A0A077YWX3_TRITR Loading...

Homeobox protein Hox A7

AlphaFold DB , UniProt , Accession A0A077YWX3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low36.6Very low238 Ų238121.7 Ų121.7100%1.17271%0.705SS**  053.60-68.2-179.3173.100110.9
2S43.6Very low36.3Very low100 Ų100116.9 Ų116.970%0.69969%0.691SS**  trans-136.7-2.9-171.535.10000114.7F4S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 3.39Å
3T44.9Very low36Very low114 Ų114113.5 Ų113.570%0.69968%0.683SS**THydrogen-bonded Turntrans-76.6-15.7177.142.90000113.9
4F38.6Very low35.8Very low178 Ų178110.7 Ų110.778%0.78168%0.679SS**THydrogen-bonded Turntrans-80.8-19.2-176.2-75.8-79.5000115S2S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 3.39Å
5Y36.1Very low35.5Very low198 Ų198107.7 Ų107.778%0.77667%0.67SS**Hα-helixtrans-83.2-19.7-176.8-85.2-78.3000114.7
6Q33.5Very low35.2Very low165 Ų165104.9 Ų104.977%0.77166%0.661SS**Hα-helixtrans-73.5-27.8177.9-105.8171.8-14.300113A8Q6-A8 VanDerWaalsContact C-N 3.35Å; Q6-A8 PolarHBondContact O-N 3.07Å
7A34Very low35.2Very low71 Ų71103.4 Ų103.459%0.58766%0.66SS**Hα-helixtrans-69.1-31.9178.600000112.7
8A34.9Very low35Very low65 Ų65102.2 Ų102.254%0.53766%0.661SS.*Hα-helixtrans-71.2-34.1-179.500000112.8Q6 A11 A12Q6-A8 VanDerWaalsContact C-N 3.35Å; Q6-A8 PolarHBondContact O-N 3.07Å; A8-A11 PolarHBondContact O-N 3.1Å; A8-A12 PolarHBondContact O-N 3.07Å
9A34.2Very low34.7Very low70 Ų70101.4 Ų101.458%0.57966%0.658SS**Hα-helixtrans-71.5-33.5-179.600000112.7
10A33.5Very low34.3Very low71 Ų71103.5 Ų103.559%0.58766%0.658SS**Hα-helixtrans-70.7-32.1177.300000112.6
11A32.3Very low34.2Very low69 Ų69104.8 Ų104.857%0.5766%0.66SS**Hα-helixtrans-70.9-31.5177.700000113A8 A15A8-A11 PolarHBondContact O-N 3.1Å; A11-A15 PolarHBondContact O-N 2.79Å
12A32.7Very low33.9Very low64 Ų6498.7 Ų98.753%0.52964%0.641SS.*Hα-helixtrans-72.1-31.9179.900000113.2A8 A15 A16A8-A12 PolarHBondContact O-N 3.07Å; A12-A15 PolarHBondContact O-N 3.1Å; A12-A16 PolarHBondContact O-N 2.97Å
13A33.2Very low33.3Very low72 Ų72104 Ų10460%0.59565%0.647SS**Hα-helixtrans-71.1-31.3178.500000112.9
14A33.1Very low32.5Very low75 Ų75107.7 Ų107.762%0.6265%0.654SS**Hα-helixtrans-73.2-30.2175.900000112.7
15A31Very low31.9Very low66 Ų66104.4 Ų104.455%0.54565%0.65SS.*Hα-helixtrans-74.3-29.8178.800000113.3A11 A12 A18A11-A15 PolarHBondContact O-N 2.79Å; A12-A15 PolarHBondContact O-N 3.1Å; A15-A18 PolarHBondContact O-N 3.1Å
16A31.5Very low31.7Very low63 Ų63100.3 Ų100.352%0.52165%0.651SS.*Hα-helixtrans-75.8-24.5-179.300000113.8A12 A18A12-A16 PolarHBondContact O-N 2.97Å; A16-A18 VanDerWaalsContact C-N 3.32Å
17A34.2Very low31.6Very low79 Ų79101 Ų10165%0.65365%0.654SS**Hα-helixtrans-75.9-21.517600000112.8
18A31Very low31.3Very low82 Ų82105.6 Ų105.668%0.67867%0.668SS**Hα-helixtrans-80.5-20.4-179.600000113.6A15 A16A15-A18 PolarHBondContact O-N 3.1Å; A16-A18 VanDerWaalsContact C-N 3.32Å
19S29.3Very low31Very low86 Ų86107 Ų10760%0.60167%0.674SS**THydrogen-bonded Turntrans-92.28.7-172.569.80000115.4
20H28.4Very low30.6Very low143 Ų143108.9 Ų108.966%0.66268%0.683SS**THydrogen-bonded Turntrans-119.313.1-177.7-95.5-105.5000114.9
21N32Very low30.3Very low132 Ų132110.9 Ų110.971%0.70669%0.688SS**SBendtrans-113.742.8-174.5-158.220.9000114.8
22S29.7Very low30Very low110 Ų110114 Ų11477%0.76970%0.699SS**  trans-138.218.2176.654.10000115
23Y31.6Very low29.8Very low211 Ų211118.5 Ų118.583%0.82772%0.715SS**SBendtrans-108.211.4-177.2-129.6-90.7000116.2
24F27.3Very low29.4Very low192 Ų192118 Ų11884%0.84272%0.716SS**SBendtrans-129.4112.4169.5-69.8-74.8000110.6
25P26.4Very low29Very low108 Ų108119.2 Ų119.270%0.70173%0.727SS**  trans-63.1140.5170.925.5-31000109.9E27P25-E27 PolarHBondContact O-N 3.28Å
26S32.4Very low28.8Very low113 Ų113122.6 Ų122.679%0.7974%0.74SS**G310 helixtrans-67.68.6-171.5-47.60000115.7L28S26-L28 PolarHBondContact O-N 3.32Å
27E30.1Very low28.3Very low180 Ų180123.4 Ų123.484%0.84176%0.755SS**G310 helixtrans-88.50.6-167.5-67.5-84.2138.500114.2P25P25-E27 PolarHBondContact O-N 3.28Å
28L27.6Very low27.8Very low166 Ų166123.2 Ų123.287%0.86976%0.76SS**G310 helixtrans-100.36.4174.1-74.7166.3000114.1S26 S30S26-L28 PolarHBondContact O-N 3.32Å; L28-S30 PolarHBondContact O-N 3.26Å
29S29.6Very low27.4Very low96 Ų96123.6 Ų123.667%0.67177%0.772SS**  trans-80.966.8164.6-161.60000109.9T31S29-T31 PolarHBondContact O-N 2.89Å; S29-T31 PolarHBondContact OG-OG1 3.1Å
30S25Very low27.2Very low109 Ų109122.5 Ų122.576%0.76278%0.775SS**  trans-7464.4164.765.60000109.1L28 V32L28-S30 PolarHBondContact O-N 3.26Å; S30-V32 PolarHBondContact O-N 3.14Å
31T27.6Very low27.1Very low112 Ų112122.9 Ų122.969%0.68779%0.787SS**  trans-88.895.2167.8-43.50000106.8S29 N33S29-T31 PolarHBondContact O-N 2.89Å; S29-T31 PolarHBondContact OG-OG1 3.1Å; T31-N33 PolarHBondContact O-N 3.1Å
32V26.7Very low26.9Very low135 Ų135123.6 Ų123.682%0.81880%0.796SS**  trans-7.494.8159.8-175.30000112.1S30 G34S30-V32 PolarHBondContact O-N 3.14Å; V32-G34 PolarHBondContact O-N 3.04Å
33N27.3Very low26.7Very low159 Ų159123.1 Ų123.185%0.8579%0.793SS**  trans-69.898.7173.7-146.7-5.2000106.4T31 A35T31-N33 PolarHBondContact O-N 3.1Å; N33-A35 PolarHBondContact O-N 3.31Å
34G25.1Very low26.5Very low60 Ų60118.1 Ų118.162%0.61979%0.789SS**  trans-56.9102.9170.800000108.4V32 T36V32-G34 PolarHBondContact O-N 3.04Å; G34-T36 PolarHBondContact O-N 3.25Å
35A24.3Very low26.4Very low102 Ų102117.3 Ų117.384%0.84379%0.787SS**  trans-64.195.8168.600000108.9N33N33-A35 PolarHBondContact O-N 3.31Å
36T27Very low26.4Very low136 Ų136117.4 Ų117.483%0.83478%0.782SS**  trans-134.994156.4-48.20000107.7G34G34-T36 PolarHBondContact O-N 3.25Å
37G22.6Very low26.1Very low81 Ų81118.4 Ų118.484%0.83577%0.774SS**  trans-60.8143.817200000111.7
38G23.5Very low25.8Very low74 Ų74119.7 Ų119.776%0.76377%0.773SS**  trans-162.977.5172.700000108G40G38-G40 PolarHBondContact O-N 3.16Å
39G22.3Very low25.8Very low90 Ų90119.9 Ų119.993%0.92877%0.769SS**  trans-58.2125.6171.800000110.2
40G24.4Very low25.6Very low64 Ų64123.7 Ų123.766%0.6678%0.776SS**  trans-14379.717500000108.5G38 V42G38-G40 PolarHBondContact O-N 3.16Å; G40-V42 PolarHBondContact O-N 3.05Å
41V26.6Very low25.6Very low150 Ų150122.1 Ų122.191%0.90978%0.777SS**  trans-49.4115.8163.4-880000109.5
42V27.4Very low25.7Very low148 Ų148120.3 Ų120.390%0.89777%0.773SS**  trans-107.298.7159.2-151.70000107.1G40G40-V42 PolarHBondContact O-N 3.05Å
43S25.6Very low25.7Very low100 Ų100122.5 Ų122.570%0.69977%0.774SS**  trans-55.6127.4176.8-177.50000113
44S28Very low25.5Very low106 Ų106121.9 Ų121.974%0.74177%0.765SS**  12.9110.6124.4-80.40000116.7
45Q24.9Very low25.4Very low174 Ų174127.3 Ų127.381%0.81377%0.774SS**  trans178.5123.9153-100.7174.9-16.700103.5
46D25.7Very low25.3Very low111 Ų111130 Ų13059%0.59477%0.769SS**  cis-166.2143.428.2-101.8-50.4000109.6
