A0A077Z6Z5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6Z5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M34.9Very low34.7Very low229 Ų229176.5 Ų176.5100%1.12876%0.762SS**  0105.90-91.9172.5154.800108.3
2Y25.7Very low35Very low210 Ų210174.2 Ų174.282%0.82475%0.745SS**  trans-139.6134.1167.5-85.6-83.4000111.7H4Y2-H4 PolarHBondContact O-N 3.15Å
3P36.1Very low35Very low101 Ų101171.1 Ų171.166%0.65674%0.742SS**  trans-98.910.4-149.7-0.724.9000113.7W5P3-W5 PolarHBondContact O-N 3.15Å
4H31Very low35.1Very low140 Ų140163 Ų16365%0.64873%0.732SS**G310 helixtrans-79.6-12.9-167.8-66.1-76.8000115Y2 R6Y2-H4 PolarHBondContact O-N 3.15Å; H4-R6 VanDerWaalsContact C-N 3.35Å; H4-R6 PolarHBondContact O-N 2.74Å
5W32.5Very low35.3Very low223 Ų223164.2 Ų164.285%0.84574%0.735SS**G310 helixtrans-78.5-18.9-177.6-72.258.4000113.2P3P3-W5 PolarHBondContact O-N 3.15Å
6R37.2Very low35.3Very low224 Ų224164.1 Ų164.185%0.84574%0.737SS**G310 helixtrans-85.7-15-179.2-73.8-172173.5-164.9-1.5114.4H4H4-R6 VanDerWaalsContact C-N 3.35Å; H4-R6 PolarHBondContact O-N 2.74Å
7W33.4Very low34.9Very low199 Ų199165.1 Ų165.175%0.75474%0.74SS**Hα-helixtrans-75.3-31.4-179.3-156.2-64.2000112.7
8N38.9Very low34.5Very low122 Ų122167 Ų16765%0.65275%0.747SS**Hα-helixtrans-81.4-16.2-176-77.9-26.3000114.6
9Y35.4Very low34.2Very low185 Ų185164.7 Ų164.773%0.72575%0.747SS**Hα-helixtrans-78.1-36.1-178.4-156.4-97.8000112.6
10R38.5Very low33.7Very low219 Ų219167.1 Ų167.183%0.82676%0.756SS**Hα-helixtrans-79-27.1179.4-85.8-177.5170.7174.4-3.2114
11N38.6Very low33.4Very low90 Ų90166.6 Ų166.648%0.48176%0.759SS.*Hα-helixtrans-82.9-15.1178.8-86.9-13.3000114.5
12R38Very low32.8Very low148 Ų148167.4 Ų167.456%0.55875%0.749SS**Hα-helixtrans-77.4-32.2-179-133.4175.7-175.6-167.1-2.2113.1N216R12-N216 PolarHBondContact NH1-O 3Å; R12-N216 PolarHBondContact NH2-O 3.36Å
13L35.3Very low32.8Very low134 Ų134161.7 Ų161.770%0.70274%0.74SS**SBendtrans-77.8-20.6176.3-77.5154.9000113
14G36.2Very low32.3Very low58 Ų58162 Ų16260%0.59875%0.745SS**SBendtrans-84.3-15.4179.700000115.4
15K37.5Very low31.9Very low181 Ų181163.1 Ų163.179%0.78776%0.755SS**SBendtrans-102.93.7-174-68.6-168.5176.8-171.60115
16Q35Very low31.6Very low163 Ų163158.4 Ų158.476%0.76275%0.75SS**SBendtrans-91.48.8174.1-76.2-170.3-24.200114.1
17K29.6Very low31Very low180 Ų180154.2 Ų154.278%0.78375%0.749SS**SBendtrans-110.4124.2174.3-80.5-179.7173.9177.80109.6
18K27.9Very low30.7Very low200 Ų200149 Ų14987%0.8775%0.749SS**  trans84.5106.4177.2-49.3168.1-177.7-175.20110.3
19V27.2Very low29.9Very low123 Ų123148 Ų14875%0.74575%0.752SS**  -151.4124.877.5175.50000110.5L21V19-L21 HydrophobicContact CG1-CD1 4.15Å; V19-L21 HydrophobicContact CG1-CG 3.82Å
20K25.6Very low29.5Very low212 Ų212143.9 Ų143.992%0.92275%0.747SS**  trans-80.3111.3161.2-101.2177.4172.6175.70107.1
21L26.8Very low28.9Very low158 Ų158141.3 Ų141.383%0.82775%0.748SS**  trans-104.8111.3163.5-86.2162.5000108.2V19V19-L21 HydrophobicContact CG1-CD1 4.15Å; V19-L21 HydrophobicContact CG1-CG 3.82Å
22R22.9Very low28.4Very low245 Ų245146.9 Ų146.993%0.92576%0.764SS**  trans-71.2123.5162.8-76.9177.6161.6171.7-6.3107.2
23S25.6Very low27.8Very low90 Ų90144.2 Ų144.263%0.62977%0.768SS**  trans-139.998.1157.870.20000109.8
24S24.7Very low27.4Very low108 Ų108143.2 Ų143.276%0.75577%0.77SS**  trans-67.7135.3147.7490000107.4
25L23.8Very low26.9Very low164 Ų164147.3 Ų147.386%0.85978%0.776SS**  trans85.578.2-179.9-51.7157.7000114.8
26V25.8Very low26.4Very low124 Ų124145.8 Ų145.875%0.75278%0.775SS**  trans-127.9111.5150.9-179.50000106.8A28V26-A28 PolarHBondContact O-N 2.99Å
27V23.3Very low26Very low135 Ų135145.3 Ų145.382%0.81877%0.773SS**  trans-63.4118.7177.9175.30000108.4S29V27-S29 PolarHBondContact O-N 3.3Å
28A27.2Very low25.8Very low91 Ų91145.2 Ų145.275%0.75278%0.775SS**  trans-69.7115.4168.700000108.1V26V26-A28 PolarHBondContact O-N 2.99Å
29S23.6Very low25.8Very low101 Ų101143.2 Ų143.271%0.70677%0.773SS**  trans-60136.9167.6-155.70000108.5V27 I31V27-S29 PolarHBondContact O-N 3.3Å; S29-I31 PolarHBondContact O-N 3.18Å
30P26Very low25.7Very low98 Ų98143 Ų14364%0.63678%0.777SS**  trans-75.699.9-169.731.3-31.3000108.5Y32P30-Y32 VanDerWaalsContact C-N 3.28Å; P30-Y32 HydrophobicContact CB-CD2 4.34Å; P30-Y32 HydrophobicContact CB-CE2 4.29Å; P30-Y32 HydrophobicContact CG-CE2 4.21Å; P30-Y32 PolarHBondContact O-N 3.23Å; P30-Y32 VanDerWaalsContact O-N 3.1Å
31I27Very low25.8Very low165 Ų165136.1 Ų136.185%0.84677%0.766SS**  trans-75.896.1160.2-60.7176.2000104.5S29 S33S29-I31 PolarHBondContact O-N 3.18Å; I31-S33 PolarHBondContact O-N 3.47Å
32Y27.1Very low25.9Very low206 Ų206137.5 Ų137.581%0.80877%0.769SS**  trans-52.2103.7170.9-83.3-99.9000109P30P30-Y32 VanDerWaalsContact C-N 3.28Å; P30-Y32 HydrophobicContact CB-CD2 4.34Å; P30-Y32 HydrophobicContact CB-CE2 4.29Å; P30-Y32 HydrophobicContact CG-CE2 4.21Å; P30-Y32 PolarHBondContact O-N 3.23Å; P30-Y32 VanDerWaalsContact O-N 3.1Å
33S25.1Very low26.3Very low92 Ų92131.3 Ų131.364%0.64376%0.76SS**  trans-80.9118.3163.148.50000107.7I31 I35I31-S33 PolarHBondContact O-N 3.47Å; S33-I35 PolarHBondContact O-N 3.45Å; S33-I35 VanDerWaalsContact O-N 3.08Å
34P28.6Very low26.7Very low114 Ų114134.1 Ų134.174%0.7477%0.767SS**  trans-66.4114.3167.226.9-28.4000107I36P34-I36 PolarHBondContact O-N 3.41Å; P34-I36 VanDerWaalsContact O-N 3.14Å
35I25.6Very low27Very low144 Ų144138 Ų13874%0.73877%0.773SS**  trans-63.6110172.4-65.1169.3000105.8S33 E37S33-I35 PolarHBondContact O-N 3.45Å; S33-I35 VanDerWaalsContact O-N 3.08Å; I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 HydrophobicContact CG2-CG 4.29Å; I35-E37 PolarHBondContact O-N 2.98Å; I35-E37 VanDerWaalsContact O-N 3.09Å
36I25.4Very low27.4Very low149 Ų149135.6 Ų135.676%0.76477%0.766SS**  trans-76.791.6172.3-59.3171.6000105.9P34 Q38P34-I36 PolarHBondContact O-N 3.41Å; P34-I36 VanDerWaalsContact O-N 3.14Å; I36-Q38 PolarHBondContact O-N 3Å; I36-Q38 VanDerWaalsContact O-N 3.13Å
37E28.2Very low27.6Very low153 Ų153133.8 Ų133.872%0.71576%0.764SS**  trans-66.5107.5164-81.1-173.3160.300108I35 L39I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 HydrophobicContact CG2-CG 4.29Å; I35-E37 PolarHBondContact O-N 2.98Å; I35-E37 VanDerWaalsContact O-N 3.09Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.15Å
38Q24.8Very low27.8Very low177 Ų177134.5 Ų134.583%0.82776%0.762SS**  trans-66.990168.4-69.1179.7-64.400108.3I36 S40I36-Q38 PolarHBondContact O-N 3Å; I36-Q38 VanDerWaalsContact O-N 3.13Å; Q38-S40 PolarHBondContact O-N 3.12Å
39L28.1Very low28Very low159 Ų159139.4 Ų139.483%0.83277%0.766SS**  trans-74.878.5168.9-69.1175.4000109.5E37E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.15Å
40S25.3Very low28.1Very low118 Ų118144.7 Ų144.783%0.82577%0.773SS**  trans-80.9111.1155.559.30000108.3Q38Q38-S40 PolarHBondContact O-N 3.12Å
41G26.4Very low28.4Very low67 Ų67146.5 Ų146.569%0.69178%0.782SS**SBendtrans138.4102.4164.200000115.2
