2.81Å; Y107-N109 VanDerWaalsContact O-N 3.13Å; N109-K111 PolarHBondContact O-N 3.09Å
110Y96.9Very high91.5Very high63 Ų63129.9 Ų129.925%0.24759%0.586CS.*  trans-65.9123.1-179.1174.3-101.1000111.9I43 R45 H103 Y107I43-Y110 HydrophobicContact CB-CD2 3.91Å; I43-Y110 HydrophobicContact CB-CE2 4.11Å; I43-Y110 HydrophobicContact CD1-CD2 4.47Å; I43-Y110 HydrophobicContact CG2-CD2 3.45Å; I43-Y110 VanDerWaalsContact CG2-CD2 3.45Å; I43-Y110 HydrophobicContact CG2-CE2 3.73Å; I43-Y110 HydrophobicContact CG2-CG 4.24Å; R45-Y110 WeakPolarHBondContact CG-OH 3.48Å; H103-Y110 AromaticContact CD2-CD1 3.9Å; H103-Y110 AromaticContact NE2-CD1 3.44Å; H103-Y110 WeakPolarHBondContact NE2-CD1 3.41Å; H103-Y110 AromaticContact NE2-CD2 3.93Å; H103-Y110 AromaticContact NE2-CE1 3.59Å; H103-Y110 AromaticContact NE2-CG 3.61Å; H103-Y110 AromaticContact NE2-CZ 3.89Å; Y107-Y110 WeakPolarHBondContact O-CB 3.44Å; Y107-Y110 PolarHBondContact O-N 3.38Å
111K95.1Very high89.7Confident150 Ų150130.5 Ų130.565%0.65259%0.593SS**  trans-125.5121.6176.2-170.5163.4-173.9164.30111N109 R113N109-K111 PolarHBondContact O-N 3.09Å; K111-R113 PolarHBondContact O-N 3.02Å; K111-R113 VanDerWaalsContact O-N 3.13Å
112Y96.2Very high87.7Confident126 Ų126136.9 Ų136.949%0.49461%0.613SS.*  trans-65.1114.5175.5178.1-126.4000110.9R45 P114R45-Y112 HydrophobicContact CG-CD2 4.36Å; Y112-P114 HydrophobicContact CD1-CG 4.2Å; Y112-P114 HydrophobicContact CE1-CG 3.66Å
113R93.8Very high85.8Confident178 Ų178139.5 Ų139.567%0.67263%0.628SS**  trans-117.399.7177.2-65.9178.9-172.3-111.47.8109.8K111 R115K111-R113 PolarHBondContact O-N 3.02Å; K111-R113 VanDerWaalsContact O-N 3.13Å; R113-R115 PolarHBondContact O-N 3.23Å
114P93.3Very high83.8Confident89 Ų89143.4 Ų143.458%0.57866%0.656SS**  trans-60.2131174.7-21.430.8000111.9Y112 R116Y112-P114 HydrophobicContact CD1-CG 4.2Å; Y112-P114 HydrophobicContact CE1-CG 3.66Å; P114-R116 PolarHBondContact O-N 3.03Å
115R90.7Very high81.9Confident223 Ų223147.1 Ų147.184%0.84267%0.669SS**  trans-83.7105178.2-171.2175.8-173.1-91.95.6110.9R113 K117R113-R115 PolarHBondContact O-N 3.23Å; R115-K117 PolarHBondContact O-N 3.05Å
116R88.4Confident80Confident239 Ų239151.6 Ų151.690%0.90268%0.68SS**PPolyproline II helixtrans-60.5122169.3-63.5-18081.81724109.2P114P114-R116 PolarHBondContact O-N 3.03Å
117K85.2Confident78Confident174 Ų174150.9 Ų150.976%0.75768%0.679SS**PPolyproline II helixtrans-77.8121.7171.3-70.3-177.1178.5179.30108.7R115 Q119R115-K117 PolarHBondContact O-N 3.05Å; K117-Q119 PolarHBondContact O-N 3.35Å
118K79.5Confident76.3Confident201 Ų201151.8 Ų151.887%0.87469%0.691SS**PPolyproline II helixtrans-62.4125.2167.9-65.3-173.6176.9-175.20108.2L120K118-L120 PolarHBondContact O-N 3.42Å
119Q65.3Low74.5Confident130 Ų130152.5 Ų152.561%0.60770%0.695SS**  trans-74.820.4-169-74.6-85.355.300115.1K117 K121K117-Q119 PolarHBondContact O-N 3.35Å; Q119-K121 PolarHBondContact O-N 2.87Å
120L61.3Low72.7Confident142 Ų142146.8 Ų146.874%0.74367%0.673SS**THydrogen-bonded Turntrans-73.3-13.1-160.5-170.255.4000116K118K118-L120 PolarHBondContact O-N 3.42Å
121K60.3Low70.9Confident182 Ų182151.9 Ų151.979%0.79170%0.697SS**THydrogen-bonded Turntrans-137.731.6-170.2-63.9-166.8176.1-171.20116Q119Q119-K121 PolarHBondContact O-N 2.87Å
122R57.1Low69.1Low180 Ų180151.5 Ų151.568%0.67970%0.701SS**SBendtrans-112.5-6.6171.6-77.7-164.6-64.5152.5-1.7115.8
123I58.4Low67.3Low130 Ų130152.8 Ų152.867%0.66772%0.716SS**SBendtrans-87.4-39.8174.8-69.1170.5000110.8K125 R126 V127I123-K125 PolarHBondContact O-N 2.88Å; I123-R126 PolarHBondContact O-N 3.1Å; I123-V127 PolarHBondContact O-N 3.13Å
124C56.2Low65.3Low105 Ų105149.9 Ų149.971%0.70972%0.723SS**THydrogen-bonded Turntrans-67.518.5179.4-47.10000116.2
125K58.4Low63Low197 Ų197148.7 Ų148.786%0.85773%0.727SS**THydrogen-bonded Turntrans-1306.1171-73.5-160.4173-1630113.3I123I123-K125 PolarHBondContact O-N 2.88Å
126R58.1Low60.9Low232 Ų232145.9 Ų145.988%0.87573%0.728SS**THydrogen-bonded Turntrans-138.22.3177.1-119.3-163.9-74.7152.4-13.6114.9I123I123-R126 PolarHBondContact O-N 3.1Å
127V55.3Low58.5Low70 Ų70139.1 Ų139.142%0.42472%0.723SS.*SBendtrans-125.6125.4164.7160.50000106.2I123 F131I123-V127 PolarHBondContact O-N 3.13Å; V127-F131 HydrophobicContact CG1-CB 4.33Å
128D60.5Low56.6Low120 Ų120136.8 Ų136.864%0.64273%0.725SS**  trans-62.6133.9168.5-172.3-71.5000109G130 F131D128-G130 PolarHBondContact O-N 3.13Å; D128-G130 PolarHBondContact OD1-N 3.09Å; D128-F131 PolarHBondContact O-N 2.93Å; D128-F131 VanDerWaalsContact O-N 3.17Å
129P59Low54.7Low115 Ų115134.6 Ų134.675%0.74772%0.724SS**G310 helixtrans-60.5-15.7-178.124.6-33.6000114.1
130G57Low53.6Low37 Ų37136.6 Ų136.638%0.38173%0.732SS.*G310 helixtrans-67.9-25.6174.500000115.2D128 L132 L133D128-G130 PolarHBondContact O-N 3.13Å; D128-G130 PolarHBondContact OD1-N 3.09Å; G130-L132 VanDerWaalsContact C-N 3.28Å; G130-L132 PolarHBondContact O-N 3.48Å; G130-L133 PolarHBondContact O-N 3.33Å
131F59.4Low52.5Low170 Ų170135.1 Ų135.175%0.74673%0.729SS**G310 helixtrans-70.3-21.8-173.5-167.6-98.4000114V127 D128V127-F131 HydrophobicContact CG1-CB 4.33Å; D128-F131 PolarHBondContact O-N 2.93Å; D128-F131 VanDerWaalsContact O-N 3.17Å
132L57.3Low51.2Low141 Ų141132 Ų13274%0.73873%0.731SS**G310 helixtrans-96-4.6-178.1-61.8-178.6000114.1G130G130-L132 VanDerWaalsContact C-N 3.28Å; G130-L132 PolarHBondContact O-N 3.48Å
133L58.4Low50.2Low154 Ų154131.3 Ų131.381%0.80674%0.739SS**THydrogen-bonded Turntrans-103.8-10.4-173.9-139.174.2000114.6G130 G135G130-L133 PolarHBondContact O-N 3.33Å; L133-G135 VanDerWaalsContact C-N 3.31Å; L133-G135 PolarHBondContact O-N 3.27Å
134S51.4Low50.2Low116 Ų116130.3 Ų130.381%0.81174%0.741SS**THydrogen-bonded Turntrans-83.62.9-179.8-53.60000114.9
135G46Very low49Very low65 Ų65133.5 Ų133.567%0.6775%0.746SS**THydrogen-bonded Turntrans-98.1-7.2-170.600000116.6L133L133-G135 VanDerWaalsContact C-N 3.31Å; L133-G135 PolarHBondContact O-N 3.27Å
136L45.8Very low47.9Very low164 Ų164130.7 Ų130.786%0.85974%0.736SS**  trans-136.877.8-172.4-66175.9000111.7
