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Neurogenic differentiation factor 6

Activates E box-dependent transcription in collaboration with TCF3/E47. May be a trans-acting factor involved in the development and maintenance of the mammalian nervous system. Transactivates the promoter of its own gene (By similarity).

AlphaFold DB , UniProt , Accession Q96NK8, Species HUMAN (Homo sapiens, Human), Gene NEUROD6, Length 337 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
1M48.3Very low51.5Low228 Ų228148.8 Ų148.8100%1.12381%0.805SS**  0113.90-78.6-76.5-136.800107.5
2L51.8Low52Low153 Ų153149.3 Ų149.380%0.80180%0.801SS**  trans55.9109.2158.8-50.9173.1000117.3
3T48.8Very low51.3Low116 Ų116145.6 Ų145.671%0.71279%0.79SS**  cis53.4129.446.672.50000113.7
4L57.2Low50.6Low160 Ų160148.3 Ų148.384%0.83880%0.795SS**  cis-158.3175.41.7-105.1165.2000107.6
5P54.5Low50.2Low110 Ų110146.3 Ų146.371%0.71480%0.797SS**  trans-87.7172.7-169.437.7-37.9000114.5
6F55.2Low49.6Very low211 Ų211149.8 Ų149.893%0.92581%0.806SS**  trans-118.9141.1166.8-121.3-94.9000111.2
7D47.6Very low49.1Very low141 Ų141151.4 Ų151.475%0.75481%0.81SS**  trans-95.3134.5175-168.4-39.8000108.1
8E54.4Low48.6Very low178 Ų178148.4 Ų148.483%0.83280%0.802SS**  trans-140.3118165.6-162.6170.8157.200111.2V10E8-V10 PolarHBondContact O-N 3.32Å
9S47Very low48.1Very low98 Ų98153.9 Ų153.969%0.68581%0.81SS**  trans-75116.4-176.255.20000112.4
10V52.7Low47.7Very low120 Ų120155.8 Ų155.873%0.72781%0.811SS**  trans-106.3107.4164.11780000109.8E8 M12E8-V10 PolarHBondContact O-N 3.32Å; V10-M12 HydrophobicContact CG1-CE 4.1Å; V10-M12 PolarHBondContact O-N 3.49Å
11V48.7Very low47.3Very low122 Ų122157.6 Ų157.674%0.73981%0.813SS**  trans-74.4119.8176178.30000109.5
12M57.2Low46.6Very low155 Ų155152.7 Ų152.776%0.76480%0.801SS**  trans-108.7115.9171.1-74.3-77.796.300110.5V10V10-M12 HydrophobicContact CG1-CE 4.1Å; V10-M12 PolarHBondContact O-N 3.49Å
13P42.9Very low46Very low101 Ų101156 Ų15666%0.65680%0.803SS**  trans-80.6174.216235.1-32.1000110.9
14E41.8Very low45.7Very low183 Ų183158.6 Ų158.686%0.85581%0.807SS**  trans74.1100.4169.6-50.2-163.1148.200119
15S44.6Very low44.8Very low119 Ų119156.9 Ų156.983%0.83281%0.807SS**  -163.598.7120.1-87.50000110.9M17S15-M17 VanDerWaalsContact C-N 3.32Å; S15-M17 PolarHBondContact O-N 2.81Å
16Q40.9Very low44.1Very low201 Ų201159.5 Ų159.594%0.93981%0.809SS**  trans-77.474.7179.8-174.2-174.486.200110.7