42E30.4Very low28.5Very low188 Ų188143.8 Ų143.888%0.87978%0.778SS**  trans75.8137.1156.6-56.1-154.2149.400119.9L44E42-L44 PolarHBondContact O-N 3.06Å
43P30.9Very low29Very low115 Ų115143.3 Ų143.375%0.74778%0.783SS**  trans-82.9114-175.633.4-29.9000110.1E45P43-E45 PolarHBondContact O-N 3.08Å
44L32.8Very low29.5Very low148 Ų148147.4 Ų147.478%0.77579%0.792SS**  trans-88.286.3174.8-129.7104.1000110.3E42 T46E42-L44 PolarHBondContact O-N 3.06Å; L44-T46 PolarHBondContact O-N 3.05Å
45E31.8Very low29.7Very low189 Ų189147.3 Ų147.388%0.88379%0.794SS**  trans-67.326.8172-69.3-172.9145.100114.3P43P43-E45 PolarHBondContact O-N 3.08Å
46T31.2Very low30.1Very low114 Ų114147.7 Ų147.770%0.69980%0.797SS**  trans-135.917.7-157.930.40000118.6L44L44-T46 PolarHBondContact O-N 3.05Å
47A31.6Very low30.4Very low86 Ų86146 Ų14671%0.71179%0.794SS**  trans-113.4-5.4-173.900000118
48L27.4Very low30.8Very low150 Ų150146.5 Ų146.579%0.78580%0.802SS**  trans-110.577.8178.4-68.9170.9000111.6Y50L48-Y50 HydrophobicContact CD2-CE2 4.32Å
49K29.9Very low31.3Very low194 Ų194146.2 Ų146.284%0.84381%0.805SS**  trans-106.698.5159.4-84.3-175.7177.1179.90108.8T51K49-T51 PolarHBondContact O-N 3.31Å
50Y27.3Very low31.9Very low213 Ų213144.1 Ų144.184%0.83580%0.801SS**  trans-68.1108.5162.8-78.2-92.2000108.3L48L48-Y50 HydrophobicContact CD2-CE2 4.32Å
51T32.3Very low32.6Very low136 Ų136148 Ų14883%0.83480%0.803SS**  trans-91.797.9166.950.60000108.2K49K49-T51 PolarHBondContact O-N 3.31Å
52S28.9Very low33.5Very low108 Ų108149.9 Ų149.976%0.75580%0.803SS**  trans-86.8116155.4660000107
53E37.2Very low34.1Very low195 Ų195147 Ų14791%0.91180%0.8SS**  trans-159.1136.6155.3-111.7163.8-148.700109.6
54E35Very low34.4Very low179 Ų179149.2 Ų149.284%0.83681%0.806SS**  trans-64.6162.7-171.2-64.7166.7117.600112.7
55S32.3Very low35Very low111 Ų111148.8 Ų148.878%0.77680%0.804SS**  trans63107.9159.760.80000116.9
56D33.9Very low35.5Very low153 Ų153148 Ų14882%0.81881%0.806SS**  -163.3141103.6-131.4-27.4000112.3
57T33.7Very low36Very low114 Ų114147.6 Ų147.670%0.69980%0.804SS**  trans-64.5118.3177.1260000112.1
58D34.7Very low36.3Very low163 Ų163150 Ų15087%0.87281%0.805SS**  trans177.462.8150.2-93.3-21.8000111.9
59L36.5Very low36.7Very low170 Ų170146.6 Ų146.689%0.8980%0.798SS**  trans-109.4128167.3-82.7163.6000110.2K61L59-K61 PolarHBondContact O-N 2.81Å
60P40.1Very low37.1Very low116 Ų116141 Ų14175%0.75379%0.789SS**PPolyproline II helixtrans-66.4132.7-178.328.1-31.6000109.3
61K39.5Very low37.8Very low198 Ų198137.3 Ų137.386%0.86178%0.779SS**PPolyproline II helixtrans-55.9124.7177.8-141172.9-173.8-179.50109.4L59L59-K61 PolarHBondContact O-N 2.81Å
62P45Very low38.1Very low108 Ų108136.8 Ų136.870%0.70177%0.77SS**PPolyproline II helixtrans-64.2138.3172.726-31.2000109.1D64P62-D64 PolarHBondContact O-N 3.46Å
63P44.4Very low38.5Very low126 Ų126140 Ų14082%0.81877%0.771SS**PPolyproline II helixtrans-68.3130178.827.4-31.5000110.2D65P63-D65 PolarHBondContact O-N 3.41Å; P63-D65 VanDerWaalsContact O-N 3.15Å
64D37.7Very low38.5Very low163 Ų163137.8 Ų137.887%0.87276%0.764SS**  trans-66.498.2164.1-74.5-43.9000108.1P62P62-D64 PolarHBondContact O-N 3.46Å
65D44.4Very low38.6Very low138 Ų138136.8 Ų136.874%0.73876%0.76SS**  trans-166.6131.9153.3-118.3-25.1000111.7P63 T67P63-D65 PolarHBondContact O-N 3.41Å; P63-D65 VanDerWaalsContact O-N 3.15Å; D65-T67 VanDerWaalsContact C-N 3.34Å; D65-T67 PolarHBondContact O-N 2.91Å; D65-T67 PolarHBondContact O-OG1 2.78Å
66D42.7Very low38.6Very low172 Ų172138 Ų13892%0.9276%0.757SS**  trans-54.779.5-176.9-67.7-49.5000113.3
67T40.4Very low38.6Very low107 Ų107139 Ų13966%0.65676%0.757SS**  trans-119.7115.4-175.8-350000111.5D65 A69D65-T67 VanDerWaalsContact C-N 3.34Å; D65-T67 PolarHBondContact O-N 2.91Å; D65-T67 PolarHBondContact O-OG1 2.78Å; T67-A69 PolarHBondContact O-N 2.91Å
68D38.6Very low38.7Very low137 Ų137139.2 Ų139.273%0.73376%0.76SS**  trans-45.9128.8-177.6-87.6-44.3000113.7A70 E71D68-A70 PolarHBondContact O-N 3.05Å; D68-E71 PolarHBondContact O-N 3.27Å
69A35.7Very low38.7Very low78 Ų78141.5 Ų141.565%0.64576%0.762SS**THydrogen-bonded Turntrans-58.3-2.5177.700000115.1T67T67-A69 PolarHBondContact O-N 2.91Å
70A38.4Very low38.4Very low77 Ų77140.1 Ų140.164%0.63676%0.761SS**THydrogen-bonded Turntrans-78-22.2176.600000113.5D68D68-A70 PolarHBondContact O-N 3.05Å
71E41.9Very low38Very low134 Ų134137.8 Ų137.863%0.62676%0.757SS**SBendtrans-87.2-21.9179.4-70.3-161.215900114.1D68 F73 L74D68-E71 PolarHBondContact O-N 3.27Å; E71-F73 VanDerWaalsContact C-N 3.29Å; E71-F73 PolarHBondContact O-N 3.3Å; E71-L74 PolarHBondContact O-N 2.87Å
72L38.9Very low37.5Very low126 Ų126137.6 Ų137.666%0.6676%0.76SS**G310 helixtrans-68.8-22.8179.3-97.1157.6000113.8
73F36.8Very low37Very low176 Ų176141.8 Ų141.877%0.77277%0.767SS**G310 helixtrans-80.5-11.5176.7-88.1-85.8000114.2E71E71-F73 VanDerWaalsContact C-N 3.29Å; E71-F73 PolarHBondContact O-N 3.3Å
74L39Very low36.3Very low147 Ų147144.6 Ų144.677%0.7777%0.768SS**G310 helixtrans-91.5-6.9179.7-74.2168000113.9E71E71-L74 PolarHBondContact O-N 2.87Å
75Q36.2Very low35.9Very low158 Ų158142.9 Ų142.974%0.73876%0.764SS**SBendtrans-101.7-5.7-178.4-73.61770.200114.7Q77Q75-Q77 PolarHBondContact O-N 2.99Å
76L33.1Very low35.1Very low138 Ų138144.2 Ų144.272%0.72377%0.766SS**  trans-89.374.9176.4-67.4170.8000110.9
77Q34.1Very low34.5Very low174 Ų174145.2 Ų145.281%0.81376%0.764SS**  trans-74.4124.6163.7-71.4-163.50.700109.8Q75 K79Q75-Q77 PolarHBondContact O-N 2.99Å; Q77-K79 PolarHBondContact O-N 2.89Å
78P33.9Very low33.9Very low118 Ų118145.9 Ų145.977%0.76677%0.768SS**  trans-74.4115.9176.829.3-29.9000109.2V80P78-V80 PolarHBondContact O-N 2.75Å; P78-V80 VanDerWaalsContact O-N 3.16Å
79K36.6Very low33.5Very low210 Ų210144.1 Ų144.191%0.91377%0.773SS**  trans-63.8113.1167.1-81.1-179.7176.4173.90108.6Q77 G81Q77-K79 PolarHBondContact O-N 2.89Å; K79-G81 PolarHBondContact O-N 3.38Å; K79-G81 VanDerWaalsContact O-N 3.17Å
80V29.2Very low33.4Very low142 Ų142145.1 Ų145.186%0.86177%0.771SS**  trans-56.4111172.4179.90000109.1P78P78-V80 PolarHBondContact O-N 2.75Å; P78-V80 VanDerWaalsContact O-N 3.16Å
81G32.2Very low32.9Very low66 Ų66146.6 Ų146.668%0.6877%0.768SS**  trans-109.8112.6167.400000108.9K79 K83K79-G81 PolarHBondContact O-N 3.38Å; K79-G81 VanDerWaalsContact O-N 3.17Å; G81-K83 PolarHBondContact O-N 3.41Å
82E29.5Very low32.5Very low195 Ų195143.1 Ų143.191%0.91176%0.762SS**  trans-53116.3175.4-67.7171.314100110.6
83K34.2Very low32.3Very low196 Ų196142.2 Ų142.285%0.85276%0.758SS**  trans-122.8118.4162.8-81.7-171.7176.3-1790109.3G81 V85G81-K83 PolarHBondContact O-N 3.41Å; K83-V85 PolarHBondContact O-N 3.11Å
84H28.1Very low32.2Very low184 Ų184139.5 Ų139.585%0.85275%0.751SS**  trans-62.7120179.9-152.4-79.3000109.5
85V30.3Very low32Very low127 Ų127136.6 Ų136.677%0.7774%0.735SS**  trans-98.1114171.1178.40000106.9K83 E87K83-V85 PolarHBondContact O-N 3.11Å; V85-E87 PolarHBondContact O-N 2.86Å