137A39.8Very low46.7Very low97 Ų97129.8 Ų129.880%0.80273%0.732SS**  trans-111.1113.5163.900000109.3
138P43.3Very low45.6Very low124 Ų124130.6 Ų130.681%0.80575%0.746SS**  trans-93.8113.2163.60.719.4000109.6
139D40Very low44.3Very low156 Ų156132.9 Ų132.983%0.83476%0.758SS**  trans-71.2124.4164.5-82.3-46.4000110.3
140H43.8Very low43Very low171 Ų171133 Ų13379%0.79276%0.761SS**  -176.6117.5126-116.2-120.2000114.5
141V36.4Very low42.1Very low111 Ų111140.2 Ų140.267%0.67379%0.785SS**  62.8125.4120.9176.50000121.9
142S34.5Very low41.8Very low118 Ų118136.2 Ų136.283%0.82578%0.776SS**  trans96.3128.3150.4-72.60000123
143L34.9Very low40.9Very low164 Ų164137.8 Ų137.886%0.85978%0.784SS**  trans-72.2-179.3163.3-83.1165.2000112.8
144P57.9Low39.9Very low110 Ų110136.7 Ų136.771%0.71478%0.779SS**  cis-131-177.1-2129.6-8.6000113.4
145E31.1Very low39.4Very low172 Ų172140.2 Ų140.280%0.80478%0.78SS**  159.2170.6123.4-165.4153.5179.200113.8
146Q35.2Very low39Very low138 Ų138143.1 Ų143.165%0.64578%0.78SS**  trans-79.9176.9-154.4-61.8175.2-15.100118.6
147R33.8Very low38.7Very low212 Ų212143.4 Ų143.480%0.878%0.777SS**  trans84.4138.9158.6-75.6-179171.978.31.2116.3
148A32.3Very low38.4Very low87 Ų87142.5 Ų142.572%0.71978%0.777SS**  cis-153.1151.5-4.500000113.8
149L33Very low38.1Very low168 Ų168141.8 Ų141.888%0.8878%0.775SS**  trans-10.7130.7152.2-65.3150.3000118.3
150S31.4Very low38Very low118 Ų118139.1 Ų139.183%0.82577%0.768SS**  178.1113.5104.855.60000114.2
151H39.1Very low37.6Very low188 Ų188138.9 Ų138.987%0.8777%0.773SS**  trans-85-178.2150.3-107-92.7000108.7
152P52.5Low37.4Very low87 Ų87137 Ų13757%0.56578%0.776SS**  cis-130.5-172.6-1935.5-17.1000112.5
153L38.4Very low37.5Very low174 Ų174138.8 Ų138.891%0.91178%0.781SS**  trans-148126.1140.9-142.3147.3000110.3
154D38.1Very low37.5Very low130 Ų130134.7 Ų134.770%0.69578%0.779SS**  trans-90.8-172.4-167.3-59.5-94.5000114.6
155K40.3Very low36.3Very low190 Ų190133.4 Ų133.483%0.82679%0.785SS**  trans96.9134.1152.1-143.6168.3-176.8171.80116.6
156D36.6Very low36.7Very low127 Ų127130 Ų13068%0.67979%0.787SS**  cis-146.5131.30.2-135.5-128.7000106.3
157E39.9Very low36.8Very low169 Ų169132.5 Ų132.579%0.7980%0.796SS**  58.9135.3102-102.6-71.672.900119.2
158G33.7Very low36.9Very low78 Ų78127.3 Ų127.380%0.80479%0.792SS**  trans154.582.9178.600000115.8
159S37Very low37Very low109 Ų109128.3 Ų128.376%0.76279%0.794SS**  trans-105.1147-171.4-171.50000114.9
160S37.7Very low37.1Very low100 Ų100125.8 Ų125.870%0.69979%0.79SS**  trans-178.6137.6137.643.30000114.6
161N36.9Very low37.4Very low167 Ų167125.7 Ų125.789%0.89379%0.79SS**  trans59.4134.2159.1-52.9-12.1000119.2
162G32.2Very low37.9Very low70 Ų70122.6 Ų122.672%0.72279%0.786SS**  cis154142.6-5.300000113
163V36.7Very low37Very low156 Ų156123.1 Ų123.195%0.94580%0.798SS**  trans87.5113.7163.8-1690000120.2
164G33.9Very low37.2Very low79 Ų79122.8 Ų122.881%0.81480%0.796SS**  trans86.9130.6142.900000117.9
165G32.8Very low37.5Very low82 Ų82122.9 Ų122.985%0.84580%0.804SS**  cis177149-4.300000109.4
166A39.1Very low37.3Very low101 Ų101119.1 Ų119.184%0.83580%0.802SS**  trans-124.6133.4-169.100000114.2
167F37.4Very low37.5Very low190 Ų190118.6 Ų118.683%0.83380%0.803SS**  trans-169.8128.4151.160.6-87000106.6
168S36.3Very low37.6Very low104 Ų104122.1 Ų122.173%0.72781%0.809SS**  92.811551.8-67.40000114.2
169S34.6Very low37.9Very low108 Ų108124.7 Ų124.776%0.75581%0.809SS**  trans58.8126.4147.458.70000121.4
170S34Very low37.9Very low114 Ų114129.1 Ų129.180%0.79782%0.815SS**  -178.513495.7-73.40000113
171S37.6Very low37.8Very low117 Ų117135.3 Ų135.382%0.81882%0.823SS**  trans-81.6163.4159.6-58.20000110.1
172P49.5Very low37.8Very low122 Ų122136 Ų13679%0.79282%0.821SS**  -149.8153.4108.636.5-20.2000117.3
173A34.3Very low38.8Very low99 Ų99138.3 Ų138.382%0.81882%0.823SS**  trans54.4137.7141.100000123.3
174L42.5Very low39Very low167 Ų167136.1 Ų136.187%0.87482%0.821SS**  trans-79.9168.9171.7-58.5169.7000112.4
175P44.4Very low39Very low132 Ų132136 Ų13686%0.85782%0.82SS**  -136179.3109.939.1-30000114.8
176S36.9Very low39.2Very low110 Ų110137.4 Ų137.477%0.76982%0.817SS**  trans-109.5168.7-164.9-170.20000114.3
177V40.6Very low39.2Very low116 Ų116137.7 Ų137.770%0.70381%0.813SS**  trans71116.3164-167.40000118.1
178R40.7Very low39.1Very low244 Ų244134.9 Ų134.992%0.92182%0.817SS**  -163.2122.6120-104.6162.5-155.3-103.72113.4
179T41.8Very low39.4Very low132 Ų132135.1 Ų135.181%0.8182%0.819SS**  trans-76.8150.8166.232.10000111.4
180F36.1Very low39.7Very low201 Ų201139.3 Ų139.388%0.88282%0.824SS**  trans-143.494.9170.6-155.5-86.2000105.8
181R35.3Very low40.2Very low230 Ų230139.7 Ų139.787%0.86882%0.817SS**  59.481.879.3-157.3-179.2-164.2-164.94.8113
182E37.6Very low40.7Very low181 Ų181139.9 Ų139.985%0.84681%0.813SS**PPolyproline II helixtrans-89.2142167.7-164.1169.817000109.7
183P53.3Low40.2Very low120 Ų120144.7 Ų144.778%0.77982%0.817SS**PPolyproline II helixtrans-82.1144.7-177.132.1-34000112.9
184A40.2Very low41.1Very low109 Ų109144.4 Ų144.490%0.90181%0.807SS**PPolyproline II helixtrans-87.2146.7174.700000112
185G33.8Very low41.5Very low77 Ų77147.9 Ų147.979%0.79481%0.81SS**  trans-165.563.9-176.100000115.6
186S37.8Very low41.4Very low111 Ų111145.3 Ų145.378%0.77681%0.807SS**  trans64.195.1158.6-1310000121.1
187S37.8Very low42Very low107 Ų107147.9 Ų147.975%0.74881%0.812SS**  46.4104.412266.50000121.1
188S36.9Very low42.3Very low131 Ų131148.3 Ų148.392%0.91682%0.817SS**  -152.5140122.5-170.80000109.6
189S42.6Very low42.7Very low110 Ų110142.8 Ų142.877%0.76981%0.811SS**  trans-110.9119.3-174.8167.30000110.2
190F40.9Very low43.1Very low196 Ų196141.7 Ų141.786%0.8681%0.806SS**  trans-154.4147.6149.8-155.8-111.5000112.5
191D44.5Very low44.1Very low121 Ų121137.9 Ų137.965%0.64780%0.801SS**  trans-57.5140.7-153-69.6-79000120.7
192T47.3Very low44.5Very low121 Ų121136 Ų13674%0.74280%0.802SS**  trans-33.8125.1146.4-590000115
193Y39Very low44.7Very low223 Ų223136 Ų13688%0.87580%0.804SS**  trans-147.4137.2139.6-105.6-83.2000110.7
