A0A087Y5E1_POEFO Loading...

SRY-box transcription factor 18

AlphaFold DB , UniProt , Accession A0A087Y5E1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 520 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
1M41.3Very low45.2Very low246 Ų246155.5 Ų155.5100%1.21280%0.8SS**  0144.60-63.8170.2-177.800106.8
2N44.9Very low44.5Very low166 Ų166149.4 Ų149.489%0.88879%0.791SS**  trans-79.6155.3179.1-96.4-18.4000111.9
3L47.3Very low43.6Very low155 Ų155146.3 Ų146.381%0.81279%0.789SS**  trans176.9110.5146.1-91.9166000104.9
4T48.4Very low43Very low120 Ų120147.7 Ų147.774%0.73679%0.794SS**  8713274.4-730000112.1
5E51.7Low42.6Very low170 Ų170148.2 Ų148.279%0.79479%0.789SS**  cis-157.9-133.1-17-160.3-160.6157.200110.7
6P61Low42.9Very low86 Ų86146.3 Ų146.356%0.55879%0.788SS**  trans-122.9-179-137.944.4-27.6000116.5
7N38.7Very low42.2Very low159 Ų159141.9 Ų141.985%0.8577%0.771SS**  trans-152.7130.8130.5-118.1-103.4000112.5
8L39.1Very low41.8Very low148 Ų148143.3 Ų143.378%0.77577%0.772SS**  trans-115.6170.7167.1-90.5168.1000106.4
9P51.2Low41.5Very low114 Ų114144.5 Ų144.574%0.7477%0.774SS**  cis-124.1161.932.15.423.3000115
10R40.4Very low42Very low200 Ų200142.1 Ų142.176%0.75577%0.766SS**  76.214070.5-145.2-175.9163.7179.8-12.9111.5
11E33.8Very low41.5Very low146 Ų146144.8 Ų144.868%0.68277%0.771SS**  cis-145.3170.324.7-164.6129.9-147.100115.1
12A36.6Very low41.1Very low83 Ų83137.1 Ų137.169%0.68676%0.756SS**  trans-62.1158.1-177.600000115.1
13S33.1Very low40.4Very low109 Ų109132.8 Ų132.876%0.76275%0.75SS**  -175.615982.4-68.20000110.5
14L35.1Very low39.6Very low166 Ų166136.6 Ų136.687%0.86975%0.754SS**  cis-154.5-163-0.8-127171.9000110
15H35.9Very low39.1Very low155 Ų155142.8 Ų142.872%0.71876%0.764SS**  trans-133155.5175.3-149.6-140.7000109.2
16P47.9Very low38.4Very low118 Ų118140.9 Ų140.977%0.76676%0.764SS**  -152.413977.537.9-17.1000119.1
17S31.3Very low37.4Very low72 Ų72142.1 Ų142.150%0.50378%0.775SS.*  trans57.3101.7130.6-167.30000123.4
18Q34Very low36.9Very low167 Ų167143.8 Ų143.878%0.7878%0.777SS**  65.3115.6126.4-62-176.795.300123.9
19M36.3Very low37Very low166 Ų166142.8 Ų142.882%0.81878%0.778SS**  67.3162.9124.2-60.3-58.5-170.100121.1
20P51.3Low36.9Very low95 Ų95143.1 Ų143.162%0.61778%0.779SS**  cis-133.1-172-23.623.81.1000114.5
21F31.5Very low36.5Very low199 Ų199139 Ų13987%0.87378%0.781SS**  trans71.7111161.3-63.3-71.6000122
22G32.8Very low37.6Very low86 Ų86138.4 Ų138.489%0.88779%0.79SS**  75.3106.2104.600000122.1
23G31.1Very low37.6Very low75 Ų75138.9 Ų138.977%0.77379%0.794SS**  trans-151.8130.6151.200000107.7
24R30.5Very low37.9Very low235 Ų235139.7 Ų139.789%0.88780%0.8SS**  cis67.4110.947.3-161.7175.4-170.7-139.4-1.7113.2
25W37Very low38.1Very low249 Ų249139 Ų13994%0.94380%0.797SS**  trans-80.6146.2179-67.665.3000112
26T37.4Very low38.9Very low130 Ų130136.6 Ų136.680%0.79880%0.795SS**  trans-138.8129.3160.347.20000109.6
27S40Very low38.2Very low112 Ų112138.7 Ų138.778%0.78380%0.795SS**  trans-72.3152.3167510000111.8
28E28.8Very low38.4Very low195 Ų195142.9 Ų142.991%0.91181%0.808SS**  trans-152.7163.1141.1-79.8-138.4106.800110.6
29T41.2Very low38.2Very low127 Ų127141.4 Ų141.478%0.77981%0.806SS**  trans-113.8157.2178.3-47.10000109.2
30P48.9Very low37.9Very low120 Ų120140.9 Ų140.978%0.77980%0.799SS**  trans-141.8151.6142.136.8-23.3000115.8
31S32.7Very low36.9Very low113 Ų113143.9 Ų143.979%0.7981%0.805SS**  trans-136.4147.9153.5-59.10000108
32P55.7Low36.9Very low135 Ų135142.7 Ų142.788%0.87780%0.802SS**  -141.4179.1124.433.1-16.7000113.1
33A37.6Very low36.9Very low93 Ų93143.2 Ų143.277%0.76979%0.792SS**  trans-122.2169.4-169.400000113.5
34S38.4Very low37.2Very low125 Ų125147.7 Ų147.787%0.87480%0.798SS**  trans-170.2144.5145.9-76.90000112.1
35D40.4Very low37.3Very low153 Ų153141.3 Ų141.382%0.81879%0.789SS**  trans-87.7-179.9164.9-114.2-47.7000109.7
36P52.4Low37.1Very low104 Ų104133.6 Ų133.668%0.67578%0.778SS**  cis-151.8177.733.144.8-23.6000120.5
37E33.1Very low36.6Very low162 Ų162134.5 Ų134.576%0.75778%0.778SS**  trans74.3157.6143.1-87.8-176.4137.800123.9
38M35.4Very low36.1Very low159 Ų159134.6 Ų134.678%0.78378%0.778SS**  trans72.9157173.1-47.6-61.9176.800118.1
39D28.8Very low36.2Very low137 Ų137130.9 Ų130.973%0.73377%0.773SS**  cis-165.1172.1-47.4-149.4-49.3000108.5
40F29.9Very low35.7Very low155 Ų155130.4 Ų130.468%0.6878%0.775SS**  trans69.597.1148.6-134.1-103.4000123.4
41E31.7Very low35.9Very low158 Ų158129.6 Ų129.674%0.73877%0.77SS**  56.7172.6122.9-62.6-116.788.900124.8
42E32.2Very low35.6Very low173 Ų173131.6 Ų131.681%0.80877%0.772SS**  trans75.9102.1166.1-133.2171.912300117.8
43S31.5Very low34.5Very low98 Ų98129.1 Ų129.169%0.68576%0.762SS**  cis95.997.936.3-63.10000115.1
44L37.8Very low35.2Very low168 Ų168130.7 Ų130.788%0.8877%0.765SS**  trans-149.9142.7157.3-70.3178.7000108.9
45S32.8Very low34.8Very low102 Ų102129.6 Ų129.671%0.71376%0.763SS**  cis174.9148.7-29.946.20000107.5
46A32.3Very low34.4Very low86 Ų86130.2 Ų130.271%0.71176%0.761SS**  trans95113.3-173.900000114.1
47D27.2Very low34Very low150 Ų150130.2 Ų130.280%0.80276%0.761SS**  cis71.7135.947.1-57.9-64000113.2
48C29.5Very low34Very low114 Ų114132 Ų13277%0.7776%0.761SS**  cis-136149.125-57.50000115.6
49S30Very low33.8Very low117 Ų117135.4 Ų135.482%0.81877%0.765SS**  trans51.6125.6135.3-53.90000123.9
50S32.4Very low33.8Very low117 Ų117132.5 Ų132.582%0.81877%0.768SS**  trans-78.8-171.6152.8-124.40000111.4
51P51.3Low33.9Very low103 Ų103132.5 Ų132.567%0.66977%0.77SS**  cis-130.1-176-0.842.9-26.8000114.4
52D27Very low34.6Very low155 Ų155130.7 Ų130.783%0.82977%0.771SS**  -178.6163.2112.4-121.3-40000115.2
53A32.2Very low34.7Very low82 Ų82131.9 Ų131.968%0.67877%0.768SS**  trans-164.6-179.8172.500000109.9
54P52.9Low35Very low126 Ų126136 Ų13682%0.81878%0.779SS**  cis-125.6170.4-18.540.6-27.1000113.5
55A30.3Very low34.6Very low102 Ų102131.5 Ų131.584%0.84377%0.766SS**  trans-159.8113.5162.300000115.7
56E32.2Very low34.5Very low167 Ų167134.4 Ų134.478%0.7877%0.773SS**  trans-77.1165.8146.1-99.1-83.513000108R58E56-R58 PolarHBondContact OE2-N 3.32Å
57P44.2Very low34.7Very low103 Ų103137 Ų13767%0.66978%0.78SS**  cis-163.4171.24549.1-27.3000122.7
58R31.7Very low34.9Very low199 Ų199136.3 Ų136.375%0.75178%0.781SS**  trans80.1135.4144.3-57.4-136-173.2-152.8-0.4124.3E56E56-R58 PolarHBondContact OE2-N 3.32Å
59R31.7Very low35Very low232 Ų232134.7 Ų134.788%0.87578%0.783SS**  trans70.3135152.2-68.3173.4-169.4-88.28.3117.6
60G29.6Very low35.3Very low76 Ų76134.3 Ų134.378%0.78478%0.781SS**  cis179.9179.6-400000115.7
61E32.2Very low35.4Very low155 Ų155139.5 Ų139.572%0.72478%0.783SS**  trans-35.6160.5172.7-71.5-82.8108.900117.2R63E61-R63 WeakPolarHBondContact OE2-CB 3.46Å
62P45.8Very low34.6Very low119 Ų119137.6 Ų137.677%0.77378%0.782SS**  cis-120.3165.919.717.17.7000114.3
63R34.9Very low34.9Very low198 Ų198138.4 Ų138.475%0.74778%0.78SS**  cis93.887.531-170.6-158.3158.7128.2-2.2116.1E61E61-R63 WeakPolarHBondContact OE2-CB 3.46Å
64M36Very low34.9Very low186 Ų186140 Ų14092%0.91679%0.787SS**  trans-154.5128.3132.648.3-93.2177.200108.7
65A30.8Very low34.7Very low72 Ų72139.8 Ų139.860%0.59579%0.785SS**  cis12494.87.200000111
66L30.9Very low34.6Very low164 Ų164142 Ų14286%0.85978%0.783SS**  trans68.2145.3156.5-51.5179000115.8
67T34.8Very low35Very low140 Ų140141.4 Ų141.486%0.85978%0.784SS**  cis-135.8164.148.849.20000116.1
68V32.6Very low34.8Very low135 Ų135142.6 Ų142.682%0.81879%0.79SS**  trans-93.9145.7173.7166.50000110.1
69G31.3Very low35.5Very low80 Ų80139.3 Ų139.383%0.82579%0.794SS**  trans-156.439.9-17900000115.4
70S36.2Very low35.5Very low110 Ų110132 Ų13277%0.76979%0.791SS**  trans-78128.2-179.6-176.10000112.8
71R34.6Very low35.7Very low226 Ų226132.6 Ų132.685%0.85380%0.797SS**  trans-165.7115.1154.8-112.4172.6116.21731110.5
72G34.6Very low35.8Very low63 Ų63128 Ų12865%0.64979%0.792SS**  trans-93.9166.917000000112.7
73Q34Very low35.6Very low171 Ų171128.8 Ų128.880%0.79980%0.797SS**  trans-170125.7154.3-102.2141.5109.300109.3
74S32.8Very low35.7Very low117 Ų117128 Ų12882%0.81881%0.806SS**  trans-111.4150.4151.9-53.50000106.4
75P47.9Very low36.2Very low120 Ų120123.6 Ų123.678%0.77980%0.8SS**  -134.2-164.679.842.4-28.4000110.6
76D27.6Very low36.6Very low150 Ų150124 Ų12480%0.80281%0.811SS**  cis-148.2-176.25.5-157.90.8000111.1
77L41.6Very low37.3Very low154 Ų154121.8 Ų121.881%0.80682%0.816SS**  trans-91.8168.5-170.5-70.9170.9000116.6
78T39.9Very low37.6Very low127 Ų127118.3 Ų118.378%0.77981%0.809SS**  trans-59.8161.7178.7-5.40000115.1
79P46.9Very low38.1Very low130 Ų130119.9 Ų119.984%0.84481%0.812SS**  -140.9156.7112.638.5-27.8000115
80G31.8Very low38.8Very low79 Ų79120.2 Ų120.281%0.81482%0.815SS**  trans156.393.3171.500000113.1
81G32.4Very low39.2Very low88 Ų88124.6 Ų124.691%0.90782%0.821SS**  trans-95.4150.4-17700000114.5
82G35.1Very low39.7Very low60 Ų60116 Ų11662%0.61980%0.798SS**  trans-167.4145.4170.400000110.5L84G82-L84 PolarHBondContact O-N 2.98Å
83P41.8Very low40.3Very low134 Ų134117.9 Ų117.987%0.8780%0.801SS**  trans-78.5112.6-171.630.2-33.9000112.2A85P83-A85 PolarHBondContact O-N 3.08Å
84L36.5Very low40.8Very low181 Ų181113.9 Ų113.995%0.94881%0.806SS**  trans-82.790.2174-77.2171.5000111.5G82G82-L84 PolarHBondContact O-N 2.98Å
85A46.7Very low41.8Very low95 Ų95111.4 Ų111.479%0.78579%0.792SS**  trans-83.4145.5156.100000110.1P83P83-A85 PolarHBondContact O-N 3.08Å
86G39.1Very low42Very low81 Ų81112.7 Ų112.784%0.83579%0.788SS**  trans9198.9169.500000115.4
87A45.9Very low44.5Very low116 Ų116114.9 Ų114.996%0.95979%0.793SS**  trans-79.1125159.500000109.5
88G39.8Very low46.8Very low68 Ų68114.7 Ų114.770%0.70178%0.782SS**  trans-165.6137.5177.300000112.6G90G88-G90 PolarHBondContact O-N 3.3Å
89D43.7Very low49.4Very low168 Ų168111.9 Ų111.990%0.89876%0.761SS**  trans-63.7110.3-168.8-60.2-100.1000114.4K91D89-K91 PolarHBondContact O-N 3.18Å
90G46.1Very low51.7Low86 Ų86114.8 Ų114.889%0.88776%0.756SS**  trans-73.589179.900000114G88G88-G90 PolarHBondContact O-N 3.3Å
91K45.5Very low54.8Low202 Ų202118.5 Ų118.588%0.87875%0.745SS**  trans-147.748.1169.9-155.2161.7-173.5166.70115.1D89D89-K91 PolarHBondContact O-N 3.18Å
92A44.2Very low58Low45 Ų45116.4 Ų116.437%0.37272%0.715SS.*  trans-150.716.4-178.900000117.2G94 A95A92-G94 PolarHBondContact O-N 2.73Å; A92-A95 PolarHBondContact O-N 2.83Å
93S47.1Very low61Low103 Ų103117.3 Ų117.372%0.7270%0.704SS**THydrogen-bonded Turntrans-67.810.5-168.1520000117.6E96S93-E96 VanDerWaalsContact CA-OE2 3.26Å; S93-E96 WeakPolarHBondContact CA-OE2 3.26Å; S93-E96 VanDerWaalsContact CB-OE2 3.26Å; S93-E96 WeakPolarHBondContact CB-OE2 3.18Å
94G43.9Very low63.7Low87 Ų87115.4 Ų115.490%0.89769%0.687SS**THydrogen-bonded Turntrans-101.6-3.1166.600000114.6A92A92-G94 PolarHBondContact O-N 2.73Å
95A54.7Low66.6Low65 Ų65107.5 Ų107.554%0.53765%0.648SS.*SBendtrans-123.79.4-177.400000113.4A92 Q97 R98A92-A95 PolarHBondContact O-N 2.83Å; A95-Q97 VanDerWaalsContact C-N 3.28Å; A95-Q97 PolarHBondContact O-N 3.36Å; A95-Q97 VanDerWaalsContact O-N 3.12Å; A95-R98 PolarHBondContact O-N 2.9Å; A95-R98 VanDerWaalsContact O-N 3.16Å
96E52.3Low69.1Low147 Ų147105.1 Ų105.169%0.68762%0.62SS**THydrogen-bonded Turntrans-66.9-19.2-155.8-157.4125.7-122.200115.3S93S93-E96 VanDerWaalsContact CA-OE2 3.26Å; S93-E96 WeakPolarHBondContact CA-OE2 3.26Å; S93-E96 VanDerWaalsContact CB-OE2 3.26Å; S93-E96 WeakPolarHBondContact CB-OE2 3.18Å
97Q79.6Confident71.9Confident196 Ų196105.7 Ų105.792%0.91660%0.602SS**THydrogen-bonded Turntrans-91.5-3.3-179.8-67.7173.3-6.700113.9A95 I99A95-Q97 VanDerWaalsContact C-N 3.28Å; A95-Q97 PolarHBondContact O-N 3.36Å; A95-Q97 VanDerWaalsContact O-N 3.12Å; Q97-I99 PolarHBondContact O-N 3.03Å
98R89.2Confident74.4Confident151 Ų151101 Ų10157%0.5756%0.561SS**SBendtrans-94.698.6175-169.9-177.7-178.6165.49.1111.5A95 R100 R169A95-R98 PolarHBondContact O-N 2.9Å; A95-R98 VanDerWaalsContact O-N 3.16Å; R98-R100 PolarHBondContact O-N 2.66Å; R98-R169 PolarHBondContact NH2-O 2.81Å
99I94.3Very high77.2Confident67 Ų6799 Ų9934%0.34453%0.533SS..  trans-46.7122.2165.8-59.1167.9000110Q97 H159 H163 Y166Q97-I99 PolarHBondContact O-N 3.03Å; I99-H159 VanDerWaalsContact CG2-CE1 3.44Å; I99-H159 WeakPolarHBondContact CG2-CE1 3.42Å; I99-H163 HydrophobicContact CD1-CB 4.21Å; I99-H163 WeakPolarHBondContact CG2-CD2 3.32Å; I99-Y166 HydrophobicContact CB-CD2 3.92Å; I99-Y166 HydrophobicContact CB-CE2 3.99Å; I99-Y166 HydrophobicContact CD1-CD2 4.41Å; I99-Y166 HydrophobicContact CG2-CD2 3.41Å; I99-Y166 VanDerWaalsContact CG2-CD2 3.41Å; I99-Y166 HydrophobicContact CG2-CE2 3.57Å; I99-Y166 HydrophobicContact CG2-CG 4.43Å
100R95.8Very high79.8Confident192 Ų19291 Ų9173%0.72549%0.49SS*.  trans-76.6176.2177.7-64.7-173179.2-143.52.8110.2R98 H159R98-R100 PolarHBondContact O-N 2.66Å; R100-H159 PolarHBondContact O-CE1 2.83Å; R100-H159 PolarHBondContact O-NE2 3.15Å
101R97.9Very high82.3Confident157 Ų15792.6 Ų92.659%0.59247%0.472SS*.PPolyproline II helixtrans-84.1153.5169.4-51.9-172.9-155.4-152.95.8109.1Y168R101-Y168 VanDerWaalsContact NH1-CZ 3.31Å; R101-Y168 PolarHBondContact NH1-OH 3.18Å; R101-Y168 VanDerWaalsContact NH2-CE2 3.27Å; R101-Y168 PolarHBondContact NH2-OH 3.37Å
102P98.3Very high84.8Confident43 Ų4387.1 Ų87.128%0.27945%0.453SS..PPolyproline II helixtrans-60.7158.2159.528.8-33.3000110H159P102-H159 HydrophobicContact CB-CB 4.04Å; P102-H159 HydrophobicContact CG-CB 4.23Å
103M98.3Very high87.3Confident79 Ų7986.9 Ų86.939%0.38944%0.444SS..PPolyproline II helixtrans-80.7134.1175-63.5-173.1-64.700109.5M107 V108 L155M103-M107 HydrophobicContact CB-CB 4.04Å; M103-M107 HydrophobicContact CG-CB 4.41Å; M103-V108 HydrophobicContact CB-CG2 3.77Å; M103-V108 HydrophobicContact CE-CG2 4.35Å; M103-L155 HydrophobicContact CB-CD1 4.34Å; M103-L155 HydrophobicContact CE-CD1 3.9Å