47Q26.5Very low25.2Very low133 Ų133129 Ų12962%0.62177%0.768SS**  trans7397.5132.1-62.416517.200121H49Q47-H49 PolarHBondContact O-N 3.16Å; Q47-H49 PolarHBondContact O-ND1 3.13Å; Q47-H49 VanDerWaalsContact O-ND1 3.12Å
48Y25Very low25.3Very low207 Ų207131 Ų13181%0.81276%0.763SS**  17.689.2122.3-69.5-88.1000115.9
49H26.7Very low25.2Very low171 Ų171132 Ų13279%0.79277%0.765SS**  trans-125.197.6155.2-76.979.6000108Q47 G51Q47-H49 PolarHBondContact O-N 3.16Å; Q47-H49 PolarHBondContact O-ND1 3.13Å; Q47-H49 VanDerWaalsContact O-ND1 3.12Å; H49-G51 PolarHBondContact O-N 3.02Å
50H25.9Very low25.4Very low176 Ų176132 Ų13282%0.81575%0.751SS**  trans-59130.7171.1-74.1-68.1000110.5
51G24.9Very low25.4Very low76 Ų76134.2 Ų134.278%0.78476%0.756SS**SBendtrans76.571.614600000117H49H49-G51 PolarHBondContact O-N 3.02Å
52A29.5Very low25.3Very low73 Ų73133.8 Ų133.860%0.60375%0.747SS**  trans-164.3116.2136.800000108H54A52-H54 PolarHBondContact O-N 3.37Å
53H26.3Very low25.1Very low181 Ų181131.8 Ų131.884%0.83874%0.737SS**  trans-62.380.1177.7-66.3-97000110.8
54H23.9Very low25.1Very low146 Ų146134.9 Ų134.968%0.67675%0.746SS**  trans-93.3103.1164.3-77.5-73.9000107.8A52 H56A52-H54 PolarHBondContact O-N 3.37Å; H54-H56 PolarHBondContact O-N 3.42Å
55H23.5Very low24.8Very low174 Ų174135.9 Ų135.981%0.80675%0.747SS**  trans-60.884.3167.8-72.4-105000108.7S57H55-S57 PolarHBondContact O-N 3.15Å; H55-S57 VanDerWaalsContact O-N 3.13Å
56H21.2Very low24.7Very low158 Ų158131.4 Ų131.473%0.73174%0.74SS**  trans-74.798.3162.6-80.5-83.5000107H54 V58H54-H56 PolarHBondContact O-N 3.42Å; H56-V58 HydrophobicContact CB-CG2 4.45Å; H56-V58 PolarHBondContact O-N 3.42Å
57S24.5Very low24.7Very low117 Ų117132.6 Ų132.682%0.81875%0.751SS**  trans-61.489.7159.9-62.70000107.6H55 A59H55-S57 PolarHBondContact O-N 3.15Å; H55-S57 VanDerWaalsContact O-N 3.13Å; S57-A59 PolarHBondContact O-N 2.93Å
58V24.3Very low24.5Very low121 Ų121132.9 Ų132.973%0.73376%0.762SS**  trans-7097172.9179.80000106.8H56 S60H56-V58 HydrophobicContact CB-CG2 4.45Å; H56-V58 PolarHBondContact O-N 3.42Å; V58-S60 PolarHBondContact O-N 3.08Å
59A22.9Very low24.4Very low95 Ų95125.4 Ų125.479%0.78575%0.748SS**  trans-67.187.8163.500000107.5S57 S61S57-A59 PolarHBondContact O-N 2.93Å; A59-S61 PolarHBondContact O-N 3.43Å
60S25Very low24.3Very low91 Ų91126.8 Ų126.864%0.63675%0.754SS**  trans-67.995.5173.858.20000108.7V58 I62V58-S60 PolarHBondContact O-N 3.08Å; S60-I62 PolarHBondContact O-N 2.87Å
61S24.7Very low24.2Very low111 Ų111124.7 Ų124.778%0.77675%0.754SS**  trans-66.593.2166.4490000108.7A59 P63A59-S61 PolarHBondContact O-N 3.43Å; S61-P63 VanDerWaalsContact O-CD 3.29Å; S61-P63 WeakPolarHBondContact O-CD 3.41Å
62I25.6Very low24.1Very low141 Ų141125.2 Ų125.272%0.72375%0.752SS**  trans-70.2116.5166.4-58.3175.5000106.2S60 N64S60-I62 PolarHBondContact O-N 2.87Å; I62-N64 PolarHBondContact O-N 3.49Å
63P22.9Very low23.9Very low105 Ų105126.8 Ų126.868%0.68276%0.757SS**  trans-66.4119.3179.424.7-30.5000109.7S61 V65S61-P63 VanDerWaalsContact O-CD 3.29Å; S61-P63 WeakPolarHBondContact O-CD 3.41Å; P63-V65 PolarHBondContact O-N 3.36Å
64N25Very low23.9Very low166 Ų166123.3 Ų123.389%0.88875%0.75SS**  trans-55.496.3170.6-90.620.9000110.2I62 A66I62-N64 PolarHBondContact O-N 3.49Å; N64-A66 PolarHBondContact O-N 3.05Å
65V22.3Very low24Very low126 Ų126121.8 Ų121.876%0.76475%0.752SS**  trans-78.4109.8162.1178.60000106.9P63 V67P63-V65 PolarHBondContact O-N 3.36Å; V65-V67 PolarHBondContact O-N 3Å; V65-V67 VanDerWaalsContact O-N 3.07Å
66A22.7Very low24.3Very low81 Ų81117 Ų11767%0.66974%0.742SS**  trans-64105.7178.800000110.2N64 T68N64-A66 PolarHBondContact O-N 3.05Å; A66-T68 VanDerWaalsContact C-N 3.32Å; A66-T68 PolarHBondContact O-N 2.87Å
67V25.1Very low24.5Very low135 Ų135113.2 Ų113.282%0.81874%0.738SS**  trans-72.290.4169.91800000107.9V65 G69V65-V67 PolarHBondContact O-N 3Å; V65-V67 VanDerWaalsContact O-N 3.07Å; V67-G69 PolarHBondContact O-N 3.24Å
68T23.4Very low24.7Very low140 Ų140110.7 Ų110.786%0.85972%0.72SS**  trans-74.671.5165.646.20000109.2A66A66-T68 VanDerWaalsContact C-N 3.32Å; A66-T68 PolarHBondContact O-N 2.87Å
69G22.8Very low25Very low49 Ų49111.9 Ų111.951%0.50572%0.722SS.*  trans-125.972.9169.700000108.1V67 T71V67-G69 PolarHBondContact O-N 3.24Å; G69-T71 PolarHBondContact O-N 3.02Å
70Q23.2Very low25.2Very low200 Ų200116 Ų11694%0.93572%0.723SS**  trans-66.979.2169.6-71.6179.35.400108.4A72Q70-A72 VanDerWaalsContact C-N 3.35Å; Q70-A72 PolarHBondContact O-N 3.42Å
71T23.7Very low25.2Very low132 Ų132116.3 Ų116.381%0.8173%0.725SS**  trans-69.2101.1162.9-51.10000106G69 C73G69-T71 PolarHBondContact O-N 3.02Å; T71-C73 PolarHBondContact O-N 3.04Å
72A24.3Very low25.3Very low88 Ų88117 Ų11773%0.72772%0.724SS**  trans-46.5124.6178.900000110.5Q70Q70-A72 VanDerWaalsContact C-N 3.35Å; Q70-A72 PolarHBondContact O-N 3.42Å
73C25.7Very low25.4Very low105 Ų105115.5 Ų115.571%0.70972%0.723SS**  trans-52.6125.1176.3-60.70000109.6T71 T75T71-C73 PolarHBondContact O-N 3.04Å; C73-T75 PolarHBondContact O-N 3.01Å
74P25.4Very low25.4Very low109 Ų109115.4 Ų115.471%0.70873%0.725SS**  trans-63.6109.4167.524.7-30000107.8A76P74-A76 PolarHBondContact O-N 2.81Å
75T26.4Very low25.5Very low114 Ų114111.8 Ų111.870%0.69972%0.718SS**  trans-52.9134.5170.2-39.50000108.1C73 A77 S78C73-T75 PolarHBondContact O-N 3.01Å; T75-A77 PolarHBondContact O-N 2.95Å; T75-S78 PolarHBondContact O-N 2.86Å; T75-S78 PolarHBondContact O-OG 3.03Å
76A29Very low25.5Very low73 Ų73113.9 Ų113.960%0.60373%0.725SS**G310 helixtrans-52.4-11.9-172.200000115.9P74 S78P74-A76 PolarHBondContact O-N 2.81Å; A76-S78 VanDerWaalsContact C-N 3.31Å
77A26.7Very low25.5Very low79 Ų79113.8 Ų113.865%0.65372%0.724SS**G310 helixtrans-69.9-22.8172.600000114T75 L79T75-A77 PolarHBondContact O-N 2.95Å; A77-L79 VanDerWaalsContact C-N 3.33Å; A77-L79 PolarHBondContact O-N 3.26Å
78S27.3Very low25.5Very low63 Ų63112.2 Ų112.244%0.44173%0.725SS.*G310 helixtrans-78.2-14.9-178.454.90000114.3T75 A76 F80 S81T75-S78 PolarHBondContact O-N 2.86Å; T75-S78 PolarHBondContact O-OG 3.03Å; A76-S78 VanDerWaalsContact C-N 3.31Å; S78-F80 VanDerWaalsContact C-N 3.3Å; S78-F80 PolarHBondContact O-N 2.92Å; S78-S81 PolarHBondContact O-OG 2.98Å
79L31Very low25.6Very low147 Ų147110.2 Ų110.277%0.7772%0.723SS**G310 helixtrans-77.6-10.1174.7-70.4168.8000113.8A77 S81A77-L79 VanDerWaalsContact C-N 3.33Å; A77-L79 PolarHBondContact O-N 3.26Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.35Å
80F28.2Very low25.6Very low182 Ų182111.9 Ų111.980%0.79874%0.741SS**G310 helixtrans-88.113.1177.5-76.4-80.2000114.1S78 V82S78-F80 VanDerWaalsContact C-N 3.3Å; S78-F80 PolarHBondContact O-N 2.92Å; F80-V82 PolarHBondContact O-N 2.96Å