194P53.1Low44.6Very low94 Ų94135.1 Ų135.161%0.6180%0.801SS**  trans-82.6155.317633.4-34.8000112.2
195Y50.8Low45.1Very low239 Ų239135.5 Ų135.594%0.93780%0.795SS**  trans7886.8-177.3-60.3-85000116.4
196G41.8Very low45.6Very low78 Ų78139.2 Ų139.280%0.80480%0.795SS**  trans-157.6131.5162.600000110.4
197L49.9Very low45.8Very low164 Ų164142 Ų14286%0.85980%0.801SS**  trans-76.6148.7174-73.7158.5000109.8T199L197-T199 PolarHBondContact O-N 3.26Å
198P46.4Very low46Very low126 Ų126140.6 Ų140.682%0.81880%0.797SS**  trans-71.2101173.929.1-33.2000110.5
199T50.6Low46.1Very low128 Ų128143.6 Ų143.679%0.78580%0.799SS**PPolyproline II helixtrans-65.9129.9161.67.80000109.1L197L197-T199 PolarHBondContact O-N 3.26Å
200P49.7Very low46Very low109 Ų109144.6 Ų144.671%0.70880%0.795SS**PPolyproline II helixtrans-63.7139.8167.9-16.830.6000109.6E202P200-E202 PolarHBondContact O-N 3.31Å
201P57.8Low45.7Very low120 Ų120142.9 Ų142.978%0.77979%0.79SS**PPolyproline II helixtrans-65.7130.6174.126.9-33.1000110.2M203P201-M203 PolarHBondContact O-N 3.12Å
202E43.3Very low45.7Very low192 Ų192143.9 Ų143.990%0.89779%0.79SS**  trans-68.9115.4169.5-67.4-157133.300109.8P200 S204P200-E202 PolarHBondContact O-N 3.31Å; E202-S204 PolarHBondContact O-N 3.36Å; E202-S204 VanDerWaalsContact O-N 3.12Å
203M41.9Very low45.3Very low179 Ų179146.2 Ų146.288%0.88279%0.793SS**  trans-78.288.1165.7-74.6-75.4-73.800108.4P201 P205P201-M203 PolarHBondContact O-N 3.12Å; M203-P205 WeakPolarHBondContact O-CD 3.35Å
204S51.1Low45.2Very low103 Ų103144.1 Ų144.172%0.7279%0.793SS**  trans-69.5122.4170.5-171.80000110E202 L206E202-S204 PolarHBondContact O-N 3.36Å; E202-S204 VanDerWaalsContact O-N 3.12Å; S204-L206 PolarHBondContact O-N 3.42Å
205P50.5Low44.9Very low117 Ų117144.4 Ų144.476%0.7680%0.795SS**  trans-98.151.7-168.139.3-36.8000113.1M203M203-P205 WeakPolarHBondContact O-CD 3.35Å
206L44.4Very low45.4Very low154 Ų154138.4 Ų138.481%0.80679%0.785SS**  trans-154.382.7171-88.9116.7000110.8S204S204-L206 PolarHBondContact O-N 3.42Å
207D41.6Very low45Very low169 Ų169139.9 Ų139.990%0.90478%0.779SS**  trans-171.2156.1138.1-127.2-53.3000110.9
208A42.1Very low44.4Very low79 Ų79141.5 Ų141.565%0.65378%0.775SS**  trans95.274.5-177.300000117.4
209M38.3Very low44Very low194 Ų194145.2 Ų145.296%0.95677%0.774SS**  trans-139.6104.1147.6-76.4-72.4130.400108.5
210D40Very low43.2Very low131 Ų131143.8 Ų143.870%0.70177%0.769SS**  trans-134.5115.5163.5173.449.4000109.5
211H36.5Very low42.4Very low160 Ų160143.9 Ų143.974%0.74177%0.768SS**  trans-176.1109.3137.6-10938.3000111
212E44.1Very low41.4Very low142 Ų142143.7 Ų143.766%0.66477%0.769SS**  53.8144.4129.8-63.3-65.7106.400122
213H37.5Very low40.8Very low170 Ų170137.6 Ų137.679%0.78776%0.758SS**  trans95.380.6166.6-52.681.7000119.5
214M38.9Very low40.6Very low179 Ų179134.4 Ų134.488%0.88275%0.753SS**  176.9156.4118.7-95.5-88.7108.700111.9
215P46.7Very low39.8Very low100 Ų100134.7 Ų134.765%0.64976%0.755SS**  trans-91.3165.6-160.937.5-36.2000114.3
216P61.3Low39Very low113 Ų113133.8 Ų133.873%0.73475%0.752SS**  trans-89.2161-172.936.4-36.4000112.6
217T33.4Very low38.8Very low109 Ų109133.1 Ų133.167%0.66975%0.754SS**  trans-167.2139141.28.30000117
218Y37.3Very low38.6Very low197 Ų197130.7 Ų130.777%0.77375%0.75SS**  trans77.197.4153.1-51-48000123.4
219Y37Very low38.1Very low204 Ų204133.1 Ų133.180%0.876%0.761SS**  trans57.2118.4130.5-70.2-70.5000123.4
220S32.8Very low38.1Very low98 Ų98129 Ų12969%0.68575%0.751SS**  41.9151.4102.7-62.60000121.3
221T32.8Very low37.8Very low111 Ų111127.5 Ų127.568%0.68175%0.751SS**  cis-174.2147.4-4.4-95.20000108.9
222S36.9Very low37.8Very low116 Ų116126 Ų12681%0.81175%0.753SS**  trans56.3150.3157.772.90000122.4
223G31.8Very low37.3Very low64 Ų64125.2 Ų125.266%0.6676%0.758SS**  131.780.411600000119.5
224S36.7Very low36.9Very low112 Ų112122.4 Ų122.478%0.78376%0.757SS**  trans61126.8135.2-56.60000123.1
225S34.6Very low36.7Very low109 Ų109119.5 Ų119.576%0.76275%0.753SS**  trans67.2128.4134.469.10000118.8
226S34.9Very low37Very low99 Ų99120.8 Ų120.869%0.69276%0.761SS**  169.5164.963.449.30000111.9
227V39.6Very low35.6Very low140 Ų140121.9 Ų121.985%0.84876%0.761SS**  trans61.6137.6157.7-63.60000123
228S38.4Very low35.6Very low117 Ų117123.7 Ų123.782%0.81876%0.762SS**  trans-85.9159.3176.2-16.60000113.3
229C31.3Very low35.6Very low130 Ų130120.8 Ų120.888%0.87876%0.755SS**  -171.2166.1123.659.30000112.2
230S37.1Very low35.7Very low109 Ų109117.9 Ų117.976%0.76275%0.749SS**  trans-104.2165.2-171-50.30000113.5
231S34.8Very low35.8Very low99 Ų99120.9 Ų120.969%0.69275%0.752SS**  trans84.9109.2144.8-57.10000120.9
232T36Very low35.8Very low128 Ų128120 Ų12079%0.78575%0.751SS**  73.9144.7126.762.90000122.4
233V33.1Very low35.7Very low125 Ų125122.6 Ų122.676%0.75875%0.75SS**  trans98.9112.1152.7-168.80000118.9
234S30.5Very low35.8Very low112 Ų112125.7 Ų125.778%0.78376%0.756SS**  trans71.9131.1146.4-63.80000124
235C32.9Very low35.8Very low118 Ų118128.3 Ų128.380%0.79776%0.756SS**  trans-71.6164.4151.3-45.90000110.5
236P53Low35.8Very low126 Ų126131 Ų13182%0.81876%0.758SS**  -130.8-172.773.610.514.2000111.3
237D32.5Very low35.7Very low136 Ų136130 Ų13073%0.72776%0.763SS**  cis167.3160.7-25.1-172.3-165.5000105.3
238E33Very low35.5Very low147 Ų147129 Ų12969%0.68776%0.763SS**  trans62.9143.4169-70.6-169.498.600119.2
239H38.7Very low36.5Very low136 Ų136129.2 Ų129.263%0.6376%0.761SS**  cis-166.6157.6-9.9-125.9-12.1000113.6
240H38.6Very low37.8Very low143 Ų143128.4 Ų128.466%0.66275%0.754SS**  trans63.7141159.8-69.361.1000117.8
241Q35Very low38.7Very low162 Ų162127.2 Ų127.276%0.75774%0.744SS**  cis-156.5178.18.3-133.2-171101.900108
242S31.6Very low38.6Very low93 Ų93132.6 Ų132.665%0.6575%0.751SS**  cis-158.1-179.29.964.90000114.6
243Q35.8Very low38.5Very low169 Ų169133.7 Ų133.779%0.7975%0.747SS**  trans-15.4142.8158.9-76174.72600119.4
244T34.3Very low38.8Very low129 Ų129133.9 Ų133.979%0.79175%0.748SS**  cis-134.3-166.416.360.20000110.2
245H35.3Very low38.9Very low168 Ų168135.1 Ų135.178%0.77875%0.746SS**  cis-153.4171.213.7147.1-72.8000111.7