104N98.6Very high89.8Confident94 Ų9484.5 Ų84.550%0.50342%0.419SS..PPolyproline II helixtrans-81.7168.716870.60.2000110.6F106 M107 V108N104-F106 VanDerWaalsContact C-N 3.3Å; N104-F106 PolarHBondContact O-N 2.7Å; N104-F106 VanDerWaalsContact O-N 3.17Å; N104-M107 CarbonylContact O-C 3.31Å; N104-M107 WeakPolarHBondContact O-CA 3.02Å; N104-M107 PolarHBondContact O-N 3.02Å; N104-M107 WeakPolarHBondContact OD1-CB 3.14Å; N104-M107 WeakPolarHBondContact OD1-CG 3.49Å; N104-M107 PolarHBondContact OD1-N 3.42Å; N104-M107 VanDerWaalsContact OD1-N 3.08Å; N104-V108 PolarHBondContact O-N 3.33Å
105A98.4Very high92.4Very high15 Ų1586.9 Ų86.912%0.12440%0.404CS..Hα-helixtrans-51.3-45-173.200000114.1M107 V108 W109 W137 F148 V149 A152A105-M107 PolarHBondContact O-N 3.03Å; A105-V108 PolarHBondContact O-N 2.84Å; A105-W109 PolarHBondContact O-N 3.25Å; A105-W137 HydrophobicContact CB-CH2 3.88Å; A105-W137 HydrophobicContact CB-CZ2 3.98Å; A105-F148 VanDerWaalsContact CA-O 3.27Å; A105-F148 WeakPolarHBondContact CA-O 3.46Å; A105-F148 HydrophobicContact CB-CB 4.37Å; A105-F148 WeakPolarHBondContact CB-O 3.32Å; A105-V149 HydrophobicContact CB-CB 4.41Å; A105-V149 HydrophobicContact CB-CG2 3.79Å; A105-A152 HydrophobicContact CB-CB 4.14Å; A105-A152 VanDerWaalsContact N-CB 3.29Å
106F98.6Very high94.4Very high46 Ų4689.1 Ų89.120%0.20240%0.399CS..Hα-helixtrans-60.4-42.2174.4173.3-102.4000112.6N104 W109 A110 L133 W137N104-F106 VanDerWaalsContact C-N 3.3Å; N104-F106 PolarHBondContact O-N 2.7Å; N104-F106 VanDerWaalsContact O-N 3.17Å; F106-W109 HydrophobicContact CD2-CE3 4.04Å; F106-W109 HydrophobicContact CD2-CZ3 4.15Å; F106-W109 HydrophobicContact CE2-CE3 4.14Å; F106-W109 AromaticContact CE2-CZ3 3.82Å; F106-W109 HydrophobicContact CE2-CZ3 3.82Å; F106-A110 HydrophobicContact CD2-CB 4.48Å; F106-A110 HydrophobicContact CE1-CB 4.27Å; F106-A110 HydrophobicContact CE2-CB 4.19Å; F106-A110 HydrophobicContact CZ-CB 4.07Å; F106-A110 WeakPolarHBondContact O-CA 3.26Å; F106-A110 WeakPolarHBondContact O-CB 3.25Å; F106-A110 PolarHBondContact O-N 3.17Å; F106-L133 HydrophobicContact CE2-CB 4.38Å; F106-L133 HydrophobicContact CZ-CB 4.29Å; F106-W137 HydrophobicContact CB-CD2 4.41Å; F106-W137 HydrophobicContact CD2-CB 3.7Å; F106-W137 AromaticContact CD2-CD1 3.84Å; F106-W137 AromaticContact CD2-CD2 3.97Å; F106-W137 HydrophobicContact CD2-CD2 3.97Å; F106-W137 AromaticContact CD2-CG 3.54Å; F106-W137 HydrophobicContact CD2-CG 3.54Å; F106-W137 HydrophobicContact CE2-CB 3.87Å; F106-W137 HydrophobicContact CE2-CG 4.22Å
107M98.6Very high96.5Very high92 Ų9282.9 Ų82.945%0.45337%0.37SS..Hα-helixtrans-72.5-30179.3-69.9-69.5177.800113M103 N104 A105 K111M103-M107 HydrophobicContact CB-CB 4.04Å; M103-M107 HydrophobicContact CG-CB 4.41Å; N104-M107 CarbonylContact O-C 3.31Å; N104-M107 WeakPolarHBondContact O-CA 3.02Å; N104-M107 PolarHBondContact O-N 3.02Å; N104-M107 WeakPolarHBondContact OD1-CB 3.14Å; N104-M107 WeakPolarHBondContact OD1-CG 3.49Å; N104-M107 PolarHBondContact OD1-N 3.42Å; N104-M107 VanDerWaalsContact OD1-N 3.08Å; A105-M107 PolarHBondContact O-N 3.03Å; M107-K111 PolarHBondContact O-N 3.37Å
108V98.6Very high97.4Very high18 Ų1875.2 Ų75.211%0.10934%0.34CS..Hα-helixtrans-63.6-59.9170.1179.40000109.2M103 N104 A105 A110 K111 F148 E151 A152 L155M103-V108 HydrophobicContact CB-CG2 3.77Å; M103-V108 HydrophobicContact CE-CG2 4.35Å; N104-V108 PolarHBondContact O-N 3.33Å; A105-V108 PolarHBondContact O-N 2.84Å; V108-A110 PolarHBondContact O-N 3.06Å; V108-K111 VanDerWaalsContact O-CB 3.23Å; V108-K111 WeakPolarHBondContact O-CB 3.2Å; V108-K111 PolarHBondContact O-N 3.04Å; V108-F148 HydrophobicContact CG1-CD1 4.14Å; V108-E151 HydrophobicContact CG1-CB 4.38Å; V108-E151 HydrophobicContact CG1-CG 3.8Å; V108-E151 HydrophobicContact CG2-CG 4.46Å; V108-A152 HydrophobicContact CG2-CB 4.28Å; V108-L155 HydrophobicContact CG2-CD1 3.83Å
109W98.6Very high97.8Very high27 Ų2774.5 Ų74.510%0.10235%0.347CS..Hα-helixtrans-58.1-48.6179.8169.481.2000112.9A105 F106 K111 D112 E113 L133 W137 L140 F148A105-W109 PolarHBondContact O-N 3.25Å; F106-W109 HydrophobicContact CD2-CE3 4.04Å; F106-W109 HydrophobicContact CD2-CZ3 4.15Å; F106-W109 HydrophobicContact CE2-CE3 4.14Å; F106-W109 AromaticContact CE2-CZ3 3.82Å; F106-W109 HydrophobicContact CE2-CZ3 3.82Å; W109-K111 PolarHBondContact O-N 2.95Å; W109-K111 VanDerWaalsContact O-N 3.15Å; W109-D112 PolarHBondContact O-N 3.42Å; W109-E113 HydrophobicContact CH2-CB 4.48Å; W109-E113 HydrophobicContact CH2-CG 4.06Å; W109-E113 HydrophobicContact CZ2-CB 4.1Å; W109-E113 HydrophobicContact CZ2-CG 3.73Å; W109-E113 PolarHBondContact O-N 2.74Å; W109-L133 HydrophobicContact CH2-CB 4.27Å; W109-L133 HydrophobicContact CH2-CD2 3.65Å; W109-L133 WeakPolarHBondContact CH2-O 3.42Å; W109-L133 HydrophobicContact CZ2-CD2 4.49Å; W109-L133 HydrophobicContact CZ3-CB 4Å; W109-L133 HydrophobicContact CZ3-CD2 3.75Å; W109-L133 WeakPolarHBondContact CZ3-O 3.34Å; W109-W137 HydrophobicContact CB-CE3 3.97Å; W109-W137 HydrophobicContact CB-CZ3 3.61Å; W109-W137 AromaticContact CD2-CE3 3.58Å; W109-W137 HydrophobicContact CD2-CE3 3.58Å; W109-W137 HydrophobicContact CD2-CZ3 4.12Å; W109-W137 HydrophobicContact CE3-CB 4.08Å; W109-W137 HydrophobicContact CE3-CD2 4.29Å; W109-W137 AromaticContact CE3-CE3 3.64Å; W109-W137 HydrophobicContact CE3-CE3 3.64Å; W109-W137 HydrophobicContact CE3-CZ3 4.46Å; W109-W137 AromaticContact CG-CE3 3.72Å; W109-W137 HydrophobicContact CG-CE3 3.72Å; W109-W137 AromaticContact CG-CZ3 3.73Å; W109-W137 HydrophobicContact CG-CZ3 3.73Å; W109-W137 HydrophobicContact CH2-CB 4.14Å; W109-W137 HydrophobicContact CZ3-CB 3.71Å; W109-W137 HydrophobicContact CZ3-CE3 4.41Å; W109-L140 HydrophobicContact CD2-CD1 4.42Å; W109-L140 HydrophobicContact CZ2-CD1 4.12Å; W109-F148 HydrophobicContact CB-CB 4.22Å; W109-F148 HydrophobicContact CB-CD1 3.76Å; W109-F148 HydrophobicContact CB-CD2 4.13Å; W109-F148 HydrophobicContact CB-CE1 4.15Å; W109-F148 HydrophobicContact CB-CE2 4.49Å; W109-F148 HydrophobicContact CB-CG 3.75Å; W109-F148 AromaticContact CD1-CE2 3.65Å; W109-F148 AromaticContact CD1-CZ 3.68Å; W109-F148 HydrophobicContact CG-CD2 4.4Å; W109-F148 HydrophobicContact CG-CE2 4.42Å; W109-F148 HydrophobicContact CG-CG 4.47Å
110A98.4Very high97.9Very high0 Ų076.5 Ų76.50%036%0.355CS..Hα-helixtrans-70.6-10.3-176.500000113.2F106 V108 R114 L133F106-A110 HydrophobicContact CD2-CB 4.48Å; F106-A110 HydrophobicContact CE1-CB 4.27Å; F106-A110 HydrophobicContact CE2-CB 4.19Å; F106-A110 HydrophobicContact CZ-CB 4.07Å; F106-A110 WeakPolarHBondContact O-CA 3.26Å; F106-A110 WeakPolarHBondContact O-CB 3.25Å; F106-A110 PolarHBondContact O-N 3.17Å; V108-A110 PolarHBondContact O-N 3.06Å; A110-R114 WeakPolarHBondContact O-CB 3.45Å; A110-R114 PolarHBondContact O-N 3.04Å; A110-R114 VanDerWaalsContact O-N 3.15Å; A110-R114 PolarHBondContact O-NH1 3.42Å; A110-L133 HydrophobicContact CB-CD1 4.38Å; A110-L133 HydrophobicContact CB-CD2 4.35Å
111K98Very high97.7Very high118 Ų11870.2 Ų70.251%0.51334%0.336SS..Hα-helixtrans-59.7-56.9174179-166.8167.1-156.30110.1M107 V108 W109 K115M107-K111 PolarHBondContact O-N 3.37Å; V108-K111 VanDerWaalsContact O-CB 3.23Å; V108-K111 WeakPolarHBondContact O-CB 3.2Å; V108-K111 PolarHBondContact O-N 3.04Å; W109-K111 PolarHBondContact O-N 2.95Å; W109-K111 VanDerWaalsContact O-N 3.15Å; K111-K115 PolarHBondContact O-N 3.08Å
112D97.1Very high97.6Very high88 Ų8867.8 Ų67.847%0.47134%0.341SS..Hα-helixtrans-86.6-33.1-171.7-61.1-49000111.5W109 R114 K115 R116W109-D112 PolarHBondContact O-N 3.42Å; D112-R114 PolarHBondContact O-N 3.38Å; D112-K115 WeakPolarHBondContact O-CB 3.46Å; D112-K115 PolarHBondContact O-N 2.87Å; D112-R116 PolarHBondContact O-N 3.44Å
113E97.9Very high97.5Very high39 Ų3973.2 Ų73.218%0.18237%0.367CS..Hα-helixtrans-66.8-34.8173.1-176.160.3-168.300112.3W109 K115 R116 L117 L133W109-E113 HydrophobicContact CH2-CB 4.48Å; W109-E113 HydrophobicContact CH2-CG 4.06Å; W109-E113 HydrophobicContact CZ2-CB 4.1Å; W109-E113 HydrophobicContact CZ2-CG 3.73Å; W109-E113 PolarHBondContact O-N 2.74Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.47Å; E113-R116 VanDerWaalsContact CD-NE 3.31Å; E113-R116 WeakPolarHBondContact O-CB 3.38Å; E113-R116 PolarHBondContact O-N 2.9Å; E113-R116 IonicContact OE1-CZ 3.59Å; E113-R116 IonicContact OE1-NE 3.34Å; E113-R116 PolarHBondContact OE1-NE 3.34Å; E113-R116 VanDerWaalsContact OE1-NE 3.14Å; E113-R116 IonicContact OE1-NH2 3.48Å; E113-R116 PolarHBondContact OE1-NH2 2.74Å; E113-R116 WeakPolarHBondContact OE2-CD 3.43Å; E113-R116 IonicContact OE2-CZ 3.63Å; E113-R116 IonicContact OE2-NE 2.71Å; E113-R116 PolarHBondContact OE2-NE 2.89Å; E113-R116 IonicContact OE2-NH2 3.66Å; E113-L117 HydrophobicContact CG-CD1 4.47Å; E113-L117 WeakPolarHBondContact O-CG 3.39Å; E113-L117 PolarHBondContact O-N 3.41Å; E113-L133 HydrophobicContact CB-CD2 3.74Å; E113-L133 HydrophobicContact CG-CD2 3.42Å; E113-L133 VanDerWaalsContact CG-CD2 3.42Å
114R98.3Very high97.4Very high53 Ų5372.4 Ų72.420%0.236%0.364CS..Hα-helixtrans-63.2-41.4171.2-173.2-176.8-66.299.5-2.3111.5A110 D112 L117 A118 N126 L129 L133A110-R114 WeakPolarHBondContact O-CB 3.45Å; A110-R114 PolarHBondContact O-N 3.04Å; A110-R114 VanDerWaalsContact O-N 3.15Å; A110-R114 PolarHBondContact O-NH1 3.42Å; D112-R114 PolarHBondContact O-N 3.38Å; R114-L117 PolarHBondContact O-N 2.94Å; R114-A118 VanDerWaalsContact O-CB 3.27Å; R114-A118 WeakPolarHBondContact O-CB 3.21Å; R114-A118 PolarHBondContact O-N 2.81Å; R114-N126 WeakPolarHBondContact CD-OD1 3.36Å; R114-L129 HydrophobicContact CG-CD1 4.38Å; R114-L133 HydrophobicContact CB-CD1 3.61Å; R114-L133 HydrophobicContact CG-CD1 3.94Å
115K98.1Very high97.3Very high137 Ų13774.4 Ų74.460%0.59637%0.37SS*.Hα-helixtrans-62.3-44.5175.7-175.7-176176.6-174.10110.3K111 D112 E113 A118 L119K111-K115 PolarHBondContact O-N 3.08Å; D112-K115 WeakPolarHBondContact O-CB 3.46Å; D112-K115 PolarHBondContact O-N 2.87Å; E113-K115 VanDerWaalsContact C-N 3.34Å; E113-K115 PolarHBondContact O-N 3.47Å; K115-A118 PolarHBondContact O-N 3.14Å; K115-L119 HydrophobicContact CG-CD1 4.15Å; K115-L119 WeakPolarHBondContact O-CD1 3.33Å; K115-L119 VanDerWaalsContact O-CG 3.3Å; K115-L119 WeakPolarHBondContact O-CG 3.47Å; K115-L119 PolarHBondContact O-N 3.15Å
116R97.9Very high97.2Very high113 Ų11377.9 Ų77.943%0.42639%0.387SS..Hα-helixtrans-57.2-51.5175.3-160.3-168.968.582.11.3111.3D112 E113 L119 Q120D112-R116 PolarHBondContact O-N 3.44Å; E113-R116 VanDerWaalsContact CD-NE 3.31Å; E113-R116 WeakPolarHBondContact O-CB 3.38Å; E113-R116 PolarHBondContact O-N 2.9Å; E113-R116 IonicContact OE1-CZ 3.59Å; E113-R116 IonicContact OE1-NE 3.34Å; E113-R116 PolarHBondContact OE1-NE 3.34Å; E113-R116 VanDerWaalsContact OE1-NE 3.14Å; E113-R116 IonicContact OE1-NH2 3.48Å; E113-R116 PolarHBondContact OE1-NH2 2.74Å; E113-R116 WeakPolarHBondContact OE2-CD 3.43Å; E113-R116 IonicContact OE2-CZ 3.63Å; E113-R116 IonicContact OE2-NE 2.71Å; E113-R116 PolarHBondContact OE2-NE 2.89Å; E113-R116 IonicContact OE2-NH2 3.66Å; R116-L119 PolarHBondContact O-N 3.03Å; R116-Q120 VanDerWaalsContact C-NE2 3.34Å; R116-Q120 PolarHBondContact O-N 3.43Å; R116-Q120 PolarHBondContact O-NE2 3.47Å
117L96.9Very high97.1Very high15 Ų1578.9 Ų78.98%0.07940%0.403CS..Hα-helixtrans-65.9-39.8-179.4-69.2174.5000113E113 R114 L119 Q120 N121 L129 L133E113-L117 HydrophobicContact CG-CD1 4.47Å; E113-L117 WeakPolarHBondContact O-CG 3.39Å; E113-L117 PolarHBondContact O-N 3.41Å; R114-L117 PolarHBondContact O-N 2.94Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.15Å; L117-Q120 PolarHBondContact O-N 3.03Å; L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 PolarHBondContact O-N 2.9Å; L117-N121 PolarHBondContact O-ND2 2.92Å; L117-L129 HydrophobicContact CB-CD2 4.05Å; L117-L133 HydrophobicContact CD1-CD2 4.02Å; L117-L133 HydrophobicContact CD1-CG 4.14Å
118A97.4Very high97.1Very high35 Ų3577.7 Ų77.729%0.28940%0.401SS..Hα-helixtrans-67.1-31.5177.500000113.1R114 K115 N121 P122 L129R114-A118 VanDerWaalsContact O-CB 3.27Å; R114-A118 WeakPolarHBondContact O-CB 3.21Å; R114-A118 PolarHBondContact O-N 2.81Å; K115-A118 PolarHBondContact O-N 3.14Å; A118-N121 CarbonylContact O-C 3.41Å; A118-N121 VanDerWaalsContact O-C 3.31Å; A118-N121 PolarHBondContact O-N 2.93Å; A118-P122 WeakPolarHBondContact O-CA 3.48Å; A118-L129 HydrophobicContact CB-CD1 3.89Å
119L97.1Very high97Very high136 Ų13676.9 Ų76.971%0.71240%0.396SS*.Hα-helixtrans-68.5-34.8173.4-76163.9000112.6K115 R116 L117K115-L119 HydrophobicContact CG-CD1 4.15Å; K115-L119 WeakPolarHBondContact O-CD1 3.33Å; K115-L119 VanDerWaalsContact O-CG 3.3Å; K115-L119 WeakPolarHBondContact O-CG 3.47Å; K115-L119 PolarHBondContact O-N 3.15Å; R116-L119 PolarHBondContact O-N 3.03Å; L117-L119 VanDerWaalsContact C-N 3.34Å; L117-L119 PolarHBondContact O-N 3.15Å
120Q96.3Very high97Very high109 Ų10978 Ų7851%0.50941%0.408SS..Hα-helixtrans-78.3-26.6174.4-75.7154.8100.500112.8R116 L117R116-Q120 VanDerWaalsContact C-NE2 3.34Å; R116-Q120 PolarHBondContact O-N 3.43Å; R116-Q120 PolarHBondContact O-NE2 3.47Å; L117-Q120 PolarHBondContact O-N 3.03Å
121N93.3Very high97Very high61 Ų6185.1 Ų85.133%0.32644%0.439SS..  trans-137.471-171.1-53.1-97.5000110.3L117 A118 D123 L124L117-N121 WeakPolarHBondContact O-CB 3.47Å; L117-N121 PolarHBondContact O-N 2.9Å; L117-N121 PolarHBondContact O-ND2 2.92Å; A118-N121 CarbonylContact O-C 3.41Å; A118-N121 VanDerWaalsContact O-C 3.31Å; A118-N121 PolarHBondContact O-N 2.93Å; N121-D123 PolarHBondContact O-N 3.5Å; N121-L124 HydrophobicContact CB-CB 4Å; N121-L124 HydrophobicContact CB-CD1 3.56Å; N121-L124 HydrophobicContact CB-CG 3.74Å; N121-L124 PolarHBondContact O-N 3.24Å; N121-L124 VanDerWaalsContact O-N 3.11Å