81S23.4Very low25.6Very low97 Ų97106.1 Ų106.168%0.67873%0.734SS**  trans-85.380174.1-35.20000110S78 L79S78-S81 PolarHBondContact O-OG 2.98Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.35Å
82V28.2Very low25.7Very low125 Ų125104.4 Ų104.476%0.75873%0.734SS**  trans-93120.6172.7-176.10000108.1F80F80-V82 PolarHBondContact O-N 2.96Å
83P27Very low25.6Very low110 Ų110105.3 Ų105.371%0.71473%0.73SS**  -145.6125.2107.334.8-17.5000109.2
84S23.6Very low25.6Very low103 Ų103101.2 Ų101.272%0.7270%0.703SS**  158.7158.178.2420000107.5
85A25.3Very low25.6Very low90 Ų9096.3 Ų96.374%0.74467%0.671SS**  trans65.588.7163.900000114.8
86N23.5Very low25.6Very low169 Ų16991.6 Ų91.690%0.90464%0.644SS**  52.6111.6106.3-104.234000112
87A23.5Very low25.3Very low79 Ų7990.3 Ų90.365%0.65363%0.63SS**  cis-160.8140.943.400000107.5
88A24Very low25.1Very low102 Ų10291.5 Ų91.584%0.84362%0.618SS**  44.998.1105.100000113.1
89A25.8Very low25Very low98 Ų9889.9 Ų89.981%0.8161%0.606SS**  trans-175.2104.1138.800000104.7
90G22.1Very low24.7Very low85 Ų8587.1 Ų87.188%0.87660%0.598SS**  78.611369.500000107.5
91G23.7Very low24.5Very low78 Ų7883 Ų8380%0.80459%0.592SS**  cis-166.4156.70.900000108.2
92A25.2Very low24.6Very low97 Ų9782.7 Ų82.780%0.80260%0.596SS**  trans-12291.4167.500000107.6S94A92-S94 PolarHBondContact O-N 3.24Å
93T23.8Very low24.6Very low106 Ų10682 Ų8265%0.6560%0.603SS**  trans-70111.8151.934.90000107.6
94S24.8Very low24.8Very low20 Ų2080.1 Ų80.114%0.1460%0.604CS.*  163.1137.8113.7-65.50000109.9A92 Q246A92-S94 PolarHBondContact O-N 3.24Å; S94-Q246 VanDerWaalsContact C-CB 3.49Å; S94-Q246 VanDerWaalsContact CB-O 3.29Å; S94-Q246 WeakPolarHBondContact CB-O 3.41Å; S94-Q246 PolarHBondContact O-N 3.43Å
95A26.3Very low24.8Very low5 Ų581.2 Ų81.24%0.04160%0.598CS.*  trans163.750.8153.700000115.1S97 P244 Q246 P255 Y256A95-S97 PolarHBondContact O-N 2.84Å; A95-P244 WeakPolarHBondContact CB-O 3.41Å; A95-Q246 HydrophobicContact CB-CB 4.36Å; A95-Q246 HydrophobicContact CB-CG 4.24Å; A95-P255 HydrophobicContact CB-CB 3.9Å; A95-P255 CarbonylContact O-C 3.54Å; A95-P255 WeakPolarHBondContact O-CA 3.28Å; A95-P255 WeakPolarHBondContact O-CB 3.04Å; A95-Y256 PolarHBondContact O-N 2.79Å
96S25.3Very low24.9Very low16 Ų1686.5 Ų86.511%0.11261%0.607CS.*  trans-92.887.7175.3-162.40000111.6Y253 P254S96-Y253 VanDerWaalsContact CB-CB 3.46Å; S96-Y253 WeakPolarHBondContact CB-O 3.36Å; S96-P254 WeakPolarHBondContact CB-O 3.33Å; S96-P254 PolarHBondContact OG-O 3.43Å
97S22.5Very low25.2Very low45 Ų4586.5 Ų86.532%0.31560%0.596SS.*  trans-70.1167.6152.643.90000108.6A95 V243 A257A95-S97 PolarHBondContact O-N 2.84Å; S97-V243 WeakPolarHBondContact OG-CG1 3.3Å; S97-A257 CarbonylContact C-O 3.55Å; S97-A257 WeakPolarHBondContact CA-O 3.39Å; S97-A257 WeakPolarHBondContact CB-O 3.29Å; S97-A257 CarbonylContact O-C 3.59Å; S97-A257 VanDerWaalsContact O-C 3.27Å; S97-A257 WeakPolarHBondContact O-CA 2.78Å; S97-A257 WeakPolarHBondContact O-CB 3.29Å; S97-A257 PolarHBondContact O-N 2.92Å; S97-A257 PolarHBondContact OG-O 3.45Å
98Y23.3Very low25.5Very low105 Ų10591.8 Ų91.841%0.41260%0.604SS.*  trans-115.4178.5-176-80.3-91.9000112.2Y253 A257 W258 I259Y98-Y253 AromaticContact CZ-CD1 3.97Å; Y98-Y253 WeakPolarHBondContact OH-CD1 3.08Å; Y98-Y253 WeakPolarHBondContact OH-CE1 3.2Å; Y98-Y253 VanDerWaalsContact OH-CG 3.23Å; Y98-Y253 VanDerWaalsContact OH-CZ 3.3Å; Y98-A257 CarbonylContact C-O 2.79Å; Y98-A257 PolarHBondContact N-O 2.92Å; Y98-A257 CarbonylContact O-C 2.69Å; Y98-W258 CarbonylContact O-C 3.27Å; Y98-W258 WeakPolarHBondContact O-CA 3.32Å; Y98-W258 PolarHBondContact O-N 3.22Å; Y98-I259 VanDerWaalsContact CB-CD1 3.41Å; Y98-I259 VanDerWaalsContact O-CA 3.3Å; Y98-I259 WeakPolarHBondContact O-CA 3.22Å; Y98-I259 WeakPolarHBondContact O-CB 3.34Å; Y98-I259 WeakPolarHBondContact O-CD1 3.27Å; Y98-I259 WeakPolarHBondContact O-CG1 3.04Å; Y98-I259 PolarHBondContact O-N 2.99Å
99T23.7Very low25.7Very low29 Ų2997.9 Ų97.918%0.17861%0.605CS.*  trans87.5107.2-176.5145.90000115.1W258 I259T99-W258 VanDerWaalsContact CB-C 3.48Å; T99-W258 WeakPolarHBondContact CB-O 2.89Å; T99-W258 CarbonylContact O-C 3.39Å; T99-W258 PolarHBondContact O-N 2.84Å; T99-W258 VanDerWaalsContact O-O 3.05Å; T99-W258 PolarHBondContact OG1-O 3.35Å; T99-I259 VanDerWaalsContact CG2-CA 3.47Å; T99-I259 HydrophobicContact CG2-CB 3.49Å; T99-I259 VanDerWaalsContact CG2-CB 3.49Å; T99-I259 HydrophobicContact CG2-CD1 4.38Å; T99-I259 HydrophobicContact CG2-CG1 2.99Å; T99-I259 HydrophobicContact CG2-CG2 3.75Å; T99-I259 WeakPolarHBondContact OG1-CA 3.36Å
100S24.9Very low25.8Very low88 Ų8899 Ų9962%0.61560%0.598SS**  74.472.460.686.20000112.5A102S100-A102 PolarHBondContact O-N 3.26Å
101S24.6Very low26.2Very low96 Ų96101.9 Ų101.967%0.67159%0.588SS**  trans-57.2122.7146.944.80000108.6
102A25.3Very low26.8Very low91 Ų91106.1 Ų106.175%0.75259%0.585SS**  trans-46.9148.4-179.400000113.3S100 G104S100-A102 PolarHBondContact O-N 3.26Å; A102-G104 PolarHBondContact O-N 2.86Å
103A28.2Very low26.9Very low110 Ų110111 Ų11191%0.90958%0.584SS**SBendtrans-43.8101.317000000111.4
104G30.9Very low27.1Very low71 Ų71115.9 Ų115.973%0.73259%0.591SS**SBendtrans-117.5-34.3168.600000111.8A102A102-G104 PolarHBondContact O-N 2.86Å
105E25.1Very low27.4Very low126 Ų126120.3 Ų120.359%0.58962%0.62SS**SBendtrans-139.1132.3174.6-60.9-168.7153.600108.3Y107E105-Y107 HydrophobicContact CB-CD1 4.41Å; E105-Y107 HydrophobicContact CB-CD2 4.14Å; E105-Y107 HydrophobicContact CB-CE1 3.95Å; E105-Y107 HydrophobicContact CB-CE2 3.7Å; E105-Y107 HydrophobicContact CB-CG 4.49Å; E105-Y107 VanDerWaalsContact O-CD2 3.28Å; E105-Y107 WeakPolarHBondContact O-CD2 2.73Å; E105-Y107 PolarHBondContact O-N 2.97Å; E105-Y107 VanDerWaalsContact OE2-CE1 3.28Å; E105-Y107 WeakPolarHBondContact OE2-CE1 3.11Å; E105-Y107 PolarHBondContact OE2-OH 3.32Å
106Q27.5Very low27.4Very low201 Ų201131.3 Ų131.394%0.93966%0.662SS**  trans-63.679.6170.1-70.1170.1-18.700107.8K108Q106-K108 PolarHBondContact O-N 2.92Å
107Y29.8Very low27.5Very low169 Ų169133.6 Ų133.666%0.66369%0.688SS**  trans-71.486.3175.4-68.7-65.2000108.1E105 W109E105-Y107 HydrophobicContact CB-CD1 4.41Å; E105-Y107 HydrophobicContact CB-CD2 4.14Å; E105-Y107 HydrophobicContact CB-CE1 3.95Å; E105-Y107 HydrophobicContact CB-CE2 3.7Å; E105-Y107 HydrophobicContact CB-CG 4.49Å; E105-Y107 VanDerWaalsContact O-CD2 3.28Å; E105-Y107 WeakPolarHBondContact O-CD2 2.73Å; E105-Y107 PolarHBondContact O-N 2.97Å; E105-Y107 VanDerWaalsContact OE2-CE1 3.28Å; E105-Y107 WeakPolarHBondContact OE2-CE1 3.11Å; E105-Y107 PolarHBondContact OE2-OH 3.32Å; Y107-W109 PolarHBondContact O-N 3.07Å
108K28Very low27.8Very low190 Ų190139.9 Ų139.983%0.82672%0.718SS**  trans-47.8109166.7-169.7178.5176.6-176.20107.1Q106 N110Q106-K108 PolarHBondContact O-N 2.92Å; K108-N110 VanDerWaalsContact C-N 3.34Å; K108-N110 PolarHBondContact O-N 3.37Å