246M36.3Very low38.9Very low164 Ų164138.8 Ų138.881%0.80875%0.745SS**  trans-52.1146-177.8-57.4-61.9-160.300117.7
247G31.2Very low38.1Very low78 Ų78139.5 Ų139.580%0.80475%0.747SS**  trans152.459.4158.200000117.2
248S37.2Very low38.1Very low121 Ų121140.1 Ų140.185%0.84675%0.745SS**  trans-93.9167.7-177.2-68.50000113.9
249P59.4Low38Very low120 Ų120139.4 Ų139.478%0.77975%0.751SS**  trans-113.3-124.3-149.132.2-11.8000112.2
250P58.3Low37.7Very low113 Ų113140.6 Ų140.673%0.73476%0.757SS**  cis-129.7-117.4-28.828-2.2000115.8
251P55.6Low37.4Very low85 Ų85139.8 Ų139.855%0.55276%0.756SS**  -133.9-175.5-96.838.1-18.8000119.6
252Y32.3Very low37.1Very low212 Ų212140.2 Ų140.283%0.83176%0.758SS**  trans68.7134.7153.8-55.5-52.7000121.7
253H34.3Very low37.1Very low151 Ų151141.7 Ų141.770%0.69977%0.767SS**  -158.8148.8102.2-138.8-108000113.6D255H253-D255 IonicContact CE1-OD1 3.53Å; H253-D255 IonicContact CE1-OD2 3.59Å; H253-D255 PolarHBondContact CE1-OD2 3.3Å; H253-D255 VanDerWaalsContact CE1-OD2 3.29Å; H253-D255 IonicContact CG-OD2 2.74Å; H253-D255 IonicContact ND1-OD1 2.76Å; H253-D255 IonicContact ND1-OD2 3.73Å; H253-D255 PolarHBondContact ND1-OD2 3.02Å
254T38.8Very low36.8Very low128 Ų128137.2 Ų137.279%0.78577%0.766SS**  trans-123130.5166.936.90000107.1
255D32Very low36.6Very low139 Ų139137 Ų13774%0.74377%0.77SS**  trans-131135.6169.7-82.6-59.4000112.5H253H253-D255 IonicContact CE1-OD1 3.53Å; H253-D255 IonicContact CE1-OD2 3.59Å; H253-D255 PolarHBondContact CE1-OD2 3.3Å; H253-D255 VanDerWaalsContact CE1-OD2 3.29Å; H253-D255 IonicContact CG-OD2 2.74Å; H253-D255 IonicContact ND1-OD1 2.76Å; H253-D255 IonicContact ND1-OD2 3.73Å; H253-D255 PolarHBondContact ND1-OD2 3.02Å
256Y33.1Very low36.6Very low195 Ų195133.9 Ų133.977%0.76577%0.773SS**  trans-123.9119176.1-178.9-80.3000106.3Q258Y256-Q258 HydrophobicContact CE1-CB 4.36Å
257T36.2Very low36.6Very low141 Ų141134.5 Ų134.587%0.86577%0.773SS**  trans-136.6146.216948.60000111.3
258Q32.3Very low37Very low148 Ų148139.2 Ų139.269%0.69278%0.779SS**  trans-131.7131.5-164.6169.8-171.813.600108.6Y256Y256-Q258 HydrophobicContact CE1-CB 4.36Å
259T31.3Very low36.8Very low132 Ų132137.1 Ų137.181%0.8178%0.776SS**  trans163.4121.515528.10000106.8
260Q32.7Very low35.6Very low162 Ų162139.8 Ų139.876%0.75778%0.778SS**  106.6133.455.3-93.8-69.311.900112.3
261I32.8Very low34.7Very low125 Ų125141.7 Ų141.764%0.64178%0.78SS**  trans56.8108.7165.9-2.8179.4000121.3
262H29Very low34.7Very low172 Ų172142.1 Ų142.180%0.79678%0.783SS**  176.4157.899-94.596000114.4
263C31.5Very low34.9Very low124 Ų124141.1 Ų141.184%0.83879%0.786SS**  trans-93.1164.6178.951.10000112.9
264G29.6Very low35.4Very low74 Ų74140.6 Ų140.676%0.76379%0.787SS**  trans153105.3160.500000117.9
265S30Very low36.2Very low126 Ų126139 Ų13988%0.88178%0.778SS**  trans19.9134.4154.3-66.10000123.2
266A35.1Very low36.6Very low102 Ų102140.6 Ų140.684%0.84378%0.781SS**  trans-67.2152.7161.100000112.9
267H36.4Very low36.7Very low176 Ų176138 Ų13882%0.81579%0.787SS**  trans-96.8140.4173.165.5-79000110.2
268L39.3Very low36.7Very low178 Ų178135.2 Ų135.293%0.93279%0.786SS**  trans-144.4112.6159-161.171.1000108.9
269G32.7Very low36.7Very low76 Ų76132 Ų13278%0.78479%0.792SS**  trans-85.4142.1-178.100000112.5
270H35.3Very low37Very low177 Ų177131.6 Ų131.682%0.81980%0.795SS**  trans-105.7151.9179.1-179.567.2000110.7
271I39.3Very low37.1Very low152 Ų152128.1 Ų128.178%0.77980%0.802SS**  trans-109.8137.6172.2-71.5179.3000108.4
272P53.9Low37.2Very low94 Ų94125.4 Ų125.461%0.6181%0.805SS**  trans-101.4163.9-156.938.8-36.6000115.5
273H37.8Very low37.6Very low192 Ų192125.9 Ų125.989%0.88981%0.813SS**  trans-141.6156154.1-127.3-89.6000111.3
274I44.6Very low38.1Very low139 Ų139127.6 Ų127.671%0.71381%0.812SS**  trans-144.1153-159.5-89.3172000107.5
275P55.8Low39Very low94 Ų94129.8 Ų129.861%0.6181%0.812SS**  cis-144.8-179.9-23.341-21.3000116.8
276Q39.3Very low39.4Very low173 Ų173127.1 Ų127.181%0.80881%0.805SS**  trans57.4131.1142.5-77.5175.89300123.8
277T36.8Very low40.6Very low142 Ų142128.2 Ų128.287%0.87180%0.804SS**  -176.4140.8104.1290000112.6
278G34.7Very low41.3Very low82 Ų82126 Ų12685%0.84581%0.805SS**  trans68.6134168.900000116.9
279G34.1Very low41.3Very low81 Ų81125 Ų12584%0.83580%0.8SS**  cis89.6118.526.700000110.1
280S37.3Very low41.7Very low123 Ų123126.1 Ų126.186%0.8680%0.795SS**  cis-168.414413.252.90000113.1
281G34.2Very low42.1Very low88 Ų88129 Ų12991%0.90780%0.801SS**  trans72.3148.1160.500000117.7
282G34.2Very low42Very low69 Ų69132.2 Ų132.271%0.71181%0.805SS**  cis170.4163.5-600000111.9
283L38.5Very low41Very low181 Ų181133.7 Ų133.795%0.94882%0.817SS**  trans84.4115.8169.2-50.2179.3000120.1
284I41.6Very low40.7Very low161 Ų161129.1 Ų129.183%0.82681%0.807SS**  trans-96.2160.5157.3-80.9171.4000106
285P48.3Very low40.3Very low119 Ų119128.1 Ų128.177%0.77381%0.812SS**  cis-141.3170.82724.91000119.3
286G38.5Very low39.3Very low71 Ų71129 Ų12973%0.73282%0.82SS**  90.5143.1121.800000120.2
287P59.8Low39.4Very low125 Ų125130 Ų13081%0.81282%0.823SS**  trans-98.7174.7-176.640.5-36.8000114.1
288P52.2Low39.9Very low129 Ų129128.8 Ų128.884%0.83882%0.817SS**  -140.2175.9127.137.9-24.8000115.7
289L38.8Very low40.4Very low158 Ų158130.5 Ų130.583%0.82781%0.813SS**  trans-78.3157.6-170.7-78.998.9000116.8
290S41.8Very low40.6Very low98 Ų98135 Ų13569%0.68582%0.816SS**  trans43.3123.7137.4-55.40000122
291Y41.8Very low40.6Very low239 Ų239136.7 Ų136.794%0.93781%0.81SS**  trans-142.7147.6142.7-100.5-81.2000112.1
292Y37.9Very low40.8Very low219 Ų219141 Ų14186%0.85981%0.806SS**  trans-63.9154.3176.7-95.3-113.2000113
293S32.6Very low40.6Very low124 Ų124141 Ų14187%0.86781%0.806SS**  trans-149.5124.8145.2-163.50000111.6
294S33Very low40.5Very low97 Ų97140.3 Ų140.368%0.67880%0.798SS**  trans-95.8146.2178-520000110.4
295S36Very low40.3Very low117 Ų117140.8 Ų140.882%0.81880%0.796SS**  trans-132.2109.5170.647.70000111.5
296S34.6Very low39.8Very low113 Ų113143.6 Ų143.679%0.7980%0.799SS**  trans-90.4149.6-179.2-51.70000112