122P94.5Very high97Very high106 Ų10682.6 Ų82.669%0.68843%0.43SS*.THydrogen-bonded Turntrans-61.3-28.9-174.224.5-34.6000113.3A118A118-P122 WeakPolarHBondContact O-CA 3.48Å
123D96.3Very high97.1Very high157 Ų15778.4 Ų78.484%0.8441%0.407SS*.THydrogen-bonded Turntrans-80.2-13-179.8-52.2-59.8000113.8N121 H125N121-D123 PolarHBondContact O-N 3.5Å; D123-H125 PolarHBondContact O-N 2.96Å
124L95.9Very high97.1Very high61 Ų6177.7 Ų77.732%0.31941%0.41SS..SBendtrans-77.5115.1-178.1-76.8-174.6000112N121 V128 L129 M132N121-L124 HydrophobicContact CB-CB 4Å; N121-L124 HydrophobicContact CB-CD1 3.56Å; N121-L124 HydrophobicContact CB-CG 3.74Å; N121-L124 PolarHBondContact O-N 3.24Å; N121-L124 VanDerWaalsContact O-N 3.11Å; L124-V128 HydrophobicContact CD2-CG1 4.36Å; L124-L129 HydrophobicContact CB-CD2 3.78Å; L124-L129 HydrophobicContact CB-CG 4.26Å; L124-L129 HydrophobicContact CD1-CD2 4.01Å; L124-M132 HydrophobicContact CD1-SD 4.4Å
125H97.1Very high97.1Very high136 Ų13681 Ų8163%0.6343%0.428SS*.  trans-60.9142.3177.9-171.470000112.6D123 A127 V128 L129D123-H125 PolarHBondContact O-N 2.96Å; H125-A127 PolarHBondContact O-N 2.94Å; H125-V128 WeakPolarHBondContact O-CB 3.48Å; H125-V128 PolarHBondContact O-N 3.01Å; H125-L129 PolarHBondContact O-N 3.49Å
126N96.1Very high97.1Very high89 Ų8977 Ų7748%0.47642%0.418SS..Hα-helixtrans-57.2-24.3-171.9-89.1-88.6000115.2R114 S130R114-N126 WeakPolarHBondContact CD-OD1 3.36Å; N126-S130 VanDerWaalsContact O-CB 3.31Å; N126-S130 WeakPolarHBondContact O-CB 3.49Å; N126-S130 PolarHBondContact O-N 3.07Å; N126-S130 PolarHBondContact O-OG 3.12Å
127A97.6Very high97.1Very high66 Ų6673.9 Ų73.955%0.54541%0.406SS..Hα-helixtrans-67-39172.200000112.6H125 S130 K131H125-A127 PolarHBondContact O-N 2.94Å; A127-S130 PolarHBondContact O-N 3.5Å; A127-K131 PolarHBondContact O-N 3.48Å
128V97.4Very high97.2Very high68 Ų6881.3 Ų81.341%0.41244%0.438SS..Hα-helixtrans-67.3-48.4176.3-174.60000109.8L124 H125 S130 K131 M132L124-V128 HydrophobicContact CD2-CG1 4.36Å; H125-V128 WeakPolarHBondContact O-CB 3.48Å; H125-V128 PolarHBondContact O-N 3.01Å; V128-S130 VanDerWaalsContact C-N 3.26Å; V128-S130 PolarHBondContact O-N 3Å; V128-K131 WeakPolarHBondContact O-CB 3.36Å; V128-K131 PolarHBondContact O-N 3.2Å; V128-M132 HydrophobicContact CG1-SD 4.37Å; V128-M132 PolarHBondContact O-N 3.48Å
129L97.6Very high97.2Very high1 Ų183.9 Ų83.91%0.00546%0.459CS..Hα-helixtrans-55.3-43.3174.1-58.9-176.6000111.3R114 L117 A118 L124 H125 K131 M132 L133R114-L129 HydrophobicContact CG-CD1 4.38Å; L117-L129 HydrophobicContact CB-CD2 4.05Å; A118-L129 HydrophobicContact CB-CD1 3.89Å; L124-L129 HydrophobicContact CB-CD2 3.78Å; L124-L129 HydrophobicContact CB-CG 4.26Å; L124-L129 HydrophobicContact CD1-CD2 4.01Å; H125-L129 PolarHBondContact O-N 3.49Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 3.41Å; L129-M132 PolarHBondContact O-N 2.79Å; L129-L133 WeakPolarHBondContact O-CB 3.26Å; L129-L133 VanDerWaalsContact O-CD1 3.31Å; L129-L133 WeakPolarHBondContact O-CD1 3.44Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 2.93Å
130S98.2Very high97.2Very high49 Ų4979.7 Ų79.734%0.34344%0.437SS..Hα-helixtrans-66.4-30.2178.3-590000113.5N126 A127 V128 G134N126-S130 VanDerWaalsContact O-CB 3.31Å; N126-S130 WeakPolarHBondContact O-CB 3.49Å; N126-S130 PolarHBondContact O-N 3.07Å; N126-S130 PolarHBondContact O-OG 3.12Å; A127-S130 PolarHBondContact O-N 3.5Å; V128-S130 VanDerWaalsContact C-N 3.26Å; V128-S130 PolarHBondContact O-N 3Å; S130-G134 PolarHBondContact O-N 2.71Å; S130-G134 VanDerWaalsContact O-N 3.1Å
131K98.2Very high97.4Very high150 Ų15076.7 Ų76.765%0.65243%0.428SS*.Hα-helixtrans-68.3-46.3171.8-173.5179.6178.6-1780111.3A127 V128 L129 G134 Q135A127-K131 PolarHBondContact O-N 3.48Å; V128-K131 WeakPolarHBondContact O-CB 3.36Å; V128-K131 PolarHBondContact O-N 3.2Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 3.41Å; K131-G134 PolarHBondContact O-N 3.46Å; K131-Q135 PolarHBondContact O-N 3.31Å
132M97.9Very high97.6Very high66 Ų6677.7 Ų77.733%0.32545%0.445SS..Hα-helixtrans-61-48.7176.5-64.3168.969.700111.2L124 V128 L129 G134 Q135 S136L124-M132 HydrophobicContact CD1-SD 4.4Å; V128-M132 HydrophobicContact CG1-SD 4.37Å; V128-M132 PolarHBondContact O-N 3.48Å; L129-M132 PolarHBondContact O-N 2.79Å; M132-G134 VanDerWaalsContact C-N 3.28Å; M132-G134 PolarHBondContact O-N 3.17Å; M132-Q135 WeakPolarHBondContact O-CA 3.45Å; M132-Q135 WeakPolarHBondContact O-CB 3.36Å; M132-Q135 PolarHBondContact O-N 3.44Å; M132-S136 PolarHBondContact O-N 3.46Å; M132-S136 PolarHBondContact O-OG 3.4Å
133L98.4Very high97.7Very high0 Ų077.4 Ų77.40%044%0.441CS..Hα-helixtrans-56-41.4176.1-71.4161.6000112.2F106 W109 A110 E113 R114 L117 L129 Q135 S136 W137F106-L133 HydrophobicContact CE2-CB 4.38Å; F106-L133 HydrophobicContact CZ-CB 4.29Å; W109-L133 HydrophobicContact CH2-CB 4.27Å; W109-L133 HydrophobicContact CH2-CD2 3.65Å; W109-L133 WeakPolarHBondContact CH2-O 3.42Å; W109-L133 HydrophobicContact CZ2-CD2 4.49Å; W109-L133 HydrophobicContact CZ3-CB 4Å; W109-L133 HydrophobicContact CZ3-CD2 3.75Å; W109-L133 WeakPolarHBondContact CZ3-O 3.34Å; A110-L133 HydrophobicContact CB-CD1 4.38Å; A110-L133 HydrophobicContact CB-CD2 4.35Å; E113-L133 HydrophobicContact CB-CD2 3.74Å; E113-L133 HydrophobicContact CG-CD2 3.42Å; E113-L133 VanDerWaalsContact CG-CD2 3.42Å; R114-L133 HydrophobicContact CB-CD1 3.61Å; R114-L133 HydrophobicContact CG-CD1 3.94Å; L117-L133 HydrophobicContact CD1-CD2 4.02Å; L117-L133 HydrophobicContact CD1-CG 4.14Å; L129-L133 WeakPolarHBondContact O-CB 3.26Å; L129-L133 VanDerWaalsContact O-CD1 3.31Å; L129-L133 WeakPolarHBondContact O-CD1 3.44Å; L129-L133 WeakPolarHBondContact O-CG 3.38Å; L129-L133 PolarHBondContact O-N 2.93Å; L133-Q135 VanDerWaalsContact C-N 3.28Å; L133-Q135 PolarHBondContact O-N 3.43Å; L133-S136 PolarHBondContact O-N 2.91Å; L133-W137 WeakPolarHBondContact O-CB 3.16Å; L133-W137 PolarHBondContact O-N 3.04Å
134G98.4Very high97.8Very high24 Ų2473.6 Ų73.625%0.24742%0.421CS..Hα-helixtrans-66.2-25.8175.900000114.3S130 K131 M132 K138S130-G134 PolarHBondContact O-N 2.71Å; S130-G134 VanDerWaalsContact O-N 3.1Å; K131-G134 PolarHBondContact O-N 3.46Å; M132-G134 VanDerWaalsContact C-N 3.28Å; M132-G134 PolarHBondContact O-N 3.17Å; G134-K138 WeakPolarHBondContact O-CG 3.14Å
135Q98.4Very high97.9Very high121 Ų12173 Ų7357%0.56542%0.415SS*.Hα-helixtrans-79.6-50172.9-67.8172.1-5300110.8K131 M132 L133 W137 K138 A139K131-Q135 PolarHBondContact O-N 3.31Å; M132-Q135 WeakPolarHBondContact O-CA 3.45Å; M132-Q135 WeakPolarHBondContact O-CB 3.36Å; M132-Q135 PolarHBondContact O-N 3.44Å; L133-Q135 VanDerWaalsContact C-N 3.28Å; L133-Q135 PolarHBondContact O-N 3.43Å; Q135-W137 PolarHBondContact O-N 3.09Å; Q135-K138 WeakPolarHBondContact O-CB 3.4Å; Q135-K138 PolarHBondContact O-N 3.44Å; Q135-K138 VanDerWaalsContact O-N 3.12Å; Q135-A139 PolarHBondContact O-N 2.98Å; Q135-A139 VanDerWaalsContact O-N 3.14Å
136S98.1Very high98Very high55 Ų5572.4 Ų72.439%0.38541%0.408SS..Hα-helixtrans-59.4-43.7178.1-59.80000112.3M132 L133 K138 A139 L140M132-S136 PolarHBondContact O-N 3.46Å; M132-S136 PolarHBondContact O-OG 3.4Å; L133-S136 PolarHBondContact O-N 2.91Å; S136-K138 VanDerWaalsContact C-N 3.3Å; S136-K138 PolarHBondContact O-N 3.14Å; S136-A139 PolarHBondContact O-N 3.32Å; S136-A139 VanDerWaalsContact O-N 3.11Å; S136-L140 PolarHBondContact O-N 3.12Å
137W98.4Very high98.1Very high47 Ų4771 Ų7118%0.17840%0.404CS..Hα-helixtrans-60.2-37.4175.4178.2-102.7000112.8A105 F106 W109 L133 Q135 A139 L140 K145 F148A105-W137 HydrophobicContact CB-CH2 3.88Å; A105-W137 HydrophobicContact CB-CZ2 3.98Å; F106-W137 HydrophobicContact CB-CD2 4.41Å; F106-W137 HydrophobicContact CD2-CB 3.7Å; F106-W137 AromaticContact CD2-CD1 3.84Å; F106-W137 AromaticContact CD2-CD2 3.97Å; F106-W137 HydrophobicContact CD2-CD2 3.97Å; F106-W137 AromaticContact CD2-CG 3.54Å; F106-W137 HydrophobicContact CD2-CG 3.54Å; F106-W137 HydrophobicContact CE2-CB 3.87Å; F106-W137 HydrophobicContact CE2-CG 4.22Å; W109-W137 HydrophobicContact CB-CE3 3.97Å; W109-W137 HydrophobicContact CB-CZ3 3.61Å; W109-W137 AromaticContact CD2-CE3 3.58Å; W109-W137 HydrophobicContact CD2-CE3 3.58Å; W109-W137 HydrophobicContact CD2-CZ3 4.12Å; W109-W137 HydrophobicContact CE3-CB 4.08Å; W109-W137 HydrophobicContact CE3-CD2 4.29Å; W109-W137 AromaticContact CE3-CE3 3.64Å; W109-W137 HydrophobicContact CE3-CE3 3.64Å; W109-W137 HydrophobicContact CE3-CZ3 4.46Å; W109-W137 AromaticContact CG-CE3 3.72Å; W109-W137 HydrophobicContact CG-CE3 3.72Å; W109-W137 AromaticContact CG-CZ3 3.73Å; W109-W137 HydrophobicContact CG-CZ3 3.73Å; W109-W137 HydrophobicContact CH2-CB 4.14Å; W109-W137 HydrophobicContact CZ3-CB 3.71Å; W109-W137 HydrophobicContact CZ3-CE3 4.41Å; L133-W137 WeakPolarHBondContact O-CB 3.16Å; L133-W137 PolarHBondContact O-N 3.04Å; Q135-W137 PolarHBondContact O-N 3.09Å; W137-A139 VanDerWaalsContact C-N 3.34Å; W137-L140 HydrophobicContact CE3-CD1 3.86Å; W137-L140 HydrophobicContact CZ3-CD1 4.3Å; W137-K145 HydrophobicContact CE3-CG 4.42Å; W137-K145 HydrophobicContact CH2-CB 3.99Å; W137-K145 HydrophobicContact CH2-CG 3.76Å; W137-K145 HydrophobicContact CZ2-CB 4.32Å; W137-K145 HydrophobicContact CZ2-CD 4.4Å; W137-K145 HydrophobicContact CZ2-CG 3.89Å; W137-K145 HydrophobicContact CZ3-CG 4.03Å; W137-K145 WeakPolarHBondContact O-CE 3.49Å; W137-K145 PolarHBondContact O-NZ 3.23Å; W137-K145 VanDerWaalsContact O-NZ 3.14Å; W137-F148 HydrophobicContact CH2-CB 4.13Å; W137-F148 HydrophobicContact CZ3-CB 4.28Å; W137-F148 HydrophobicContact CZ3-CD2 4.2Å; W137-F148 HydrophobicContact CZ3-CG 4.45Å
138K98.3Very high98.2Very high171 Ų17171 Ų7174%0.74339%0.391SS*.Hα-helixtrans-62.9-44.3175.1-77.6179.7174.6-167.70110.8G134 Q135 S136 K145G134-K138 WeakPolarHBondContact O-CG 3.14Å; Q135-K138 WeakPolarHBondContact O-CB 3.4Å; Q135-K138 PolarHBondContact O-N 3.44Å; Q135-K138 VanDerWaalsContact O-N 3.12Å; S136-K138 VanDerWaalsContact C-N 3.3Å; S136-K138 PolarHBondContact O-N 3.14Å; K138-K145 PolarHBondContact O-NZ 2.9Å
139A98.3Very high98.2Very high89 Ų8971.1 Ų71.174%0.73639%0.392SS*.Hα-helixtrans-71.4-22.1-177.400000115.7Q135 S136 W137Q135-A139 PolarHBondContact O-N 2.98Å; Q135-A139 VanDerWaalsContact O-N 3.14Å; S136-A139 PolarHBondContact O-N 3.32Å; S136-A139 VanDerWaalsContact O-N 3.11Å; W137-A139 VanDerWaalsContact C-N 3.34Å
140L97.9Very high98.3Very high48 Ų4876.2 Ų76.225%0.25142%0.416SS..SBendtrans-59.1146.9174.7-73.2174.9000112.1W109 S136 W137 D144 K145W109-L140 HydrophobicContact CD2-CD1 4.42Å; W109-L140 HydrophobicContact CZ2-CD1 4.12Å; S136-L140 PolarHBondContact O-N 3.12Å; W137-L140 HydrophobicContact CE3-CD1 3.86Å; W137-L140 HydrophobicContact CZ3-CD1 4.3Å; L140-D144 HydrophobicContact CB-CB 4.2Å; L140-D144 HydrophobicContact CD2-CB 4.03Å; L140-K145 HydrophobicContact CB-CG 4.13Å; L140-K145 WeakPolarHBondContact O-CE 3.24Å; L140-K145 PolarHBondContact O-NZ 2.94Å
141S98.5Very high98.3Very high45 Ų4577 Ų7732%0.31541%0.414SS..  trans-70.9165175.273.20000111.9T143 D144 K145S141-T143 PolarHBondContact O-N 3.34Å; S141-T143 PolarHBondContact OG-N 3.15Å; S141-T143 PolarHBondContact OG-OG1 2.99Å; S141-D144 VanDerWaalsContact CB-OD2 3.26Å; S141-D144 WeakPolarHBondContact CB-OD2 3.23Å; S141-D144 PolarHBondContact N-OD2 3.26Å; S141-D144 PolarHBondContact O-N 3.13Å; S141-D144 PolarHBondContact OG-N 2.95Å; S141-D144 VanDerWaalsContact OG-N 3.08Å; S141-D144 PolarHBondContact OG-OD1 3.01Å; S141-D144 PolarHBondContact OG-OD2 2.94Å; S141-K145 WeakPolarHBondContact O-CD 3.29Å; S141-K145 VanDerWaalsContact O-CG 3.28Å; S141-K145 WeakPolarHBondContact O-CG 3.2Å; S141-K145 PolarHBondContact O-N 3.43Å
142A97.5Very high98.3Very high83 Ų8370.1 Ų70.169%0.68639%0.386SS*.Hα-helixtrans-60-36.7172.400000111.8K145 R146A142-K145 PolarHBondContact O-N 3.46Å; A142-R146 PolarHBondContact O-N 3.13Å
143T98.3Very high98.3Very high99 Ų9971 Ų7161%0.60739%0.389SS*.Hα-helixtrans-64.9-38.7175.429.80000113.2S141 P147S141-T143 PolarHBondContact O-N 3.34Å; S141-T143 PolarHBondContact OG-N 3.15Å; S141-T143 PolarHBondContact OG-OG1 2.99Å; T143-P147 WeakPolarHBondContact O-CD 3.25Å
144D98.1Very high98.4Very high77 Ų7776.5 Ų76.541%0.41241%0.41SS..Hα-helixtrans-72.6-32.9175.9-49.4-44000111.8L140 S141 P147 F148L140-D144 HydrophobicContact CB-CB 4.2Å; L140-D144 HydrophobicContact CD2-CB 4.03Å; S141-D144 VanDerWaalsContact CB-OD2 3.26Å; S141-D144 WeakPolarHBondContact CB-OD2 3.23Å; S141-D144 PolarHBondContact N-OD2 3.26Å; S141-D144 PolarHBondContact O-N 3.13Å; S141-D144 PolarHBondContact OG-N 2.95Å; S141-D144 VanDerWaalsContact OG-N 3.08Å; S141-D144 PolarHBondContact OG-OD1 3.01Å; S141-D144 PolarHBondContact OG-OD2 2.94Å; D144-P147 WeakPolarHBondContact O-CD 3.42Å; D144-F148 VanDerWaalsContact O-CD2 3.25Å; D144-F148 WeakPolarHBondContact O-CD2 3.27Å; D144-F148 VanDerWaalsContact O-CE2 3.28Å; D144-F148 WeakPolarHBondContact O-CE2 3.41Å
145K98.4Very high98.4Very high48 Ų4877 Ų7721%0.20941%0.406CS..Hα-helixtrans-70.1-35.2176.7-73.2163.1172.5146.50112.1W137 K138 L140 S141 A142 F148 V149W137-K145 HydrophobicContact CE3-CG 4.42Å; W137-K145 HydrophobicContact CH2-CB 3.99Å; W137-K145 HydrophobicContact CH2-CG 3.76Å; W137-K145 HydrophobicContact CZ2-CB 4.32Å; W137-K145 HydrophobicContact CZ2-CD 4.4Å; W137-K145 HydrophobicContact CZ2-CG 3.89Å; W137-K145 HydrophobicContact CZ3-CG 4.03Å; W137-K145 WeakPolarHBondContact O-CE 3.49Å; W137-K145 PolarHBondContact O-NZ 3.23Å; W137-K145 VanDerWaalsContact O-NZ 3.14Å; K138-K145 PolarHBondContact O-NZ 2.9Å; L140-K145 HydrophobicContact CB-CG 4.13Å; L140-K145 WeakPolarHBondContact O-CE 3.24Å; L140-K145 PolarHBondContact O-NZ 2.94Å; S141-K145 WeakPolarHBondContact O-CD 3.29Å; S141-K145 VanDerWaalsContact O-CG 3.28Å; S141-K145 WeakPolarHBondContact O-CG 3.2Å; S141-K145 PolarHBondContact O-N 3.43Å; A142-K145 PolarHBondContact O-N 3.46Å; K145-F148 PolarHBondContact O-N 2.81Å; K145-V149 PolarHBondContact O-N 2.84Å; K145-V149 VanDerWaalsContact O-N 3.13Å