17M40.7Very low43.8Very low177 Ų177157 Ų15787%0.87281%0.806SS**  trans-140.3142.1179.7-141.455.6153.600112.8S15S15-M17 VanDerWaalsContact C-N 3.32Å; S15-M17 PolarHBondContact O-N 2.81Å
18C39.7Very low43.4Very low99 Ų99157.4 Ų157.467%0.66980%0.803SS**  trans77.954179.1-139.10000118.4
19R39.6Very low43.1Very low252 Ų252158 Ų15895%0.95180%0.803SS**  trans-109.647.6155.2-82.5-168178.2176.51.2112.6
20K40.8Very low42.7Very low192 Ų192161.6 Ų161.684%0.83581%0.809SS**  trans-14887.7174.1-69.6-169-179.3176.70113.1
21F38.1Very low42.3Very low194 Ų194162.9 Ų162.985%0.85181%0.81SS**  trans-132.255.2158.9-80.6-68.1000111.1
22S34.4Very low41.9Very low124 Ų124166.4 Ų166.487%0.86782%0.816SS**  trans-97.5104.4153.5-74.70000108
23R40.4Very low41.2Very low223 Ų223168.1 Ų168.184%0.84282%0.819SS**  trans-158.5100.2157.9-124.8173.9-175.5171.65.1111.4
24E40.6Very low41.1Very low170 Ų170169.1 Ų169.179%0.79483%0.825SS**  42.7105.9128.7-61.4165.6147.800117.4
25C38.8Very low40.8Very low124 Ų124169.7 Ų169.784%0.83883%0.828SS**  trans-146.484.7142.7-161.90000107.4
26E40.8Very low40.8Very low165 Ų165169.4 Ų169.477%0.77183%0.826SS**  trans-67.4134.4163.2-68.5-161119.200108.6
27D49.1Very low40.6Very low158 Ų158168.7 Ų168.785%0.84582%0.82SS**  trans-140.9111.6161-140.4-18.4000108.4K29D27-K29 PolarHBondContact O-N 3.35Å
28Q39.5Very low40.6Very low150 Ų150166.1 Ų166.170%0.70182%0.819SS**  trans-81.2115.4-165.1-66.2173.38.500111
29K48Very low41Very low192 Ų192170.1 Ų170.184%0.83583%0.825SS**  trans-126.291.3157.2-78.4-167.7175179.70111.8D27 I31D27-K29 PolarHBondContact O-N 3.35Å; K29-I31 PolarHBondContact O-N 3.14Å
30Q38Very low40.9Very low172 Ų172166.3 Ų166.380%0.80482%0.819SS**  trans-49.7103.9161.9-71.3-88.37.900110.4
31I44.5Very low41Very low147 Ų147164.2 Ų164.275%0.75482%0.815SS**  trans-114.297.8164.2-63.3179.7000107.1K29 K33K29-I31 PolarHBondContact O-N 3.14Å; I31-K33 PolarHBondContact O-N 3.21Å
32K39.2Very low40.9Very low197 Ų197160.4 Ų160.486%0.85781%0.807SS**  trans-58.4119.2170.5-68.7178.3175.9-179.90108.7
33K42.3Very low41.7Very low190 Ų190161.9 Ų161.983%0.82681%0.805SS**  trans-112.1133.2164-118.8-176.3176.8-177.70108I31I31-K33 PolarHBondContact O-N 3.21Å
34P41.9Very low41.6Very low123 Ų123162.9 Ų162.980%0.79981%0.808SS**  trans-70.3150.4-173.729-34.9000111.7
35E35.3Very low41.5Very low195 Ų195158.1 Ų158.191%0.91181%0.805SS**  trans-63.5140.9178.3-58.6173.4130.800111.4
36S44.8Very low41.9Very low112 Ų112162 Ų16278%0.78381%0.808SS**  trans-128.880.7170.166.80000110.9S38S36-S38 PolarHBondContact O-N 2.88Å