297F39.8Very low39.6Very low195 Ų195143.8 Ų143.886%0.85580%0.801SS**  trans-118.3144.9162.6-79-83.4000110.4
298P48.9Very low38.7Very low116 Ų116146.9 Ų146.975%0.75380%0.804SS**  trans-100.2154.4-17337.9-34.6000114
299P45.2Very low38.5Very low118 Ų118148.8 Ų148.877%0.76681%0.806SS**  trans-105.6149.1158.935.2-27.3000112.7
300I38.1Very low38.5Very low174 Ų174144.9 Ų144.989%0.89281%0.805SS**  trans-84.6152.3177.8-70177.7000110.9
301H36.4Very low39Very low159 Ų159149.4 Ų149.474%0.73682%0.815SS**  trans-121.8164.4-170.8-129.2-92.5000114.2
302H38.9Very low38.9Very low179 Ų179146 Ų14683%0.82981%0.812SS**  trans92.3134169.8-59.5-65.1000118.6
303G30.4Very low39.4Very low68 Ų68140.8 Ų140.870%0.70181%0.808SS**  cis-178.5165.6-5.900000117.5
304H36Very low40.7Very low167 Ų167140.6 Ų140.677%0.77380%0.803SS**  trans40.3128.4152.6-10365.2000121.8
305H37.1Very low41.8Very low171 Ų171141.3 Ų141.379%0.79281%0.806SS**  -171.1111115.3-93.4-66.9000113.6
306Q38.8Very low42.7Very low179 Ų179141.2 Ų141.284%0.83680%0.802SS**  trans32.9138.6148.2-70.7174.9-60.100125.7
307G34.1Very low43.4Very low75 Ų75144.8 Ų144.877%0.77381%0.807SS**  trans105.4136.4155.500000114.3
308H41.3Very low43.7Very low190 Ų190141.8 Ų141.888%0.8880%0.804SS**  cis-149179.95.4-14656.6000110.1
309L46.5Very low43.4Very low168 Ų168145.4 Ų145.488%0.8881%0.811SS**  trans-68.9145.4-166.6-67.7155.8000116
310G40Very low43.6Very low77 Ų77143.3 Ų143.379%0.79481%0.811SS**  trans163.976.6166.600000116.2
311Q52.5Low43.9Very low192 Ų192142.7 Ų142.790%0.89780%0.804SS**  trans-78.9130.5163.1-79.2-175.1-14.900110.1
312L39.1Very low44.1Very low167 Ų167142.1 Ų142.187%0.87481%0.806SS**  trans-160.1121.1137.2-80.4-164.5000110.9
313S47.4Very low44.4Very low111 Ų111142.2 Ų142.278%0.77681%0.806SS**  trans55.3130.3158.4-55.70000122.3
314P60.9Low45.2Very low119 Ų119144.3 Ų144.377%0.77381%0.806SS**PPolyproline II helixtrans-75.7157.2163.733.9-34.2000111.9
315P56.2Low45.9Very low112 Ų112142.4 Ų142.473%0.72780%0.801SS**PPolyproline II helixtrans-71.4148.5176.830.6-35000111.9
316P54.5Low46.4Very low116 Ų116141.6 Ų141.675%0.75380%0.802SS**PPolyproline II helixtrans-71.8136.2176.629.4-34.1000111.9T318P316-T318 PolarHBondContact O-N 3.33Å
317E48.4Very low46.8Very low188 Ų188141.4 Ų141.488%0.87980%0.801SS**  trans-76.7105.3174.6-64166.3118.700110.3
318T46.2Very low47.3Very low131 Ų131143.7 Ų143.780%0.80480%0.795SS**  trans-101.480.9167.753.20000110.8P316P316-T318 PolarHBondContact O-N 3.33Å
319Q43.9Very low47.5Very low192 Ų192138 Ų13890%0.89778%0.777SS**  trans-65.2143.2157.3-68.8175.1-43.500109.2
320G49.4Very low47.5Very low74 Ų74138.3 Ų138.376%0.76377%0.774SS**SBendtrans109.323.4158.400000119.8
321H43.1Very low47.8Very low161 Ų161138 Ų13875%0.74576%0.764SS**SBendtrans-147.953.9169.6-160.4-75.8000114.4
322L41.9Very low47.6Very low148 Ų148134.6 Ų134.678%0.77575%0.748SS**SBendtrans-141-11.7173.8-122.6152.4000115T324L322-T324 VanDerWaalsContact C-N 3.34Å
323E45.6Very low48.2Very low180 Ų180134 Ų13484%0.84175%0.745SS**THydrogen-bonded Turntrans-82.7-7.7176.7-72.7168.2120.700113.8
324T47Very low48.3Very low113 Ų113135.5 Ų135.569%0.69374%0.743SS**THydrogen-bonded Turntrans-96.113.3178.7-24.40000114L322L322-T324 VanDerWaalsContact C-N 3.34Å
325L49.8Very low47.6Very low127 Ų127132.5 Ų132.567%0.66573%0.734SS**SBendtrans-119.4-8.9178.7-116.6168000114.1Q327L325-Q327 VanDerWaalsContact C-N 3.31Å
326D48.8Very low47.1Very low153 Ų153135.2 Ų135.282%0.81874%0.737SS**SBendtrans-90.64.5175.1-158.347000112.7
327Q46.2Very low47.2Very low176 Ų176134.1 Ų134.182%0.82273%0.728SS**SBendtrans-12215.7-174.7-153122.6101.800113.9L325L325-Q327 VanDerWaalsContact C-N 3.31Å
328L43.8Very low47.7Very low122 Ų122129.5 Ų129.564%0.63971%0.709SS**SBendtrans-95.7116.3166.3-69.5175.7000109.1Q330L328-Q330 PolarHBondContact O-N 2.94Å
329S45.6Very low48.4Very low71 Ų71132.3 Ų132.350%0.49771%0.705SS.*  trans-62.7135.5-178.7179.50000110.9A331 E332S329-A331 PolarHBondContact O-N 3.34Å; S329-A331 PolarHBondContact OG-N 2.93Å; S329-E332 PolarHBondContact O-N 2.92Å
330Q46.2Very low48.9Very low174 Ų174128.9 Ų128.981%0.81369%0.693SS**THydrogen-bonded Turntrans-57.3-13173.2-172.2169.966.600113.3L328L328-Q330 PolarHBondContact O-N 2.94Å
331A47Very low49.9Very low71 Ų71130.5 Ų130.559%0.58768%0.68SS**THydrogen-bonded Turntrans-77.7-25.4173.200000114.4S329 G335S329-A331 PolarHBondContact O-N 3.34Å; S329-A331 PolarHBondContact OG-N 2.93Å; A331-G335 PolarHBondContact O-N 3.49Å
332E49Very low50.7Low120 Ų120128.7 Ų128.756%0.56167%0.671SS**THydrogen-bonded Turntrans-80.2-42.1-176.4-127.9163.4174.400111S329 L334 G335S329-E332 PolarHBondContact O-N 2.92Å; E332-L334 PolarHBondContact O-N 3.05Å; E332-G335 PolarHBondContact O-N 3.08Å
333L51.9Low51.7Low155 Ų155125.2 Ų125.281%0.81265%0.653SS**THydrogen-bonded Turntrans-63.5-13.3175.6-166.964.9000114.1
334L48.6Very low52.6Low143 Ų143123 Ų12375%0.74964%0.642SS**THydrogen-bonded Turntrans-108.6-2.8173.9-64.2177000113.1E332E332-L334 PolarHBondContact O-N 3.05Å
335G46.8Very low53.5Low55 Ų55125.7 Ų125.757%0.56764%0.641SS**THydrogen-bonded Turntrans-86.9-25.7176.300000113.4A331 E332 V337A331-G335 PolarHBondContact O-N 3.49Å; E332-G335 PolarHBondContact O-N 3.08Å; G335-V337 PolarHBondContact O-N 3.07Å; G335-V337 VanDerWaalsContact O-N 3.08Å
336E46.1Very low54.3Low169 Ų169124.4 Ų124.479%0.7963%0.634SS**  trans-85.853.6-180-64.5-176.2-131.400112.9
337V55.6Low54.6Low93 Ų93123.1 Ų123.156%0.56463%0.627SS**SBendtrans-117.5106.5149.71790000105.4G335 R339 F342G335-V337 PolarHBondContact O-N 3.07Å; G335-V337 VanDerWaalsContact O-N 3.08Å; V337-R339 PolarHBondContact O-N 3.03Å; V337-R339 VanDerWaalsContact O-N 3.07Å; V337-F342 HydrophobicContact CG1-CB 4.34Å
338D58.8Low55Low92 Ų92119.2 Ų119.249%0.49262%0.62SS.*  trans-56.9120.4176.9-179.18.2000108.1N340 E341 F342D338-N340 PolarHBondContact O-N 3.06Å; D338-N340 VanDerWaalsContact O-N 3.14Å; D338-N340 WeakPolarHBondContact OD1-CB 3.48Å; D338-N340 PolarHBondContact OD1-N 3.05Å; D338-N340 PolarHBondContact OD1-OD1 2.91Å; D338-E341 HydrophobicContact CB-CB 3.98Å; D338-E341 WeakPolarHBondContact O-CA 3.39Å; D338-E341 WeakPolarHBondContact O-CB 3.38Å; D338-E341 PolarHBondContact O-N 3.14Å; D338-F342 PolarHBondContact O-N 3.4Å