146R98.3Very high98.4Very high124 Ų12477.7 Ų77.747%0.46840%0.404SS..Hα-helixtrans-45.6-55.7-173.5-172.6-179.167.8177.6-0.8115A142 F148 V149 E150A142-R146 PolarHBondContact O-N 3.13Å; R146-F148 PolarHBondContact O-N 2.91Å; R146-F148 VanDerWaalsContact O-N 3.15Å; R146-V149 WeakPolarHBondContact O-CA 3.46Å; R146-V149 WeakPolarHBondContact O-CB 3.3Å; R146-V149 PolarHBondContact O-N 3.35Å; R146-E150 VanDerWaalsContact CD-OE1 3.26Å; R146-E150 WeakPolarHBondContact CD-OE1 3.37Å; R146-E150 HydrophobicContact CG-CG 4.24Å; R146-E150 WeakPolarHBondContact CG-OE1 3.28Å; R146-E150 IonicContact NE-OE1 3.72Å; R146-E150 WeakPolarHBondContact O-CG 3.4Å; R146-E150 PolarHBondContact O-N 3.04Å
147P98.5Very high98.4Very high61 Ų6178.6 Ų78.640%0.39641%0.407SS..Hα-helixtrans-60.5-28.8-178.323.6-35.2000113.5T143 D144 E151T143-P147 WeakPolarHBondContact O-CD 3.25Å; D144-P147 WeakPolarHBondContact O-CD 3.42Å; P147-E151 WeakPolarHBondContact O-CB 3.35Å; P147-E151 PolarHBondContact O-N 3.44Å
148F98.5Very high98.4Very high65 Ų6580.1 Ų80.129%0.28542%0.416SS..Hα-helixtrans-80.1-24.3176.1-52.3-73000112.7A105 V108 W109 W137 D144 K145 R146 A152A105-F148 VanDerWaalsContact CA-O 3.27Å; A105-F148 WeakPolarHBondContact CA-O 3.46Å; A105-F148 HydrophobicContact CB-CB 4.37Å; A105-F148 WeakPolarHBondContact CB-O 3.32Å; V108-F148 HydrophobicContact CG1-CD1 4.14Å; W109-F148 HydrophobicContact CB-CB 4.22Å; W109-F148 HydrophobicContact CB-CD1 3.76Å; W109-F148 HydrophobicContact CB-CD2 4.13Å; W109-F148 HydrophobicContact CB-CE1 4.15Å; W109-F148 HydrophobicContact CB-CE2 4.49Å; W109-F148 HydrophobicContact CB-CG 3.75Å; W109-F148 AromaticContact CD1-CE2 3.65Å; W109-F148 AromaticContact CD1-CZ 3.68Å; W109-F148 HydrophobicContact CG-CD2 4.4Å; W109-F148 HydrophobicContact CG-CE2 4.42Å; W109-F148 HydrophobicContact CG-CG 4.47Å; W137-F148 HydrophobicContact CH2-CB 4.13Å; W137-F148 HydrophobicContact CZ3-CB 4.28Å; W137-F148 HydrophobicContact CZ3-CD2 4.2Å; W137-F148 HydrophobicContact CZ3-CG 4.45Å; D144-F148 VanDerWaalsContact O-CD2 3.25Å; D144-F148 WeakPolarHBondContact O-CD2 3.27Å; D144-F148 VanDerWaalsContact O-CE2 3.28Å; D144-F148 WeakPolarHBondContact O-CE2 3.41Å; K145-F148 PolarHBondContact O-N 2.81Å; R146-F148 PolarHBondContact O-N 2.91Å; R146-F148 VanDerWaalsContact O-N 3.15Å; F148-A152 WeakPolarHBondContact O-CB 3.26Å; F148-A152 PolarHBondContact O-N 3.39Å; F148-A152 VanDerWaalsContact O-N 3.14Å
149V98.6Very high98.4Very high71 Ų7173.2 Ų73.243%0.4339%0.386SS..Hα-helixtrans-73.4-47169.6178.30000110.1A105 K145 R146 E151 A152 E153A105-V149 HydrophobicContact CB-CB 4.41Å; A105-V149 HydrophobicContact CB-CG2 3.79Å; K145-V149 PolarHBondContact O-N 2.84Å; K145-V149 VanDerWaalsContact O-N 3.13Å; R146-V149 WeakPolarHBondContact O-CA 3.46Å; R146-V149 WeakPolarHBondContact O-CB 3.3Å; R146-V149 PolarHBondContact O-N 3.35Å; V149-E151 PolarHBondContact O-N 2.58Å; V149-A152 PolarHBondContact O-N 3.08Å; V149-A152 VanDerWaalsContact O-N 3.15Å; V149-E153 PolarHBondContact O-N 3.45Å
150E98.6Very high98.4Very high107 Ų10774 Ų7450%0.538%0.378SS..Hα-helixtrans-57.4-48175.7-69.5166.9175.800111.5R146 A152 E153 R154R146-E150 VanDerWaalsContact CD-OE1 3.26Å; R146-E150 WeakPolarHBondContact CD-OE1 3.37Å; R146-E150 HydrophobicContact CG-CG 4.24Å; R146-E150 WeakPolarHBondContact CG-OE1 3.28Å; R146-E150 IonicContact NE-OE1 3.72Å; R146-E150 WeakPolarHBondContact O-CG 3.4Å; R146-E150 PolarHBondContact O-N 3.04Å; E150-A152 PolarHBondContact O-N 3.28Å; E150-E153 PolarHBondContact O-N 2.97Å; E150-R154 WeakPolarHBondContact O-CB 3.39Å; E150-R154 PolarHBondContact O-N 3.09Å
151E98.6Very high98.4Very high65 Ų6578.6 Ų78.630%0.30440%0.398SS..Hα-helixtrans-66.4-33.7175.5175.257.6-165.100112.8V108 P147 V149 R154 L155V108-E151 HydrophobicContact CG1-CB 4.38Å; V108-E151 HydrophobicContact CG1-CG 3.8Å; V108-E151 HydrophobicContact CG2-CG 4.46Å; P147-E151 WeakPolarHBondContact O-CB 3.35Å; P147-E151 PolarHBondContact O-N 3.44Å; V149-E151 PolarHBondContact O-N 2.58Å; E151-R154 PolarHBondContact O-N 2.91Å; E151-R154 IonicContact OE1-CZ 2.74Å; E151-R154 IonicContact OE1-NE 3.61Å; E151-R154 IonicContact OE1-NH2 4Å; E151-R154 PolarHBondContact OE1-NH2 3.48Å; E151-R154 IonicContact OE2-CZ 3.42Å; E151-R154 IonicContact OE2-NE 2.73Å; E151-R154 PolarHBondContact OE2-NE 3.12Å; E151-R154 IonicContact OE2-NH2 3.02Å; E151-R154 PolarHBondContact OE2-NH2 3.2Å; E151-L155 HydrophobicContact CG-CD1 4.14Å; E151-L155 WeakPolarHBondContact O-CB 3.26Å; E151-L155 VanDerWaalsContact O-CG 3.25Å; E151-L155 WeakPolarHBondContact O-CG 3.26Å; E151-L155 PolarHBondContact O-N 3.14Å; E151-L155 WeakPolarHBondContact OE1-CG 3.47Å
152A98.6Very high98.3Very high7 Ų781 Ų816%0.05841%0.407CS..Hα-helixtrans-68.8-40.3176.500000112.6A105 V108 F148 V149 E150 L155 R156A105-A152 HydrophobicContact CB-CB 4.14Å; A105-A152 VanDerWaalsContact N-CB 3.29Å; V108-A152 HydrophobicContact CG2-CB 4.28Å; F148-A152 WeakPolarHBondContact O-CB 3.26Å; F148-A152 PolarHBondContact O-N 3.39Å; F148-A152 VanDerWaalsContact O-N 3.14Å; V149-A152 PolarHBondContact O-N 3.08Å; V149-A152 VanDerWaalsContact O-N 3.15Å; E150-A152 PolarHBondContact O-N 3.28Å; A152-L155 PolarHBondContact O-N 3.04Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.49Å
153E98.8Very high98.3Very high85 Ų8580.2 Ų80.240%0.39739%0.389SS..Hα-helixtrans-70.1-36.9172.3-77.6-54.1111.500111.8V149 E150 L155 R156 V157V149-E153 PolarHBondContact O-N 3.45Å; E150-E153 PolarHBondContact O-N 2.97Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 3.44Å; E153-R156 VanDerWaalsContact CD-NE 3.35Å; E153-R156 WeakPolarHBondContact O-CB 3.39Å; E153-R156 PolarHBondContact O-N 3.17Å; E153-R156 VanDerWaalsContact O-N 3.08Å; E153-R156 VanDerWaalsContact OE1-CD 3.29Å; E153-R156 WeakPolarHBondContact OE1-CD 3Å; E153-R156 IonicContact OE1-NE 3.14Å; E153-R156 PolarHBondContact OE1-NE 3.39Å; E153-R156 VanDerWaalsContact OE1-NE 3.14Å; E153-R156 IonicContact OE2-CZ 2.75Å; E153-R156 IonicContact OE2-NE 2.69Å; E153-R156 PolarHBondContact OE2-NE 3.02Å; E153-R156 IonicContact OE2-NH2 3.33Å; E153-R156 PolarHBondContact OE2-NH2 2.96Å; E153-V157 WeakPolarHBondContact O-CB 3.17Å; E153-V157 WeakPolarHBondContact O-CG2 3.38Å; E153-V157 PolarHBondContact O-N 3.4Å
154R98.8Very high98.2Very high115 Ų11579.8 Ų79.843%0.43439%0.388SS..Hα-helixtrans-57.2-44.9170.8-163.7-159.264.267.35.1111.4E150 E151 Q158E150-R154 WeakPolarHBondContact O-CB 3.39Å; E150-R154 PolarHBondContact O-N 3.09Å; E151-R154 PolarHBondContact O-N 2.91Å; E151-R154 IonicContact OE1-CZ 2.74Å; E151-R154 IonicContact OE1-NE 3.61Å; E151-R154 IonicContact OE1-NH2 4Å; E151-R154 PolarHBondContact OE1-NH2 3.48Å; E151-R154 IonicContact OE2-CZ 3.42Å; E151-R154 IonicContact OE2-NE 2.73Å; E151-R154 PolarHBondContact OE2-NE 3.12Å; E151-R154 IonicContact OE2-NH2 3.02Å; E151-R154 PolarHBondContact OE2-NH2 3.2Å; R154-Q158 VanDerWaalsContact O-CB 3.26Å; R154-Q158 WeakPolarHBondContact O-CB 3.43Å; R154-Q158 PolarHBondContact O-N 3.16Å
155L98.6Very high98.1Very high33 Ų3383.8 Ų83.817%0.17341%0.409CS..Hα-helixtrans-66.7-34174.4-73.4168.6000112.7M103 V108 E151 A152 E153 H159M103-L155 HydrophobicContact CB-CD1 4.34Å; M103-L155 HydrophobicContact CE-CD1 3.9Å; V108-L155 HydrophobicContact CG2-CD1 3.83Å; E151-L155 HydrophobicContact CG-CD1 4.14Å; E151-L155 WeakPolarHBondContact O-CB 3.26Å; E151-L155 VanDerWaalsContact O-CG 3.25Å; E151-L155 WeakPolarHBondContact O-CG 3.26Å; E151-L155 PolarHBondContact O-N 3.14Å; E151-L155 WeakPolarHBondContact OE1-CG 3.47Å; A152-L155 PolarHBondContact O-N 3.04Å; E153-L155 VanDerWaalsContact C-N 3.31Å; E153-L155 PolarHBondContact O-N 3.44Å; L155-H159 WeakPolarHBondContact O-CB 3.39Å; L155-H159 PolarHBondContact O-N 3.47Å
156R98.4Very high98Very high136 Ų13684.5 Ų84.551%0.51341%0.411SS..Hα-helixtrans-69.4-46.2176.5-172.2173.594.3102.9-9.2112A152 E153 H159 L160A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.49Å; E153-R156 VanDerWaalsContact CD-NE 3.35Å; E153-R156 WeakPolarHBondContact O-CB 3.39Å; E153-R156 PolarHBondContact O-N 3.17Å; E153-R156 VanDerWaalsContact O-N 3.08Å; E153-R156 VanDerWaalsContact OE1-CD 3.29Å; E153-R156 WeakPolarHBondContact OE1-CD 3Å; E153-R156 IonicContact OE1-NE 3.14Å; E153-R156 PolarHBondContact OE1-NE 3.39Å; E153-R156 VanDerWaalsContact OE1-NE 3.14Å; E153-R156 IonicContact OE2-CZ 2.75Å; E153-R156 IonicContact OE2-NE 2.69Å; E153-R156 PolarHBondContact OE2-NE 3.02Å; E153-R156 IonicContact OE2-NH2 3.33Å; E153-R156 PolarHBondContact OE2-NH2 2.96Å; R156-H159 PolarHBondContact O-N 3.15Å; R156-L160 PolarHBondContact O-N 3.32Å
157V98.4Very high97.9Very high74 Ų7486.1 Ų86.145%0.44842%0.422SS..Hα-helixtrans-63.7-47.6176.21710000110.3E153 H159 L160 Q161E153-V157 WeakPolarHBondContact O-CB 3.17Å; E153-V157 WeakPolarHBondContact O-CG2 3.38Å; E153-V157 PolarHBondContact O-N 3.4Å; V157-H159 VanDerWaalsContact C-N 3.34Å; V157-H159 PolarHBondContact O-N 3.28Å; V157-L160 PolarHBondContact O-N 2.93Å; V157-Q161 WeakPolarHBondContact O-CG 3.47Å; V157-Q161 PolarHBondContact O-N 3.08Å
158Q98.4Very high97.8Very high79 Ų7988.5 Ų88.537%0.36942%0.424SS..Hα-helixtrans-56.8-48174.2178.8178.3-8.800111.1R154 L160 Q161 D162R154-Q158 VanDerWaalsContact O-CB 3.26Å; R154-Q158 WeakPolarHBondContact O-CB 3.43Å; R154-Q158 PolarHBondContact O-N 3.16Å; Q158-L160 PolarHBondContact O-N 3.45Å; Q158-Q161 PolarHBondContact O-N 2.84Å; Q158-D162 WeakPolarHBondContact CG-OD2 3Å; Q158-D162 PolarHBondContact NE2-OD2 2.77Å; Q158-D162 WeakPolarHBondContact O-CB 3.42Å; Q158-D162 PolarHBondContact O-N 3.17Å
159H98.4Very high97.5Very high27 Ų2794.3 Ų94.313%0.12544%0.444CS..Hα-helixtrans-61.5-31.2179.4-171.486.6000113.6I99 R100 P102 L155 R156 V157 H163 Y166I99-H159 VanDerWaalsContact CG2-CE1 3.44Å; I99-H159 WeakPolarHBondContact CG2-CE1 3.42Å; R100-H159 PolarHBondContact O-CE1 2.83Å; R100-H159 PolarHBondContact O-NE2 3.15Å; P102-H159 HydrophobicContact CB-CB 4.04Å; P102-H159 HydrophobicContact CG-CB 4.23Å; L155-H159 WeakPolarHBondContact O-CB 3.39Å; L155-H159 PolarHBondContact O-N 3.47Å; R156-H159 PolarHBondContact O-N 3.15Å; V157-H159 VanDerWaalsContact C-N 3.34Å; V157-H159 PolarHBondContact O-N 3.28Å; H159-H163 AromaticContact CE1-CD2 3.55Å; H159-H163 AromaticContact ND1-CD2 3.76Å; H159-H163 WeakPolarHBondContact O-CB 3.48Å; H159-H163 PolarHBondContact O-N 3.33Å; H159-Y166 AromaticContact NE2-CD1 3.75Å; H159-Y166 AromaticContact NE2-CD2 3.73Å; H159-Y166 AromaticContact NE2-CE1 3.91Å; H159-Y166 AromaticContact NE2-CE2 3.87Å; H159-Y166 AromaticContact NE2-CG 3.64Å; H159-Y166 AromaticContact NE2-CZ 3.93Å
160L97.8Very high97.3Very high105 Ų10595.1 Ų95.155%0.5545%0.45SS..Hα-helixtrans-74.6-33.4174.8-174.961.8000112.2R156 V157 Q158 H163 P164R156-L160 PolarHBondContact O-N 3.32Å; V157-L160 PolarHBondContact O-N 2.93Å; Q158-L160 PolarHBondContact O-N 3.45Å; L160-H163 CarbonylContact O-C 3.6Å; L160-P164 WeakPolarHBondContact O-CA 3.38Å; L160-P164 VanDerWaalsContact O-N 3.13Å
161Q98.1Very high96.9Very high145 Ų14599.4 Ų99.468%0.67846%0.462SS*.Hα-helixtrans-71.8-45.3173.6-67.2176.918.700111.9V157 Q158 H163V157-Q161 WeakPolarHBondContact O-CG 3.47Å; V157-Q161 PolarHBondContact O-N 3.08Å; Q158-Q161 PolarHBondContact O-N 2.84Å; Q161-H163 VanDerWaalsContact C-N 3.28Å; Q161-H163 PolarHBondContact O-N 3.31Å
162D97.5Very high96.5Very high95 Ų95107.5 Ų107.551%0.50849%0.489SS..Hα-helixtrans-66-31.6177.7-67.8-21000111.5Q158Q158-D162 WeakPolarHBondContact CG-OD2 3Å; Q158-D162 PolarHBondContact NE2-OD2 2.77Å; Q158-D162 WeakPolarHBondContact O-CB 3.42Å; Q158-D162 PolarHBondContact O-N 3.17Å
163H97.1Very high96Very high66 Ų66115.7 Ų115.731%0.30652%0.524SS..  trans-139.267.9-174.4-51.7-38.3000113I99 H159 L160 Q161 N165 Y166I99-H163 HydrophobicContact CD1-CB 4.21Å; I99-H163 WeakPolarHBondContact CG2-CD2 3.32Å; H159-H163 AromaticContact CE1-CD2 3.55Å; H159-H163 AromaticContact ND1-CD2 3.76Å; H159-H163 WeakPolarHBondContact O-CB 3.48Å; H159-H163 PolarHBondContact O-N 3.33Å; L160-H163 CarbonylContact O-C 3.6Å; Q161-H163 VanDerWaalsContact C-N 3.28Å; Q161-H163 PolarHBondContact O-N 3.31Å; H163-N165 PolarHBondContact O-N 2.86Å; H163-N165 VanDerWaalsContact O-N 3.12Å; H163-Y166 WeakPolarHBondContact O-CB 2.82Å; H163-Y166 PolarHBondContact O-N 2.75Å
164P96.6Very high95.2Very high90 Ų90121.1 Ų121.158%0.58455%0.546SS*.THydrogen-bonded Turntrans-61.4-28.1-175.723.7-34.7000113.6L160 Y166L160-P164 WeakPolarHBondContact O-CA 3.38Å; L160-P164 VanDerWaalsContact O-N 3.13Å; P164-Y166 VanDerWaalsContact C-N 3.3Å; P164-Y166 PolarHBondContact O-N 2.93Å
165N95.4Very high94.1Very high161 Ų161121.5 Ų121.586%0.86156%0.561SS**THydrogen-bonded Turntrans-88.111.5176.8-66.3-19.2000113.4H163 K167H163-N165 PolarHBondContact O-N 2.86Å; H163-N165 VanDerWaalsContact O-N 3.12Å; N165-K167 PolarHBondContact O-N 3.46Å
166Y97Very high92.7Very high63 Ų63125.8 Ų125.825%0.24759%0.589CS.*  trans-66.3122.7179.2179.5-100.9000111.8I99 H159 H163 P164I99-Y166 HydrophobicContact CB-CD2 3.92Å; I99-Y166 HydrophobicContact CB-CE2 3.99Å; I99-Y166 HydrophobicContact CD1-CD2 4.41Å; I99-Y166 HydrophobicContact CG2-CD2 3.41Å; I99-Y166 VanDerWaalsContact CG2-CD2 3.41Å; I99-Y166 HydrophobicContact CG2-CE2 3.57Å; I99-Y166 HydrophobicContact CG2-CG 4.43Å; H159-Y166 AromaticContact NE2-CD1 3.75Å; H159-Y166 AromaticContact NE2-CD2 3.73Å; H159-Y166 AromaticContact NE2-CE1 3.91Å; H159-Y166 AromaticContact NE2-CE2 3.87Å; H159-Y166 AromaticContact NE2-CG 3.64Å; H159-Y166 AromaticContact NE2-CZ 3.93Å; H163-Y166 WeakPolarHBondContact O-CB 2.82Å; H163-Y166 PolarHBondContact O-N 2.75Å; P164-Y166 VanDerWaalsContact C-N 3.3Å; P164-Y166 PolarHBondContact O-N 2.93Å