37F36.3Very low41.8Very low186 Ų186159.6 Ų159.682%0.81681%0.809SS**  trans32.282.4151.1-100.8-95.7000117.6K39F37-K39 PolarHBondContact O-N 3.09Å
38S39.8Very low41.6Very low123 Ų123160 Ų16086%0.8681%0.81SS**  trans-71.4104.1154.2-72.60000109S36 Q40S36-S38 PolarHBondContact O-N 2.88Å; S38-Q40 PolarHBondContact O-N 3.23Å; S38-Q40 VanDerWaalsContact O-N 3.14Å
39K49.4Very low41.7Very low183 Ų183161.3 Ų161.380%0.79681%0.813SS**  trans-66.9113.9173.7-77-171.5176.6-1760110.2F37 I41F37-K39 PolarHBondContact O-N 3.09Å; K39-I41 PolarHBondContact O-N 3.35Å
40Q36.9Very low41.4Very low173 Ų173163.9 Ų163.981%0.80882%0.817SS**  trans-60114175.1-179.9178.718.300111.2S38 V42S38-Q40 PolarHBondContact O-N 3.23Å; S38-Q40 VanDerWaalsContact O-N 3.14Å; Q40-V42 HydrophobicContact CG-CG2 3.84Å
41I43.1Very low41.3Very low148 Ų148159.4 Ų159.476%0.75981%0.81SS**  trans-115.8107.7160.7-64.4179.5000107.2K39 L43K39-I41 PolarHBondContact O-N 3.35Å; I41-L43 HydrophobicContact CG2-CD1 4.39Å; I41-L43 HydrophobicContact CG2-CG 4.34Å; I41-L43 PolarHBondContact O-N 3.44Å
42V35.6Very low41.5Very low114 Ų114158 Ų15869%0.69181%0.811SS**  trans-81.998.7179177.40000109.1Q40Q40-V42 HydrophobicContact CG-CG2 3.84Å
43L50.5Low42Very low154 Ų154150.7 Ų150.781%0.80679%0.791SS**  trans-131.479.4166.2-76178.5000111.8I41 G45I41-L43 HydrophobicContact CG2-CD1 4.39Å; I41-L43 HydrophobicContact CG2-CG 4.34Å; I41-L43 PolarHBondContact O-N 3.44Å; L43-G45 PolarHBondContact O-N 2.85Å
44R39.8Very low42.3Very low244 Ų244149.4 Ų149.492%0.92179%0.788SS**  trans21.284.3140.5-160.7173-169.8-103.34.7117.6
45G37.8Very low42.5Very low71 Ų71150.6 Ų150.673%0.73278%0.783SS**  trans44.7101.5143.700000119.8L43L43-G45 PolarHBondContact O-N 2.85Å
46K47.9Very low43.3Very low206 Ų206144.1 Ų144.190%0.89676%0.757SS**  trans-149.9153.4146.5-113.2164.3-177.1177.30110.8I48K46-I48 PolarHBondContact O-N 2.97Å
47S37.2Very low43.6Very low113 Ų113144.4 Ų144.479%0.7975%0.745SS**  trans-61.6120-165.7-155.70000113.3K49S47-K49 PolarHBondContact O-N 3.02Å; S47-K49 VanDerWaalsContact O-N 3.12Å
48I45.8Very low44.4Very low168 Ų168143.2 Ų143.286%0.86274%0.74SS**  trans-80.693.1174.1-58.9176000108.8K46K46-I48 PolarHBondContact O-N 2.97Å
49K42.4Very low44.9Very low177 Ų177143.4 Ų143.477%0.7773%0.727SS**  trans-140.2139.4161.4-76.9-170176.7-177.10109.4S47S47-K49 PolarHBondContact O-N 3.02Å; S47-K49 VanDerWaalsContact O-N 3.12Å
50R40.2Very low45Very low246 Ų246138 Ų13893%0.92871%0.705SS**SBendtrans92.4151.3175.7-55.7178.1-69.8-164.96.7115.2