109W28.8Very low28.1Very low229 Ų229146.3 Ų146.387%0.86774%0.741SS**  trans-53.392.8-178.7-64.589.9000110.5Y107 H111Y107-W109 PolarHBondContact O-N 3.07Å; W109-H111 PolarHBondContact O-N 2.88Å
110N27.5Very low28.3Very low123 Ų123149.6 Ų149.666%0.65877%0.765SS**  trans-73.190.5160.4-94.7-3.7000105.7K108 F112K108-N110 VanDerWaalsContact C-N 3.34Å; K108-N110 PolarHBondContact O-N 3.37Å; N110-F112 HydrophobicContact CB-CE2 4.28Å; N110-F112 WeakPolarHBondContact O-CD2 3.16Å; N110-F112 PolarHBondContact O-N 3.37Å
111H30.2Very low28.5Very low144 Ų144151.9 Ų151.967%0.66778%0.776SS**  trans-54.895.8158.5-83.4-177.9000107.4W109 Y113W109-H111 PolarHBondContact O-N 2.88Å; H111-Y113 VanDerWaalsContact C-N 3.27Å; H111-Y113 WeakPolarHBondContact O-CD2 2.99Å; H111-Y113 PolarHBondContact O-N 2.85Å
112F37.6Very low28.7Very low168 Ų168150.1 Ų150.174%0.73777%0.772SS**  trans-6499.4159.8-70.2-81000106.1N110 Y114N110-F112 HydrophobicContact CB-CE2 4.28Å; N110-F112 WeakPolarHBondContact O-CD2 3.16Å; N110-F112 PolarHBondContact O-N 3.37Å; F112-Y114 PolarHBondContact O-N 2.92Å
113Y27.5Very low28.7Very low199 Ų199155.1 Ų155.178%0.7877%0.773SS**  trans-55.298.9168.3-75.4-94.8000108.1H111 P115H111-Y113 VanDerWaalsContact C-N 3.27Å; H111-Y113 WeakPolarHBondContact O-CD2 2.99Å; H111-Y113 PolarHBondContact O-N 2.85Å; Y113-P115 WeakPolarHBondContact O-CD 3.32Å
114Y27Very low28.6Very low208 Ų208156.7 Ų156.782%0.81677%0.766SS**  trans-68.6119.1160.3-83.3-86.1000106.9F112 Y116F112-Y114 PolarHBondContact O-N 2.92Å; Y114-Y116 PolarHBondContact O-N 3.19Å
115P30.8Very low28.5Very low114 Ų114163.7 Ų163.774%0.7477%0.771SS**  trans-64.2126.9-178.826.6-32.3000108.8Y113 G117Y113-P115 WeakPolarHBondContact O-CD 3.32Å; P115-G117 PolarHBondContact O-N 3.12Å
116Y26.5Very low28.6Very low235 Ų235167.4 Ų167.492%0.92279%0.785SS**SBendtrans-42.3110.3169-61.4-88.7000110.8Y114Y114-Y116 PolarHBondContact O-N 3.19Å
117G27.3Very low28.5Very low65 Ų65161.4 Ų161.467%0.6778%0.777SS**  trans-165.6-16.9178.200000115.1P115P115-G117 PolarHBondContact O-N 3.12Å
118L29.7Very low28.3Very low177 Ų177156.5 Ų156.593%0.92778%0.778SS**  trans-111.179.2172.8-69161.9000108.3S120L118-S120 PolarHBondContact O-N 2.93Å
119R28.3Very low28.2Very low240 Ų240155.3 Ų155.391%0.90678%0.781SS**  trans-65.293.4167.6-68.8176.4119.7-1640.5107.2T121R119-T121 VanDerWaalsContact C-N 3.3Å; R119-T121 PolarHBondContact O-N 2.83Å
120S29.6Very low28.1Very low97 Ų97150 Ų15068%0.67878%0.778SS**  trans-48.8100.9151.3173.70000106.8L118 G122L118-S120 PolarHBondContact O-N 2.93Å; S120-G122 PolarHBondContact O-N 3.19Å
121T27.4Very low28.1Very low137 Ų137148.9 Ų148.984%0.8479%0.786SS**  trans-59.190.6158.627.10000105.8R119 Y123R119-T121 VanDerWaalsContact C-N 3.3Å; R119-T121 PolarHBondContact O-N 2.83Å; T121-Y123 PolarHBondContact O-N 2.94Å
122G28.7Very low28Very low58 Ų58146.8 Ų146.860%0.59879%0.794SS**  trans-56.3110.6174.300000108.3S120 D124S120-G122 PolarHBondContact O-N 3.19Å; G122-D124 PolarHBondContact O-N 3.17Å
123Y27.1Very low27.4Very low196 Ų196145.4 Ų145.477%0.76979%0.794SS**  trans23.198.6136.6-68.3-87.4000114.3T121 R125T121-Y123 PolarHBondContact O-N 2.94Å; Y123-R125 VanDerWaalsContact C-N 3.27Å; Y123-R125 PolarHBondContact O-N 3.5Å
124D24.7Very low27.3Very low144 Ų144145.5 Ų145.577%0.7780%0.802SS**  trans-50.291.3159.4-168.6-9.7000109.1G122 F126G122-D124 PolarHBondContact O-N 3.17Å; D124-F126 VanDerWaalsContact C-N 3.31Å; D124-F126 PolarHBondContact O-N 2.86Å
125R28.6Very low27.4Very low218 Ų218140.6 Ų140.682%0.82379%0.794SS**  trans-87.282.5171.9-72.5-173.8-169-174.43.5106.8Y123Y123-R125 VanDerWaalsContact C-N 3.27Å; Y123-R125 PolarHBondContact O-N 3.5Å
126F27.8Very low27.2Very low204 Ų204143.5 Ų143.590%0.89580%0.797SS**SBendtrans54.294.6157.9-58-79.1000115.5D124D124-F126 VanDerWaalsContact C-N 3.31Å; D124-F126 PolarHBondContact O-N 2.86Å
127G25.6Very low27.4Very low75 Ų75138.6 Ų138.677%0.77379%0.792SS**  trans114.6105.514400000114.1
128G25Very low27.4Very low65 Ų65141.3 Ų141.367%0.6780%0.796SS**  trans146.4100.516400000111.7S130G128-S130 PolarHBondContact O-N 2.79Å
129D26.8Very low27.5Very low166 Ų166137 Ų13789%0.88879%0.785SS**  trans-40.7128.2174.1-57.5-73.1000113.5
130S26.6Very low27.4Very low117 Ų117133 Ų13382%0.81878%0.782SS**  trans-156.575.4155.2-75.40000109.3G128G128-S130 PolarHBondContact O-N 2.79Å
131A27.5Very low27.4Very low99 Ų99135.4 Ų135.482%0.81879%0.786SS**  trans-55.2148.2150.600000109.4
132A27.6Very low27.5Very low101 Ų101136.9 Ų136.984%0.83579%0.789SS**  trans7988176.100000116.2
133N25.6Very low27.7Very low139 Ų139139.8 Ų139.874%0.74379%0.794SS**  -178.467.7116.7-151-19.6000110.2T135N133-T135 VanDerWaalsContact C-N 3.34Å; N133-T135 PolarHBondContact O-N 3.41Å; N133-T135 VanDerWaalsContact O-N 3.16Å
134Q25.8Very low27.8Very low200 Ų200136.6 Ų136.694%0.93580%0.801SS**  trans-83.386.2170.6-74.6-97.5-28.600107.5Q136Q134-Q136 PolarHBondContact O-N 2.99Å; Q134-Q136 VanDerWaalsContact O-N 3.1Å
135T27.5Very low28Very low106 Ų106132.7 Ų132.765%0.6580%0.795SS**  trans-60.3112.5175.3-42.50000109.2N133 T137N133-T135 VanDerWaalsContact C-N 3.34Å; N133-T135 PolarHBondContact O-N 3.41Å; N133-T135 VanDerWaalsContact O-N 3.16Å; T135-T137 PolarHBondContact O-N 3.16Å; T135-T137 PolarHBondContact O-OG1 2.77Å
136Q28.2Very low28Very low174 Ų174126.3 Ų126.381%0.81380%0.796SS**  trans-50.7103.9177.8-175.4176.36.200110.4Q134 T138Q134-Q136 PolarHBondContact O-N 2.99Å; Q134-Q136 VanDerWaalsContact O-N 3.1Å; Q136-T138 PolarHBondContact O-N 2.86Å
137T29.7Very low28.1Very low132 Ų132120.6 Ų120.681%0.8180%0.795SS**  trans-86.496.2176.7-560000108T135 A139T135-T137 PolarHBondContact O-N 3.16Å; T135-T137 PolarHBondContact O-OG1 2.77Å; T137-A139 PolarHBondContact O-N 2.87Å
138T27.7Very low28.2Very low122 Ų122121 Ų12175%0.74880%0.799SS**  trans-66.898.2177-440000109.6Q136 N140Q136-T138 PolarHBondContact O-N 2.86Å; T138-N140 PolarHBondContact O-N 2.8Å
139A30.8Very low28.5Very low86 Ų86121.6 Ų121.671%0.71181%0.805SS**  trans-75.4106.4172.700000109.5T137 L141T137-A139 PolarHBondContact O-N 2.87Å; A139-L141 PolarHBondContact O-N 3.07Å
140N27.9Very low28.7Very low156 Ų156118.1 Ų118.183%0.83481%0.809SS**  trans-7786.6176.8-162.525.4000109.4T138 L142T138-N140 PolarHBondContact O-N 2.8Å; N140-L142 PolarHBondContact O-N 3.42Å
141L29.4Very low28.9Very low148 Ų148115.8 Ų115.878%0.77580%0.803SS**  trans-82.7106.3-179.4-159.574.2000109.6A139 V143A139-L141 PolarHBondContact O-N 3.07Å; L141-V143 PolarHBondContact O-N 2.96Å; L141-V143 VanDerWaalsContact O-N 3.1Å
142L29.8Very low29.4Very low169 Ų169117 Ų11789%0.88580%0.801SS**  trans-74.496.3176.9-170.565.7000109.7N140 S144N140-L142 PolarHBondContact O-N 3.42Å; L142-S144 PolarHBondContact O-N 3.05Å