167K95.3Very high91.4Very high159 Ų159128 Ų12869%0.69160%0.603SS**  trans-124.2119.4172.5-169.6161-171.8162.60110.7N165 R169N165-K167 PolarHBondContact O-N 3.46Å; K167-R169 PolarHBondContact O-N 3.34Å; K167-R169 VanDerWaalsContact O-N 3.14Å
168Y96.1Very high89.8Confident111 Ų111133.9 Ų133.944%0.43562%0.622SS.*  trans-61.3117174.8172.4-133.2000110.6R101 P170R101-Y168 VanDerWaalsContact NH1-CZ 3.31Å; R101-Y168 PolarHBondContact NH1-OH 3.18Å; R101-Y168 VanDerWaalsContact NH2-CE2 3.27Å; R101-Y168 PolarHBondContact NH2-OH 3.37Å; Y168-P170 HydrophobicContact CD1-CG 4.39Å; Y168-P170 HydrophobicContact CE1-CG 3.75Å; Y168-P170 HydrophobicContact CE2-CG 4.24Å
169R93.5Very high88.1Confident187 Ų187137.5 Ų137.571%0.70664%0.643SS**  trans-115.7103.2174.8-64.7-176.4-170.3-1365.4109.9R98 K167 R171R98-R169 PolarHBondContact NH2-O 2.81Å; K167-R169 PolarHBondContact O-N 3.34Å; K167-R169 VanDerWaalsContact O-N 3.14Å; R169-R171 PolarHBondContact O-N 2.69Å
170P93Very high86Confident87 Ų87145.4 Ų145.457%0.56568%0.677SS**  trans-59.4127.8172-18.327.3000110.8Y168 R172Y168-P170 HydrophobicContact CD1-CG 4.39Å; Y168-P170 HydrophobicContact CE1-CG 3.75Å; Y168-P170 HydrophobicContact CE2-CG 4.24Å; P170-R172 PolarHBondContact O-N 3.14Å
171R91.3Very high83.9Confident198 Ų198149.5 Ų149.575%0.74769%0.685SS**  trans-84.998.4175.6-173.2178.9-173.4-96.87.9109.6R169 K173R169-R171 PolarHBondContact O-N 2.69Å; R171-K173 PolarHBondContact O-N 2.68Å; R171-K173 VanDerWaalsContact O-N 3.15Å
172R89.2Confident82Confident234 Ų234148.7 Ų148.788%0.88369%0.69SS**  trans-53.3120.8167.1-69.2179.174173.63.6108.6P170 K174P170-R172 PolarHBondContact O-N 3.14Å; R172-K174 PolarHBondContact O-N 3.14Å
173K88.1Confident79.7Confident180 Ų180149.2 Ų149.278%0.78369%0.689SS**  trans-67124.2167.2-66.8179.7-179177.10106.6R171 T175R171-K173 PolarHBondContact O-N 2.68Å; R171-K173 VanDerWaalsContact O-N 3.15Å; K173-T175 PolarHBondContact O-N 2.83Å; K173-T175 VanDerWaalsContact O-N 3.07Å
174K83.3Confident77.9Confident199 Ų199151.2 Ų151.287%0.86571%0.708SS**  trans-66.5106.9165.8-73-173.9177.2-1760106.4R172 T176R172-K174 PolarHBondContact O-N 3.14Å; K174-T176 VanDerWaalsContact C-N 3.35Å; K174-T176 PolarHBondContact O-N 3.03Å
175T74.4Confident76.1Confident122 Ų122149.1 Ų149.175%0.74870%0.702SS**  trans-69.197.4169.437.70000107.5K173 K177K173-T175 PolarHBondContact O-N 2.83Å; K173-T175 VanDerWaalsContact O-N 3.07Å; T175-K177 PolarHBondContact O-N 3.4Å
176T70.1Confident74.3Confident123 Ų123148.6 Ų148.676%0.75570%0.699SS**  trans-62.693.3163.339.90000106.8K174 K178K174-T176 VanDerWaalsContact C-N 3.35Å; K174-T176 PolarHBondContact O-N 3.03Å; T176-K178 VanDerWaalsContact C-N 3.27Å; T176-K178 PolarHBondContact O-N 3.22Å
177K70.1Confident72.4Confident184 Ų184153.1 Ų153.180%0.873%0.727SS**  trans-56.398.1168.8-69.9-173.7178.5-174.50106.3T175 L179T175-K177 PolarHBondContact O-N 3.4Å; K177-L179 PolarHBondContact O-N 3Å
178K65.9Low70.5Confident197 Ų197152 Ų15286%0.85773%0.728SS**  trans-65.787.1162.8-72.4-170.2-180-176.80105.2T176 K180T176-K178 VanDerWaalsContact C-N 3.27Å; T176-K178 PolarHBondContact O-N 3.22Å; K178-K180 PolarHBondContact O-N 3.49Å
179L61.3Low68.3Low155 Ų155154.7 Ų154.781%0.81274%0.744SS**  trans-50.8108.4162.3-77159.6000105.2K177 R181K177-L179 PolarHBondContact O-N 3Å; L179-R181 PolarHBondContact O-N 3.42Å
180K55Low65.9Low192 Ų192151.2 Ų151.284%0.83575%0.748SS**  trans-58.4103.1157.1-85.7-173.4174.9-179.40104K178 V182K178-K180 PolarHBondContact O-N 3.49Å; K180-V182 PolarHBondContact O-N 3.45Å
181R53.1Low63.8Low192 Ų192154.4 Ų154.473%0.72576%0.76SS**  trans-60.796.3163.8175.9177166.4116.22.8104.9L179 E183L179-R181 PolarHBondContact O-N 3.42Å; R181-E183 WeakPolarHBondContact CD-OE1 3.32Å; R181-E183 IonicContact CZ-OE1 2.74Å; R181-E183 IonicContact NE-OE1 3.14Å; R181-E183 PolarHBondContact NE-OE1 3.44Å; R181-E183 IonicContact NH2-OE1 3.56Å; R181-E183 PolarHBondContact O-N 3.39Å; R181-E183 VanDerWaalsContact O-N 3.14Å
182V58.7Low61.8Low127 Ų127148.9 Ų148.977%0.7776%0.756SS**  trans-67.1111172.7-172.50000104.6K180 P184K180-V182 PolarHBondContact O-N 3.45Å; V182-P184 WeakPolarHBondContact O-CD 3.42Å
183E50.3Low59.7Low106 Ų106147.2 Ų147.250%0.49576%0.758SS.*  trans-64.2122.1-178.2-83.5-58.3134.100109.3R181 G185R181-E183 WeakPolarHBondContact CD-OE1 3.32Å; R181-E183 IonicContact CZ-OE1 2.74Å; R181-E183 IonicContact NE-OE1 3.14Å; R181-E183 PolarHBondContact NE-OE1 3.44Å; R181-E183 IonicContact NH2-OE1 3.56Å; R181-E183 PolarHBondContact O-N 3.39Å; R181-E183 VanDerWaalsContact O-N 3.14Å; E183-G185 PolarHBondContact O-N 2.93Å
184P58.1Low57.5Low109 Ų109142.8 Ų142.871%0.70876%0.764SS**THydrogen-bonded Turntrans-7417.8-174.431.9-36.5000113.4V182V182-P184 WeakPolarHBondContact O-CD 3.42Å
185G58Low55.2Low45 Ų45137 Ų13746%0.46476%0.76SS.*THydrogen-bonded Turntrans-93.2-22.3179.900000115.3E183 L187E183-G185 PolarHBondContact O-N 2.93Å; G185-L187 PolarHBondContact O-N 3Å
186L57.7Low53.5Low151 Ų151135.8 Ų135.879%0.79176%0.763SS**THydrogen-bonded Turntrans-80.7-14.1-172.2-64.4-175.6000114.9
187L57.1Low52.4Low158 Ų158135.7 Ų135.783%0.82777%0.765SS**THydrogen-bonded Turntrans-83.7-11178.1-68.4177.7000114G185G185-L187 PolarHBondContact O-N 3Å
188L56.1Low50.7Low136 Ų136131.1 Ų131.171%0.71276%0.761SS**SBendtrans-90.8-22.9-173.9-159.367.5000113.8S190L188-S190 PolarHBondContact O-N 2.96Å
189H50.1Low49.6Very low167 Ų167130.5 Ų130.577%0.77377%0.766SS**G310 helixtrans-77.6-19.2-172-114.687.9000114.7L191H189-L191 VanDerWaalsContact C-N 3.3Å; H189-L191 PolarHBondContact O-N 3.28Å
190S43.4Very low48.4Very low113 Ų113127 Ų12779%0.7977%0.768SS**G310 helixtrans-83.22-178-57.60000114.9L188L188-S190 PolarHBondContact O-N 2.96Å
191L48.7Very low47.6Very low155 Ų155126.5 Ų126.581%0.81277%0.773SS**G310 helixtrans-114.74.3-177.9-75.6166.9000113.9H189H189-L191 VanDerWaalsContact C-N 3.3Å; H189-L191 PolarHBondContact O-N 3.28Å
192A50Low46.7Very low82 Ų82120.8 Ų120.868%0.67877%0.774SS**  trans-123.838.4-16600000114.7
193Q44.8Very low46.2Very low198 Ų198121.4 Ų121.493%0.92578%0.78SS**  trans-143.860.9171-157.2159.353.200114.3
194G41.8Very low45.4Very low87 Ų87119.7 Ų119.790%0.89779%0.791SS**  trans-113.1105.2161.400000110.4
195G33.8Very low44.5Very low77 Ų77121.5 Ų121.579%0.79480%0.8SS**  trans151.1116.6176.300000114
196A39.3Very low43.4Very low97 Ų97122.6 Ų122.680%0.80281%0.811SS**  trans-83.8162.6161.500000109.6
197P46.9Very low43Very low122 Ų122121 Ų12179%0.79281%0.81SS**  -153.7178.886.541.4-23.3000116.8
198A34.6Very low42Very low88 Ų88120.9 Ų120.973%0.72781%0.809SS**  trans67.4104.5146.200000121.7
199L43.3Very low41Very low183 Ų183119.1 Ų119.196%0.95881%0.814SS**  23.3121.9123.7-53.7175.9000119.4
200G35.6Very low40.3Very low82 Ų82115.1 Ų115.185%0.84581%0.81SS**  trans-154.2131166.900000112.7
201L38.3Very low39.9Very low182 Ų182117.9 Ų117.995%0.95382%0.816SS**  trans-76.3157.2-171.8-66.1146.9000113.7
202G33.3Very low39Very low71 Ų71113.8 Ų113.873%0.73281%0.812SS**  trans-85-144.7167.800000112.8
203P48.5Very low38.3Very low140 Ų140117 Ų11791%0.90982%0.822SS**  cis-141.9-175.83.743.9-26000116.5
204G33.5Very low37.8Very low70 Ų70113.2 Ų113.272%0.72282%0.818SS**  trans101.6148.9156.700000116.8
205V39.8Very low37.2Very low147 Ų147112.6 Ų112.689%0.89181%0.812SS**  cis-147.7155.8-6-70.10000110.6
206G34.1Very low37.2Very low68 Ų68113.9 Ų113.970%0.70182%0.815SS**  trans-103.3-155167.200000111.8
207P50.6Low37.1Very low118 Ų118114 Ų11477%0.76682%0.816SS**  cis-123.4-162.72.424.72.2000111.5
208L35Very low36.7Very low156 Ų156113 Ų11382%0.81782%0.818SS**  cis-161.2152.537.2-73.9159.6000112.8
209A34.7Very low36.8Very low98 Ų98116.8 Ų116.881%0.8183%0.825SS**  trans42.7150.9142.600000123
210A36.1Very low36.4Very low84 Ų84116.1 Ų116.169%0.69482%0.821SS**  cis-169.4158.7-19.800000109.6
211D35Very low36.8Very low170 Ų170117.7 Ų117.791%0.90982%0.816SS**  trans57.4152.5171.1-60.7-48.7000119.4
212G31Very low36.6Very low70 Ų70115.2 Ų115.272%0.72281%0.814SS**  cis148.383.1-14.900000116.6
213V34.9Very low36.8Very low148 Ų148120.1 Ų120.190%0.89782%0.823SS**  trans-180155.3145.164.10000112.4
214S33.8Very low36.3Very low119 Ų119116.4 Ų116.483%0.83281%0.81SS**  trans-57161.3177.9-48.40000115.8
215G29.3Very low36.6Very low75 Ų75122.2 Ų122.277%0.77382%0.818SS**  cis164.3158-3.400000112
216A33.8Very low36.3Very low104 Ų104124.5 Ų124.586%0.8682%0.816SS**  trans-157.1168.6-17600000113.8
217A36.9Very low36.6Very low99 Ų99132.2 Ų132.282%0.81882%0.824SS**  trans66105.5171.600000117.6
218A37.8Very low35.7Very low101 Ų101133.1 Ų133.184%0.83582%0.823SS**  trans-88.8134.8163.100000110.5
219L37.2Very low35.8Very low168 Ų168133.8 Ų133.888%0.8883%0.826SS**  trans-139.3137.3169.8-73.2176.9000110.5
220L35.4Very low36.2Very low168 Ų168135 Ų13588%0.8883%0.826SS**  trans-148.7161.3173.6-79177.5000108.3
221P44.3Very low36.2Very low115 Ų115135.4 Ų135.475%0.74783%0.829SS**  cis-121177.8-19.637.9-24.4000111.8
222S34.6Very low36.1Very low130 Ų130137 Ų13791%0.90983%0.831SS**  trans-122.8117.7156.9-171.80000108.4
223L37.5Very low36.2Very low174 Ų174136.9 Ų136.991%0.91183%0.83SS**  trans-114.7113.9-175.6-177.668.3000109.5
224G37.7Very low36.3Very low62 Ų62137.6 Ų137.664%0.63983%0.829SS**  trans-179.875.8-178.600000112.7
225H40Very low36.5Very low193 Ų193140.1 Ų140.189%0.89483%0.832SS**  trans-138.698.2163.1-93.258.2000108
226F31.7Very low37.1Very low194 Ų194145 Ų14585%0.85183%0.834SS**  trans-74.4142.8165.6-171.3-93.1000108
227R40.9Very low37.1Very low231 Ų231144.3 Ų144.387%0.87282%0.823SS**  trans-142.3146.2176.8-157.6177.8-175.3-145.3-3.4111.4
228D32.4Very low37.2Very low137 Ų137150.2 Ų150.273%0.73383%0.826SS**PPolyproline II helixtrans-77.2161.6-158.8-48-90.9000115.8
229L37.5Very low37.1Very low170 Ų170149 Ų14989%0.8982%0.823SS**PPolyproline II helixtrans-72147.7171.8-68.6161.5000112.2
230P41.4Very low37.2Very low122 Ų122148.9 Ų148.979%0.79282%0.823SS**PPolyproline II helixtrans-100.7150.3141.835.4-28.2000110.6
231A37.2Very low37.6Very low93 Ų93146.7 Ų146.777%0.76982%0.818SS**  trans-123.9127.9175.400000110.9
232H33.1Very low37.5Very low203 Ų203146.6 Ų146.694%0.9482%0.816SS**  trans-175.3152.6159.9-122.1-83.9000110.6
233G32.9Very low38.4Very low68 Ų68146.9 Ų146.970%0.70182%0.815SS**  trans109110.6155.800000116.4
234D36.7Very low38.6Very low164 Ų164145.2 Ų145.288%0.87780%0.802SS**  trans-59.7143.4177.1-42.6-86.6000115.1
235L38.9Very low38.8Very low172 Ų172149.8 Ų149.890%0.90181%0.809SS**  -164.7156.8128.3-161.752000111.2
236E41.3Very low39.2Very low177 Ų177145.6 Ų145.683%0.82780%0.801SS**  trans-88.5162.8-172-62.2178.897.100115.8
237S33.4Very low40Very low90 Ų90142.3 Ų142.363%0.62980%0.8SS**  trans72.8138.9157.5-132.90000117.3
238Y39.9Very low40.3Very low222 Ų222138.9 Ų138.987%0.87180%0.798SS**  cis-133.4157.220.1-81.7-95000112.9
239G35.5Very low40.8Very low75 Ų75139.8 Ų139.877%0.77380%0.803SS**  trans-80.3150-178.300000115.4
240L38.7Very low41Very low166 Ų166139.9 Ų139.987%0.86980%0.803SS**  trans-85.3131.7169.3-66.3171.8000110.1T242L240-T242 PolarHBondContact O-N 2.88Å
241P44.3Very low41.4Very low122 Ų122140.7 Ų140.779%0.79280%0.8SS**  trans-77.7108.417830-33.1000111.4P243P241-P243 WeakPolarHBondContact O-CD 3.28Å
242T42Very low41.6Very low114 Ų114145 Ų14570%0.69980%0.804SS**  trans-75.8123.5161.443.50000109.9L240 E244L240-T242 PolarHBondContact O-N 2.88Å; T242-E244 PolarHBondContact O-N 3.1Å
243P53.4Low42Very low136 Ų136142.8 Ų142.888%0.88380%0.799SS**  trans-71.491.5170-16.132000110P241P241-P243 WeakPolarHBondContact O-CD 3.28Å
244E40.8Very low42Very low139 Ų139142.3 Ų142.365%0.6579%0.794SS**  trans-84.3141.7176.6-94-74.795.300112.1T242T242-E244 PolarHBondContact O-N 3.1Å
245M43.6Very low42Very low158 Ų158139.9 Ų139.978%0.77880%0.797SS**  trans66.6147.5162.2-62.5-63.1162.900120
246S48.6Very low41.9Very low104 Ų104135.5 Ų135.573%0.72779%0.793SS**  trans-94.6127.3-177.7178.50000110.7L248S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 3.3Å
247P47.9Very low41.6Very low126 Ų126136.1 Ų136.182%0.81880%0.796SS**SBendtrans-8371-174.134.2-36.6000112.6
248L46.4Very low42Very low159 Ų159137 Ų13783%0.83280%0.802SS**  trans-148.258169-97.8-176.6000112S246S246-L248 VanDerWaalsContact C-N 3.34Å; S246-L248 PolarHBondContact O-N 3.3Å
249D44.3Very low41.9Very low156 Ų156132.7 Ų132.783%0.83480%0.799SS**  trans-161.8104.6158.4-117.2-23.1000110.7
250L41.7Very low41.9Very low171 Ų171137 Ų13790%0.89580%0.796SS**  trans-179.4134.4151.5-104.3162.4000110.2
251L49.5Very low42Very low140 Ų140137.8 Ų137.873%0.73379%0.793SS**  trans-106.6164.7170.9-99.968.3000109.7
252E40.4Very low41.9Very low182 Ų182138.2 Ų138.285%0.8580%0.796SS**  trans66.3145.4168.5-83.1157.585.100115.7
253D41Very low41.7Very low157 Ų157140.5 Ų140.584%0.8480%0.799SS**  cis-152.8169.1-2.8-177.529.3000109.7
254G33.8Very low40.8Very low58 Ų58142.2 Ų142.260%0.59880%0.795SS**  trans83.493.6146.800000119.8
255A36.6Very low40.6Very low113 Ų113141.1 Ų141.193%0.93479%0.791SS**  trans49.8118.1142.900000121.4
256G36.5Very low40Very low80 Ų80139.2 Ų139.283%0.82578%0.78SS**  trans-175.8119.9162.600000111.3
257E36.2Very low39.4Very low191 Ų191139.9 Ų139.989%0.89378%0.776SS**  trans-73.1149-168.8-61.1-177.4128.500114.6
258S40.8Very low38.7Very low108 Ų108141.6 Ų141.676%0.75577%0.773SS**  trans19135.3139.7-51.50000118.7
259V38.7Very low38.2Very low132 Ų132137.7 Ų137.780%0.876%0.763SS**  -167.4138.867.9156.30000109.6
260F35.5Very low37.5Very low164 Ų164133.5 Ų133.572%0.71976%0.757SS**SBend169.183.1124.2-163.3-93.8000112.8
261F40.2Very low37.2Very low183 Ų183134.9 Ų134.980%0.80376%0.762SS**  trans-179.7140.1135.4-100.5-66.4000109.3