86E27.8Very low31.9Very low167 Ų167133.3 Ų133.378%0.7872%0.723SS**  trans-74.8115.5164.8-87.9-173.1143.500108.7V88E86-V88 PolarHBondContact O-N 3Å
87E28.8Very low32Very low192 Ų192132.6 Ų132.690%0.89772%0.719SS**  trans-69.6103.5167.5-98.9-178.7147.400109.2V85 A89V85-E87 PolarHBondContact O-N 2.86Å; E87-A89 PolarHBondContact O-N 2.96Å
88V29.3Very low32Very low121 Ų121130.4 Ų130.473%0.73371%0.712SS**  trans-79.2107.8163.5-179.30000107.6E86 V90E86-V88 PolarHBondContact O-N 3Å; V88-V90 PolarHBondContact O-N 3.08Å
89A29.4Very low32Very low100 Ų100132 Ų13283%0.82671%0.707SS**  trans-68.395.8171.800000109.4E87 D91E87-A89 PolarHBondContact O-N 2.96Å; A89-D91 PolarHBondContact O-N 2.82Å
90V33.1Very low31.7Very low100 Ų100127.3 Ų127.361%0.60669%0.692SS**  trans-73.3118.4169.5-178.30000107.8V88 A92V88-V90 PolarHBondContact O-N 3.08Å; V90-A92 PolarHBondContact O-N 3.04Å
91D29Very low31.8Very low107 Ų107128.3 Ų128.357%0.57269%0.693SS**  trans-57.8117.7-178.2-154.6-17.6000110.2A89 D93 L94A89-D91 PolarHBondContact O-N 2.82Å; D91-D93 PolarHBondContact O-N 3.48Å; D91-D93 VanDerWaalsContact O-N 3.11Å; D91-L94 WeakPolarHBondContact O-CB 3.36Å; D91-L94 PolarHBondContact O-N 3.21Å
92A33.2Very low32Very low61 Ų61130.2 Ų130.250%0.50470%0.696SS.*Hα-helixtrans-61.3-21.5-178.100000111.8V90 I95 N96V90-A92 PolarHBondContact O-N 3.04Å; A92-I95 PolarHBondContact O-N 3.08Å; A92-N96 PolarHBondContact O-N 3.26Å; A92-N96 PolarHBondContact O-ND2 3.13Å; A92-N96 VanDerWaalsContact O-ND2 3.16Å
93D34.8Very low32Very low107 Ų107126.5 Ų126.557%0.57269%0.691SS**Hα-helixtrans-70.1-30.4177.2-68.4-15.9000112.1D91 I95 N96 D97D91-D93 PolarHBondContact O-N 3.48Å; D91-D93 VanDerWaalsContact O-N 3.11Å; D93-I95 VanDerWaalsContact C-N 3.29Å; D93-I95 PolarHBondContact O-N 3.01Å; D93-N96 PolarHBondContact O-N 2.75Å; D93-D97 PolarHBondContact O-N 3.04Å; D93-D97 VanDerWaalsContact O-N 3.1Å
94L34.5Very low32Very low119 Ų119122.5 Ų122.562%0.62369%0.688SS**Hα-helixtrans-69.5-28.9177.4-156.281.3000112.4D91D91-L94 WeakPolarHBondContact O-CB 3.36Å; D91-L94 PolarHBondContact O-N 3.21Å
95I34Very low32.1Very low87 Ų87123.7 Ų123.745%0.44669%0.694SS.*Hα-helixtrans-77.5-37.2175.9-58.6176.6000109.4A92 D93 I98 F99A92-I95 PolarHBondContact O-N 3.08Å; D93-I95 VanDerWaalsContact C-N 3.29Å; D93-I95 PolarHBondContact O-N 3.01Å; I95-I98 PolarHBondContact O-N 3.1Å; I95-F99 HydrophobicContact CG2-CD2 4.16Å; I95-F99 HydrophobicContact CG2-CE2 3.96Å; I95-F99 WeakPolarHBondContact O-CD2 3.4Å
96N35Very low32Very low89 Ų89120.3 Ų120.348%0.47668%0.684SS.*Hα-helixtrans-67.8-34.2178.8-69.8-35.9000112.7A92 D93 I98 F99 D100A92-N96 PolarHBondContact O-N 3.26Å; A92-N96 PolarHBondContact O-ND2 3.13Å; A92-N96 VanDerWaalsContact O-ND2 3.16Å; D93-N96 PolarHBondContact O-N 2.75Å; N96-I98 PolarHBondContact O-N 3.11Å; N96-F99 CarbonylContact O-C 3.4Å; N96-F99 PolarHBondContact O-N 3.01Å; N96-D100 WeakPolarHBondContact O-CB 3.45Å; N96-D100 PolarHBondContact O-N 3.45Å
97D34.6Very low32Very low122 Ų122120.6 Ų120.665%0.65269%0.691SS**Hα-helixtrans-64.7-22.7175.2-91.3-12.1000113.8D93 F99D93-D97 PolarHBondContact O-N 3.04Å; D93-D97 VanDerWaalsContact O-N 3.1Å; D97-F99 VanDerWaalsContact C-N 3.31Å
98I34.7Very low32Very low129 Ų129117.6 Ų117.666%0.66269%0.686SS**Hα-helixtrans-76.8-24.4174.4-58.4168.3000110.9I95 N96I95-I98 PolarHBondContact O-N 3.1Å; N96-I98 PolarHBondContact O-N 3.11Å
99F33.4Very low31.8Very low152 Ų152121.4 Ų121.467%0.66769%0.692SS**Hα-helixtrans-111.50.5-175.9-65.1-71.1000113.8I95 N96 D97 D101I95-F99 HydrophobicContact CG2-CD2 4.16Å; I95-F99 HydrophobicContact CG2-CE2 3.96Å; I95-F99 WeakPolarHBondContact O-CD2 3.4Å; N96-F99 CarbonylContact O-C 3.4Å; N96-F99 PolarHBondContact O-N 3.01Å; D97-F99 VanDerWaalsContact C-N 3.31Å; F99-D101 PolarHBondContact O-N 3.25Å; F99-D101 VanDerWaalsContact O-N 3.11Å
100D30.2Very low31.7Very low111 Ų111123 Ų12359%0.59469%0.692SS**  trans-75107.1-177.3-125.5-14.1000110.4N96 S102N96-D100 WeakPolarHBondContact O-CB 3.45Å; N96-D100 PolarHBondContact O-N 3.45Å; D100-S102 PolarHBondContact O-N 3.36Å; D100-S102 PolarHBondContact O-OG 3Å
101D31.9Very low31.4Very low163 Ų163122.4 Ų122.487%0.87269%0.693SS**  trans-65.162.6177-90.4-35000110.7F99 S103F99-D101 PolarHBondContact O-N 3.25Å; F99-D101 VanDerWaalsContact O-N 3.11Å; D101-S103 PolarHBondContact O-N 3.18Å
102S35.7Very low31.6Very low106 Ų106123.1 Ų123.174%0.74171%0.706SS**  trans-82.989.6172.337.20000109.6D100 S104D100-S102 PolarHBondContact O-N 3.36Å; D100-S102 PolarHBondContact O-OG 3Å; S102-S104 PolarHBondContact O-N 3.33Å
103S30.9Very low31.3Very low117 Ų117127.7 Ų127.782%0.81872%0.717SS**  trans-39.7111170.2600000114D101D101-S103 PolarHBondContact O-N 3.18Å
104S33.4Very low31Very low112 Ų112130.2 Ų130.278%0.78373%0.725SS**  trans-161.6128.2136.952.20000109.4S102 G106S102-S104 PolarHBondContact O-N 3.33Å; S104-G106 PolarHBondContact O-N 3.27Å; S104-G106 VanDerWaalsContact O-N 3.11Å
105Q30Very low30.7Very low209 Ų209130.3 Ų130.398%0.97773%0.731SS**  trans-61.5108.9172.8-73.3178.2-38.600108.9
106G29.3Very low30.4Very low55 Ų55134.9 Ų134.957%0.56775%0.748SS**  trans-136.8131.316700000108.4S104 V108S104-G106 PolarHBondContact O-N 3.27Å; S104-G106 VanDerWaalsContact O-N 3.11Å; G106-V108 PolarHBondContact O-N 2.91Å
107D27.3Very low29.9Very low173 Ų173136 Ų13693%0.92575%0.752SS**  trans-54.195175.9-81.4-43.7000111K109D107-K109 PolarHBondContact O-N 3.1Å
108V27.6Very low29.5Very low130 Ų130138.4 Ų138.479%0.78876%0.764SS**  trans-83.6101.5172.5-179.10000108.1G106 T110G106-V108 PolarHBondContact O-N 2.91Å; V108-T110 PolarHBondContact O-N 2.89Å
109K25.1Very low29.2Very low200 Ų200139.4 Ų139.487%0.8776%0.761SS**  trans-60.2110.3161.8-78.5176.9174.2176.80108.3D107 S111D107-K109 PolarHBondContact O-N 3.1Å; K109-S111 PolarHBondContact O-N 2.91Å
110T27.2Very low28.8Very low134 Ų134139 Ų13982%0.82277%0.765SS**  trans-70.3113.9168.944.50000109.1V108V108-T110 PolarHBondContact O-N 2.89Å
111S28.4Very low28.8Very low88 Ų88138.2 Ų138.262%0.61576%0.761SS**  trans-68.6130.3165.850.90000109.3K109 E113K109-S111 PolarHBondContact O-N 2.91Å; S111-E113 PolarHBondContact O-N 3.42Å; S111-E113 VanDerWaalsContact O-N 3.09Å
112S31.8Very low28.6Very low122 Ų122138 Ų13885%0.85375%0.754SS**  trans-80.272.7170.258.60000108.8E114S112-E114 PolarHBondContact O-N 2.91Å
113E27.7Very low28.2Very low156 Ų156140.6 Ų140.673%0.72976%0.755SS**  trans-80.7107.7169.3-77.9178.717200108.4S111 T115S111-E113 PolarHBondContact O-N 3.42Å; S111-E113 VanDerWaalsContact O-N 3.09Å; E113-T115 PolarHBondContact O-N 3.25Å; E113-T115 PolarHBondContact O-OG1 3.5Å
114E29.4Very low28.1Very low160 Ų160141.1 Ų141.175%0.74875%0.748SS**  trans-58.2101.1169.2-69.1-176.9163.600108.6S112 K116S112-E114 PolarHBondContact O-N 2.91Å; E114-K116 PolarHBondContact O-N 2.07Å