51A37.4Very low45.6Very low78 Ų78135.4 Ų135.465%0.64569%0.693SS**  trans-92.4139.8-159.600000112.2G53A51-G53 PolarHBondContact O-N 3.22Å
52P47.8Very low45.9Very low118 Ų118134.4 Ų134.477%0.76669%0.685SS**THydrogen-bonded Turntrans-84.732-177.837.3-37.8000113
53G50.4Low46.6Very low43 Ų43135.4 Ų135.444%0.44368%0.682SS.*THydrogen-bonded Turntrans-95.6-38.4-171.600000114.9A51A51-G53 PolarHBondContact O-N 3.22Å
54E48.4Very low46.6Very low163 Ų163133.3 Ų133.376%0.76267%0.671SS**SBendtrans-101.8-25.7-167.1-64.8174.3176.600113.6E57E54-E57 PolarHBondContact O-N 3.45Å
55E45.1Very low47.2Very low148 Ų148129.7 Ų129.769%0.69266%0.658SS**Hα-helixtrans-70.2-34.2-178.9-65.6178.6170.800111.5E57 K58E55-E57 VanDerWaalsContact C-N 3.31Å; E55-E57 PolarHBondContact O-N 2.91Å; E55-K58 PolarHBondContact O-N 3.3Å
56T51.7Low47.8Very low59 Ų59134 Ų13436%0.36266%0.659SS.*Hα-helixtrans-82.1-0.1-179.456.20000114.8R91T56-R91 PolarHBondContact O-NH1 3.02Å; T56-R91 PolarHBondContact O-NH2 2.98Å
57E53Low47.7Very low118 Ų118130.8 Ų130.855%0.55165%0.647SS**Hα-helixtrans-90.3-30.8170.7-62.4-162.9145.900111.7E54 E55 E61E54-E57 PolarHBondContact O-N 3.45Å; E55-E57 VanDerWaalsContact C-N 3.31Å; E55-E57 PolarHBondContact O-N 2.91Å; E57-E61 PolarHBondContact O-N 2.7Å
58K51.8Low48.1Very low160 Ų160134.2 Ų134.270%0.69665%0.651SS**Hα-helixtrans-72.3-42.1177.6-65.8-175.6178.5-178.80112.9E55 E60 E61 E62E55-K58 PolarHBondContact O-N 3.3Å; K58-E60 VanDerWaalsContact C-N 3.3Å; K58-E60 PolarHBondContact O-N 2.72Å; K58-E61 PolarHBondContact O-N 3.32Å; K58-E62 PolarHBondContact O-N 3.49Å
59E51.9Low48.4Very low128 Ų128129.1 Ų129.160%0.59863%0.625SS**Hα-helixtrans-62.9-32.2178.8-65177.7161.300112.9E62 E63E59-E62 PolarHBondContact O-N 3.4Å; E59-E63 PolarHBondContact O-N 3.29Å; E59-E63 VanDerWaalsContact O-N 3.12Å
60E49.9Very low49.2Very low68 Ų68130.2 Ų130.232%0.31863%0.633SS.*Hα-helixtrans-79.6-22.8176.9-80.8-16717400113.5K58 E62 D64 R91K58-E60 VanDerWaalsContact C-N 3.3Å; K58-E60 PolarHBondContact O-N 2.72Å; E60-E62 VanDerWaalsContact C-N 3.3Å; E60-D64 PolarHBondContact O-N 2.92Å; E60-R91 VanDerWaalsContact CD-NH1 3.28Å; E60-R91 IonicContact OE1-CZ 2.63Å; E60-R91 IonicContact OE1-NE 3.3Å; E60-R91 PolarHBondContact OE1-NE 3.5Å; E60-R91 IonicContact OE1-NH1 3.8Å; E60-R91 IonicContact OE1-NH2 2.79Å; E60-R91 PolarHBondContact OE1-NH2 3.4Å; E60-R91 VanDerWaalsContact OE1-NH2 3.11Å; E60-R91 WeakPolarHBondContact OE2-CD 3.49Å; E60-R91 IonicContact OE2-CZ 3.96Å; E60-R91 IonicContact OE2-NE 3.98Å; E60-R91 PolarHBondContact OE2-NE 3.35Å; E60-R91 VanDerWaalsContact OE2-NE 3.1Å; E60-R91 IonicContact OE2-NH1 2.88Å; E60-R91 PolarHBondContact OE2-NH1 3.14Å; E60-R91 IonicContact OE2-NH2 3.04Å