339R61.4Low55.4Low190 Ų190119.2 Ų119.272%0.71763%0.625SS**Hα-helixtrans-63.4-24.1-177.7-166.1145.860.886.6-1.2110.7V337 D343V337-R339 PolarHBondContact O-N 3.03Å; V337-R339 VanDerWaalsContact O-N 3.07Å; R339-D343 WeakPolarHBondContact O-CB 3.46Å; R339-D343 PolarHBondContact O-N 3.49Å
340N54.3Low55.5Low119 Ų119119 Ų11964%0.63663%0.634SS**Hα-helixtrans-73.4-31.7172.4-63.961.4000112.9D338 Q344D338-N340 PolarHBondContact O-N 3.06Å; D338-N340 VanDerWaalsContact O-N 3.14Å; D338-N340 WeakPolarHBondContact OD1-CB 3.48Å; D338-N340 PolarHBondContact OD1-N 3.05Å; D338-N340 PolarHBondContact OD1-OD1 2.91Å; N340-Q344 VanDerWaalsContact O-CB 3.29Å; N340-Q344 WeakPolarHBondContact O-CB 3.5Å; N340-Q344 PolarHBondContact O-N 3.1Å
341E70Confident55.3Low108 Ų108113.8 Ų113.851%0.50563%0.627SS.*Hα-helixtrans-70.7-41.8172.4-174.8-179.8-174.800111D338 Q344 Y345D338-E341 HydrophobicContact CB-CB 3.98Å; D338-E341 WeakPolarHBondContact O-CA 3.39Å; D338-E341 WeakPolarHBondContact O-CB 3.38Å; D338-E341 PolarHBondContact O-N 3.14Å; E341-Q344 WeakPolarHBondContact O-CB 3.46Å; E341-Q344 PolarHBondContact O-N 3.41Å; E341-Y345 PolarHBondContact O-N 3.37Å; E341-Y345 VanDerWaalsContact O-N 3.08Å
342F60.7Low54.9Low123 Ų123114 Ų11454%0.53964%0.636SS.*Hα-helixtrans-63.9-43.6175.9-169.6-97.5000112.3V337 D338 Q344 Y345 L346V337-F342 HydrophobicContact CG1-CB 4.34Å; D338-F342 PolarHBondContact O-N 3.4Å; F342-Q344 VanDerWaalsContact C-N 3.32Å; F342-Q344 PolarHBondContact O-N 3.08Å; F342-Y345 PolarHBondContact O-N 2.92Å; F342-L346 HydrophobicContact CD1-CD1 4.15Å; F342-L346 HydrophobicContact CE1-CD1 3.8Å; F342-L346 PolarHBondContact O-N 3.38Å
343D63.7Low54Low76 Ų76118.8 Ų118.841%0.40666%0.655SS.*Hα-helixtrans-68.2-29.7174.2-77.7-23.7000112.3R339 N347R339-D343 WeakPolarHBondContact O-CB 3.46Å; R339-D343 PolarHBondContact O-N 3.49Å; D343-N347 WeakPolarHBondContact O-CB 3.29Å; D343-N347 PolarHBondContact O-N 3.23Å; D343-N347 VanDerWaalsContact O-N 3.1Å; D343-N347 PolarHBondContact O-ND2 3Å
344Q62.6Low53.1Low132 Ų132119.5 Ų119.562%0.61765%0.654SS**Hα-helixtrans-65-44.5174.1-173.5169.710300111.2N340 E341 F342 L346 N347 S348N340-Q344 VanDerWaalsContact O-CB 3.29Å; N340-Q344 WeakPolarHBondContact O-CB 3.5Å; N340-Q344 PolarHBondContact O-N 3.1Å; E341-Q344 WeakPolarHBondContact O-CB 3.46Å; E341-Q344 PolarHBondContact O-N 3.41Å; F342-Q344 VanDerWaalsContact C-N 3.32Å; F342-Q344 PolarHBondContact O-N 3.08Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 3.3Å; Q344-N347 PolarHBondContact O-N 3.28Å; Q344-S348 WeakPolarHBondContact O-CB 3.41Å; Q344-S348 PolarHBondContact O-N 3.38Å; Q344-S348 PolarHBondContact O-OG 2.85Å; Q344-S348 VanDerWaalsContact O-OG 3.13Å
345Y66.3Low52.9Low171 Ų171117.9 Ų117.967%0.67165%0.652SS**Hα-helixtrans-58.6-41.1176.6-106.1-81.6000113.5E341 F342 T349E341-Y345 PolarHBondContact O-N 3.37Å; E341-Y345 VanDerWaalsContact O-N 3.08Å; F342-Y345 PolarHBondContact O-N 2.92Å; Y345-T349 PolarHBondContact O-N 3.47Å; Y345-T349 PolarHBondContact O-OG1 2.9Å
346L66.7Low52.3Low100 Ų100122.7 Ų122.752%0.52466%0.66SS.*Hα-helixtrans-70.4-38.4178.5-69174.3000112.4F342 Q344 T349F342-L346 HydrophobicContact CD1-CD1 4.15Å; F342-L346 HydrophobicContact CE1-CD1 3.8Å; F342-L346 PolarHBondContact O-N 3.38Å; Q344-L346 VanDerWaalsContact C-N 3.33Å; Q344-L346 PolarHBondContact O-N 3.3Å; L346-T349 PolarHBondContact O-OG1 3.26Å
347N55.9Low51.8Low125 Ų125122.3 Ų122.367%0.66866%0.658SS**Hα-helixtrans-73.4-36177.6-73.4-52.5000112.4D343 Q344 T349 G350D343-N347 WeakPolarHBondContact O-CB 3.29Å; D343-N347 PolarHBondContact O-N 3.23Å; D343-N347 VanDerWaalsContact O-N 3.1Å; D343-N347 PolarHBondContact O-ND2 3Å; Q344-N347 PolarHBondContact O-N 3.28Å; N347-T349 VanDerWaalsContact C-N 3.25Å; N347-T349 PolarHBondContact O-N 3.39Å; N347-G350 PolarHBondContact O-N 3.13Å
348S54.2Low50.8Low95 Ų95122.2 Ų122.266%0.66467%0.667SS**Hα-helixtrans-67.6-19.7177.8-68.50000114.3Q344Q344-S348 WeakPolarHBondContact O-CB 3.41Å; Q344-S348 PolarHBondContact O-N 3.38Å; Q344-S348 PolarHBondContact O-OG 2.85Å; Q344-S348 VanDerWaalsContact O-OG 3.13Å
349T53Low49.6Very low122 Ų122124.1 Ų124.175%0.74869%0.688SS**THydrogen-bonded Turntrans-95.9-3.1176.236.50000114.2Y345 L346 N347Y345-T349 PolarHBondContact O-N 3.47Å; Y345-T349 PolarHBondContact O-OG1 2.9Å; L346-T349 PolarHBondContact O-OG1 3.26Å; N347-T349 VanDerWaalsContact C-N 3.25Å; N347-T349 PolarHBondContact O-N 3.39Å
350G47.9Very low48.3Very low67 Ų67118.7 Ų118.769%0.69169%0.691SS**SBendtrans-103.1-4.5-179.200000116.2N347N347-G350 PolarHBondContact O-N 3.13Å
351G41.1Very low47.5Very low64 Ų64121.9 Ų121.966%0.6670%0.704SS**  trans-90.3114-17600000113.4
352G37.5Very low46Very low75 Ų75128.5 Ų128.577%0.77372%0.724SS**  trans-63.4148.4174.600000113.4H354G352-H354 PolarHBondContact O-N 3.35Å
353F32.1Very low44.8Very low221 Ų221129.3 Ų129.397%0.96974%0.739SS**  trans-54.6126.1-178.5-75.2-101.6000113.4
354H31.6Very low43.6Very low169 Ų169132.1 Ų132.178%0.78276%0.759SS**  trans-130.2124157.1-170.9-78.6000108.6G352G352-H354 PolarHBondContact O-N 3.35Å
355P44.8Very low42.3Very low110 Ų110129.7 Ų129.771%0.71477%0.77SS**  trans-93.2116-169.833.6-31.7000112.7
356E33.3Very low40.7Very low155 Ų155128.2 Ų128.272%0.72477%0.769SS**  trans-155.9129.4149.3-119.5-152.7100.600114.4
357Q35.8Very low39.3Very low161 Ų161131 Ų13175%0.75278%0.783SS**  trans39.498.3152.3-60.9-165.388.500122
358A34.7Very low38.3Very low92 Ų92132.5 Ų132.576%0.7679%0.785SS**  60.6110.3116.500000121.8
359S34Very low37.4Very low131 Ų131134.3 Ų134.392%0.91679%0.792SS**  -162.4145.4114.6-84.70000110.4
360G34.8Very low36.5Very low76 Ų76133.1 Ų133.178%0.78480%0.795SS**  trans-110159-161.400000115.7
361M37.8Very low35.9Very low186 Ų186135.6 Ų135.692%0.91680%0.802SS**  trans-142120.4153.8-106.6158.757.500108.5