143V32.6Very low29.4Very low118 Ų118116.5 Ų116.572%0.71580%0.796SS**  trans-80.9110.7176.4-179.20000109.4L141 G145L141-V143 PolarHBondContact O-N 2.96Å; L141-V143 VanDerWaalsContact O-N 3.1Å; V143-G145 PolarHBondContact O-N 2.81Å
144S28.5Very low29.7Very low129 Ų129116 Ų11690%0.90280%0.799SS**  trans-83.192.4172-175.40000109.3L142L142-S144 PolarHBondContact O-N 3.05Å
145G29.4Very low30Very low63 Ų63112.1 Ų112.165%0.64979%0.788SS**  trans-122.7129171.500000109.2V143V143-G145 PolarHBondContact O-N 2.81Å
146G28.2Very low30.1Very low83 Ų83113.6 Ų113.686%0.85679%0.792SS**  trans-62.8148.4-165.900000115.9
147G29Very low30.4Very low85 Ų85112.5 Ų112.588%0.87679%0.791SS**SBendtrans6391.2145.600000117.2
148G29.1Very low30.3Very low82 Ų82110.7 Ų110.785%0.84578%0.784SS**SBendtrans113.195.2156.200000114.3
149G31.2Very low30.6Very low78 Ų78108.5 Ų108.580%0.80478%0.778SS**  trans89.597.1167.400000113.4G151G149-G151 PolarHBondContact O-N 3.23Å
150G31.4Very low30.4Very low94 Ų94109.6 Ų109.697%0.96978%0.778SS**  trans-68.768.2177.600000113.8
151G30.3Very low30.7Very low67 Ų67108.1 Ų108.169%0.69178%0.777SS**  trans-92.3109.7168.400000110.3G149 A153G149-G151 PolarHBondContact O-N 3.23Å; G151-A153 PolarHBondContact O-N 2.94Å; G151-A153 VanDerWaalsContact O-N 3.07Å
152T36.9Very low30.8Very low125 Ų125108.1 Ų108.177%0.76778%0.776SS**  trans-57.5107.8167.440.60000110T154T152-T154 PolarHBondContact O-N 2.95Å; T152-T154 VanDerWaalsContact O-N 3.1Å
153A29.5Very low30.6Very low90 Ų90106 Ų10674%0.74477%0.766SS**  trans-75.294.2170.100000109G151 V155G151-A153 PolarHBondContact O-N 2.94Å; G151-A153 VanDerWaalsContact O-N 3.07Å; A153-V155 PolarHBondContact O-N 3.47Å; A153-V155 VanDerWaalsContact O-N 3.14Å
154T31.8Very low30.5Very low130 Ų130108.2 Ų108.280%0.79877%0.773SS**  trans-70.2102.8168.429.50000109.3T152 N156T152-T154 PolarHBondContact O-N 2.95Å; T152-T154 VanDerWaalsContact O-N 3.1Å; T154-N156 PolarHBondContact O-N 3.48Å; T154-N156 VanDerWaalsContact O-N 3.07Å
155V30.9Very low30.4Very low117 Ų117108.8 Ų108.871%0.70977%0.766SS**  trans-71.598.1169-178.70000107.7A153 L157A153-V155 PolarHBondContact O-N 3.47Å; A153-V155 VanDerWaalsContact O-N 3.14Å; V155-L157 HydrophobicContact CG1-CD1 4.08Å; V155-L157 HydrophobicContact CG1-CG 4.04Å; V155-L157 PolarHBondContact O-N 3.48Å; V155-L157 VanDerWaalsContact O-N 3.1Å
156N30.5Very low30.1Very low138 Ų138114 Ų11474%0.73877%0.773SS**  trans-78.788.9175.5-170.85.3000109.4T154 S158T154-N156 PolarHBondContact O-N 3.48Å; T154-N156 VanDerWaalsContact O-N 3.07Å; N156-S158 PolarHBondContact O-N 2.76Å; N156-S158 WeakPolarHBondContact OD1-CB 3.14Å; N156-S158 PolarHBondContact OD1-N 2.78Å
157L33.8Very low30.1Very low151 Ų151115.2 Ų115.279%0.79177%0.769SS**  trans-74.658.8168.1-73139.5000109.9V155 A159V155-L157 HydrophobicContact CG1-CD1 4.08Å; V155-L157 HydrophobicContact CG1-CG 4.04Å; V155-L157 PolarHBondContact O-N 3.48Å; V155-L157 VanDerWaalsContact O-N 3.1Å; L157-A159 PolarHBondContact O-N 2.51Å; L157-A159 VanDerWaalsContact O-N 3.1Å
158S27.4Very low30.1Very low94 Ų94115.7 Ų115.766%0.65776%0.759SS**  trans-83.463.9165-168.90000108.2N156N156-S158 PolarHBondContact O-N 2.76Å; N156-S158 WeakPolarHBondContact OD1-CB 3.14Å; N156-S158 PolarHBondContact OD1-N 2.78Å
159A33.5Very low30.1Very low76 Ų76117.9 Ų117.963%0.62876%0.755SS**PPolyproline II helixtrans-89.5124.5162.700000106.9L157L157-A159 PolarHBondContact O-N 2.51Å; L157-A159 VanDerWaalsContact O-N 3.1Å
160P28.1Very low29.9Very low108 Ų108120.4 Ų120.470%0.70175%0.751SS**PPolyproline II helixtrans-58.2144.6173.923.7-31.2000109.5I162P160-I162 PolarHBondContact O-N 3.13Å; P160-I162 VanDerWaalsContact O-N 3.16Å
161P33.9Very low29.8Very low126 Ų126120.3 Ų120.382%0.81874%0.741SS**PPolyproline II helixtrans-56.1123.4-177.521.3-31.6000110.3N163P161-N163 PolarHBondContact O-N 3.04Å
162I31Very low29.6Very low147 Ų147122.3 Ų122.375%0.75474%0.744SS**  trans-63.7108.6176.5-59.4176.1000107.5P160 L164P160-I162 PolarHBondContact O-N 3.13Å; P160-I162 VanDerWaalsContact O-N 3.16Å; I162-L164 HydrophobicContact CG2-CG 4.37Å; I162-L164 PolarHBondContact O-N 2.86Å; I162-L164 VanDerWaalsContact O-N 3.13Å
163N25.8Very low29.1Very low124 Ų124119.6 Ų119.666%0.66374%0.741SS**  trans-77.896.9174.9-167.2-36.2000108.6P161 N165P161-N163 PolarHBondContact O-N 3.04Å; N163-N165 PolarHBondContact O-N 3.01Å; N163-N165 WeakPolarHBondContact OD1-CB 3.07Å; N163-N165 PolarHBondContact OD1-N 2.84Å
164L30.8Very low29Very low165 Ų165118.9 Ų118.986%0.86474%0.743SS**THydrogen-bonded Turntrans-68.55.7-178-76.2126.5000114.5I162 Q166I162-L164 HydrophobicContact CG2-CG 4.37Å; I162-L164 PolarHBondContact O-N 2.86Å; I162-L164 VanDerWaalsContact O-N 3.13Å; L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 2.78Å
165N25.4Very low29Very low142 Ų142119.8 Ų119.876%0.75975%0.748SS**THydrogen-bonded Turntrans-92.114.7-177.7-156.410.5000114.5N163 S167N163-N165 PolarHBondContact O-N 3.01Å; N163-N165 WeakPolarHBondContact OD1-CB 3.07Å; N163-N165 PolarHBondContact OD1-N 2.84Å; N165-S167 PolarHBondContact O-N 2.99Å
166Q24.6Very low29.1Very low172 Ų172121.3 Ų121.380%0.80475%0.752SS**  trans-97.383.3171.7-66.7-169.2-31.600109.9L164 S168L164-Q166 VanDerWaalsContact C-N 3.34Å; L164-Q166 PolarHBondContact O-N 2.78Å; Q166-S168 PolarHBondContact O-N 2.92Å
167S27.7Very low29.4Very low109 Ų109119 Ų11976%0.76275%0.751SS**  trans-63.488159.1-174.40000108N165 T169N165-S167 PolarHBondContact O-N 2.99Å; S167-T169 PolarHBondContact O-N 2.94Å; S167-T169 VanDerWaalsContact O-N 3.08Å
168S29.8Very low29.5Very low95 Ų95117 Ų11766%0.66475%0.746SS**  trans-72.997.3171.6-1790000107.8Q166 N170Q166-S168 PolarHBondContact O-N 2.92Å; S168-N170 PolarHBondContact O-N 2.77Å
169T27.6Very low29.7Very low127 Ų127121.4 Ų121.478%0.77976%0.756SS**  trans-69.481.8168-1.30000107.3S167 A171S167-T169 PolarHBondContact O-N 2.94Å; S167-T169 VanDerWaalsContact O-N 3.08Å; T169-A171 PolarHBondContact O-N 3.01Å
170N27.5Very low29.4Very low131 Ų131121.9 Ų121.970%0.70177%0.768SS**  trans-8159.7176.4-142.71.3000109.1S168 S172S168-N170 PolarHBondContact O-N 2.77Å; N170-S172 PolarHBondContact O-N 2.77Å; N170-S172 PolarHBondContact OD1-OG 3.2Å
171A29.1Very low29.7Very low92 Ų92122.2 Ų122.276%0.7676%0.764SS**  trans-81.162.9172.600000109.1T169 G173T169-A171 PolarHBondContact O-N 3.01Å; A171-G173 VanDerWaalsContact C-N 3.25Å; A171-G173 PolarHBondContact O-N 3Å; A171-G173 VanDerWaalsContact O-N 3.15Å
172S26.4Very low30Very low110 Ų110122 Ų12277%0.76976%0.762SS**  trans-84.573.1170.1-61.10000108.2N170N170-S172 PolarHBondContact O-N 2.77Å; N170-S172 PolarHBondContact OD1-OG 3.2Å