262P41.5Very low36.3Very low132 Ų132132.1 Ų132.186%0.85777%0.767SS**  trans-77.6152.6-172.5-18.133.8000115.6
263Q37.4Very low36.1Very low161 Ų161126.6 Ų126.675%0.75276%0.758SS**  trans-135.4131.8-178.8174.5-174.2-10.400110.8
264H36.2Very low35.5Very low172 Ų172130.4 Ų130.480%0.79676%0.761SS**  trans-176.1122.4172.5170.9-69.6000109.4
265M35.8Very low35.5Very low117 Ų117133 Ų13358%0.57677%0.765SS**  cis-136.6159.9-12.5-67.9-10576.100105.2
266Q31.9Very low35.2Very low118 Ų118132 Ų13255%0.55175%0.752SS**  56.2138.855.5-79.8-171.6-94.400112.3
267D34.4Very low35Very low118 Ų118138.5 Ų138.563%0.63175%0.751SS**  cis-152.9174.517.4-105.4-25.9000109.6
268E33.1Very low34.9Very low162 Ų162136.7 Ų136.776%0.75775%0.747SS**  cis-156.616819.2-128.9-77.277.400111.5
269A36.1Very low34.6Very low76 Ų76135.7 Ų135.763%0.62873%0.733SS**  trans4.8126.7162.900000123
270G30.5Very low34.2Very low69 Ų69134.1 Ų134.171%0.71173%0.728SS**  107.6114.780.100000120.9
271M35.2Very low34.3Very low200 Ų200135.5 Ų135.599%0.98573%0.729SS**  trans65.5146.5143.6-65.9165.959.400121.2
272G30.7Very low34.2Very low81 Ų81134.4 Ų134.484%0.83573%0.729SS**  trans125.4112.7156.300000116
273G36.8Very low33.7Very low66 Ų66132.6 Ų132.668%0.6872%0.72SS**  trans-94.8-153.8158.300000111.6
274W28.5Very low33.5Very low238 Ų238130.5 Ų130.590%0.90272%0.723SS**  trans8593.7170.1-57.888.8000118.9
275T32.9Very low33.4Very low111 Ų111128.9 Ų128.968%0.68173%0.725SS**  52.1121.4125.460.90000123
276S29.4Very low33.2Very low93 Ų93131.7 Ų131.765%0.6574%0.737SS**  74.7120126.4-77.50000123.6
277R32.4Very low33.4Very low216 Ų216131.1 Ų131.182%0.81575%0.746SS**  87.2120.9128.7-66.2166-167.5-103.82.3122.4
278L35.9Very low33.4Very low154 Ų154132 Ų13281%0.80675%0.751SS**  trans65157.3141.1-86.771.9000118.1
279D33.1Very low33.4Very low86 Ų86132.1 Ų132.146%0.4675%0.753SS.*  cis-149.7134.1-2.8-150.6-46.8000107.6R281D279-R281 IonicContact OD1-CZ 3.34Å; D279-R281 IonicContact OD1-NE 2.83Å; D279-R281 PolarHBondContact OD1-NE 3.3Å; D279-R281 IonicContact OD1-NH2 2.7Å; D279-R281 PolarHBondContact OD1-NH2 3.39Å; D279-R281 IonicContact OD2-CZ 3.74Å; D279-R281 IonicContact OD2-NE 3.83Å; D279-R281 IonicContact OD2-NH2 3.54Å; D279-R281 PolarHBondContact OD2-NH2 2.93Å
280S30.2Very low33.3Very low99 Ų99135.2 Ų135.269%0.69276%0.764SS**  167.5132.7102.9-69.10000107.5
281R38.3Very low33.4Very low193 Ų193137.2 Ų137.273%0.72877%0.768SS**  62.1130.270.8-71.4-173.6-90.3-170.8-5.5112.2D279D279-R281 IonicContact OD1-CZ 3.34Å; D279-R281 IonicContact OD1-NE 2.83Å; D279-R281 PolarHBondContact OD1-NE 3.3Å; D279-R281 IonicContact OD1-NH2 2.7Å; D279-R281 PolarHBondContact OD1-NH2 3.39Å; D279-R281 IonicContact OD2-CZ 3.74Å; D279-R281 IonicContact OD2-NE 3.83Å; D279-R281 IonicContact OD2-NH2 3.54Å; D279-R281 PolarHBondContact OD2-NH2 2.93Å
282I38.3Very low33.3Very low160 Ų160133 Ų13382%0.82176%0.757SS**  cis-155.3171.915.914.7168.4000109.5
283S31.1Very low33.5Very low95 Ų95137.5 Ų137.566%0.66476%0.761SS**  cis-165.5141.5-1.141.90000113.1
284S31.9Very low33.3Very low117 Ų117140 Ų14082%0.81877%0.768SS**  49125.1127.4-159.60000123
285V35.4Very low33.7Very low137 Ų137134.3 Ų134.383%0.8376%0.764SS**  -166.2141.3108.164.50000111.4
286E31.6Very low33.8Very low177 Ų177135.5 Ų135.583%0.82777%0.771SS**  trans-100.5155.7173.6-68.5174.676.700112.3
287S36.1Very low33.9Very low106 Ų106136.3 Ų136.374%0.74178%0.777SS**  trans-167.1115.7143.3-87.80000113.9
288N33.3Very low34.1Very low136 Ų136130.7 Ų130.773%0.72778%0.777SS**  trans41130.8134.2-56.5-46.8000120.8
289M32.9Very low33.9Very low165 Ų165133.2 Ų133.281%0.81378%0.781SS**  -168.4124.994.3-95.4-61.3160.600111.8
290T35.1Very low34Very low140 Ų140136.8 Ų136.886%0.85980%0.799SS**  trans-138.8126.8173.7-29.60000108.5
291S32.7Very low35.3Very low112 Ų112137.5 Ų137.578%0.78380%0.801SS**  trans-137.4113-175.9-65.10000112
292S33.6Very low36Very low110 Ų110133 Ų13377%0.76980%0.797SS**  trans-99.3147.9170.3-530000110.5
293I34.4Very low35.8Very low177 Ų177129.9 Ų129.991%0.90879%0.79SS**  trans-137.4150.2153.153.2170.9000110.2
294S33.1Very low36Very low118 Ų118134.2 Ų134.283%0.82580%0.799SS**  trans-124.4156.5-167.9-56.50000112.7
295S36.3Very low36.1Very low118 Ų118132 Ų13283%0.82579%0.788SS**  trans-74.9147.2177.8-42.60000113.9
296V35.2Very low35.9Very low137 Ų137135.1 Ų135.183%0.8379%0.791SS**  trans-156.4129.8156.9-95.10000115.3
297S31.4Very low35.9Very low110 Ų110130 Ų13077%0.76977%0.774SS**  trans60.592131.8-53.80000125.1
298A35.6Very low36Very low98 Ų98132.3 Ų132.381%0.8177%0.773SS**  47.2127.5111.400000124.9
299K32Very low36.1Very low207 Ų207134.2 Ų134.290%0.978%0.778SS**  trans-158.1168.7142.8-13880175.7-1690112.3
300L35.8Very low36.2Very low161 Ų161132.6 Ų132.684%0.84378%0.777SS**  trans-140.2174.7-177.5-74.9167.9000109
301P56.9Low36.8Very low113 Ų113131 Ų13173%0.73477%0.769SS**  cis-122.7-125.7-28.431.5-7.6000108.6
302P54.6Low36.9Very low100 Ų100133.1 Ų133.165%0.64977%0.77SS**  cis-135.6162.9-33.537.4-18.6000118.2
303S32.6Very low37Very low94 Ų94138.3 Ų138.366%0.65777%0.773SS**  trans73.1140.7139.471.60000124.9
304H34.9Very low37.2Very low185 Ų185135.6 Ų135.686%0.85677%0.765SS**  trans64.6149.5164.9-63.3-77.7000119.5
305A33.8Very low37.9Very low72 Ų72135.9 Ų135.960%0.59576%0.764SS**  cis-170.4167.5-2600000110.6
306F31.9Very low37.8Very low202 Ų202137.1 Ų137.189%0.88677%0.766SS**  trans65.5151.7171.4-78.4-97.8000116.9
307S32.2Very low37.7Very low68 Ų68140 Ų14048%0.47677%0.767SS.*  cis-164.6156-17.5-152.30000113.2
308H37.5Very low38Very low156 Ų156140.1 Ų140.172%0.72277%0.767SS**  trans61161.1168.3-45.4-62.4000116.4
309Q36.7Very low38.5Very low176 Ų176141.1 Ų141.182%0.82277%0.765SS**  cis-126.6-165.913.4-54.4-780.900112.1
310V34Very low39.3Very low131 Ų131137.1 Ų137.179%0.79476%0.76SS**  trans-146.8162.1-161.2175.30000109.8
311P48.4Very low40.3Very low106 Ų106135.1 Ų135.169%0.68876%0.757SS**  cis-126.2-177.3-25.837.7-22000114.2
312L33.8Very low39.2Very low156 Ų156138.5 Ų138.582%0.81777%0.768SS**  -173.2129.1118.8-102.6169.3000115.2
313R36.4Very low38.3Very low220 Ų220138 Ų13883%0.8377%0.772SS**  trans44.6104.4157.1-82-174172.3177.9-1.9123.3
314T39.1Very low38.1Very low120 Ų120141 Ų14174%0.73678%0.781SS**  45.4135.2116.560.50000121.3
315P46.4Very low38Very low124 Ų124137.2 Ų137.281%0.80578%0.775SS**  -138.8151.889.738.3-26.5000117.8
316V34.5Very low38Very low143 Ų143138.5 Ų138.587%0.86778%0.78SS**  trans17.6133.5153.6-170.60000121
317K32.6Very low38.1Very low197 Ų197134.4 Ų134.486%0.85778%0.777SS**  trans-135.8135.1173.1-179.979.9170-172.40110
318C37.4Very low38.7Very low113 Ų113136.6 Ų136.676%0.76479%0.789SS**  trans-86.1143.2177.5-52.40000112.8
319P47.6Very low38.5Very low119 Ų119135.4 Ų135.477%0.77379%0.793SS**  trans-104.2156.9168.637.6-31.5000113.9
320P47.3Very low38.4Very low123 Ų123132 Ų13280%0.79979%0.788SS**  trans-94.9172.6174.338.6-35.3000113.5
321P57.9Low38.5Very low119 Ų119136 Ų13677%0.77379%0.79SS**  trans-102157-172.938.6-34.6000115.4
322L34.1Very low38.2Very low185 Ų185136.7 Ų136.797%0.96980%0.795SS**  trans-146.9168.5150.4-84.4-173.2000109.4
323A35Very low38.2Very low88 Ų88140 Ų14073%0.72780%0.796SS**  trans-110.2166.9-165.700000113.8
324D28.5Very low38.3Very low158 Ų158134.6 Ų134.685%0.84579%0.79SS**  -167.3167.1121.7-111.7-32.6000114.6
325S33.2Very low38Very low106 Ų106134 Ų13474%0.74179%0.791SS**  trans-7.4152.1160.3-80.80000121.1
326S32.9Very low37.3Very low98 Ų98138.1 Ų138.169%0.68580%0.796SS**  cis-173.6158.93.447.60000114
327S35.7Very low37.2Very low117 Ų117136.8 Ų136.882%0.81879%0.793SS**  trans76.9154.4151.8-62.40000120.6
328P44.7Very low37.4Very low113 Ų113135.5 Ų135.573%0.73479%0.794SS**  trans-121.8166.1-16241.6-27.6000116
329V33.4Very low37.6Very low132 Ų132135.8 Ų135.880%0.879%0.794SS**  trans-131.1132.3161.51750000108.8Y331V329-Y331 HydrophobicContact CG1-CD2 4.46Å; V329-Y331 HydrophobicContact CG1-CE2 4.22Å
330S33.9Very low36.9Very low103 Ų103138.6 Ų138.672%0.7280%0.797SS**  trans-107.3138.2-173.6-59.10000112.5
331Y36.8Very low36.9Very low215 Ų215138.2 Ų138.284%0.84380%0.795SS**  trans-138152.6159.5-82.7-74.1000110.6V329V329-Y331 HydrophobicContact CG1-CD2 4.46Å; V329-Y331 HydrophobicContact CG1-CE2 4.22Å
332P42Very low35.6Very low122 Ų122138.7 Ų138.779%0.79280%0.795SS**  trans-87.3157.9-157.533.7-37000115
333R32.8Very low35.4Very low225 Ų225139.2 Ų139.285%0.84979%0.79SS**  trans-111.9127.8173.5175.5-179.6178.3173.21.4109.9
334P38.8Very low34.9Very low106 Ų106140.8 Ų140.869%0.68879%0.794SS**  trans-75.8145.2170.631.4-33.3000111.1
335S32.7Very low34.9Very low109 Ų109141.1 Ų141.176%0.76279%0.791SS**  trans-120.9122.8176.4-67.40000109.8
336F31.6Very low34.8Very low209 Ų209144.4 Ų144.492%0.91779%0.794SS**  trans-109133.7168.2-77.1-84.4000109.4
337S32.9Very low34.9Very low115 Ų115146.6 Ų146.680%0.80480%0.804SS**  trans-126.5132.9-174.8530000111.2
338I35.6Very low35.5Very low170 Ų170146.5 Ų146.587%0.87280%0.8SS**PPolyproline II helixtrans-99133.7-179.4-61.3168.1000109.2
339P42.3Very low34.9Very low119 Ų119149.2 Ų149.277%0.77381%0.808SS**PPolyproline II helixtrans-88.1164.3179.834.6-35.3000114.7
340E33.7Very low34.8Very low178 Ų178147.6 Ų147.683%0.83280%0.802SS**PPolyproline II helixtrans-82.1159.2-178.8-118.4-170.114200114.3
341P45.6Very low34.7Very low116 Ų116149 Ų14975%0.75381%0.807SS**  trans-113.9116.5-179.636.6-24.8000115.2
342V32Very low34.6Very low128 Ų128142.8 Ų142.878%0.77680%0.8SS**  trans-140.296.9173.8-171.80000114.7
343K28.4Very low35.1Very low196 Ų196142.6 Ų142.685%0.85280%0.799SS**  trans49.3111.7131.5-169.9-175.1-178.8-177.40122.2
344C24.6Very low35.3Very low121 Ų121139 Ų13982%0.81880%0.801SS**  trans-158.9138.8136.6-103.40000107.7
345Q29.7Very low35Very low165 Ų165137 Ų13777%0.77180%0.801SS**  82108.452.9-114.5-168.1-1.400116.5
346Q31.8Very low34.9Very low176 Ų176142.5 Ų142.582%0.82281%0.806SS**  trans45.6124.5151.4-73.4176.1-22.600122.4
347T33.9Very low35Very low144 Ų144139.3 Ų139.388%0.88380%0.798SS**  trans-103.2135166.844.90000112.2
348P47.4Very low34.9Very low114 Ų114139.9 Ų139.974%0.7479%0.792SS**  trans-140.9138.2158.236.7-21.8000114.7
349L32.8Very low35Very low170 Ų170139 Ų13989%0.8978%0.784SS**  trans-178.7121.8155-93.1141.2000106.3
350S32.5Very low34.7Very low99 Ų99140.5 Ų140.569%0.69278%0.782SS**  82.1140.379.7-156.50000112.3
351T31.8Very low34.8Very low132 Ų132142.7 Ų142.781%0.8179%0.785SS**  cis-147.516628.3-55.20000112.4
352A34Very low34Very low85 Ų85140.7 Ų140.770%0.70279%0.785SS**  trans-86.6-174.4178.700000114
353P52.8Low34Very low118 Ų118138.2 Ų138.277%0.76679%0.785SS**  -147.6159.777.338-18.9000118.5
354V35.7Very low34.2Very low148 Ų148135.4 Ų135.490%0.89779%0.785SS**  trans27.5135.4141.7-171.30000120.5
355G32.4Very low34.7Very low66 Ų66133.8 Ų133.868%0.6878%0.78SS**  cis156.4-178.7-3.500000114.7
356Y31.3Very low35Very low224 Ų224131.4 Ų131.488%0.87878%0.782SS**  trans77.2128.8163.7-114.2-117.6000123
357L33.8Very low35.1Very low142 Ų142128.6 Ų128.674%0.74378%0.781SS**  trans80.392.8139.8-15070.5000124.3
358N31.1Very low35Very low127 Ų127126.2 Ų126.268%0.67978%0.777SS**  55.3145.1119.1-151.413.4000124.4
359Q37.3Very low34.4Very low152 Ų152124.4 Ų124.471%0.7177%0.771SS**  trans91.6105.8144.4-118.8171.5107.600123.2
360M36.4Very low34.5Very low149 Ų149124.4 Ų124.473%0.73477%0.766SS**  50.6151.8127.6-59.6-70.8-84.600124.1
361Y34.9Very low34.6Very low225 Ų225129.2 Ų129.288%0.88278%0.775SS**  trans70.4149.5176.5-58.7-89.5000116.2
362G30Very low35.1Very low73 Ų73129 Ų12975%0.75377%0.774SS**  cis161.2115.7-12.900000114.6
363G31.8Very low35.9Very low76 Ų76130.2 Ų130.278%0.78477%0.774SS**  trans78.1172.7174.800000115.5
364T32.1Very low35.1Very low138 Ų138129.8 Ų129.885%0.84777%0.774SS**  cis-151.3158-6.149.10000112.2
365A35.2Very low35.1Very low87 Ų87131.6 Ų131.672%0.71977%0.772SS**  trans59.3120.3142.600000123.9
366S35.9Very low35.5Very low115 Ų115136.5 Ų136.580%0.80478%0.782SS**  84.7111.3122-65.70000123.9
367S33.2Very low35.7Very low116 Ų116128.7 Ų128.781%0.81177%0.77SS**  109.4132.4117.7-158.30000120
368A32.8Very low35.9Very low95 Ų95131.3 Ų131.379%0.78578%0.778SS**  trans61.6142.2153.900000119.6
369A34.9Very low36Very low75 Ų75133.2 Ų133.262%0.6279%0.787SS**  cis-165.7-171.4-13.500000110
370H35.1Very low36.1Very low171 Ų171131.4 Ų131.479%0.79279%0.792SS**  trans96.2143.8163.4-52.9-77.2000119.3
371F34.7Very low36.9Very low200 Ų200129.7 Ų129.788%0.87779%0.792SS**  trans71.782.5172.3-64-71.1000120.6
372T41.6Very low37.4Very low128 Ų128124.9 Ų124.979%0.78579%0.788SS**  trans-92.5175.6132.257.60000108.7
373P51.6Low38.5Very low109 Ų109127.4 Ų127.471%0.70879%0.791SS**  cis-133.2155.7641-24.1000118
374S36.2Very low38.8Very low110 Ų110131.9 Ų131.977%0.76979%0.792SS**  trans22.2128.6137.7-47.50000122.3
375H35.3Very low39Very low185 Ų185131.3 Ų131.386%0.85679%0.788SS**  -145.7145.3107-141-88.6000112
376L40.9Very low38.9Very low170 Ų170132.9 Ų132.989%0.8979%0.794SS**  trans-146.7153.8-179.7-163.485.7000109.4
377G35.2Very low38.8Very low60 Ų60132.7 Ų132.762%0.61979%0.792SS**  trans119.9102.6179.300000109.9
378Q37Very low39Very low197 Ų197132.4 Ų132.492%0.92179%0.79SS**  100.2153.960.6-86.1-169.5-26.400111.8
379L33.8Very low39.1Very low166 Ų166132.5 Ų132.587%0.86979%0.786SS**  trans-118176.5-157.9-65.9166.3000112.5
380S39.3Very low38.8Very low115 Ų115134.7 Ų134.780%0.80480%0.795SS**  trans106.8166.4158.8-29.70000114.7
381P52.6Low38.6Very low113 Ų113131.2 Ų131.273%0.73479%0.79SS**  -130.6175.6-114.224.90.8000115.3
382P47.2Very low38.5Very low123 Ų123126.9 Ų126.980%0.79978%0.784SS**  trans-83.315117133.7-34.4000113.4
383P52.3Low38.2Very low126 Ų126125.9 Ų125.982%0.81878%0.783SS**  trans-100.2-179.5178.240.3-36.4000114.1
384E38.9Very low37.3Very low171 Ų171126.2 Ų126.280%0.79979%0.786SS**  trans-129.9158.7-177.8-88.4-93.290.300112.5