61E49.1Very low49.8Very low119 Ų119124.3 Ų124.356%0.55662%0.62SS**Hα-helixtrans-73.2-23.2169.6-76.9-162.4177.500112.6E57 K58 R65E57-E61 PolarHBondContact O-N 2.7Å; K58-E61 PolarHBondContact O-N 3.32Å; E61-R65 WeakPolarHBondContact O-CB 3.41Å; E61-R65 WeakPolarHBondContact O-CD 3.5Å; E61-R65 WeakPolarHBondContact O-CG 3.4Å; E61-R65 PolarHBondContact O-NE 2.91Å; E61-R65 IonicContact OE2-CZ 3.11Å; E61-R65 IonicContact OE2-NH2 2.81Å; E61-R65 PolarHBondContact OE2-NH2 3.31Å
62E49.5Very low50.5Low127 Ų127124.1 Ų124.159%0.59363%0.625SS**Hα-helixtrans-79-45.6170.2-67.8-179.6159.200110.4K58 E59 E60 D64 R65 E66K58-E62 PolarHBondContact O-N 3.49Å; E59-E62 PolarHBondContact O-N 3.4Å; E60-E62 VanDerWaalsContact C-N 3.3Å; E62-D64 PolarHBondContact O-N 3.48Å; E62-R65 WeakPolarHBondContact O-CA 3.24Å; E62-R65 WeakPolarHBondContact O-CB 3.27Å; E62-R65 PolarHBondContact O-N 3.44Å; E62-E66 PolarHBondContact O-N 3.4Å
63E50.7Low51Low136 Ų136124.8 Ų124.864%0.63662%0.622SS**Hα-helixtrans-66-31.9-175.9-152.2-174.9-144.100114.7E59E59-E63 PolarHBondContact O-N 3.29Å; E59-E63 VanDerWaalsContact O-N 3.12Å
64D50.9Low51.1Low109 Ų109128.2 Ų128.258%0.58364%0.636SS**THydrogen-bonded Turntrans-86.7-0.3172.1-110.1-14.6000112.5E60 E62 K82E60-D64 PolarHBondContact O-N 2.92Å; E62-D64 PolarHBondContact O-N 3.48Å; D64-K82 IonicContact OD1-NZ 2.66Å; D64-K82 PolarHBondContact OD1-NZ 3.39Å
65R52.5Low51.5Low169 Ų169128.6 Ų128.664%0.63863%0.631SS**THydrogen-bonded Turntrans-96-21.6172.1-77.7177.1-142.6-143.57.6114.1E61 E62 E67E61-R65 WeakPolarHBondContact O-CB 3.41Å; E61-R65 WeakPolarHBondContact O-CD 3.5Å; E61-R65 WeakPolarHBondContact O-CG 3.4Å; E61-R65 PolarHBondContact O-NE 2.91Å; E61-R65 IonicContact OE2-CZ 3.11Å; E61-R65 IonicContact OE2-NH2 2.81Å; E61-R65 PolarHBondContact OE2-NH2 3.31Å; E62-R65 WeakPolarHBondContact O-CA 3.24Å; E62-R65 WeakPolarHBondContact O-CB 3.27Å; E62-R65 PolarHBondContact O-N 3.44Å; R65-E67 PolarHBondContact O-N 3.33Å
66E49.8Very low51.8Low160 Ų160133.3 Ų133.375%0.74864%0.642SS**  trans-83.76.4-172.1-72.7-174.3175.600116.1E62 E68E62-E66 PolarHBondContact O-N 3.4Å; E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 2.91Å
67E45.9Very low51.6Low139 Ų139143 Ų14365%0.6567%0.672SS**  trans-90.948.8169.8-91.7-160.7-125.900113.1R65 R75R65-E67 PolarHBondContact O-N 3.33Å; E67-R75 IonicContact OE2-NH1 2.69Å; E67-R75 PolarHBondContact OE2-NH1 3.25Å