173G26.8Very low30.1Very low68 Ų68123.9 Ų123.970%0.70176%0.762SS**  trans-138.699.2-179.700000110.8A171A171-G173 VanDerWaalsContact C-N 3.25Å; A171-G173 PolarHBondContact O-N 3Å; A171-G173 VanDerWaalsContact O-N 3.15Å
174G26.8Very low30.1Very low75 Ų75120.9 Ų120.977%0.77376%0.76SS**  trans23.2112.6158.700000118.9D176G174-D176 PolarHBondContact O-N 2.89Å
175V30.9Very low29.9Very low149 Ų149121.3 Ų121.390%0.90376%0.757SS**  trans-56101.8154.5-74.70000110.1
176D34.4Very low30Very low148 Ų148123.2 Ų123.279%0.79176%0.761SS**  trans-104.3101.1147.4-160.9-7.6000106.8G174 T178G174-D176 PolarHBondContact O-N 2.89Å; D176-T178 PolarHBondContact O-N 2.9Å
177A36.3Very low30.1Very low89 Ų89123.5 Ų123.574%0.73676%0.762SS**  trans-82.367.6-171.900000109.7
178T35.8Very low30Very low111 Ų111127 Ų12768%0.68177%0.767SS**SBendtrans-159.5130.8159.3-62.10000107.9D176D176-T178 PolarHBondContact O-N 2.9Å
179E31.5Very low29.8Very low186 Ų186127.9 Ų127.987%0.86977%0.773SS**  trans83.479.9179.5-63.8166.5-155.300116.2N181E179-N181 PolarHBondContact O-N 3.35Å
180G28.1Very low29.8Very low85 Ų85126.4 Ų126.488%0.87677%0.774SS**  trans-60.7115.7162.500000112.1
181N32.8Very low29.6Very low115 Ų115122.9 Ų122.962%0.61577%0.769SS**  trans-150107.5147.7-16814000109E179 Y183 G184E179-N181 PolarHBondContact O-N 3.35Å; N181-Y183 PolarHBondContact O-N 2.95Å; N181-G184 PolarHBondContact O-N 2.97Å
182P42.1Very low29.3Very low121 Ų121123 Ų12379%0.78677%0.77SS**THydrogen-bonded Turntrans-73.822.1-175.529.6-34.6000114.9
183Y31.8Very low29.4Very low188 Ų188122.8 Ų122.874%0.73776%0.76SS**THydrogen-bonded Turntrans-112.534.5168.5-62-72.7000111.4N181 H185N181-Y183 PolarHBondContact O-N 2.95Å; Y183-H185 PolarHBondContact O-CD2 3.41Å; Y183-H185 PolarHBondContact O-N 2.78Å; Y183-H185 VanDerWaalsContact O-N 3.07Å
184G26.7Very low29.2Very low61 Ų61125 Ų12563%0.62976%0.764SS**  trans-57.6108.6174.600000111.2N181 H186N181-G184 PolarHBondContact O-N 2.97Å; G184-H186 PolarHBondContact O-N 3.43Å
185H26.7Very low29.1Very low173 Ų173129.3 Ų129.380%0.80176%0.762SS**  trans-51.7126-178.5-76.1-115.3000111.8Y183 Q187Y183-H185 PolarHBondContact O-CD2 3.41Å; Y183-H185 PolarHBondContact O-N 2.78Å; Y183-H185 VanDerWaalsContact O-N 3.07Å; H185-Q187 VanDerWaalsContact C-N 3.33Å; H185-Q187 PolarHBondContact O-N 3.43Å
186H27.5Very low28.7Very low182 Ų182128.9 Ų128.984%0.84376%0.755SS**  trans-56.596.6165.3-45.8-105.2000107.8G184 Q188G184-H186 PolarHBondContact O-N 3.43Å; H186-Q188 VanDerWaalsContact C-N 3.27Å; H186-Q188 PolarHBondContact O-N 3.49Å
187Q25.2Very low28.2Very low178 Ų178127.1 Ų127.183%0.83275%0.754SS**  trans-6893.4170.2-70.5-174.5-8.600107.1H185 S189H185-Q187 VanDerWaalsContact C-N 3.33Å; H185-Q187 PolarHBondContact O-N 3.43Å; Q187-S189 VanDerWaalsContact C-N 3.25Å; Q187-S189 PolarHBondContact O-N 2.98Å
188Q26.6Very low27.6Very low182 Ų182126.2 Ų126.285%0.8575%0.747SS**  trans-64.992.3164.6-73.7175.9-34.800106.9H186 A190H186-Q188 VanDerWaalsContact C-N 3.27Å; H186-Q188 PolarHBondContact O-N 3.49Å; Q188-A190 VanDerWaalsContact C-N 3.28Å; Q188-A190 PolarHBondContact O-N 2.62Å
189S26.1Very low26.9Very low114 Ų114125.8 Ų125.880%0.79775%0.747SS**  trans-60.698.5164.6-59.50000107.2Q187 G191Q187-S189 VanDerWaalsContact C-N 3.25Å; Q187-S189 PolarHBondContact O-N 2.98Å; S189-G191 PolarHBondContact O-N 3.37Å
190A26.2Very low26.6Very low97 Ų97122.2 Ų122.280%0.80274%0.74SS**  trans-64.28316800000107.8Q188 A192Q188-A190 VanDerWaalsContact C-N 3.28Å; Q188-A190 PolarHBondContact O-N 2.62Å; A190-A192 PolarHBondContact O-N 3.42Å
191G24.2Very low26.4Very low57 Ų57123 Ų12359%0.58873%0.732SS**  trans-58.497.2161.600000106.8S189 N193S189-G191 PolarHBondContact O-N 3.37Å; G191-N193 PolarHBondContact O-N 3.18Å; G191-N193 PolarHBondContact O-OD1 2.57Å
192A23.6Very low26.1Very low95 Ų95124.3 Ų124.379%0.78574%0.744SS**  trans-65.683.9172.300000107.5A190 S194A190-A192 PolarHBondContact O-N 3.42Å; A192-S194 PolarHBondContact O-N 2.74Å
193N26.7Very low25.3Very low105 Ų105122 Ų12256%0.56174%0.735SS**  trans-66.392.5163.9-54.5-6.7000104.6G191 F195G191-N193 PolarHBondContact O-N 3.18Å; G191-N193 PolarHBondContact O-OD1 2.57Å; N193-F195 HydrophobicContact CB-CD2 4.25Å; N193-F195 HydrophobicContact CB-CE2 3.86Å; N193-F195 HydrophobicContact CB-CZ 4.46Å; N193-F195 VanDerWaalsContact O-CD2 3.32Å; N193-F195 WeakPolarHBondContact O-CD2 2.91Å; N193-F195 PolarHBondContact O-N 2.62Å
194S22.4Very low25Very low114 Ų114117.3 Ų117.380%0.79774%0.735SS**  trans-64.982.8173.752.90000108.1A192 N196A192-S194 PolarHBondContact O-N 2.74Å; S194-N196 VanDerWaalsContact C-N 3.26Å; S194-N196 PolarHBondContact O-N 2.81Å
195F24.8Very low25Very low166 Ų166126 Ų12673%0.72875%0.751SS**  trans-62.1100.2161.2-69.6-78.8000106N193 S197N193-F195 HydrophobicContact CB-CD2 4.25Å; N193-F195 HydrophobicContact CB-CE2 3.86Å; N193-F195 HydrophobicContact CB-CZ 4.46Å; N193-F195 VanDerWaalsContact O-CD2 3.32Å; N193-F195 WeakPolarHBondContact O-CD2 2.91Å; N193-F195 PolarHBondContact O-N 2.62Å; F195-S197 VanDerWaalsContact C-N 3.26Å; F195-S197 PolarHBondContact O-N 2.86Å; F195-S197 PolarHBondContact O-OG 3.43Å
196N22.8Very low24.9Very low139 Ų139121 Ų12174%0.74375%0.746SS**  trans-49.496.8167.3-177.71000107.2S194 A198S194-N196 VanDerWaalsContact C-N 3.26Å; S194-N196 PolarHBondContact O-N 2.81Å; N196-A198 PolarHBondContact O-N 3.48Å; N196-A198 VanDerWaalsContact OD1-CB 3.23Å; N196-A198 WeakPolarHBondContact OD1-CB 3.22Å
197S23.5Very low24.7Very low111 Ų111121.3 Ų121.378%0.77675%0.747SS**  trans-75.529.6-174.3-59.20000111.6F195 C199F195-S197 VanDerWaalsContact C-N 3.26Å; F195-S197 PolarHBondContact O-N 2.86Å; F195-S197 PolarHBondContact O-OG 3.43Å; S197-C199 VanDerWaalsContact C-N 3.25Å; S197-C199 PolarHBondContact O-N 3.47Å
198A23.7Very low24.8Very low71 Ų71118.8 Ų118.859%0.58774%0.739SS**  trans-847.3178.700000113.6N196 P200N196-A198 PolarHBondContact O-N 3.48Å; N196-A198 VanDerWaalsContact OD1-CB 3.23Å; N196-A198 WeakPolarHBondContact OD1-CB 3.22Å; A198-P200 VanDerWaalsContact O-CD 3.29Å; A198-P200 WeakPolarHBondContact O-CD 3.01Å
199C22.1Very low24.8Very low101 Ų101114.6 Ų114.668%0.68273%0.727SS**SBendtrans-92.5104.9158.8-62.80000106.7S197 S201S197-C199 VanDerWaalsContact C-N 3.25Å; S197-C199 PolarHBondContact O-N 3.47Å; C199-S201 VanDerWaalsContact C-N 3.35Å; C199-S201 PolarHBondContact O-N 2.6Å
200P24.8Very low25.1Very low112 Ų112113.2 Ų113.273%0.72772%0.723SS**  trans-57.1107170.522.8-30.5000107.2A198 V202A198-P200 VanDerWaalsContact O-CD 3.29Å; A198-P200 WeakPolarHBondContact O-CD 3.01Å; P200-V202 VanDerWaalsContact C-N 3.35Å; P200-V202 PolarHBondContact O-N 2.81Å
201S24.7Very low25.1Very low100 Ų100113.4 Ų113.470%0.69972%0.724SS**  trans-38.2111.3145.21620000105.4C199 A203C199-S201 VanDerWaalsContact C-N 3.35Å; C199-S201 PolarHBondContact O-N 2.6Å; S201-A203 PolarHBondContact O-N 2.53Å