362R38.1Very low35.7Very low247 Ų247139.3 Ų139.393%0.93281%0.811SS**  trans-94124.9174.3-63-177.6-176.7-170.31.1108.2
363V34.9Very low35.8Very low141 Ų141142.4 Ų142.486%0.85582%0.816SS**  trans-118.5130.7161.5176.70000107.8
364T37.8Very low35.9Very low134 Ų134136.2 Ų136.282%0.82281%0.805SS**  trans-96.4125.3-168.955.30000111
365G35.5Very low36Very low81 Ų81134.4 Ų134.484%0.83581%0.806SS**  trans-133.196.7173.300000110.1
366H33.7Very low35.6Very low141 Ų141134.6 Ų134.665%0.65381%0.81SS**  trans-98.5107-172172.7-62000110.9Q368H366-Q368 VanDerWaalsContact CE1-CG 3.47Å; H366-Q368 WeakPolarHBondContact CE1-CG 3.47Å; H366-Q368 PolarHBondContact CE1-NE2 3.08Å; H366-Q368 PolarHBondContact NE2-NE2 2.7Å
367I35.8Very low35.7Very low159 Ų159131.8 Ų131.882%0.81581%0.814SS**  trans-123.2114.2162.1-69179.6000108.2V369I367-V369 HydrophobicContact CG2-CG2 4.4Å
368Q36.7Very low35.7Very low155 Ų155130 Ų13072%0.72482%0.818SS**  trans-86.2134.4169.8-75.1172.915.500109.3H366H366-Q368 VanDerWaalsContact CE1-CG 3.47Å; H366-Q368 WeakPolarHBondContact CE1-CG 3.47Å; H366-Q368 PolarHBondContact CE1-NE2 3.08Å; H366-Q368 PolarHBondContact NE2-NE2 2.7Å
369V35.1Very low35.8Very low134 Ų134129.7 Ų129.781%0.81282%0.817SS**  trans-128.1130.6156.9179.90000107.3I367I367-V369 HydrophobicContact CG2-CG2 4.4Å
370A33.4Very low35.6Very low97 Ų97129.7 Ų129.780%0.80282%0.815SS**  trans-75138.4-167.400000113
371S35.3Very low36.4Very low119 Ų119132.1 Ų132.183%0.83282%0.817SS**  trans-90.8115.417036.60000110.8
372T37.7Very low36.6Very low141 Ų141129 Ų12987%0.86581%0.813SS**  trans-83.2137.9171.347.70000111.5
373T38.7Very low36.6Very low141 Ų141122.2 Ų122.287%0.86580%0.804SS**  trans-73.6140.7-16950.10000115.8
374A34.4Very low37Very low90 Ų90122 Ų12274%0.74480%0.803SS**  trans-154.9101.8152.500000113.8
375T34.6Very low37.6Very low131 Ų131121.1 Ų121.180%0.80480%0.797SS**  trans49.4114.5142.249.50000123.9
376S35.2Very low38.4Very low114 Ų114125.8 Ų125.880%0.79780%0.798SS**  80.2118129.161.30000124.2
377A36.3Very low39.8Very low97 Ų97124.4 Ų124.480%0.80280%0.799SS**  trans62.4106.3148.400000119.1
378S34.9Very low41.7Very low122 Ų122119.8 Ų119.885%0.85378%0.781SS**  81.5125.773.21790000114
379A37.2Very low43.6Very low87 Ų87118.9 Ų118.972%0.71978%0.78SS**  cis-165.5140-13.700000109
380C29.8Very low45.5Very low130 Ų130118.8 Ų118.888%0.87877%0.774SS**  trans-159.5120.7167-1000000110.1
381P50.8Low47.7Very low128 Ų128117.1 Ų117.183%0.83176%0.757SS**  trans-100.288.6-178.135.9-29.7000111.9
382S43Very low50Low120 Ų120115.1 Ų115.184%0.83974%0.739SS**  trans-174.4101.6160.7-85.20000112.3
383S37.3Very low52.3Low104 Ų104113.8 Ų113.873%0.72773%0.726SS**  trans-176.6122.2139.733.50000109T385S383-T385 PolarHBondContact O-N 3.34Å
384T43.2Very low54.3Low136 Ų136109.6 Ų109.683%0.83471%0.706SS**  trans-66.499.915841.20000106.7E386T384-E386 VanDerWaalsContact C-N 3.31Å; T384-E386 PolarHBondContact O-N 3.44Å
385T50.2Low56.7Low116 Ų116111 Ų11171%0.71270%0.701SS**  trans-70.191.8175.1460000108.7S383 T387S383-T385 PolarHBondContact O-N 3.34Å; T385-T387 PolarHBondContact O-N 3.26Å
386E52.6Low58.9Low180 Ų180107.6 Ų107.684%0.84169%0.686SS**  trans-58.7106.9162.6-66.2-165.7160.900107.5T384 S388T384-E386 VanDerWaalsContact C-N 3.31Å; T384-E386 PolarHBondContact O-N 3.44Å; E386-S388 PolarHBondContact O-N 2.97Å
387T63.8Low61.1Low111 Ų111105.9 Ų105.968%0.68167%0.671SS**  trans-67.689.4175.816.60000107.9T385 L389T385-T387 PolarHBondContact O-N 3.26Å; T387-L389 PolarHBondContact O-N 3.22Å
388S74.7Confident63Low62 Ų62103.3 Ų103.343%0.43465%0.65SS.*  trans-47.2134.9179.3-174.30000110.1E386 I390 S391 V392E386-S388 PolarHBondContact O-N 2.97Å; S388-I390 PolarHBondContact O-N 3.46Å; S388-S391 WeakPolarHBondContact O-CA 3.29Å; S388-S391 WeakPolarHBondContact O-CB 3.35Å; S388-S391 PolarHBondContact O-N 2.92Å; S388-V392 PolarHBondContact O-N 3.45Å
389L78.1Confident64.8Low137 Ų137100 Ų10072%0.71763%0.63SS**Hα-helixtrans-50.8-29.9178.6-70.8167.6000112.1T387 V392 L393T387-L389 PolarHBondContact O-N 3.22Å; L389-V392 PolarHBondContact O-N 2.81Å; L389-L393 VanDerWaalsContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CD1 3.18Å; L389-L393 WeakPolarHBondContact O-CG 3.33Å; L389-L393 PolarHBondContact O-N 2.97Å
390I74.3Confident66.7Low131 Ų131102.4 Ų102.467%0.67262%0.621SS**Hα-helixtrans-62.2-43.3175.4-58.3173.2000111.5S388 A394S388-I390 PolarHBondContact O-N 3.46Å; I390-A394 VanDerWaalsContact O-CB 3.3Å; I390-A394 WeakPolarHBondContact O-CB 3.3Å; I390-A394 PolarHBondContact O-N 2.9Å
391S78.7Confident68.7Low63 Ų63104.3 Ų104.344%0.44161%0.611SS.*Hα-helixtrans-69.6-41.5177.3-56.10000111.8S388 L393 A394 D395S388-S391 WeakPolarHBondContact O-CA 3.29Å; S388-S391 WeakPolarHBondContact O-CB 3.35Å; S388-S391 PolarHBondContact O-N 2.92Å; S391-L393 VanDerWaalsContact C-N 3.33Å; S391-L393 PolarHBondContact O-N 3.35Å; S391-A394 PolarHBondContact O-N 3.21Å; S391-D395 PolarHBondContact O-N 3.3Å
392V84.6Confident69.6Low76 Ų76104.1 Ų104.146%0.46160%0.603SS.*Hα-helixtrans-62.7-41.8176.5-178.80000111.1S388 L389 A396S388-V392 PolarHBondContact O-N 3.45Å; L389-V392 PolarHBondContact O-N 2.81Å; V392-A396 WeakPolarHBondContact O-CB 3.49Å; V392-A396 PolarHBondContact O-N 3.41Å
393L84.8Confident70.5Confident114 Ų114104.5 Ų104.560%0.59760%0.596SS**Hα-helixtrans-69.4-34.4175.1-71169000112.5L389 S391 T397L389-L393 VanDerWaalsContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CB 3.3Å; L389-L393 WeakPolarHBondContact O-CD1 3.18Å; L389-L393 WeakPolarHBondContact O-CG 3.33Å; L389-L393 PolarHBondContact O-N 2.97Å; S391-L393 VanDerWaalsContact C-N 3.33Å; S391-L393 PolarHBondContact O-N 3.35Å; L393-T397 VanDerWaalsContact O-CB 3.3Å; L393-T397 WeakPolarHBondContact O-CB 3.41Å; L393-T397 PolarHBondContact O-N 3.27Å; L393-T397 PolarHBondContact O-OG1 3.35Å