115T26.5Very low27.9Very low122 Ų122139.7 Ų139.775%0.74874%0.738SS**  trans-80.9101.1173.9-43.60000108E113 I117E113-T115 PolarHBondContact O-N 3.25Å; E113-T115 PolarHBondContact O-OG1 3.5Å; T115-I117 HydrophobicContact CG2-CG1 4.26Å; T115-I117 PolarHBondContact O-N 3.48Å
116K27.5Very low28Very low183 Ų183133.9 Ų133.980%0.79671%0.71SS**  trans-78.2114.8170.3-66.7-176.1-179.1-175.10108.4E114E114-K116 PolarHBondContact O-N 2.07Å
117I26.3Very low28Very low112 Ų112133.5 Ų133.557%0.57471%0.706SS**  trans-103.6110.9171.7-51.1174.7000106.9T115 Y119T115-I117 HydrophobicContact CG2-CG1 4.26Å; T115-I117 PolarHBondContact O-N 3.48Å; I117-Y119 HydrophobicContact CB-CD2 4.12Å; I117-Y119 HydrophobicContact CB-CE2 3.87Å; I117-Y119 HydrophobicContact CD1-CE2 4.4Å; I117-Y119 HydrophobicContact CG2-CD2 3.55Å; I117-Y119 HydrophobicContact CG2-CE2 3.25Å; I117-Y119 HydrophobicContact CG2-CG 4.4Å; I117-Y119 PolarHBondContact O-N 3.43Å
118L26.2Very low28.1Very low173 Ų173129.5 Ų129.591%0.90668%0.68SS**  trans-76.5113.4167.2-77158.2000107.4
119Y28.5Very low28.3Very low150 Ų150130.2 Ų130.259%0.58868%0.68SS**  trans-99.6119.5171.4-85.9-84.4000108.9I117 I121 F126I117-Y119 HydrophobicContact CB-CD2 4.12Å; I117-Y119 HydrophobicContact CB-CE2 3.87Å; I117-Y119 HydrophobicContact CD1-CE2 4.4Å; I117-Y119 HydrophobicContact CG2-CD2 3.55Å; I117-Y119 HydrophobicContact CG2-CE2 3.25Å; I117-Y119 HydrophobicContact CG2-CG 4.4Å; I117-Y119 PolarHBondContact O-N 3.43Å; Y119-I121 PolarHBondContact O-N 3.47Å; Y119-F126 HydrophobicContact CD1-CE1 4.05Å; Y119-F126 AromaticContact CD1-CZ 3.62Å; Y119-F126 HydrophobicContact CD1-CZ 3.62Å; Y119-F126 AromaticContact CE1-CE1 3.97Å; Y119-F126 HydrophobicContact CE1-CE1 3.97Å; Y119-F126 HydrophobicContact CE1-CZ 4Å; Y119-F126 HydrophobicContact CG-CZ 4.18Å
120N24.9Very low28.6Very low142 Ų142122.2 Ų122.276%0.75965%0.649SS**  trans-71.2112.7161.3-83.4-4000107.2E122N120-E122 PolarHBondContact O-N 3.18Å
121I29.2Very low28.8Very low96 Ų96120.3 Ų120.349%0.49265%0.646SS.*  trans-79.971.9172.7-54.7175.1000107Y119 E123Y119-I121 PolarHBondContact O-N 3.47Å; I121-E123 PolarHBondContact O-N 2.7Å
122E27Very low29Very low157 Ų157117.9 Ų117.973%0.73463%0.629SS**  trans-84.7100.7161.6-76.4-174.4169.500107.4N120 D124N120-E122 PolarHBondContact O-N 3.18Å; E122-D124 PolarHBondContact O-N 3.29Å
123E29Very low29.1Very low161 Ų161122.7 Ų122.775%0.75263%0.634SS**SBendtrans49.60160.9-61-164.9143.400120.8I121 K145I121-E123 PolarHBondContact O-N 2.7Å; E123-K145 IonicContact OE1-NZ 3.08Å; E123-K145 PolarHBondContact OE1-NZ 3.47Å
124D28Very low29.3Very low129 Ų129118.2 Ų118.269%0.6963%0.63SS**  trans-105.9122.8-173.4-79.4-27.9000113.2E122E122-D124 PolarHBondContact O-N 3.29Å
125S30.1Very low29.4Very low81 Ų81114 Ų11457%0.56663%0.629SS**  trans-54.8133.5177.949.20000114.1
126F30.6Very low29.6Very low88 Ų88113.1 Ų113.139%0.38662%0.62SS.*EExtended strand (participates in β ladder)trans-102.2106.1170-74.1-87.4000110.8Y119 W140Y119-F126 HydrophobicContact CD1-CE1 4.05Å; Y119-F126 AromaticContact CD1-CZ 3.62Å; Y119-F126 HydrophobicContact CD1-CZ 3.62Å; Y119-F126 AromaticContact CE1-CE1 3.97Å; Y119-F126 HydrophobicContact CE1-CE1 3.97Å; Y119-F126 HydrophobicContact CE1-CZ 4Å; Y119-F126 HydrophobicContact CG-CZ 4.18Å; F126-W140 CarbonylContact C-O 3.44Å; F126-W140 PolarHBondContact N-O 2.98Å
127G29.9Very low29.9Very low46 Ų46113.4 Ų113.447%0.47462%0.616SS.*EExtended strand (participates in β ladder)trans-84146173.200000112.9
128F30.2Very low30.1Very low90 Ų90109.1 Ų109.140%0.39560%0.595SS.*EExtended strand (participates in β ladder)trans-115.7135.9169.3-66.7-72.8000110.2C130 V138 L203F128-C130 PolarHBondContact O-N 2.95Å; F128-V138 PolarHBondContact N-O 3.31Å; F128-V138 PolarHBondContact O-N 3.25Å; F128-L203 HydrophobicContact CD1-CD2 4.18Å; F128-L203 HydrophobicContact CE1-CD1 3.54Å; F128-L203 HydrophobicContact CE1-CD2 3.19Å; F128-L203 HydrophobicContact CE1-CG 3.97Å; F128-L203 HydrophobicContact CZ-CD1 3.72Å; F128-L203 HydrophobicContact CZ-CD2 3.52Å; F128-L203 HydrophobicContact CZ-CG 4.16Å
129D30.9Very low30.2Very low145 Ų145107.7 Ų107.778%0.77558%0.582SS**EExtended strand (participates in β ladder)trans-72109.6172.9-76.3-32.3000110
130C31.6Very low30.4Very low32 Ų32107.5 Ų107.522%0.21658%0.58CS.*  trans-73.6130.4167.8-179.40000110F128 C132 V138 C159F128-C130 PolarHBondContact O-N 2.95Å; C130-C132 HydrophobicContact CB-CB 4.08Å; C130-C132 WeakPolarHBondContact CB-SG 3.41Å; C130-C132 PolarHBondContact O-N 3.42Å; C130-C132 WeakPolarHBondContact SG-CB 3.44Å; C130-C132 PolarHBondContact SG-N 3.5Å; C130-C132 CovalentContact SG-SG 2.07Å; C130-C132 PolarHBondContact SG-SG 2.92Å; C130-V138 HydrophobicContact CB-CB 4.33Å; C130-V138 HydrophobicContact CB-CG2 3.37Å; C130-C159 PolarHBondContact SG-SG 3.09Å
131A31.2Very low30.5Very low94 Ų94103.8 Ų103.878%0.77757%0.566SS**  trans-75.732.716800000113.1K133A131-K133 PolarHBondContact O-N 3.19Å
132C32.4Very low30.6Very low36 Ų36105 Ų10524%0.24357%0.572CS.*  trans-62.1127.2170.8-64.50000107.4C130 G134 G135 C159C130-C132 HydrophobicContact CB-CB 4.08Å; C130-C132 WeakPolarHBondContact CB-SG 3.41Å; C130-C132 PolarHBondContact O-N 3.42Å; C130-C132 WeakPolarHBondContact SG-CB 3.44Å; C130-C132 PolarHBondContact SG-N 3.5Å; C130-C132 CovalentContact SG-SG 2.07Å; C130-C132 PolarHBondContact SG-SG 2.92Å; C132-G134 VanDerWaalsContact C-N 3.32Å; C132-G134 PolarHBondContact O-N 2.75Å; C132-G135 PolarHBondContact O-N 3.13Å; C132-C159 VanDerWaalsContact SG-SG 3.62Å
133K34.3Very low30.6Very low223 Ų223101.9 Ų101.997%0.9756%0.56SS**THydrogen-bonded Turntrans-57.292.6176-75.1179.7-179.5171.10109.3A131A131-K133 PolarHBondContact O-N 3.19Å
134G32.5Very low30.6Very low62 Ų62103.1 Ų103.164%0.63957%0.566SS**THydrogen-bonded Turntrans154.1-6.6-175.900000117.5C132 D136C132-G134 VanDerWaalsContact C-N 3.32Å; C132-G134 PolarHBondContact O-N 2.75Å; G134-D136 VanDerWaalsContact C-N 3.33Å
135G31.5Very low30.7Very low71 Ų71103.5 Ų103.573%0.73256%0.562SS**  trans74.325.8179.600000113.7C132 R137C132-G135 PolarHBondContact O-N 3.13Å; G135-R137 PolarHBondContact O-N 3.33Å
136D31.1Very low30.4Very low104 Ų104105.3 Ų105.356%0.55657%0.574SS**  trans-78.9118.1175.7-66.2-31.1000109.9G134G134-D136 VanDerWaalsContact C-N 3.33Å
137R32.1Very low30.4Very low189 Ų189105.6 Ų105.671%0.71358%0.579SS**EExtended strand (participates in β ladder)trans-76.1129.9170.1-65.7178.2178.3-175.9-2.8108.3G135 F139G135-R137 PolarHBondContact O-N 3.33Å; R137-F139 HydrophobicContact CB-CD2 4.41Å; R137-F139 HydrophobicContact CB-CE2 3.86Å; R137-F139 HydrophobicContact CB-CZ 4.47Å
138V30.6Very low30.1Very low22 Ų22108.9 Ų108.913%0.13360%0.595CS.*EExtended strand (participates in β ladder)trans-105.6114.5174.4-172.90000108.4F128 C130 W140F128-V138 PolarHBondContact N-O 3.31Å; F128-V138 PolarHBondContact O-N 3.25Å; C130-V138 HydrophobicContact CB-CB 4.33Å; C130-V138 HydrophobicContact CB-CG2 3.37Å; V138-W140 HydrophobicContact CG1-CZ2 4.46Å