202V26.5Very low25.4Very low143 Ų143113.2 Ų113.287%0.86772%0.717SS**  trans-62.986.9168.3175.50000103.9P200 A204P200-V202 VanDerWaalsContact C-N 3.35Å; P200-V202 PolarHBondContact O-N 2.81Å; V202-A204 PolarHBondContact O-N 2.92Å; V202-A204 VanDerWaalsContact O-N 3.13Å
203A25.4Very low25.7Very low73 Ų73109.8 Ų109.860%0.60369%0.689SS**  trans-57.9122.2-171.500000107S201 Y205S201-A203 PolarHBondContact O-N 2.53Å; A203-Y205 PolarHBondContact O-N 3.35Å; A203-Y205 VanDerWaalsContact O-N 3.16Å
204A25Very low25.6Very low90 Ų90107.6 Ų107.674%0.74469%0.685SS**  trans6.4104.2131.600000111.7V202 G206V202-A204 PolarHBondContact O-N 2.92Å; V202-A204 VanDerWaalsContact O-N 3.13Å; A204-G206 PolarHBondContact O-N 2.9Å
205Y26.5Very low25.9Very low244 Ų244106.9 Ų106.996%0.95769%0.686SS**SBendtrans-26110.6168.7-80.9-97.2000112.4A203A203-Y205 PolarHBondContact O-N 3.35Å; A203-Y205 VanDerWaalsContact O-N 3.16Å
206G24.7Very low26Very low67 Ų67102.3 Ų102.369%0.69168%0.679SS**  trans79.878.515200000117.1A204A204-G206 PolarHBondContact O-N 2.9Å
207H24.2Very low26.1Very low188 Ų18899 Ų9987%0.8766%0.664SS**  trans-156.792.3138.5-125.9-83.3000109.8
208L26.4Very low26.3Very low126 Ų126100.5 Ų100.566%0.6667%0.668SS**  trans-69.4138.3168.4-84.8109000109.6A210L208-A210 PolarHBondContact O-N 2.69Å
209P27.4Very low26.4Very low94 Ų9499.1 Ų99.161%0.6166%0.657SS**  trans-64.5126.9175.523-29.9000111.1A211 A212 A213P209-A211 PolarHBondContact O-N 3.48Å; P209-A212 PolarHBondContact O-N 2.9Å; P209-A213 PolarHBondContact O-N 2.96Å
210A31.2Very low26.6Very low85 Ų85101.7 Ų101.770%0.70266%0.664SS**THydrogen-bonded Turntrans-63.7-9.7-165.900000116.3L208L208-A210 PolarHBondContact O-N 2.69Å
211A27.4Very low26.5Very low100 Ų10098.9 Ų98.983%0.82666%0.655SS**THydrogen-bonded Turntrans-91.3-14.4173.900000113.6P209P209-A211 PolarHBondContact O-N 3.48Å
212A30.2Very low26.5Very low54 Ų54105.4 Ų105.445%0.44667%0.666SS.*THydrogen-bonded Turntrans-92.7-12.8165.600000112.1P209 A214 A216P209-A212 PolarHBondContact O-N 2.9Å; A212-A214 VanDerWaalsContact C-N 3.31Å; A212-A216 VanDerWaalsContact O-CB 3.22Å; A212-A216 WeakPolarHBondContact O-CB 3.28Å; A212-A216 PolarHBondContact O-N 3.02Å
213A28.9Very low26.3Very low23 Ų23101.8 Ų101.819%0.1966%0.657CS.*THydrogen-bonded Turntrans-85.24.8172.400000114P209 V217 A219P209-A213 PolarHBondContact O-N 2.96Å; A213-V217 CarbonylContact C-O 2.84Å; A213-V217 CarbonylContact O-C 3.37Å; A213-V217 WeakPolarHBondContact O-CA 3.23Å; A213-V217 VanDerWaalsContact O-CB 3.27Å; A213-V217 WeakPolarHBondContact O-CB 3.29Å; A213-V217 PolarHBondContact O-N 3.13Å; A213-A219 WeakPolarHBondContact O-CA 3.03Å; A213-A219 WeakPolarHBondContact O-CB 3.38Å; A213-A219 PolarHBondContact O-N 3.05Å
214A25.1Very low26.3Very low58 Ų58106.3 Ų106.348%0.47967%0.672SS.*THydrogen-bonded Turntrans-96.1-3.8169.400000113.1A212 V217 A219A212-A214 VanDerWaalsContact C-N 3.31Å; A214-V217 CarbonylContact C-O 2.89Å; A214-V217 WeakPolarHBondContact CA-O 3.47Å; A214-A219 HydrophobicContact CB-CB 3.98Å
215A28.8Very low26.2Very low100 Ų100110.2 Ų110.283%0.82667%0.674SS**THydrogen-bonded Turntrans-117.8-14.3158.700000112.9V217A215-V217 PolarHBondContact N-O 3.16Å
216A26.5Very low26Very low69 Ų69102 Ų10257%0.5766%0.658SS**SBendtrans-104.27.416900000114.6A212A212-A216 VanDerWaalsContact O-CB 3.22Å; A212-A216 WeakPolarHBondContact O-CB 3.28Å; A212-A216 PolarHBondContact O-N 3.02Å
217V25.7Very low25.9Very low71 Ų71106.7 Ų106.743%0.4366%0.661SS.*SBendtrans-143.6157.8139.9-173.80000100.7A213 A214 A215 A219A213-V217 CarbonylContact C-O 2.84Å; A213-V217 CarbonylContact O-C 3.37Å; A213-V217 WeakPolarHBondContact O-CA 3.23Å; A213-V217 VanDerWaalsContact O-CB 3.27Å; A213-V217 WeakPolarHBondContact O-CB 3.29Å; A213-V217 PolarHBondContact O-N 3.13Å; A214-V217 CarbonylContact C-O 2.89Å; A214-V217 WeakPolarHBondContact CA-O 3.47Å; A215-V217 PolarHBondContact N-O 3.16Å; V217-A219 PolarHBondContact O-N 3.48Å
218T26.8Very low25.9Very low141 Ų141105.5 Ų105.587%0.86566%0.656SS**SBendtrans-69.380.9142.3-61.50000104.1N220T218-N220 PolarHBondContact O-N 3Å
219A26.5Very low25.9Very low43 Ų43105.2 Ų105.236%0.35566%0.664SS.*SBendtrans-13.3106.7-169.600000115.9A213 A214 V217A213-A219 WeakPolarHBondContact O-CA 3.03Å; A213-A219 WeakPolarHBondContact O-CB 3.38Å; A213-A219 PolarHBondContact O-N 3.05Å; A214-A219 HydrophobicContact CB-CB 3.98Å; V217-A219 PolarHBondContact O-N 3.48Å
220N27Very low25.7Very low155 Ų155105.3 Ų105.383%0.82967%0.667SS**  trans80.871.6164-56.2-62.2000117.2T218T218-N220 PolarHBondContact O-N 3Å
221G21.7Very low25.2Very low52 Ų52107.6 Ų107.654%0.53667%0.665SS.*  trans-99.993.3153.700000110.9
222Y23.8Very low25.2Very low238 Ų238107.3 Ų107.393%0.93365%0.649SS**SBendtrans65120.8162.7-51.4-85.4000116.8
223G23.7Very low24.9Very low66 Ų66112.7 Ų112.768%0.6866%0.663SS**  cis167.591.39.800000104.5Q225G223-Q225 PolarHBondContact O-N 3.4Å
224N25.2Very low24.8Very low169 Ų169116.1 Ų116.190%0.90469%0.691SS**  trans-76.581.6173.5-148.5-21.8000106.5A226N224-A226 PolarHBondContact O-N 3.45Å
225Q22Very low25.1Very low171 Ų171118 Ų11880%0.79970%0.7SS**  trans-59.793.6160.5-90.1176.6-7200106.6G223 H227G223-Q225 PolarHBondContact O-N 3.4Å; Q225-H227 PolarHBondContact O-N 3Å
226A23.9Very low25.4Very low73 Ų73119.5 Ų119.560%0.60370%0.702SS**  trans-43.7134.314900000108.1N224N224-A226 PolarHBondContact O-N 3.45Å
227H22.1Very low25.3Very low164 Ų164118.9 Ų118.976%0.75970%0.702SS**  trans94.781.7173.7-55.2-158.2000115.2Q225Q225-H227 PolarHBondContact O-N 3Å
228Q24Very low25.3Very low163 Ų163122.5 Ų122.576%0.76272%0.724SS**  trans-119.174.2141.9-67.7-68.4-26.600107.5S230Q228-S230 PolarHBondContact O-N 3.42Å
229S25.1Very low25.3Very low121 Ų121120.9 Ų120.985%0.84673%0.725SS**  trans-71.977.2158.9-60.50000107.9
230S24.9Very low25.5Very low95 Ų95123.8 Ų123.866%0.66475%0.749SS**  trans-10797.1163.448.40000108.5Q228Q228-S230 PolarHBondContact O-N 3.42Å
231M20.6Very low25.5Very low134 Ų134125 Ų12566%0.6675%0.75SS**  trans-58.8151.9156.1-75.4-173.2-82.800109.5C263M231-C263 HydrophobicContact SD-CB 4.09Å
232L25.9Very low25.8Very low93 Ų93127.7 Ų127.749%0.48776%0.76SS.*SBendtrans88.5109.1160.1-63.9135.3000118.1C263L232-C263 WeakPolarHBondContact CD2-O 3.35Å; L232-C263 HydrophobicContact CG-CB 4.43Å
233F25.1Very low26Very low168 Ų168118.4 Ų118.474%0.73773%0.728SS**  trans53.961.5144.5-57.4-68.5000118.7
234A25.7Very low26.2Very low94 Ų94120 Ų12078%0.77773%0.727SS**  trans-117.2105.9145.600000108
235S32.3Very low26.4Very low97 Ų97118 Ų11868%0.67872%0.721SS**  trans-56.9157.5138.9-135.30000106.3G237S235-G237 PolarHBondContact OG-N 2.93Å
236P34.6Very low26.7Very low133 Ų133115 Ų11586%0.86471%0.706SS**SBend-143.794.660.923.42.1000113.5