68E47.1Very low51.5Low186 Ų186139.9 Ų139.987%0.86967%0.672SS**  trans-81.4115.5160.2-71.4-162.5150.100109.6E66E66-E68 VanDerWaalsContact C-N 3.34Å; E66-E68 PolarHBondContact O-N 2.91Å
69D50.4Low52.1Low61 Ų61140.6 Ų140.633%0.32668%0.682SS.*  trans-84147.6169.792.356.6000111.3N71 G72 R75D69-N71 PolarHBondContact O-N 3.08Å; D69-N71 WeakPolarHBondContact OD1-CB 3.22Å; D69-N71 PolarHBondContact OD1-N 2.95Å; D69-N71 PolarHBondContact OD1-ND2 3.32Å; D69-G72 PolarHBondContact O-N 3.47Å; D69-R75 IonicContact OD2-CZ 2.94Å; D69-R75 IonicContact OD2-NE 3.57Å; D69-R75 PolarHBondContact OD2-NE 2.81Å; D69-R75 IonicContact OD2-NH2 2.97Å; D69-R75 PolarHBondContact OD2-NH2 3.36Å
70E60.7Low52.3Low199 Ų199145.4 Ų145.493%0.9370%0.695SS**THydrogen-bonded Turntrans-58.70.5-167.8-151.1-179.8177.500115
71N52.8Low52.9Low122 Ų122151.5 Ų151.565%0.65272%0.72SS**THydrogen-bonded Turntrans-1135.3-176.3-51.6-86.1000114.6D69 L73D69-N71 PolarHBondContact O-N 3.08Å; D69-N71 WeakPolarHBondContact OD1-CB 3.22Å; D69-N71 PolarHBondContact OD1-N 2.95Å; D69-N71 PolarHBondContact OD1-ND2 3.32Å; N71-L73 PolarHBondContact O-N 3.33Å
72G51.6Low53.7Low74 Ų74151.6 Ų151.676%0.76372%0.719SS**  trans6118.216500000117D69D69-G72 PolarHBondContact O-N 3.47Å
73L58.1Low54.6Low132 Ų132154.9 Ų154.969%0.69173%0.731SS**  trans-101.5121.3-176.1-83.2158000111.1N71 R75N71-L73 PolarHBondContact O-N 3.33Å; L73-R75 PolarHBondContact O-N 2.93Å
74P52.4Low55.8Low116 Ų116152.3 Ų152.375%0.75373%0.725SS**  trans-65.2109.5-176.425.4-33.8000110.8R76P74-R76 PolarHBondContact O-N 2.94Å
75R56.1Low57.4Low171 Ų171150.9 Ų150.965%0.64572%0.721SS**  trans-55114.1-178.6-73.8-178.8168.6-173.6-2.9110.3E67 D69 L73 R77E67-R75 IonicContact OE2-NH1 2.69Å; E67-R75 PolarHBondContact OE2-NH1 3.25Å; D69-R75 IonicContact OD2-CZ 2.94Å; D69-R75 IonicContact OD2-NE 3.57Å; D69-R75 PolarHBondContact OD2-NE 2.81Å; D69-R75 IonicContact OD2-NH2 2.97Å; D69-R75 PolarHBondContact OD2-NH2 3.36Å; L73-R75 PolarHBondContact O-N 2.93Å; R75-R77 PolarHBondContact O-N 3.31Å
76R51.4Low59.2Low247 Ų247150.7 Ų150.793%0.93272%0.724SS**  trans-56.8135.9-170.2-76.9-158.5168.5-145.9-2.2112.2P74 G78P74-R76 PolarHBondContact O-N 2.94Å; R76-G78 VanDerWaalsContact C-N 3.29Å; R76-G78 PolarHBondContact O-N 3.42Å
77R48.1Very low61.1Low262 Ų262148.4 Ų148.499%0.98972%0.716SS**  trans-57.380.9178.6-64.8173179.1163-1.6112.1R75R75-R77 PolarHBondContact O-N 3.31Å
78G51.8Low63.3Low53 Ų53147.9 Ų147.955%0.54671%0.709SS.*  trans-102.2141.2169.600000110.7R76 R80R76-G78 VanDerWaalsContact C-N 3.29Å; R76-G78 PolarHBondContact O-N 3.42Å; G78-R80 PolarHBondContact O-N 3.41Å