394A81.4Confident71.5Confident53 Ų53107.9 Ų107.944%0.43859%0.593SS.*Hα-helixtrans-65.3-47.4174.700000111.5I390 S391 T397 A398I390-A394 VanDerWaalsContact O-CB 3.3Å; I390-A394 WeakPolarHBondContact O-CB 3.3Å; I390-A394 PolarHBondContact O-N 2.9Å; S391-A394 PolarHBondContact O-N 3.21Å; A394-T397 PolarHBondContact O-N 3.24Å; A394-A398 WeakPolarHBondContact O-CB 3.45Å; A394-A398 PolarHBondContact O-N 2.96Å
395D85.7Confident72Confident119 Ų119104.1 Ų104.164%0.63658%0.582SS**Hα-helixtrans-65.2-41.5177.5-79.6-1.2000111.8S391 T397 A398 A399S391-D395 PolarHBondContact O-N 3.3Å; D395-T397 VanDerWaalsContact C-N 3.33Å; D395-T397 PolarHBondContact O-N 3.19Å; D395-A398 PolarHBondContact O-N 3.45Å; D395-A399 WeakPolarHBondContact O-CB 3.38Å; D395-A399 PolarHBondContact O-N 2.8Å
396A79.6Confident72.2Confident60 Ų60105.8 Ų105.850%0.49659%0.585SS.*Hα-helixtrans-61.5-40.6173.900000112.1V392 A399 Y400V392-A396 WeakPolarHBondContact O-CB 3.49Å; V392-A396 PolarHBondContact O-N 3.41Å; A396-A399 PolarHBondContact O-N 3.49Å; A396-Y400 PolarHBondContact O-N 2.83Å; A396-Y400 VanDerWaalsContact O-N 3.09Å
397T81Confident71.8Confident77 Ų77106.7 Ų106.747%0.47261%0.611SS.*Hα-helixtrans-66.6-42.3175.5-57.20000111L393 A394 D395 Y400 Y401L393-T397 VanDerWaalsContact O-CB 3.3Å; L393-T397 WeakPolarHBondContact O-CB 3.41Å; L393-T397 PolarHBondContact O-N 3.27Å; L393-T397 PolarHBondContact O-OG1 3.35Å; A394-T397 PolarHBondContact O-N 3.24Å; D395-T397 VanDerWaalsContact C-N 3.33Å; D395-T397 PolarHBondContact O-N 3.19Å; T397-Y400 PolarHBondContact O-N 2.83Å; T397-Y401 HydrophobicContact CG2-CD2 3.9Å; T397-Y401 HydrophobicContact CG2-CE2 3.92Å; T397-Y401 WeakPolarHBondContact O-CD2 3.3Å; T397-Y401 PolarHBondContact O-N 2.83Å; T397-Y401 VanDerWaalsContact O-N 3.08Å
398A76.6Confident72.2Confident44 Ų44106.5 Ų106.536%0.36461%0.608SS.*Hα-helixtrans-64-42.1176.600000111.9A394 D395 Y400 Y401 N402A394-A398 WeakPolarHBondContact O-CB 3.45Å; A394-A398 PolarHBondContact O-N 2.96Å; D395-A398 PolarHBondContact O-N 3.45Å; A398-Y400 VanDerWaalsContact C-N 3.33Å; A398-Y400 PolarHBondContact O-N 3.26Å; A398-Y401 PolarHBondContact O-N 3Å; A398-N402 WeakPolarHBondContact O-CB 3.46Å; A398-N402 PolarHBondContact O-N 2.99Å; A398-N402 PolarHBondContact O-ND2 3.09Å
399A72.6Confident72Confident52 Ų52108.8 Ų108.843%0.4362%0.617SS.*Hα-helixtrans-61.9-39.917600000112D395 A396 N403D395-A399 WeakPolarHBondContact O-CB 3.38Å; D395-A399 PolarHBondContact O-N 2.8Å; A396-A399 PolarHBondContact O-N 3.49Å; A399-N403 PolarHBondContact O-N 2.81Å; A399-N403 PolarHBondContact O-ND2 3.06Å
400Y78.6Confident71.7Confident137 Ų137107.2 Ų107.254%0.53761%0.611SS.*Hα-helixtrans-60.3-54.3173.5-175.1-88.6000111.2A396 T397 A398 N402 N403 Y404A396-Y400 PolarHBondContact O-N 2.83Å; A396-Y400 VanDerWaalsContact O-N 3.09Å; T397-Y400 PolarHBondContact O-N 2.83Å; A398-Y400 VanDerWaalsContact C-N 3.33Å; A398-Y400 PolarHBondContact O-N 3.26Å; Y400-N402 VanDerWaalsContact C-N 3.34Å; Y400-N402 PolarHBondContact O-N 2.92Å; Y400-N403 PolarHBondContact O-N 2.9Å; Y400-Y404 HydrophobicContact CD1-CD2 4.09Å; Y400-Y404 HydrophobicContact CD2-CD2 4.11Å; Y400-Y404 AromaticContact CD2-CE2 3.75Å; Y400-Y404 HydrophobicContact CD2-CE2 3.75Å; Y400-Y404 AromaticContact CE1-CD2 3.88Å; Y400-Y404 HydrophobicContact CE1-CD2 3.88Å; Y400-Y404 HydrophobicContact CE1-CE2 4.23Å; Y400-Y404 AromaticContact CE2-CD2 3.93Å; Y400-Y404 HydrophobicContact CE2-CD2 3.93Å; Y400-Y404 AromaticContact CE2-CE2 3.43Å; Y400-Y404 HydrophobicContact CE2-CE2 3.43Å; Y400-Y404 VanDerWaalsContact CE2-CE2 3.43Å; Y400-Y404 HydrophobicContact CG-CD2 4.19Å; Y400-Y404 HydrophobicContact CG-CE2 4.29Å; Y400-Y404 AromaticContact CZ-CD2 3.79Å; Y400-Y404 AromaticContact CZ-CE2 3.68Å; Y400-Y404 VanDerWaalsContact O-CD2 3.29Å; Y400-Y404 WeakPolarHBondContact O-CD2 3.47Å; Y400-Y404 PolarHBondContact O-N 2.98Å
401Y71.4Confident71.5Confident171 Ų171105.8 Ų105.867%0.67161%0.608SS**Hα-helixtrans-65.9-31.1-177.6-82.5-75.3000114.2T397 A398 G405T397-Y401 HydrophobicContact CG2-CD2 3.9Å; T397-Y401 HydrophobicContact CG2-CE2 3.92Å; T397-Y401 WeakPolarHBondContact O-CD2 3.3Å; T397-Y401 PolarHBondContact O-N 2.83Å; T397-Y401 VanDerWaalsContact O-N 3.08Å; A398-Y401 PolarHBondContact O-N 3Å; Y401-G405 PolarHBondContact O-N 3.21Å
402N69Low71.1Confident123 Ų123108.5 Ų108.566%0.65862%0.618SS**Hα-helixtrans-71.9-33.5175.3-78.7-75.4000112.9A398 Y400A398-N402 WeakPolarHBondContact O-CB 3.46Å; A398-N402 PolarHBondContact O-N 2.99Å; A398-N402 PolarHBondContact O-ND2 3.09Å; Y400-N402 VanDerWaalsContact C-N 3.34Å; Y400-N402 PolarHBondContact O-N 2.92Å
403N61.5Low70.2Confident129 Ų129110.7 Ų110.769%0.6963%0.629SS**Hα-helixtrans-74.6-29.8178.2-82.9-82.7000113.5A399 Y400A399-N403 PolarHBondContact O-N 2.81Å; A399-N403 PolarHBondContact O-ND2 3.06Å; Y400-N403 PolarHBondContact O-N 2.9Å
404Y58.7Low69.2Low174 Ų174110.4 Ų110.468%0.68263%0.631SS**THydrogen-bonded Turntrans-93.611.5176.9-67.4-74.4000113.8Y400Y400-Y404 HydrophobicContact CD1-CD2 4.09Å; Y400-Y404 HydrophobicContact CD2-CD2 4.11Å; Y400-Y404 AromaticContact CD2-CE2 3.75Å; Y400-Y404 HydrophobicContact CD2-CE2 3.75Å; Y400-Y404 AromaticContact CE1-CD2 3.88Å; Y400-Y404 HydrophobicContact CE1-CD2 3.88Å; Y400-Y404 HydrophobicContact CE1-CE2 4.23Å; Y400-Y404 AromaticContact CE2-CD2 3.93Å; Y400-Y404 HydrophobicContact CE2-CD2 3.93Å; Y400-Y404 AromaticContact CE2-CE2 3.43Å; Y400-Y404 HydrophobicContact CE2-CE2 3.43Å; Y400-Y404 VanDerWaalsContact CE2-CE2 3.43Å; Y400-Y404 HydrophobicContact CG-CD2 4.19Å; Y400-Y404 HydrophobicContact CG-CE2 4.29Å; Y400-Y404 AromaticContact CZ-CD2 3.79Å; Y400-Y404 AromaticContact CZ-CE2 3.68Å; Y400-Y404 VanDerWaalsContact O-CD2 3.29Å; Y400-Y404 WeakPolarHBondContact O-CD2 3.47Å; Y400-Y404 PolarHBondContact O-N 2.98Å
405G54.6Low68.2Low58 Ų58114.8 Ų114.860%0.59865%0.646SS**SBendtrans-91.6-2.4-178.100000116Y401Y401-G405 PolarHBondContact O-N 3.21Å
406I53.1Low66.8Low151 Ų151114.5 Ų114.577%0.77465%0.646SS**  trans-129.691.8-177.2-52.9178.1000110.6
407S44.3Very low65.6Low198 Ų198119.5 Ų119.5100%1.38566%0.66SS**  trans-165.10155.1-76.20000109.2

Retrieved 407 of 407 residues in 66.5 ms (Link to these results)