237G25.7Very low26.9Very low56 Ų56117.8 Ų117.858%0.57771%0.711SS**SBendtrans131.635.4155.700000118.6S235S235-G237 PolarHBondContact OG-N 2.93Å
238V24.4Very low27.1Very low147 Ų147116.8 Ų116.889%0.89171%0.708SS**  trans37.592.4161.8-89.70000117.8
239A26.9Very low27.4Very low106 Ų106111.9 Ų111.988%0.87670%0.701SS**PPolyproline II helixtrans-80127.4163.400000110.9
240A31Very low27.8Very low105 Ų105114 Ų11487%0.86870%0.702SS**PPolyproline II helixtrans-64.2127.9-178.300000112.6
241Q27.4Very low28Very low180 Ų180112.8 Ų112.884%0.84170%0.704SS**PPolyproline II helixtrans-97.8117.1165.2-163.3167.89.300108.9
242S28Very low28.5Very low109 Ų109109.8 Ų109.876%0.76271%0.708SS**PPolyproline II helixtrans-60.1139.2179.143.60000112.6
243V26.6Very low28.6Very low43 Ų43112.9 Ų112.926%0.26172%0.715SS.*PPolyproline II helixtrans-98.2122.2177.5-150.10000109.2S97 T245 Y256S97-V243 WeakPolarHBondContact OG-CG1 3.3Å; V243-T245 PolarHBondContact O-N 2.83Å; V243-Y256 HydrophobicContact CB-CD1 4.48Å; V243-Y256 HydrophobicContact CG2-CD1 4.06Å
244P28.1Very low29Very low99 Ų99109.4 Ų109.464%0.64371%0.709SS**PPolyproline II helixtrans-75.4120.2-178.728.1-32.2000111A95 Q246A95-P244 WeakPolarHBondContact CB-O 3.41Å; P244-Q246 PolarHBondContact O-N 3.02Å
245T30.3Very low29.5Very low127 Ų127107.7 Ų107.778%0.77969%0.69SS**  trans-46.8107.1161.7-40000108.8V243V243-T245 PolarHBondContact O-N 2.83Å
246Q27.5Very low29.5Very low107 Ų107111.3 Ų111.350%0.569%0.69SS.*  trans-72.2132179.3-76.4168.8-6.200107.1S94 A95 P244S94-Q246 VanDerWaalsContact C-CB 3.49Å; S94-Q246 VanDerWaalsContact CB-O 3.29Å; S94-Q246 WeakPolarHBondContact CB-O 3.41Å; S94-Q246 PolarHBondContact O-N 3.43Å; A95-Q246 HydrophobicContact CB-CB 4.36Å; A95-Q246 HydrophobicContact CB-CG 4.24Å; P244-Q246 PolarHBondContact O-N 3.02Å
247L27.7Very low29.4Very low133 Ų133105.9 Ų105.970%0.69666%0.656SS**  trans-84123.8169.8-175.366.7000107.3
248M27.1Very low29.6Very low143 Ų143109.5 Ų109.570%0.70465%0.652SS**SBendtrans61.9108.8157.5-67.4-163.1-86.600119.1
249G31.5Very low30Very low59 Ų59106.3 Ų106.361%0.60863%0.63SS**  102.610.6112.500000119.3
250L33.3Very low30.1Very low166 Ų166105.6 Ų105.687%0.86962%0.618SS**SBendtrans-134.5103.8171.4-72167.2000111.1
251G29.4Very low29.9Very low69 Ų69110.7 Ų110.771%0.71162%0.615SS**  trans58.482.6150.600000118.2Y253G251-Y253 PolarHBondContact O-N 3.2Å; G251-Y253 VanDerWaalsContact O-N 3.17Å
252G29.6Very low29.9Very low72 Ų72106.1 Ų106.174%0.74260%0.603SS**  55.245.912600000120.3
253Y28.5Very low29.9Very low158 Ų158103.9 Ų103.962%0.6259%0.587SS**  trans-123.9132.8160.4-78.8-65.9000113S96 Y98 G251S96-Y253 VanDerWaalsContact CB-CB 3.46Å; S96-Y253 WeakPolarHBondContact CB-O 3.36Å; Y98-Y253 AromaticContact CZ-CD1 3.97Å; Y98-Y253 WeakPolarHBondContact OH-CD1 3.08Å; Y98-Y253 WeakPolarHBondContact OH-CE1 3.2Å; Y98-Y253 VanDerWaalsContact OH-CG 3.23Å; Y98-Y253 VanDerWaalsContact OH-CZ 3.3Å; G251-Y253 PolarHBondContact O-N 3.2Å; G251-Y253 VanDerWaalsContact O-N 3.17Å
254P32.9Very low30.2Very low94 Ų94114.5 Ų114.561%0.6163%0.629SS**  trans-79.5131.8-169.830.9-33.6000112.3S96S96-P254 WeakPolarHBondContact CB-O 3.33Å; S96-P254 PolarHBondContact OG-O 3.43Å
255P36.2Very low30.3Very low59 Ų59115.3 Ų115.338%0.38363%0.629SS.*SBendtrans-60.6154.1-166.729-35.2000112.8A95A95-P255 HydrophobicContact CB-CB 3.9Å; A95-P255 CarbonylContact O-C 3.54Å; A95-P255 WeakPolarHBondContact O-CA 3.28Å; A95-P255 WeakPolarHBondContact O-CB 3.04Å
256Y33.3Very low30.3Very low173 Ų173114.7 Ų114.768%0.67862%0.621SS**  trans80.190.1178.9-33.7-67.9000117A95 V243A95-Y256 PolarHBondContact O-N 2.79Å; V243-Y256 HydrophobicContact CB-CD1 4.48Å; V243-Y256 HydrophobicContact CG2-CD1 4.06Å
257A32.3Very low30.4Very low19 Ų19115.1 Ų115.116%0.15763%0.627CS.*  trans-145.6145136.400000106.3S97 Y98S97-A257 CarbonylContact C-O 3.55Å; S97-A257 WeakPolarHBondContact CA-O 3.39Å; S97-A257 WeakPolarHBondContact CB-O 3.29Å; S97-A257 CarbonylContact O-C 3.59Å; S97-A257 VanDerWaalsContact O-C 3.27Å; S97-A257 WeakPolarHBondContact O-CA 2.78Å; S97-A257 WeakPolarHBondContact O-CB 3.29Å; S97-A257 PolarHBondContact O-N 2.92Å; S97-A257 PolarHBondContact OG-O 3.45Å; Y98-A257 CarbonylContact C-O 2.79Å; Y98-A257 PolarHBondContact N-O 2.92Å; Y98-A257 CarbonylContact O-C 2.69Å
258W30.7Very low30.6Very low131 Ų131114.1 Ų114.150%0.49662%0.623SS.*  trans-124.2104.8-163.232.7-85.3000106.3Y98 T99 S260Y98-W258 CarbonylContact O-C 3.27Å; Y98-W258 WeakPolarHBondContact O-CA 3.32Å; Y98-W258 PolarHBondContact O-N 3.22Å; T99-W258 VanDerWaalsContact CB-C 3.48Å; T99-W258 WeakPolarHBondContact CB-O 2.89Å; T99-W258 CarbonylContact O-C 3.39Å; T99-W258 PolarHBondContact O-N 2.84Å; T99-W258 VanDerWaalsContact O-O 3.05Å; T99-W258 PolarHBondContact OG1-O 3.35Å; W258-S260 PolarHBondContact O-N 2.88Å
259I32.5Very low30.8Very low81 Ų81112.3 Ų112.342%0.41562%0.618SS.*  trans-79.580.5-177.5-76.9138000105.6Y98 T99 R261Y98-I259 VanDerWaalsContact CB-CD1 3.41Å; Y98-I259 VanDerWaalsContact O-CA 3.3Å; Y98-I259 WeakPolarHBondContact O-CA 3.22Å; Y98-I259 WeakPolarHBondContact O-CB 3.34Å; Y98-I259 WeakPolarHBondContact O-CD1 3.27Å; Y98-I259 WeakPolarHBondContact O-CG1 3.04Å; Y98-I259 PolarHBondContact O-N 2.99Å; T99-I259 VanDerWaalsContact CG2-CA 3.47Å; T99-I259 HydrophobicContact CG2-CB 3.49Å; T99-I259 VanDerWaalsContact CG2-CB 3.49Å; T99-I259 HydrophobicContact CG2-CD1 4.38Å; T99-I259 HydrophobicContact CG2-CG1 2.99Å; T99-I259 HydrophobicContact CG2-CG2 3.75Å; T99-I259 WeakPolarHBondContact OG1-CA 3.36Å; I259-R261 VanDerWaalsContact C-N 3.3Å; I259-R261 HydrophobicContact CG2-CB 4.12Å; I259-R261 HydrophobicContact CG2-CG 3.35Å; I259-R261 VanDerWaalsContact CG2-NE 3.32Å; I259-R261 PolarHBondContact O-N 3.35Å
260S27.4Very low30.7Very low90 Ų90115.8 Ų115.863%0.62962%0.619SS**  trans-64.794.5158-67.10000108W258W258-S260 PolarHBondContact O-N 2.88Å
261R26.8Very low30.6Very low212 Ų212112.2 Ų112.280%0.860%0.601SS**  trans-109.1114.2168.6-85.9168.8179.6-134.2-1.9108.4I259I259-R261 VanDerWaalsContact C-N 3.3Å; I259-R261 HydrophobicContact CG2-CB 4.12Å; I259-R261 HydrophobicContact CG2-CG 3.35Å; I259-R261 VanDerWaalsContact CG2-NE 3.32Å; I259-R261 PolarHBondContact O-N 3.35Å
262S29Very low30.7Very low84 Ų84115.5 Ų115.559%0.58759%0.592SS**  trans-135.193.5165.3-53.90000106.1
263C26.9Very low30.7Very low63 Ų63119.2 Ų119.243%0.42658%0.58SS.*  92.4111.392.9-73.50000111.7M231 L232M231-C263 HydrophobicContact SD-CB 4.09Å; L232-C263 WeakPolarHBondContact CD2-O 3.35Å; L232-C263 HydrophobicContact CG-CB 4.43Å
264K32.6Very low31Very low266 Ų266115.6 Ų115.6100%1.15758%0.576SS**  trans40.10162.2-101.9169.9176.5164.80120.4

Retrieved 264 of 264 residues in 515 ms (Link to these results)