139F29.1Very low29.8Very low144 Ų144110.1 Ų110.163%0.63261%0.613SS**EExtended strand (participates in β ladder)trans-91.2125.5173.4-67.4-91.3000108.1R137R137-F139 HydrophobicContact CB-CD2 4.41Å; R137-F139 HydrophobicContact CB-CE2 3.86Å; R137-F139 HydrophobicContact CB-CZ 4.47Å
140W31.7Very low29.7Very low145 Ų145105.7 Ų105.755%0.54960%0.597SS.*EExtended strand (participates in β ladder)trans-116.8133.2165.7-67.890.4000108.1F126 V138F126-W140 CarbonylContact C-O 3.44Å; F126-W140 PolarHBondContact N-O 2.98Å; V138-W140 HydrophobicContact CG1-CZ2 4.46Å
141S28.5Very low29.4Very low65 Ų65109.8 Ų109.846%0.45562%0.623SS.*  trans-109.1114.416968.30000107.7L143S141-L143 PolarHBondContact O-N 2.96Å; S141-L143 WeakPolarHBondContact OG-CD1 3.31Å
142L30.1Very low29.2Very low121 Ų121109.7 Ų109.763%0.63462%0.617SS**  trans-74.781.7161.4-87148.7000106.7E144 I201L142-E144 PolarHBondContact O-N 3.43Å; L142-I201 HydrophobicContact CD1-CD1 4.2Å
143L27.3Very low29Very low91 Ų91113.7 Ų113.748%0.47664%0.64SS.*  trans-84.7110.1172.9-78.2167.7000108.2S141 K145 L147S141-L143 PolarHBondContact O-N 2.96Å; S141-L143 WeakPolarHBondContact OG-CD1 3.31Å; L143-K145 PolarHBondContact O-N 3.26Å; L143-L147 HydrophobicContact CB-CD1 4.09Å; L143-L147 HydrophobicContact CB-CD2 4.47Å; L143-L147 HydrophobicContact CB-CG 4.34Å; L143-L147 HydrophobicContact CD1-CD1 4.22Å; L143-L147 HydrophobicContact CD1-CD2 3.78Å; L143-L147 HydrophobicContact CD1-CG 4.41Å
144E30.2Very low28.7Very low188 Ų188112 Ų11288%0.87963%0.632SS**  trans-71.521.4172.7-137.4177.8-160.900112.9L142L142-E144 PolarHBondContact O-N 3.43Å
145K28Very low28.6Very low137 Ų137114.1 Ų114.160%0.59663%0.626SS**SBendtrans-126.4135.5-178.1-73.4175.3-178.4163.50109.2E123 L143 L147E123-K145 IonicContact OE1-NZ 3.08Å; E123-K145 PolarHBondContact OE1-NZ 3.47Å; L143-K145 PolarHBondContact O-N 3.26Å; K145-L147 PolarHBondContact O-N 3.22Å
146S25.6Very low28.3Very low118 Ų118120.1 Ų120.183%0.82564%0.635SS**  trans-50.998.7179.146.30000111.5S148S146-S148 PolarHBondContact O-N 3.29Å
147L29.4Very low28Very low94 Ų94123.7 Ų123.749%0.49265%0.645SS.*  trans-75.474.8-177.3-77.2169.8000110.7L143 K145 C149 A150L143-L147 HydrophobicContact CB-CD1 4.09Å; L143-L147 HydrophobicContact CB-CD2 4.47Å; L143-L147 HydrophobicContact CB-CG 4.34Å; L143-L147 HydrophobicContact CD1-CD1 4.22Å; L143-L147 HydrophobicContact CD1-CD2 3.78Å; L143-L147 HydrophobicContact CD1-CG 4.41Å; K145-L147 PolarHBondContact O-N 3.22Å; L147-C149 PolarHBondContact O-N 3.45Å; L147-A150 HydrophobicContact CB-CB 3.85Å; L147-A150 HydrophobicContact CD1-CB 3.56Å; L147-A150 HydrophobicContact CD2-CB 3.54Å; L147-A150 HydrophobicContact CG-CB 3.81Å
148S24.6Very low27.7Very low116 Ų116120 Ų12081%0.81164%0.635SS**THydrogen-bonded Turntrans-67.3-8.7162.347.60000112.6S146S146-S148 PolarHBondContact O-N 3.29Å
149C24Very low27.7Very low115 Ų115122.4 Ų122.478%0.77765%0.651SS**THydrogen-bonded Turntrans-149.835.8-174.3-76.30000115L147L147-C149 PolarHBondContact O-N 3.45Å
150A27.7Very low27.6Very low52 Ų52120.8 Ų120.843%0.4365%0.649SS.*  trans-77.2127.817100000111.7L147 S152L147-A150 HydrophobicContact CB-CB 3.85Å; L147-A150 HydrophobicContact CD1-CB 3.56Å; L147-A150 HydrophobicContact CD2-CB 3.54Å; L147-A150 HydrophobicContact CG-CB 3.81Å; A150-S152 PolarHBondContact O-N 3.29Å
151P26.2Very low27.4Very low118 Ų118119.7 Ų119.777%0.76665%0.653SS**  trans-66109.1172.325.3-29.8000109.5V153P151-V153 PolarHBondContact O-N 3.45Å; P151-V153 VanDerWaalsContact O-N 3.08Å
152S25.9Very low27.3Very low93 Ų93125.2 Ų125.265%0.6567%0.672SS**  trans-55.3113.5173.165.20000109.6A150 K154A150-S152 PolarHBondContact O-N 3.29Å; S152-K154 VanDerWaalsContact C-N 3.35Å; S152-K154 PolarHBondContact O-N 3.47Å
153V28.6Very low27.3Very low120 Ų120124.5 Ų124.573%0.72768%0.677SS**  trans-70.497.1168.5179.10000107P151 H155P151-V153 PolarHBondContact O-N 3.45Å; P151-V153 VanDerWaalsContact O-N 3.08Å; V153-H155 PolarHBondContact O-N 3.43Å
154K28.3Very low27.3Very low186 Ų186125.1 Ų125.181%0.80968%0.677SS**  trans-64.7101.3174.2-74.9-176.5176.31790109.1S152 Q156S152-K154 VanDerWaalsContact C-N 3.35Å; S152-K154 PolarHBondContact O-N 3.47Å; K154-Q156 PolarHBondContact O-N 3.16Å
155H29.6Very low27.4Very low108 Ų108126 Ų12650%0.568%0.678SS.*  trans-66122.6165.9-87.5-106.1000109.5V153 K157V153-H155 PolarHBondContact O-N 3.43Å; H155-K157 VanDerWaalsContact C-N 3.27Å
156Q25.2Very low27.4Very low197 Ų197125.5 Ų125.592%0.92168%0.682SS**SBendtrans-82.7-5.5176.5-144.7173.118.300112.5K154K154-Q156 PolarHBondContact O-N 3.16Å
157K26.4Very low27.5Very low179 Ų179126 Ų12678%0.77868%0.675SS**SBendtrans-153138174-69-173.6179.1168.10111.1H155H155-K157 VanDerWaalsContact C-N 3.27Å
158F25.8Very low27.5Very low112 Ų112129.9 Ų129.949%0.49169%0.691SS.*  trans-57130.6176.7-72.6-99.6000112.2P181 D183 T184F158-P181 WeakPolarHBondContact CZ-O 3.49Å; F158-D183 WeakPolarHBondContact CE1-O 3.32Å; F158-T184 HydrophobicContact CD1-CG2 4.5Å; F158-T184 HydrophobicContact CE1-CG2 3.45Å; F158-T184 VanDerWaalsContact CE1-CG2 3.45Å; F158-T184 HydrophobicContact CZ-CG2 3.74Å; F158-T184 WeakPolarHBondContact CZ-OG1 3.16Å
159C29.6Very low27.8Very low71 Ų71129.9 Ų129.948%0.4869%0.686SS.*  trans-110104.5168.6-168.20000108C130 C132 L161C130-C159 PolarHBondContact SG-SG 3.09Å; C132-C159 VanDerWaalsContact SG-SG 3.62Å; C159-L161 PolarHBondContact O-N 3.36Å; C159-L161 VanDerWaalsContact O-N 3.11Å
160L27.1Very low28.3Very low111 Ų111132.2 Ų132.258%0.58169%0.688SS**  trans-65.5110.2175.5-99.6146.4000109.8Q162 L179L160-Q162 PolarHBondContact O-N 3.45Å; L160-L179 HydrophobicContact CD1-CD1 3.28Å; L160-L179 HydrophobicContact CD1-CD2 3.62Å; L160-L179 HydrophobicContact CD1-CG 4.07Å
161L27.7Very low28.6Very low122 Ų122139.1 Ų139.164%0.63971%0.713SS**  trans-63.6112.1154-74.2161.5000106.1C159 S163C159-L161 PolarHBondContact O-N 3.36Å; C159-L161 VanDerWaalsContact O-N 3.11Å; L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 2.96Å
162Q26.9Very low28.8Very low181 Ų181136.5 Ų136.585%0.84671%0.708SS**  trans-68.496.7172.9-77.2-167.8-22.700107.9L160 E164L160-Q162 PolarHBondContact O-N 3.45Å; Q162-E164 PolarHBondContact O-N 2.95Å
163S29.8Very low29.2Very low105 Ų105137.4 Ų137.473%0.73472%0.715SS**  trans-59.3130.616149.90000108L161 K165L161-S163 VanDerWaalsContact C-N 3.32Å; L161-S163 PolarHBondContact O-N 2.96Å; S163-K165 PolarHBondContact O-N 2.96Å
164E27.8Very low29.3Very low105 Ų105141.5 Ų141.549%0.49173%0.725SS.*  trans-54.3100.3-177.6-143.6164.8-158.200108.6Q162 N166 H229Q162-E164 PolarHBondContact O-N 2.95Å; E164-N166 PolarHBondContact O-N 3.07Å; E164-H229 IonicContact OE1-CE1 3.84Å; E164-H229 IonicContact OE1-ND1 3.29Å; E164-H229 PolarHBondContact OE1-ND1 3.18Å
165K30.2Very low29.4Very low207 Ų207136 Ų13690%0.971%0.711SS**  trans-69.793.1166.6-92.4-173.6176.2178.60106.9S163S163-K165 PolarHBondContact O-N 2.96Å