385T36.1Very low37.2Very low126 Ų126128.8 Ų128.877%0.77379%0.79SS**  trans69.9161.1173.185.90000116.4
386S33.2Very low37Very low119 Ų119127.5 Ų127.583%0.83279%0.788SS**  cis-141.2-164.914.9-82.80000112.6
387S32.7Very low37.7Very low111 Ų111124.9 Ų124.978%0.77678%0.781SS**  trans-132.8-179.2-150.659.70000118.7
388S37.1Very low37.6Very low110 Ų110126.2 Ų126.277%0.76979%0.787SS**  trans89.1159.8165.893.40000117.5
389S35.5Very low37.4Very low98 Ų98121.4 Ų121.469%0.68578%0.775SS**  cis-153161.114.6-88.70000114.5
390C28.8Very low37.5Very low121 Ų121117.5 Ų117.582%0.81876%0.761SS**  trans60.9158.4153.980.80000120.5
391S30.2Very low37.4Very low98 Ų98121.7 Ų121.769%0.68577%0.765SS**  cis-148.7154.212.9-63.10000115.3
392S32.8Very low36.5Very low108 Ų108119.6 Ų119.676%0.75577%0.765SS**  trans58.6126.3144.3-570000124.8
393S36.6Very low35.8Very low108 Ų108125.6 Ų125.676%0.75577%0.771SS**  trans39.5136.7130.8-40.60000121.3
394C32.5Very low34.8Very low115 Ų115124.4 Ų124.478%0.77777%0.766SS**  179.7150.871.1-93.50000113.6
395I33.7Very low34.7Very low165 Ų165119.8 Ų119.885%0.84676%0.757SS**  trans68.8136.8138.8-63.6-68.5000121.7
396L29.7Very low34.5Very low157 Ų157122.3 Ų122.382%0.82276%0.759SS**  trans-92.9-169.7170-68.2166.6000110.8
397P56.6Low34.4Very low116 Ų116121 Ų12175%0.75375%0.751SS**  cis-130.9-154-11.633.2-9.6000112.3
398A32.3Very low34.4Very low88 Ų88122 Ų12273%0.72775%0.747SS**  trans84.2143.4145.800000119.5
399S34Very low34.1Very low96 Ų96126 Ų12667%0.67175%0.753SS**  cis-170.3149.5-14.647.70000114.1
400S34.9Very low34Very low83 Ų83126.2 Ų126.258%0.5876%0.755SS**  trans67.2162.9142.763.60000120.8
401F38.3Very low34.1Very low203 Ų203125.1 Ų125.189%0.8975%0.749SS**  trans68.4127.4179.1-46.2-75.9000115.7
402G32.3Very low34.5Very low70 Ų70127.4 Ų127.472%0.72275%0.753SS**  cis167.7160.3-9.200000113.8
403R33.5Very low34.4Very low248 Ų248130.1 Ų130.194%0.93675%0.753SS**  trans10.3141.4145.4-89.7-177.1162-161.7-5.2118.9
404S31.4Very low34.6Very low102 Ų102129.4 Ų129.471%0.71375%0.754SS**  cis-176162.94.4-1590000111.9
405A35.8Very low34.5Very low73 Ų73127.6 Ų127.660%0.60376%0.755SS**  trans63.3131.213800000122.7
406H33Very low34.7Very low179 Ų179122.7 Ų122.783%0.82975%0.745SS**  trans68.3154.7147.9-80.6-97.9000118.7
407S30.8Very low35Very low93 Ų93122.7 Ų122.765%0.6574%0.741SS**  cis-146.8171.7-0.8-138.30000112.7
408D32.6Very low34.7Very low130 Ų130125.6 Ų125.670%0.69575%0.746SS**  trans-63.1143.6175.8-33.8-108.9000114.7
409Q30.1Very low35.4Very low194 Ų194123.7 Ų123.791%0.90774%0.736SS**  trans-153.1174.9134.2-145.3106.612900111.1
410S35Very low35.7Very low103 Ų103123.5 Ų123.572%0.7273%0.734SS**  trans-128.9170-153.355.40000115.4
411S30.8Very low36.3Very low99 Ų99122.8 Ų122.869%0.69273%0.729SS**  trans83.4132.7153.3-93.60000121.1
412L37Very low36.7Very low146 Ų146117.2 Ų117.276%0.76472%0.715SS**  trans50.5121.3139.6-58168.2000117.6
413E31.4Very low37.4Very low164 Ų164116.5 Ų116.577%0.76670%0.703SS**  -159.7176.468.9-105.5-54.1132.600113.9
414A40.2Very low38.1Very low94 Ų94109.3 Ų109.378%0.77768%0.68SS**  trans-84.4140.7-175.300000114.9
415G31.2Very low38.6Very low76 Ų76110.8 Ų110.878%0.78467%0.673SS**  trans-140.1113.1169.400000111H417G415-H417 PolarHBondContact O-N 3.48Å
416G37.5Very low39.3Very low63 Ų63113.6 Ų113.665%0.64967%0.668SS**  trans-78.9107.3-168.400000114.7M418G416-M418 VanDerWaalsContact C-N 3.32Å; G416-M418 PolarHBondContact O-N 2.98Å; G416-M418 VanDerWaalsContact O-N 3.08Å
417H36.5Very low40.2Very low157 Ų157107.7 Ų107.773%0.72765%0.648SS**  trans-84.165.5174.6-165.8-72.7000112.6G415 G419G415-H417 PolarHBondContact O-N 3.48Å; H417-G419 VanDerWaalsContact C-N 3.28Å; H417-G419 PolarHBondContact O-N 3.34Å
418M50.7Low41.1Very low176 Ų176107.9 Ų107.987%0.86764%0.638SS**  trans-78.479.5170.456.9-14876.100110.7G416G416-M418 VanDerWaalsContact C-N 3.32Å; G416-M418 PolarHBondContact O-N 2.98Å; G416-M418 VanDerWaalsContact O-N 3.08Å
419G47.1Very low42.4Very low49 Ų49104.6 Ų104.651%0.50562%0.623SS.*  trans-166.927.7-171.400000115H417 S421H417-G419 VanDerWaalsContact C-N 3.28Å; H417-G419 PolarHBondContact O-N 3.34Å; G419-S421 PolarHBondContact O-N 3.12Å
420S40.3Very low44.1Very low92 Ų92101 Ų10164%0.64361%0.61SS**  trans-61.1118.5175.4-84.70000111.4E424S420-E424 WeakPolarHBondContact CA-OE2 3.47Å; S420-E424 WeakPolarHBondContact CB-OE2 3.4Å; S420-E424 PolarHBondContact OG-OE2 3.14Å
421S47.1Very low45.2Very low68 Ų68103.2 Ų103.248%0.47660%0.602SS.*  trans-63.1145.7175.1179.10000109.9G419 A423 E424G419-S421 PolarHBondContact O-N 3.12Å; S421-A423 PolarHBondContact O-N 2.91Å; S421-A423 PolarHBondContact OG-N 3.11Å; S421-E424 WeakPolarHBondContact O-CB 3.27Å; S421-E424 PolarHBondContact O-N 3.42Å
422S45.7Very low46.5Very low85 Ų85104.2 Ų104.259%0.59460%0.596SS**Hα-helixtrans-59.3-21.5175.959.90000112.8E424 F425 W426S422-E424 VanDerWaalsContact C-N 3.29Å; S422-E424 PolarHBondContact O-N 3.4Å; S422-F425 PolarHBondContact O-N 3.41Å; S422-W426 PolarHBondContact O-N 3.2Å
423A48.3Very low48Very low55 Ų55103.2 Ų103.246%0.45559%0.587SS.*Hα-helixtrans-60.9-32.9171.400000113.5S421 S427S421-A423 PolarHBondContact O-N 2.91Å; S421-A423 PolarHBondContact OG-N 3.11Å; A423-S427 WeakPolarHBondContact O-CB 3.31Å; A423-S427 PolarHBondContact O-N 2.85Å; A423-S427 PolarHBondContact O-OG 3.07Å
424E47.5Very low49Very low98 Ų98102.4 Ų102.446%0.45858%0.581SS.*Hα-helixtrans-69.6-46178.3-62.1179.215800110.6S420 S421 S422 W426 S427 E428S420-E424 WeakPolarHBondContact CA-OE2 3.47Å; S420-E424 WeakPolarHBondContact CB-OE2 3.4Å; S420-E424 PolarHBondContact OG-OE2 3.14Å; S421-E424 WeakPolarHBondContact O-CB 3.27Å; S421-E424 PolarHBondContact O-N 3.42Å; S422-E424 VanDerWaalsContact C-N 3.29Å; S422-E424 PolarHBondContact O-N 3.4Å; E424-W426 PolarHBondContact O-N 3.11Å; E424-S427 WeakPolarHBondContact O-CB 3.47Å; E424-S427 PolarHBondContact O-N 3Å; E424-S427 VanDerWaalsContact O-N 3.12Å; E424-E428 PolarHBondContact O-N 2.95Å
425F43.2Very low49.9Very low132 Ų132102 Ų10258%0.57957%0.566SS**Hα-helixtrans-57.4-45.5175.2177.1-97.4000112.3S422 S427 E428 V429S422-F425 PolarHBondContact O-N 3.41Å; F425-S427 VanDerWaalsContact C-N 3.35Å; F425-S427 PolarHBondContact O-N 2.73Å; F425-E428 PolarHBondContact O-N 3.26Å; F425-V429 HydrophobicContact CD1-CG2 4.44Å; F425-V429 HydrophobicContact CE1-CG2 4.04Å; F425-V429 HydrophobicContact CE2-CG2 4.39Å; F425-V429 HydrophobicContact CZ-CG2 4.01Å; F425-V429 WeakPolarHBondContact O-CG2 3.43Å; F425-V429 PolarHBondContact O-N 3.05Å
426W48.4Very low51.2Low132 Ų132104.6 Ų104.650%0.556%0.558SS.*Hα-helixtrans-67.1-34.8176.1-66.6117.2000112.7S422 E424 E428 V429 D430S422-W426 PolarHBondContact O-N 3.2Å; E424-W426 PolarHBondContact O-N 3.11Å; W426-E428 VanDerWaalsContact C-N 3.31Å; W426-E428 PolarHBondContact O-N 3.31Å; W426-V429 PolarHBondContact O-N 3.05Å; W426-D430 WeakPolarHBondContact O-CB 3.49Å; W426-D430 PolarHBondContact O-N 3.3Å
427S53Low51.7Low56 Ų56110.9 Ų110.939%0.39256%0.564SS.*Hα-helixtrans-66.7-32.1175.1-57.50000112.6A423 E424 F425 R431A423-S427 WeakPolarHBondContact O-CB 3.31Å; A423-S427 PolarHBondContact O-N 2.85Å; A423-S427 PolarHBondContact O-OG 3.07Å; E424-S427 WeakPolarHBondContact O-CB 3.47Å; E424-S427 PolarHBondContact O-N 3Å; E424-S427 VanDerWaalsContact O-N 3.12Å; F425-S427 VanDerWaalsContact C-N 3.35Å; F425-S427 PolarHBondContact O-N 2.73Å; S427-R431 WeakPolarHBondContact O-CB 3.14Å; S427-R431 WeakPolarHBondContact O-CG 3.37Å; S427-R431 PolarHBondContact O-N 3.39Å; S427-R431 VanDerWaalsContact O-N 3.09Å
428E49.2Very low52.8Low96 Ų96106.5 Ų106.545%0.44955%0.547SS..Hα-helixtrans-77.4-37.4178.1-149.962.7-16900112.1E424 F425 W426 R431 H432E424-E428 PolarHBondContact O-N 2.95Å; F425-E428 PolarHBondContact O-N 3.26Å; W426-E428 VanDerWaalsContact C-N 3.31Å; W426-E428 PolarHBondContact O-N 3.31Å; E428-R431 PolarHBondContact O-N 3.4Å; E428-R431 IonicContact OE2-NH1 3.5Å; E428-H432 WeakPolarHBondContact O-CB 3.38Å; E428-H432 PolarHBondContact O-CD2 3.15Å; E428-H432 PolarHBondContact O-N 3.28Å
429V60Low52.8Low61 Ų61102.3 Ų102.337%0.3753%0.529SS..Hα-helixtrans-63-45.3171.8172.10000111F425 W426 H432 E433F425-V429 HydrophobicContact CD1-CG2 4.44Å; F425-V429 HydrophobicContact CE1-CG2 4.04Å; F425-V429 HydrophobicContact CE2-CG2 4.39Å; F425-V429 HydrophobicContact CZ-CG2 4.01Å; F425-V429 WeakPolarHBondContact O-CG2 3.43Å; F425-V429 PolarHBondContact O-N 3.05Å; W426-V429 PolarHBondContact O-N 3.05Å; V429-H432 PolarHBondContact O-N 3.04Å; V429-E433 PolarHBondContact O-N 3.43Å
430D65.1Low53.2Low120 Ų120106.4 Ų106.464%0.64254%0.536SS*.Hα-helixtrans-65.3-38.7179-160.150.4000111.5W426 F434W426-D430 WeakPolarHBondContact O-CB 3.49Å; W426-D430 PolarHBondContact O-N 3.3Å; D430-F434 WeakPolarHBondContact O-CB 3.34Å; D430-F434 PolarHBondContact O-N 2.67Å
431R59.1Low53.5Low148 Ų148105.4 Ų105.456%0.55854%0.541SS*.Hα-helixtrans-61.3-47.2169.5-81-174.5-176.596.88.1112.7S427 E428 E433 F434 D435S427-R431 WeakPolarHBondContact O-CB 3.14Å; S427-R431 WeakPolarHBondContact O-CG 3.37Å; S427-R431 PolarHBondContact O-N 3.39Å; S427-R431 VanDerWaalsContact O-N 3.09Å; E428-R431 PolarHBondContact O-N 3.4Å; E428-R431 IonicContact OE2-NH1 3.5Å; R431-E433 PolarHBondContact O-N 3.16Å; R431-F434 PolarHBondContact O-N 3.49Å; R431-D435 PolarHBondContact O-N 3.41Å
432H57.8Low53.5Low120 Ų120112 Ų11256%0.55656%0.555SS**Hα-helixtrans-67.3-34.1-179.5-79.1-43.1000113E428 V429 Q436E428-H432 WeakPolarHBondContact O-CB 3.38Å; E428-H432 PolarHBondContact O-CD2 3.15Å; E428-H432 PolarHBondContact O-N 3.28Å; V429-H432 PolarHBondContact O-N 3.04Å; H432-Q436 WeakPolarHBondContact O-CB 3.41Å; H432-Q436 PolarHBondContact O-N 3.21Å
433E69.4Low53Low125 Ų125112.6 Ų112.658%0.58456%0.559SS**Hα-helixtrans-67-42171.5-172.1168.7171.500111.1V429 R431 Q436 Y437V429-E433 PolarHBondContact O-N 3.43Å; R431-E433 PolarHBondContact O-N 3.16Å; E433-Q436 PolarHBondContact O-N 3Å; E433-Y437 WeakPolarHBondContact O-CB 3.47Å; E433-Y437 PolarHBondContact O-N 3.41Å
434F50.9Low52.5Low147 Ų147119.9 Ų119.965%0.64558%0.575SS**Hα-helixtrans-62-50.1175.3-176.1-95.2000112.6D430 R431 Q436 Y437 V438D430-F434 WeakPolarHBondContact O-CB 3.34Å; D430-F434 PolarHBondContact O-N 2.67Å; R431-F434 PolarHBondContact O-N 3.49Å; F434-Q436 VanDerWaalsContact C-N 3.33Å; F434-Q436 PolarHBondContact O-N 3.15Å; F434-Y437 WeakPolarHBondContact O-CB 3.17Å; F434-Y437 PolarHBondContact O-N 3.3Å; F434-Y437 VanDerWaalsContact O-N 3.13Å; F434-V438 HydrophobicContact CD1-CG2 4.14Å; F434-V438 HydrophobicContact CE1-CG2 3.8Å; F434-V438 HydrophobicContact CE2-CG2 4.47Å; F434-V438 HydrophobicContact CZ-CG2 3.98Å; F434-V438 WeakPolarHBondContact O-CG2 3.39Å; F434-V438 PolarHBondContact O-N 3.32Å
435D60.1Low51.9Low86 Ų86122.1 Ų122.146%0.4659%0.59SS.*Hα-helixtrans-64.3-36.8177.5-99.7-31.2000112R431 Y437 V438 N439R431-D435 PolarHBondContact O-N 3.41Å; D435-Y437 VanDerWaalsContact C-N 3.33Å; D435-V438 PolarHBondContact O-N 3.37Å; D435-N439 VanDerWaalsContact O-CB 3.3Å; D435-N439 WeakPolarHBondContact O-CB 3.31Å; D435-N439 PolarHBondContact O-N 3.46Å; D435-N439 PolarHBondContact O-ND2 3.31Å
436Q57.5Low51.4Low130 Ų130123.2 Ų123.261%0.60760%0.597SS**Hα-helixtrans-62.2-42.9172.5-176.2172.778.400110.7H432 E433 F434 M440H432-Q436 WeakPolarHBondContact O-CB 3.41Å; H432-Q436 PolarHBondContact O-N 3.21Å; E433-Q436 PolarHBondContact O-N 3Å; F434-Q436 VanDerWaalsContact C-N 3.33Å; F434-Q436 PolarHBondContact O-N 3.15Å; Q436-M440 HydrophobicContact CG-CE 4.12Å; Q436-M440 VanDerWaalsContact O-CB 3.24Å; Q436-M440 WeakPolarHBondContact O-CB 3.48Å; Q436-M440 PolarHBondContact O-N 3.39Å
437Y49.7Very low51.3Low196 Ų196120.9 Ų120.977%0.76960%0.598SS**Hα-helixtrans-65.8-40.8178.6-160.3-91.6000112.7E433 F434 D435E433-Y437 WeakPolarHBondContact O-CB 3.47Å; E433-Y437 PolarHBondContact O-N 3.41Å; F434-Y437 WeakPolarHBondContact O-CB 3.17Å; F434-Y437 PolarHBondContact O-N 3.3Å; F434-Y437 VanDerWaalsContact O-N 3.13Å; D435-Y437 VanDerWaalsContact C-N 3.33Å
438V58.5Low50.6Low64 Ų64129.1 Ų129.139%0.38862%0.623SS.*Hα-helixtrans-69.1-44.5177.6172.10000111.7F434 D435 G441F434-V438 HydrophobicContact CD1-CG2 4.14Å; F434-V438 HydrophobicContact CE1-CG2 3.8Å; F434-V438 HydrophobicContact CE2-CG2 4.47Å; F434-V438 HydrophobicContact CZ-CG2 3.98Å; F434-V438 WeakPolarHBondContact O-CG2 3.39Å; F434-V438 PolarHBondContact O-N 3.32Å; D435-V438 PolarHBondContact O-N 3.37Å; V438-G441 PolarHBondContact O-N 3.08Å
439N51.8Low49.8Very low88 Ų88128.3 Ų128.347%0.47164%0.64SS.*Hα-helixtrans-77-27.8-177.1-72-69.7000113.3D435 G441 R442D435-N439 VanDerWaalsContact O-CB 3.3Å; D435-N439 WeakPolarHBondContact O-CB 3.31Å; D435-N439 PolarHBondContact O-N 3.46Å; D435-N439 PolarHBondContact O-ND2 3.31Å; N439-G441 PolarHBondContact O-N 3.38Å; N439-G441 VanDerWaalsContact O-N 3.15Å; N439-R442 PolarHBondContact O-N 2.93Å
440M54.7Low48.9Very low136 Ų136133.6 Ų133.667%0.6767%0.665SS**Hα-helixtrans-60-23.3171.3-159.468.160.100112.5Q436 R442Q436-M440 HydrophobicContact CG-CE 4.12Å; Q436-M440 VanDerWaalsContact O-CB 3.24Å; Q436-M440 WeakPolarHBondContact O-CB 3.48Å; Q436-M440 PolarHBondContact O-N 3.39Å; M440-R442 VanDerWaalsContact C-N 3.32Å
441G45.6Very low47.5Very low71 Ų71134.6 Ų134.673%0.73268%0.675SS**THydrogen-bonded Turntrans-77.4-9173.400000115.2V438 N439V438-G441 PolarHBondContact O-N 3.08Å; N439-G441 PolarHBondContact O-N 3.38Å; N439-G441 VanDerWaalsContact O-N 3.15Å
442R47.3Very low46.2Very low207 Ų207131.3 Ų131.378%0.78169%0.688SS**THydrogen-bonded Turntrans-112.7-12.1-173.1-74.6-174.8172.7-111.81.6115.6N439 M440N439-R442 PolarHBondContact O-N 2.93Å; M440-R442 VanDerWaalsContact C-N 3.32Å
443S36.6Very low45Very low96 Ų96128.9 Ų128.967%0.67170%0.695SS**  trans-117.891.7179.6-164.80000111.4