166N28.2Very low29.5Very low126 Ų126138.8 Ų138.867%0.67473%0.729SS**  trans-51.9136.3161.6-77.9-25.3000109.7E164E164-N166 PolarHBondContact O-N 3.07Å
167D29Very low29.9Very low127 Ų127137.1 Ų137.168%0.67972%0.721SS**SBendtrans56.3111.4152-62.9-32.8000119.1
168E29Very low30.1Very low176 Ų176136.7 Ų136.782%0.82273%0.727SS**  trans64.3168.9136.5-59.3-169.8136.800114.7
169T31.5Very low30.5Very low117 Ų117136.8 Ų136.872%0.71873%0.732SS**  trans69.2109.4174.6170000116.9
170M34Very low30.4Very low163 Ų163136 Ų13680%0.80373%0.726SS**  trans113.477.1135.8-55.4-97.2169.600114G172M170-G172 PolarHBondContact O-N 3.09Å; M170-G172 VanDerWaalsContact O-N 3.1Å
171M33.9Very low30.9Very low197 Ų197135.1 Ų135.197%0.9773%0.728SS**  -25.4107.8129.5-65.4-88.4-101.500110.8
172G30.9Very low31.5Very low64 Ų64135.9 Ų135.966%0.6673%0.732SS**  trans158.3112.5170.600000115M170M170-G172 PolarHBondContact O-N 3.09Å; M170-G172 VanDerWaalsContact O-N 3.1Å
173S34.7Very low32Very low112 Ų112131.9 Ų131.978%0.78372%0.717SS**  trans69.299.6152.5-66.60000117.8S175S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 3.14Å
174H30.1Very low32.1Very low205 Ų205131.1 Ų131.195%0.94971%0.708SS**  trans-51.493143.9-74.1-80.7000109.8
175S30.7Very low32.6Very low72 Ų72130 Ų13050%0.50371%0.705SS.*  trans-108.8113.2159.353.30000107.9S173 Q177S173-S175 VanDerWaalsContact C-N 3.28Å; S173-S175 PolarHBondContact O-N 3.14Å; S175-Q177 PolarHBondContact O-N 2.94Å
176D31.4Very low33Very low166 Ų166124.3 Ų124.389%0.88868%0.684SS**  trans-61.265.9162.3-70.5-48.4000109.4L178D176-L178 VanDerWaalsContact C-N 3.35Å; D176-L178 PolarHBondContact O-N 3.08Å
177Q32.5Very low33.4Very low162 Ų162124.9 Ų124.976%0.75769%0.687SS**  trans-74.198.2169-79-176.319.700107S175 L179S175-Q177 PolarHBondContact O-N 2.94Å; Q177-L179 PolarHBondContact O-N 3.1Å; Q177-L179 VanDerWaalsContact O-N 3.1Å
178L32Very low34.1Very low170 Ų170121.8 Ų121.889%0.8968%0.679SS**  trans-45.7111.9163.4-70.4160.4000108.4D176 S180D176-L178 VanDerWaalsContact C-N 3.35Å; D176-L178 PolarHBondContact O-N 3.08Å; L178-S180 PolarHBondContact O-N 2.98Å
179L33.3Very low34.8Very low114 Ų114118 Ų11860%0.59766%0.661SS**  trans-56.1128.4176.9-65.5159.3000109.4L160 Q177L160-L179 HydrophobicContact CD1-CD1 3.28Å; L160-L179 HydrophobicContact CD1-CD2 3.62Å; L160-L179 HydrophobicContact CD1-CG 4.07Å; Q177-L179 PolarHBondContact O-N 3.1Å; Q177-L179 VanDerWaalsContact O-N 3.1Å
180S28.7Very low35.2Very low53 Ų53116.5 Ų116.537%0.37165%0.645SS.*  trans-70.3140.6177.8-166.80000108.7L178 D182 D183L178-S180 PolarHBondContact O-N 2.98Å; S180-D182 PolarHBondContact O-N 2.98Å; S180-D182 PolarHBondContact OG-OD2 3.23Å; S180-D183 PolarHBondContact O-N 3.17Å; S180-D183 VanDerWaalsContact O-N 3.11Å
181P37.4Very low35.5Very low93 Ų93114.6 Ų114.660%0.60463%0.632SS**THydrogen-bonded Turntrans-61.9-2.9170.727.2-34.6000113.8F158 D183 T184F158-P181 WeakPolarHBondContact CZ-O 3.49Å; P181-D183 VanDerWaalsContact C-N 3.32Å; P181-T184 PolarHBondContact O-OG1 3.03Å
182D39Very low36Very low138 Ų138113.1 Ų113.174%0.73862%0.623SS**THydrogen-bonded Turntrans-79.6-7.5171.8-66.1-39.7000113.7S180 T184S180-D182 PolarHBondContact O-N 2.98Å; S180-D182 PolarHBondContact OG-OD2 3.23Å; D182-T184 PolarHBondContact O-N 3.3Å
183D37.6Very low36.5Very low98 Ų98114 Ų11452%0.52461%0.611SS.*  trans-80.934.7177.5-67.9-31.1000112.7F158 S180 P181F158-D183 WeakPolarHBondContact CE1-O 3.32Å; S180-D183 PolarHBondContact O-N 3.17Å; S180-D183 VanDerWaalsContact O-N 3.11Å; P181-D183 VanDerWaalsContact C-N 3.32Å
184T32.8Very low36.9Very low88 Ų88112.4 Ų112.454%0.5459%0.591SS.*  trans-90.4113.8174.3-110000108.2F158 P181 D182 D186F158-T184 HydrophobicContact CD1-CG2 4.5Å; F158-T184 HydrophobicContact CE1-CG2 3.45Å; F158-T184 VanDerWaalsContact CE1-CG2 3.45Å; F158-T184 HydrophobicContact CZ-CG2 3.74Å; F158-T184 WeakPolarHBondContact CZ-OG1 3.16Å; P181-T184 PolarHBondContact O-OG1 3.03Å; D182-T184 PolarHBondContact O-N 3.3Å; T184-D186 PolarHBondContact O-N 3.33Å; T184-D186 VanDerWaalsContact O-N 3.12Å
185I38.2Very low37.3Very low83 Ų83106.6 Ų106.643%0.42657%0.571SS.*  trans-57.8115.9166.4-60175000106.4E189 F190 I193I185-E189 WeakPolarHBondContact CA-OE2 3.49Å; I185-E189 HydrophobicContact CG2-CB 3.5Å; I185-E189 VanDerWaalsContact CG2-CB 3.5Å; I185-F190 HydrophobicContact CG2-CB 4.21Å; I185-I193 HydrophobicContact CD1-CD1 4.08Å; I185-I193 HydrophobicContact CG2-CD1 4Å
186D37.5Very low37.7Very low86 Ų86111 Ų11146%0.4658%0.584SS.*  trans-73.2163.3176.171.122.6000110.4T184 A188 E189 F190T184-D186 PolarHBondContact O-N 3.33Å; T184-D186 VanDerWaalsContact O-N 3.12Å; D186-A188 PolarHBondContact O-N 2.94Å; D186-A188 WeakPolarHBondContact OD1-CA 3.5Å; D186-A188 WeakPolarHBondContact OD1-CB 3.35Å; D186-A188 PolarHBondContact OD1-N 2.91Å; D186-E189 PolarHBondContact O-N 3.13Å; D186-E189 VanDerWaalsContact O-N 3.15Å; D186-E189 WeakPolarHBondContact OD1-CG 3.49Å; D186-E189 PolarHBondContact OD1-N 3.48Å; D186-F190 PolarHBondContact O-N 3.36Å
187D37.8Very low37.9Very low138 Ų138107.5 Ų107.574%0.73857%0.569SS**Hα-helixtrans-59.8-19.9-178.4-74.4-24000112.6K191D187-K191 VanDerWaalsContact O-CG 3.31Å; D187-K191 WeakPolarHBondContact O-CG 3.35Å; D187-K191 PolarHBondContact O-N 3.19Å
188A43.2Very low38.1Very low63 Ų63106.4 Ų106.452%0.52157%0.573SS.*Hα-helixtrans-79.4-44.5176.500000111.2D186 F190 K191 E192D186-A188 PolarHBondContact O-N 2.94Å; D186-A188 WeakPolarHBondContact OD1-CA 3.5Å; D186-A188 WeakPolarHBondContact OD1-CB 3.35Å; D186-A188 PolarHBondContact OD1-N 2.91Å; A188-F190 VanDerWaalsContact C-N 3.28Å; A188-F190 PolarHBondContact O-N 2.91Å; A188-K191 PolarHBondContact O-N 2.87Å; A188-E192 PolarHBondContact O-N 2.6Å
189E42.5Very low38.1Very low95 Ų95101.4 Ų101.444%0.44456%0.563SS.*Hα-helixtrans-63.4-35.5171.7-72.3-175.416700111I185 D186 K191 E192 I193I185-E189 WeakPolarHBondContact CA-OE2 3.49Å; I185-E189 HydrophobicContact CG2-CB 3.5Å; I185-E189 VanDerWaalsContact CG2-CB 3.5Å; D186-E189 PolarHBondContact O-N 3.13Å; D186-E189 VanDerWaalsContact O-N 3.15Å; D186-E189 WeakPolarHBondContact OD1-CG 3.49Å; D186-E189 PolarHBondContact OD1-N 3.48Å; E189-K191 VanDerWaalsContact C-N 3.34Å; E189-K191 PolarHBondContact O-N 2.75Å; E189-E192 PolarHBondContact O-N 3.19Å; E189-I193 WeakPolarHBondContact O-CD1 3.01Å; E189-I193 WeakPolarHBondContact O-CG1 3.45Å; E189-I193 PolarHBondContact O-N 3.46Å
190F40.9Very low38Very low86 Ų86103.5 Ų103.538%0.37757%0.569SS.*Hα-helixtrans-63.5-40.2173.7-169.1-90.5000111.6I185 D186 A188 I193 F194I185-F190 HydrophobicContact CG2-CB 4.21Å; D186-F190 PolarHBondContact O-N 3.36Å; A188-F190 VanDerWaalsContact C-N 3.28Å; A188-F190 PolarHBondContact O-N 2.91Å; F190-I193 PolarHBondContact O-N 3.27Å; F190-F194 AromaticContact CD1-CD2 3.86Å; F190-F194 HydrophobicContact CD1-CD2 3.86Å; F190-F194 AromaticContact CD2-CD2 3.74Å; F190-F194 HydrophobicContact CD2-CD2 3.74Å; F190-F194 AromaticContact CD2-CE2 3.72Å; F190-F194 HydrophobicContact CD2-CE2 3.72Å; F190-F194 HydrophobicContact CE1-CB 4.31Å; F190-F194 AromaticContact CE1-CD2 3.59Å; F190-F194 HydrophobicContact CE1-CD2 3.59Å; F190-F194 HydrophobicContact CE1-CE2 4.21Å; F190-F194 HydrophobicContact CE1-CG 4.14Å; F190-F194 AromaticContact CE2-CD2 3.48Å; F190-F194 HydrophobicContact CE2-CD2 3.48Å; F190-F194 VanDerWaalsContact CE2-CD2 3.48Å; F190-F194 AromaticContact CE2-CE2 3.25Å; F190-F194 HydrophobicContact CE2-CE2 3.25Å; F190-F194 HydrophobicContact CE2-CZ 4.22Å; F190-F194 AromaticContact CG-CD2 3.93Å; F190-F194 HydrophobicContact CG-CD2 3.93Å; F190-F194 HydrophobicContact CG-CE2 4.38Å; F190-F194 AromaticContact CZ-CD2 3.39Å; F190-F194 HydrophobicContact CZ-CD2 3.39Å; F190-F194 AromaticContact CZ-CE2 3.53Å; F190-F194 HydrophobicContact CZ-CE2 3.53Å; F190-F194 HydrophobicContact CZ-CG 4.13Å; F190-F194 HydrophobicContact CZ-CZ 4.34Å; F190-F194 WeakPolarHBondContact O-CB 3.22Å; F190-F194 WeakPolarHBondContact O-CD2 3.23Å; F190-F194 PolarHBondContact O-N 2.85Å
191K40.3Very low38.2Very low123 Ų123105 Ų10554%0.53557%0.572SS.*Hα-helixtrans-72.3-26.2176.3-75.3-178.3175.4-136.90113.8D187 A188 E189 F194 E196D187-K191 VanDerWaalsContact O-CG 3.31Å; D187-K191 WeakPolarHBondContact O-CG 3.35Å; D187-K191 PolarHBondContact O-N 3.19Å; A188-K191 PolarHBondContact O-N 2.87Å; E189-K191 VanDerWaalsContact C-N 3.34Å; E189-K191 PolarHBondContact O-N 2.75Å; K191-F194 CarbonylContact O-C 3.52Å; K191-E196 IonicContact NZ-OE1 3.18Å; K191-E196 PolarHBondContact NZ-OE1 3.29Å; K191-E196 VanDerWaalsContact NZ-OE1 3.08Å
192E44.5Very low37.8Very low167 Ų167104 Ų10478%0.7857%0.565SS**Hα-helixtrans-71.3-36.3168.6-79.9-169.4158.300112.2A188 E189A188-E192 PolarHBondContact O-N 2.6Å; E189-E192 PolarHBondContact O-N 3.19Å
193I41.4Very low37.5Very low81 Ų81101.5 Ų101.542%0.41555%0.551SS.*Hα-helixtrans-77-35.7179.5-64.6161.7000111.8I185 E189 F190 P195I185-I193 HydrophobicContact CD1-CD1 4.08Å; I185-I193 HydrophobicContact CG2-CD1 4Å; E189-I193 WeakPolarHBondContact O-CD1 3.01Å; E189-I193 WeakPolarHBondContact O-CG1 3.45Å; E189-I193 PolarHBondContact O-N 3.46Å; F190-I193 PolarHBondContact O-N 3.27Å; I193-P195 WeakPolarHBondContact O-CD 3.14Å
194F42.5Very low37.1Very low79 Ų79101 Ų10135%0.34655%0.547SS..SBendtrans-116.883.5179.6-61.6-81.8000109.6F190 K191 E196 F232F190-F194 AromaticContact CD1-CD2 3.86Å; F190-F194 HydrophobicContact CD1-CD2 3.86Å; F190-F194 AromaticContact CD2-CD2 3.74Å; F190-F194 HydrophobicContact CD2-CD2 3.74Å; F190-F194 AromaticContact CD2-CE2 3.72Å; F190-F194 HydrophobicContact CD2-CE2 3.72Å; F190-F194 HydrophobicContact CE1-CB 4.31Å; F190-F194 AromaticContact CE1-CD2 3.59Å; F190-F194 HydrophobicContact CE1-CD2 3.59Å; F190-F194 HydrophobicContact CE1-CE2 4.21Å; F190-F194 HydrophobicContact CE1-CG 4.14Å; F190-F194 AromaticContact CE2-CD2 3.48Å; F190-F194 HydrophobicContact CE2-CD2 3.48Å; F190-F194 VanDerWaalsContact CE2-CD2 3.48Å; F190-F194 AromaticContact CE2-CE2 3.25Å; F190-F194 HydrophobicContact CE2-CE2 3.25Å; F190-F194 HydrophobicContact CE2-CZ 4.22Å; F190-F194 AromaticContact CG-CD2 3.93Å; F190-F194 HydrophobicContact CG-CD2 3.93Å; F190-F194 HydrophobicContact CG-CE2 4.38Å; F190-F194 AromaticContact CZ-CD2 3.39Å; F190-F194 HydrophobicContact CZ-CD2 3.39Å; F190-F194 AromaticContact CZ-CE2 3.53Å; F190-F194 HydrophobicContact CZ-CE2 3.53Å; F190-F194 HydrophobicContact CZ-CG 4.13Å; F190-F194 HydrophobicContact CZ-CZ 4.34Å; F190-F194 WeakPolarHBondContact O-CB 3.22Å; F190-F194 WeakPolarHBondContact O-CD2 3.23Å; F190-F194 PolarHBondContact O-N 2.85Å; K191-F194 CarbonylContact O-C 3.52Å; F194-E196 PolarHBondContact O-N 2.99Å; F194-F232 HydrophobicContact CE1-CE1 4.2Å; F194-F232 HydrophobicContact CE1-CZ 4.08Å
195P38.9Very low36.9Very low83 Ų83102.5 Ų102.554%0.53956%0.556SS.*  trans-58.9136.6175.523.9-32000109.5I193 T197I193-P195 WeakPolarHBondContact O-CD 3.14Å; P195-T197 PolarHBondContact O-N 3.26Å
196E40.2Very low36.4Very low165 Ų165103.1 Ų103.177%0.77157%0.567SS**SBendtrans-59.67.2-179.2-69.4176.4171.400113.7K191 F194K191-E196 IonicContact NZ-OE1 3.18Å; K191-E196 PolarHBondContact NZ-OE1 3.29Å; K191-E196 VanDerWaalsContact NZ-OE1 3.08Å; F194-E196 PolarHBondContact O-N 2.99Å
197T34Very low36Very low93 Ų93110.3 Ų110.357%0.57159%0.588SS**SBendtrans-112.1102.3-174.657.60000110.4P195 G199P195-T197 PolarHBondContact O-N 3.26Å; T197-G199 PolarHBondContact O-N 3.48Å; T197-G199 VanDerWaalsContact O-N 3.13Å
198T37.1Very low35.6Very low138 Ų138112.7 Ų112.785%0.84759%0.588SS**  trans30.274.1150.555.30000115.7
199G31.7Very low34.9Very low65 Ų65119.9 Ų119.967%0.6760%0.601SS**  trans-98.2127.117600000112.1T197 I201T197-G199 PolarHBondContact O-N 3.48Å; T197-G199 VanDerWaalsContact O-N 3.13Å; G199-I201 PolarHBondContact O-N 3.38Å
200E31.3Very low34.2Very low159 Ų159120.5 Ų120.574%0.74362%0.616SS**  trans-72.4122.5166.3-73.1-175.1167.900109.9
201I32.8Very low33.6Very low83 Ų83123.8 Ų123.843%0.42663%0.632SS.*EExtended strand (participates in β ladder)trans-95.1114.1172.6-57.7174.3000108.4L142 G199 L203L142-I201 HydrophobicContact CD1-CD1 4.2Å; G199-I201 PolarHBondContact O-N 3.38Å; I201-L203 HydrophobicContact CG2-CD2 4.32Å; I201-L203 HydrophobicContact CG2-CG 4.34Å
202T30.1Very low32.9Very low73 Ų73122.5 Ų122.545%0.44864%0.639SS.*EExtended strand (participates in β ladder)trans-89.7116172-56.40000110.2I204T202-I204 HydrophobicContact CG2-CG1 4.34Å
203L31.7Very low32Very low86 Ų86118 Ų11845%0.4562%0.624SS.*EExtended strand (participates in β ladder)trans-95.6106.1175.3-67.8166.3000110.9F128 I201 T205F128-L203 HydrophobicContact CD1-CD2 4.18Å; F128-L203 HydrophobicContact CE1-CD1 3.54Å; F128-L203 HydrophobicContact CE1-CD2 3.19Å; F128-L203 HydrophobicContact CE1-CG 3.97Å; F128-L203 HydrophobicContact CZ-CD1 3.72Å; F128-L203 HydrophobicContact CZ-CD2 3.52Å; F128-L203 HydrophobicContact CZ-CG 4.16Å; I201-L203 HydrophobicContact CG2-CD2 4.32Å; I201-L203 HydrophobicContact CG2-CG 4.34Å; L203-T205 PolarHBondContact O-N 3.04Å
204I29.5Very low31.5Very low86 Ų86122.7 Ų122.744%0.44164%0.644SS.*  trans-86.996.4170.7-56176.1000107.9T202T202-I204 HydrophobicContact CG2-CG1 4.34Å
205T30Very low30.7Very low120 Ų120123.4 Ų123.474%0.73666%0.659SS**  trans-86.7109.5171.1520000109.7L203 R207L203-T205 PolarHBondContact O-N 3.04Å; T205-R207 PolarHBondContact O-N 3.31Å
206C27.6Very low30.4Very low96 Ų96124.4 Ų124.465%0.64966%0.659SS**  trans-75.4104.6168.4-65.40000109.1Y208C206-Y208 PolarHBondContact O-N 2.76Å
207R28Very low30.1Very low238 Ų238119.8 Ų119.890%0.89866%0.656SS**  trans-65.597.9165.2-81.2-173.8175.8176.6-0.3108.8T205 R209T205-R207 PolarHBondContact O-N 3.31Å; R207-R209 PolarHBondContact O-N 3.42Å
208Y29.3Very low30Very low188 Ų188120.4 Ų120.474%0.73766%0.664SS**  trans-66.5104.6161.5-139.2-85.7000106.7C206 S210C206-Y208 PolarHBondContact O-N 2.76Å; Y208-S210 VanDerWaalsContact C-N 3.34Å; Y208-S210 PolarHBondContact O-N 3.39Å