444R37.5Very low43.3Very low208 Ų208130 Ų13079%0.78572%0.715SS**  trans-152.145.3165.2-143-157.988-1708113.5E446R444-E446 PolarHBondContact O-N 3.24Å; R444-E446 VanDerWaalsContact O-N 3.09Å
445D35.4Very low42.3Very low146 Ų146126.8 Ų126.878%0.78172%0.723SS**  trans-67.6100.4170.9-60.1-73.9000110.3P447D445-P447 WeakPolarHBondContact O-CD 3.47Å
446E32.7Very low41.2Very low154 Ų154126.9 Ų126.972%0.7275%0.745SS**  trans-88.5115.1169.3-78.5-81137.500109.1R444R444-E446 PolarHBondContact O-N 3.24Å; R444-E446 VanDerWaalsContact O-N 3.09Å
447P46.3Very low39.9Very low83 Ų83124.5 Ų124.554%0.53976%0.755SS.*  trans-80.2166.8174.432.3-34.1000112.8D445D445-P447 WeakPolarHBondContact O-CD 3.47Å
448Y37.8Very low39.3Very low230 Ų230120.3 Ų120.390%0.90276%0.755SS**  trans76.2129.4174.3-43.4-70.1000117.4
449G32.7Very low38.2Very low79 Ų79126.6 Ų126.681%0.81478%0.777SS**  trans133.765.7162.500000116.3
450L40Very low37.3Very low171 Ų171128.9 Ų128.990%0.89579%0.794SS**  trans-71.1136.3174.3-140.179.6000111.7
451V35.3Very low36.4Very low141 Ų141130.6 Ų130.686%0.85581%0.805SS**  trans157.9137.1134156.80000111.8
452G32Very low35.6Very low79 Ų79131.2 Ų131.281%0.81481%0.811SS**  trans96109.1157.900000115.6
453G32.4Very low34.7Very low70 Ų70124.6 Ų124.672%0.72281%0.807SS**  trans-126.3-172.8171.600000112.6
454C33.7Very low34.5Very low147 Ų147125.6 Ų125.699%0.99381%0.813SS**  trans71145.9172.6-55.80000117.2
455G31.6Very low34.2Very low80 Ų80123.1 Ų123.183%0.82582%0.815SS**  trans123.874.7164.100000116.3
456G36.1Very low34.1Very low89 Ų89120.2 Ų120.292%0.91881%0.811SS**  trans-77.5131.2157.100000110
457G30.4Very low34.1Very low79 Ų79121.6 Ų121.681%0.81482%0.822SS**  trans-162112.8-177.200000113.2
458S36.2Very low33.2Very low109 Ų109121.1 Ų121.176%0.76283%0.832SS**  trans-86.3165.8175.9-620000112.2
459K35.6Very low32.8Very low195 Ų195113.8 Ų113.885%0.84883%0.826SS**  trans58.7125.7154.259.7176.5176.2-174.10119
460V34.1Very low32.8Very low136 Ų136116.2 Ų116.282%0.82483%0.831SS**  179.8152.8113.1147.60000110.1
461L35.9Very low32.3Very low173 Ų173111.7 Ų111.791%0.90683%0.825SS**  trans-83.2147.5173.6-72.477.3000111
462G28.6Very low32.4Very low83 Ų83109.8 Ų109.886%0.85682%0.818SS**  trans-161.9136.6165.800000109.9
463G28.8Very low32.7Very low68 Ų68114.1 Ų114.170%0.70182%0.823SS**  trans-139.6165.3-172.900000114.3
464C32.2Very low32.7Very low117 Ų117115 Ų11579%0.79182%0.818SS**  trans60.3134.2164.567.50000121.9
465N31.4Very low32.7Very low157 Ų157116.3 Ų116.384%0.8481%0.813SS**  trans76.8151.8148.8-63.91.4000121.8
466A31.9Very low32.8Very low84 Ų84118.9 Ų118.969%0.69481%0.807SS**  cis-178.2105.1-37.300000111.2
467I32.7Very low32.4Very low184 Ų184119.5 Ų119.594%0.94480%0.797SS**  trans-152.7142.2162.3-48.1175.8000106.6
468G28.6Very low32.5Very low73 Ų73122.1 Ų122.175%0.75380%0.797SS**  cis163.1146.9-6.400000110.4
469G28.1Very low32.3Very low76 Ų76124.2 Ų124.278%0.78480%0.798SS**  trans110.795-175.600000111.9
470S32.4Very low32.4Very low130 Ų130122.5 Ų122.591%0.90980%0.797SS**  86.5118.467.9-1690000112.3
471G31.1Very low32.3Very low75 Ų75123 Ų12377%0.77380%0.795SS**  trans169.465.9-170.100000111.6
472S36.6Very low32.1Very low102 Ų102126.2 Ų126.271%0.71380%0.795SS**  trans-69.8136.7-173.7-50.90000113.3
473N38.5Very low32.2Very low170 Ų170128.7 Ų128.791%0.90979%0.788SS**  -170.6151.6116.2-92.5-32.3000112.7
474S31.9Very low32.2Very low89 Ų89131.7 Ų131.762%0.62279%0.793SS**  trans-95.9142.9-172.1175.90000112.8
475I34.4Very low32.1Very low173 Ų173131.9 Ų131.989%0.88780%0.796SS**  -138.1144.5126.4-63.3-167.8000107.7
476I32.7Very low31.9Very low135 Ų135130.2 Ų130.269%0.69280%0.796SS**  trans-120.3147.3-172.3-80.2173.4000111.6
477S28.2Very low31.9Very low102 Ų102133.4 Ų133.471%0.71380%0.8SS**  trans60.7119.1161.9-70.40000120.6
478T32.2Very low32Very low134 Ų134132.9 Ų132.982%0.82280%0.796SS**  -155.3131.1102.71.10000111.8
479I33.2Very low32.1Very low153 Ų153135 Ų13579%0.78580%0.799SS**  trans-128120.3167-63.2173.7000107
480I37.1Very low32.1Very low158 Ų158135.3 Ų135.381%0.8180%0.802SS**  trans-138.8131.3160.7-61.5-175.2000107.6
481N31.2Very low32.1Very low148 Ų148134.4 Ų134.479%0.79180%0.803SS**  trans-76.5156.3178.6-65.1-66.1000111.9
482R32.1Very low32.1Very low239 Ų239134.5 Ų134.590%0.90280%0.803SS**  trans-150.7151.4147-142.3167.1-178.4161.30.6112.9
483D29.9Very low31.8Very low135 Ų135133.5 Ų133.572%0.72281%0.809SS**  trans-68152.2-168-47.3-85.8000112.3
484V30.4Very low31.7Very low131 Ų131131.4 Ų131.479%0.79481%0.806SS**  cis63.874.947-170.50000113.2
485S29.1Very low31.9Very low121 Ų121134.4 Ų134.485%0.84682%0.815SS**  trans-177.4113.7140.2-85.30000113.5
486S27.1Very low32.4Very low122 Ų122133.8 Ų133.885%0.85381%0.814SS**  trans-171.2145.6137.7-167.50000109.6
487I33.3Very low33.3Very low152 Ų152130.9 Ų130.978%0.77982%0.817SS**  trans-142.8160.8-169-51.5179.8000109.3
488M32.9Very low33.9Very low173 Ų173130.8 Ų130.885%0.85282%0.816SS**  trans79.5148176.3-44.2-17765.700113.8
489S32.8Very low35Very low118 Ų118127.6 Ų127.683%0.82580%0.799SS**  cis-138.4169.811.1-70.90000112.6
490G28Very low36.2Very low81 Ų81125.6 Ų125.684%0.83580%0.797SS**  trans126122.4162.800000115.1
491A31.8Very low37.1Very low112 Ų112124.2 Ų124.293%0.92679%0.79SS**  trans-149.1168.2-177.300000113.2
492G31Very low38.3Very low76 Ų76122.2 Ų122.278%0.78478%0.778SS**  trans125.3127.9-166.400000108.1
493G30.7Very low39.7Very low82 Ų82114.1 Ų114.185%0.84576%0.759SS**  cis106.4123.130.500000107.2
494C34.7Very low41.1Very low125 Ų125110.6 Ų110.685%0.84575%0.748SS**  cis-137.9174.4642.50000111.2
495D37.2Very low42.3Very low152 Ų152110 Ų11081%0.81374%0.74SS**  trans-108.7147.1176.648.8-65.6000112.3
496D44.7Very low43.8Very low161 Ų161107.1 Ų107.186%0.86172%0.72SS**  trans-132125.6167.7-109.6-50.5000108.4S498D496-S498 PolarHBondContact O-N 3.4Å
497G51.3Low45.4Very low73 Ų73107.3 Ų107.375%0.75371%0.711SS**  trans-101.476.3-162.800000114.8S499G497-S499 PolarHBondContact O-N 3.22Å
498S42.4Very low46.4Very low100 Ų100102.7 Ų102.770%0.69970%0.696SS**  trans-84.6104.1171.9-50.40000111.6D496D496-S498 PolarHBondContact O-N 3.4Å
499S54.1Low47.3Very low67 Ų6797.9 Ų97.947%0.46968%0.679SS.*  trans-64.7133.9175.9-68.40000111.7G497 L501 I502G497-S499 PolarHBondContact O-N 3.22Å; S499-L501 PolarHBondContact O-N 3.3Å; S499-L501 VanDerWaalsContact O-N 3.1Å; S499-I502 WeakPolarHBondContact O-CB 3.43Å; S499-I502 PolarHBondContact O-N 3.12Å
500P58.2Low48.4Very low112 Ų11295 Ų9573%0.72766%0.659SS**Hα-helixtrans-64.2-22.2-171.824.6-34.6000114.4I502 A504P500-I502 VanDerWaalsContact C-N 3.32Å; P500-A504 PolarHBondContact O-N 3.42Å; P500-A504 VanDerWaalsContact O-N 3.13Å
501L56.2Low49.5Very low128 Ų12894.2 Ų94.267%0.6764%0.644SS**Hα-helixtrans-62.5-37171.3-104.7162.8000112.6S499 A504 L505S499-L501 PolarHBondContact O-N 3.3Å; S499-L501 VanDerWaalsContact O-N 3.1Å; L501-A504 PolarHBondContact O-N 3.02Å; L501-L505 WeakPolarHBondContact O-CG 3.34Å; L501-L505 PolarHBondContact O-N 2.92Å; L501-L505 VanDerWaalsContact O-N 3.08Å
502I56.5Low50.7Low106 Ų10693.7 Ų93.754%0.54463%0.63SS.*Hα-helixtrans-69.4-44.3-179.6-58173.2000109.3S499 P500 A504 L505 S506S499-I502 WeakPolarHBondContact O-CB 3.43Å; S499-I502 PolarHBondContact O-N 3.12Å; P500-I502 VanDerWaalsContact C-N 3.32Å; I502-A504 VanDerWaalsContact C-N 3.34Å; I502-A504 PolarHBondContact O-N 3.41Å; I502-L505 PolarHBondContact O-N 3.07Å; I502-S506 PolarHBondContact O-N 2.99Å; I502-S506 PolarHBondContact O-OG 3.13Å
503S61.5Low51.4Low70 Ų7098 Ų9849%0.4962%0.624SS.*Hα-helixtrans-60.6-40.7175.6-54.10000112.7S506 D507S503-S506 PolarHBondContact O-N 3.42Å; S503-D507 WeakPolarHBondContact O-CB 3.45Å; S503-D507 PolarHBondContact O-N 3.45Å
504A59.4Low52.2Low61 Ų61102 Ų10250%0.50461%0.614SS.*Hα-helixtrans-66.2-37.6177.200000112.8P500 L501 I502 A508P500-A504 PolarHBondContact O-N 3.42Å; P500-A504 VanDerWaalsContact O-N 3.13Å; L501-A504 PolarHBondContact O-N 3.02Å; I502-A504 VanDerWaalsContact C-N 3.34Å; I502-A504 PolarHBondContact O-N 3.41Å; A504-A508 PolarHBondContact O-N 3.18Å; A504-A508 VanDerWaalsContact O-N 3.14Å
505L54.8Low52.9Low118 Ų11899.5 Ų99.562%0.61860%0.598SS**Hα-helixtrans-71.5-36175.5-69.8170.3000112.2L501 I502 S509L501-L505 WeakPolarHBondContact O-CG 3.34Å; L501-L505 PolarHBondContact O-N 2.92Å; L501-L505 VanDerWaalsContact O-N 3.08Å; I502-L505 PolarHBondContact O-N 3.07Å; L505-S509 WeakPolarHBondContact O-CB 3.45Å; L505-S509 PolarHBondContact O-N 3.13Å; L505-S509 PolarHBondContact O-OG 3.33Å
506S62.2Low53.4Low61 Ų6195.4 Ų95.443%0.42759%0.585SS.*Hα-helixtrans-61-49171-620000111.5I502 S503 A508 S509 S510I502-S506 PolarHBondContact O-N 2.99Å; I502-S506 PolarHBondContact O-OG 3.13Å; S503-S506 PolarHBondContact O-N 3.42Å; S506-A508 VanDerWaalsContact C-N 3.35Å; S506-A508 PolarHBondContact O-N 3.14Å; S506-S509 WeakPolarHBondContact CA-OG 3.38Å; S506-S509 PolarHBondContact O-N 3.26Å; S506-S509 VanDerWaalsContact O-N 3.13Å; S506-S509 PolarHBondContact O-OG 3.08Å; S506-S510 PolarHBondContact O-N 2.99Å; S506-S510 PolarHBondContact O-OG 2.84Å
507D59.3Low53.6Low126 Ų12691.9 Ų91.967%0.67457%0.573SS**Hα-helixtrans-57.6-45.5179.8-156.256.3000111.9S503 S510 A511S503-D507 WeakPolarHBondContact O-CB 3.45Å; S503-D507 PolarHBondContact O-N 3.45Å; D507-S510 PolarHBondContact O-N 2.78Å; D507-A511 PolarHBondContact O-N 3.48Å; D507-A511 VanDerWaalsContact O-N 3.08Å
508A54.4Low53.5Low55 Ų5595.3 Ų95.346%0.45557%0.572SS.*Hα-helixtrans-62.7-42.4174.500000113.1A504 S506 A511 V512A504-A508 PolarHBondContact O-N 3.18Å; A504-A508 VanDerWaalsContact O-N 3.14Å; S506-A508 VanDerWaalsContact C-N 3.35Å; S506-A508 PolarHBondContact O-N 3.14Å; A508-A511 PolarHBondContact O-N 3.4Å; A508-V512 PolarHBondContact O-N 2.72Å
509S53.3Low53.7Low71 Ų7196.6 Ų96.650%0.49758%0.576SS.*Hα-helixtrans-65.7-37.1177.669.60000112.9L505 S506 Y513L505-S509 WeakPolarHBondContact O-CB 3.45Å; L505-S509 PolarHBondContact O-N 3.13Å; L505-S509 PolarHBondContact O-OG 3.33Å; S506-S509 WeakPolarHBondContact CA-OG 3.38Å; S506-S509 PolarHBondContact O-N 3.26Å; S506-S509 VanDerWaalsContact O-N 3.13Å; S506-S509 PolarHBondContact O-OG 3.08Å; S509-Y513 PolarHBondContact O-N 2.8Å; S509-Y513 VanDerWaalsContact O-N 3.12Å
510S54.5Low53.1Low59 Ų59100.6 Ų100.641%0.41363%0.628SS.*Hα-helixtrans-64.9-43.2174.1-67.30000111.9S506 D507 V512 Y513 Y514S506-S510 PolarHBondContact O-N 2.99Å; S506-S510 PolarHBondContact O-OG 2.84Å; D507-S510 PolarHBondContact O-N 2.78Å; S510-V512 VanDerWaalsContact C-N 3.35Å; S510-V512 PolarHBondContact O-N 3.1Å; S510-Y513 PolarHBondContact O-N 2.95Å; S510-Y514 WeakPolarHBondContact O-CD2 3.41Å; S510-Y514 PolarHBondContact O-N 2.88Å
511A52.5Low52.8Low63 Ų63100.1 Ų100.152%0.52162%0.623SS.*Hα-helixtrans-59.8-42.7178.500000112.6D507 A508 S515D507-A511 PolarHBondContact O-N 3.48Å; D507-A511 VanDerWaalsContact O-N 3.08Å; A508-A511 PolarHBondContact O-N 3.4Å; A511-S515 PolarHBondContact O-N 3.14Å; A511-S515 VanDerWaalsContact O-N 3.15Å
512V56.4Low52.6Low102 Ų10298.6 Ų98.662%0.61862%0.62SS**Hα-helixtrans-65-44.5175.5177.50000110.9A508 S510 Y514 S515 A516A508-V512 PolarHBondContact O-N 2.72Å; S510-V512 VanDerWaalsContact C-N 3.35Å; S510-V512 PolarHBondContact O-N 3.1Å; V512-Y514 PolarHBondContact O-N 2.71Å; V512-S515 PolarHBondContact O-N 2.87Å; V512-S515 VanDerWaalsContact O-N 3.16Å; V512-S515 PolarHBondContact O-OG 3.26Å; V512-A516 PolarHBondContact O-N 2.93Å
513Y45.1Very low52.4Low167 Ų16798.2 Ų98.266%0.65563%0.625SS**Hα-helixtrans-59.3-44.5178.8-165.4-99.7000112.6S509 S510 S515 A516 C517S509-Y513 PolarHBondContact O-N 2.8Å; S509-Y513 VanDerWaalsContact O-N 3.12Å; S510-Y513 PolarHBondContact O-N 2.95Å; Y513-S515 VanDerWaalsContact C-N 3.33Å; Y513-S515 PolarHBondContact O-N 2.96Å; Y513-A516 PolarHBondContact O-N 2.92Å; Y513-C517 PolarHBondContact O-SG 3.48Å
514Y47.9Very low51.9Low164 Ų16499.8 Ų99.864%0.64363%0.633SS**Hα-helixtrans-67.2-29.8176.6-75.1-63.3000113.8S510 V512 A516 C517S510-Y514 WeakPolarHBondContact O-CD2 3.41Å; S510-Y514 PolarHBondContact O-N 2.88Å; V512-Y514 PolarHBondContact O-N 2.71Å; Y514-A516 VanDerWaalsContact C-N 3.34Å; Y514-C517 PolarHBondContact O-N 2.89Å
515S48.5Very low51.4Low73 Ų73102.3 Ų102.351%0.5164%0.641SS.*Hα-helixtrans-66.1-34.2174.871.90000113.2A511 V512 Y513 C517A511-S515 PolarHBondContact O-N 3.14Å; A511-S515 VanDerWaalsContact O-N 3.15Å; V512-S515 PolarHBondContact O-N 2.87Å; V512-S515 VanDerWaalsContact O-N 3.16Å; V512-S515 PolarHBondContact O-OG 3.26Å; Y513-S515 VanDerWaalsContact C-N 3.33Å; Y513-S515 PolarHBondContact O-N 2.96Å; S515-C517 VanDerWaalsContact C-N 3.32Å; S515-C517 PolarHBondContact O-N 3.49Å
516A47.8Very low51.2Low66 Ų66101.2 Ų101.255%0.54564%0.642SS.*Hα-helixtrans-71.2-25.8178.700000113.2V512 Y513 Y514 I518V512-A516 PolarHBondContact O-N 2.93Å; Y513-A516 PolarHBondContact O-N 2.92Å; Y514-A516 VanDerWaalsContact C-N 3.34Å; A516-I518 VanDerWaalsContact C-N 3.3Å; A516-I518 PolarHBondContact O-N 3.41Å
517C49.4Very low50.4Low88 Ų88104.1 Ų104.160%0.59566%0.657SS**THydrogen-bonded Turntrans-82.42.5-178.9-62.40000114.8Y513 Y514 S515Y513-C517 PolarHBondContact O-SG 3.48Å; Y514-C517 PolarHBondContact O-N 2.89Å; S515-C517 VanDerWaalsContact C-N 3.32Å; S515-C517 PolarHBondContact O-N 3.49Å
518I49.7Very low49.7Very low145 Ų145102.4 Ų102.474%0.74466%0.656SS**THydrogen-bonded Turntrans-101.8-12.9-179.4-65.2173.8000111.9A516A516-I518 VanDerWaalsContact C-N 3.3Å; A516-I518 PolarHBondContact O-N 3.41Å
519T45.6Very low49.3Very low127 Ų127106.3 Ų106.378%0.77967%0.673SS**  trans-122.480.6174.354.50000110.8
520G41.3Very low49Very low151 Ų151109.5 Ų109.5100%1.55769%0.689SS**  trans-157.6017500000111

Retrieved 520 of 520 residues in 633.8 ms (Link to these results)