209R28.4Very low29.7Very low214 Ų214123.9 Ų123.981%0.80866%0.662SS**  trans-54.9108.5159.5-85.6-170.9176.1-160.4-1.8105.6R207 H211R207-R209 PolarHBondContact O-N 3.42Å; R209-H211 PolarHBondContact O-N 3.49Å
210S28.1Very low29.6Very low107 Ų107125.2 Ų125.275%0.74866%0.661SS**  trans-66.174.1173.5490000108.9Y208 S212Y208-S210 VanDerWaalsContact C-N 3.34Å; Y208-S210 PolarHBondContact O-N 3.39Å; S210-S212 PolarHBondContact O-N 3.37Å
211H29Very low29.7Very low155 Ų155124.4 Ų124.472%0.71865%0.651SS**  trans-63.496.9144.4-71.4-49.8000104.7R209 P213R209-H211 PolarHBondContact O-N 3.49Å; H211-P213 WeakPolarHBondContact O-CD 3.44Å
212S24.6Very low29.7Very low96 Ų96130.3 Ų130.367%0.67167%0.668SS**  trans-62110154.351.50000105.1S210S210-S212 PolarHBondContact O-N 3.37Å
213P26.6Very low29.8Very low74 Ų74137.2 Ų137.248%0.48169%0.687SS.*  trans-58.6152.7164.2-0.35.1000106.9H211 S215 R221H211-P213 WeakPolarHBondContact O-CD 3.44Å; P213-S215 PolarHBondContact O-N 3.21Å; P213-R221 VanDerWaalsContact CB-NH2 3.31Å; P213-R221 VanDerWaalsContact CG-CZ 3.45Å; P213-R221 VanDerWaalsContact CG-NH2 3.27Å; P213-R221 PolarHBondContact O-NH2 3.11Å
214H29.5Very low29.7Very low179 Ų179143.9 Ų143.983%0.82971%0.707SS**  trans-45.3131.5177.4-62.8-78.9000113.2
215S27.1Very low29.9Very low93 Ų93146.6 Ų146.665%0.6572%0.722SS**SBendtrans-62.2125.8149.769.40000105.4P213P213-S215 PolarHBondContact O-N 3.21Å
216N31.8Very low29.9Very low104 Ų104144.4 Ų144.456%0.55671%0.711SS**  17965.977.9-92.1-44.3000107.3R12R12-N216 PolarHBondContact NH1-O 3Å; R12-N216 PolarHBondContact NH2-O 3.36Å
217G34.8Very low30.1Very low68 Ų68143.8 Ų143.870%0.70171%0.706SS**SBendtrans-16594.3-169.900000112.3
218S30.8Very low30.2Very low106 Ų106137.5 Ų137.574%0.74169%0.693SS**  trans33.1116.5154.4-145.20000118
219R30.5Very low30.3Very low211 Ų211132.9 Ų132.980%0.79668%0.678SS**SBendtrans111.7105.1152.4-61.1165178.1-163.7-2.4113.8
220S30.4Very low30.5Very low93 Ų93126.1 Ų126.165%0.6566%0.657SS**  trans45.880.3141.8-168.20000114.6R222S220-R222 PolarHBondContact O-N 2.76Å; S220-R222 WeakPolarHBondContact OG-CG 3.48Å
221R33.6Very low30.6Very low143 Ų143128.6 Ų128.654%0.5465%0.65SS.*  trans-72.786.9152.6-76.5-167.4-173.8162.315.5107.4P213 Y223P213-R221 VanDerWaalsContact CB-NH2 3.31Å; P213-R221 VanDerWaalsContact CG-CZ 3.45Å; P213-R221 VanDerWaalsContact CG-NH2 3.27Å; P213-R221 PolarHBondContact O-NH2 3.11Å; R221-Y223 PolarHBondContact O-N 3.36Å
222R32.2Very low30.7Very low206 Ų206127 Ų12778%0.77764%0.641SS**  trans-55111.6159.2-63.1-175.9-172.1177.80.5105.7S220 R224S220-R222 PolarHBondContact O-N 2.76Å; S220-R222 WeakPolarHBondContact OG-CG 3.48Å; R222-R224 VanDerWaalsContact C-N 3.33Å; R222-R224 PolarHBondContact O-N 3.11Å
223Y32.2Very low30.9Very low219 Ų219130.3 Ų130.386%0.85964%0.644SS**  trans-55.2105.4161-65.7-90.5000105.5R221 N225R221-Y223 PolarHBondContact O-N 3.36Å; Y223-N225 PolarHBondContact O-N 2.85Å
224R29.5Very low31Very low226 Ų226131.9 Ų131.985%0.85366%0.656SS**  trans-82.3113.5170.9-77.8-171.5175.4-169.3-1.5105.3R222 C226R222-R224 VanDerWaalsContact C-N 3.33Å; R222-R224 PolarHBondContact O-N 3.11Å; R224-C226 PolarHBondContact O-N 3.1Å
225N33.9Very low31.2Very low142 Ų142128.1 Ų128.176%0.75965%0.651SS**PPolyproline II helixtrans-49.7122.8173.6-59.4-18.3000108.9Y223Y223-N225 PolarHBondContact O-N 2.85Å
226C29.2Very low31.6Very low75 Ų75128.1 Ų128.151%0.50765%0.65SS.*PPolyproline II helixtrans-84.1119.3160.4-88.70000106.8R224 V228R224-C226 PolarHBondContact O-N 3.1Å; C226-V228 PolarHBondContact O-N 3.16Å
227P32.4Very low31.9Very low83 Ų83127.8 Ų127.854%0.53966%0.656SS.*PPolyproline II helixtrans-68.3128.9170.527.6-30.4000108.9
228V30.5Very low32.1Very low106 Ų106131.2 Ų131.264%0.64266%0.659SS**  trans-84.6114.7164.1177.10000105.8C226 I230C226-V228 PolarHBondContact O-N 3.16Å; V228-I230 HydrophobicContact CG1-CG1 4.43Å
229H30.9Very low32.7Very low90 Ų90131 Ų13142%0.41766%0.657SS.*  trans-91119.1172.1-77.2-97.3000108.6E164E164-H229 IonicContact OE1-CE1 3.84Å; E164-H229 IonicContact OE1-ND1 3.29Å; E164-H229 PolarHBondContact OE1-ND1 3.18Å
230I32.6Very low33.5Very low72 Ų72128.5 Ų128.537%0.36966%0.659SS.*EExtended strand (participates in β ladder)trans-95.8116.9167.7-58.8171000105.7V228 F232V228-I230 HydrophobicContact CG1-CG1 4.43Å; I230-F232 HydrophobicContact CG2-CD2 4.4Å; I230-F232 HydrophobicContact CG2-CE1 4.24Å; I230-F232 HydrophobicContact CG2-CE2 3.81Å; I230-F232 HydrophobicContact CG2-CZ 3.72Å
231R29.6Very low34Very low160 Ų160136.8 Ų136.860%0.60469%0.688SS**EExtended strand (participates in β ladder)trans-105.1125.1171.5-80-174.5173.3170.2-2.2109
232F31.2Very low34Very low120 Ų120136.5 Ų136.553%0.52670%0.695SS.*EExtended strand (participates in β ladder)trans-90.2124.7169.2-60-84.2000108.4F194 I230F194-F232 HydrophobicContact CE1-CE1 4.2Å; F194-F232 HydrophobicContact CE1-CZ 4.08Å; I230-F232 HydrophobicContact CG2-CD2 4.4Å; I230-F232 HydrophobicContact CG2-CE1 4.24Å; I230-F232 HydrophobicContact CG2-CE2 3.81Å; I230-F232 HydrophobicContact CG2-CZ 3.72Å
233K29.7Very low34.1Very low166 Ų166132.8 Ų132.872%0.72269%0.691SS**  trans-97.5104.8162.9-89.1-177175.9175.50107S235K233-S235 PolarHBondContact O-N 3.23Å
234S29.2Very low34.2Very low107 Ų107128 Ų12875%0.74868%0.682SS**  trans-68.1112.2163.4450000108.2S236S234-S236 VanDerWaalsContact C-N 3.26Å; S234-S236 PolarHBondContact O-N 3.29Å
235S33Very low34.5Very low101 Ų101122.2 Ų122.271%0.70667%0.672SS**  trans-70.388.1161.954.20000107.9K233 S237K233-S235 PolarHBondContact O-N 3.23Å; S235-S237 VanDerWaalsContact C-N 3.33Å; S235-S237 PolarHBondContact O-N 3.05Å; S235-S237 VanDerWaalsContact O-N 3.08Å
236S35.2Very low34.5Very low92 Ų92121 Ų12164%0.64367%0.666SS**  trans-72.995.4162.855.30000107.3S234 D238S234-S236 VanDerWaalsContact C-N 3.26Å; S234-S236 PolarHBondContact O-N 3.29Å; S236-D238 PolarHBondContact O-N 3.11Å
237S38.7Very low34.8Very low98 Ų98124.1 Ų124.169%0.68568%0.677SS**  trans-71.987.5161.2-67.30000107.5S235 S239S235-S237 VanDerWaalsContact C-N 3.33Å; S235-S237 PolarHBondContact O-N 3.05Å; S235-S237 VanDerWaalsContact O-N 3.08Å; S237-S239 VanDerWaalsContact C-N 3.31Å; S237-S239 PolarHBondContact O-N 3.19Å; S237-S239 PolarHBondContact O-OG 3.06Å
238D38.9Very low35Very low140 Ų140127 Ų12775%0.74969%0.687SS**  trans-59.999.3163-82-25.8000107.5S236S236-D238 PolarHBondContact O-N 3.11Å
239S43.4Very low35.4Very low102 Ų102128.6 Ų128.671%0.71369%0.69SS**  trans-112.172.9171.2-40.60000106S237S237-S239 VanDerWaalsContact C-N 3.31Å; S237-S239 PolarHBondContact O-N 3.19Å; S237-S239 PolarHBondContact O-OG 3.06Å
240D46.5Very low35.7Very low157 Ų157131.8 Ų131.884%0.8471%0.713SS**  trans-79.8117.2170.2-81.7-30.7000108.9
241E40.6Very low36Very low267 Ų267137.3 Ų137.3100%1.24874%0.744SS**  trans-69.90154.8-76.7-172.9114.900111.7

Retrieved 241 of 241 residues in 134.9 ms (Link to these results)