79L63.2Low65.5Low175 Ų175142.5 Ų142.592%0.91669%0.685SS**  trans-70.158.9175.6-172.763.5000111.6K81L79-K81 PolarHBondContact O-N 3.09Å
80R56.8Low67.7Low229 Ų229143.7 Ų143.786%0.86469%0.689SS**  trans-74.2115.5168.7-58-168.489.1-176.77.3106.7G78 K82G78-R80 PolarHBondContact O-N 3.41Å; R80-K82 PolarHBondContact O-N 3.07Å
81K62.7Low69.2Low195 Ų195136.8 Ų136.885%0.84865%0.654SS**  trans-62.484.3164.7-66.6177.3178.6176.50107.7L79 K83L79-K81 PolarHBondContact O-N 3.09Å; K81-K83 PolarHBondContact O-N 3.49Å
82K65.9Low71.2Confident121 Ų121134.7 Ų134.753%0.52665%0.646SS.*  trans-51.9110.5173.2-169.7171.9-178.5176.60104.4D64 R80 T84D64-K82 IonicContact OD1-NZ 2.66Å; D64-K82 PolarHBondContact OD1-NZ 3.39Å; R80-K82 PolarHBondContact O-N 3.07Å; K82-T84 PolarHBondContact O-N 2.84Å
83K67.5Low73.3Confident197 Ų197135.9 Ų135.986%0.85763%0.63SS**  trans-54.7114.6178.1-73.6178.8179.7175.70104.9K81 T85K81-K83 PolarHBondContact O-N 3.49Å; K83-T85 PolarHBondContact O-N 2.85Å; K83-T85 VanDerWaalsContact O-N 3.09Å
84T75.2Confident75.2Confident81 Ų81135.9 Ų135.950%0.49763%0.625SS.*  trans-59.5121.9-172.433.60000108.1K82 L89K82-T84 PolarHBondContact O-N 2.84Å; T84-L89 WeakPolarHBondContact O-CD1 3.43Å; T84-L89 VanDerWaalsContact OG1-CD1 3.29Å; T84-L89 WeakPolarHBondContact OG1-CD1 3.4Å
85T85.6Confident77.3Confident80 Ų80136.2 Ų136.249%0.49161%0.611SS.*  trans-56.2144.2-179.6-47.80000109.1K83 L87 R88 L89K83-T85 PolarHBondContact O-N 2.85Å; K83-T85 VanDerWaalsContact O-N 3.09Å; T85-L87 PolarHBondContact O-N 2.99Å; T85-L87 VanDerWaalsContact O-N 3.1Å; T85-R88 WeakPolarHBondContact O-CA 3.45Å; T85-R88 WeakPolarHBondContact O-CB 3.48Å; T85-R88 PolarHBondContact O-N 2.99Å; T85-L89 VanDerWaalsContact O-CD1 3.28Å; T85-L89 WeakPolarHBondContact O-CD1 3.49Å; T85-L89 PolarHBondContact O-N 2.75Å; T85-L89 VanDerWaalsContact O-N 3.08Å
86K90Very high79.3Confident164 Ų164136.7 Ų136.771%0.71361%0.613SS**Hα-helixtrans-49.2-42.8-178.8-174.7-177.6175.2-172.10111.7R88 L89 E90K86-R88 PolarHBondContact O-N 3.19Å; K86-L89 PolarHBondContact O-N 3.4Å; K86-E90 PolarHBondContact O-N 3.31Å
87L90.4Very high81.5Confident112 Ų112131 Ų13159%0.58660%0.597SS**Hα-helixtrans-55.6-48.9174.3-59.5178.3000112.5T85 L89 E90 R91T85-L87 PolarHBondContact O-N 2.99Å; T85-L87 VanDerWaalsContact O-N 3.1Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 2.96Å; L87-E90 PolarHBondContact O-N 2.91Å; L87-E90 VanDerWaalsContact O-N 3.1Å; L87-R91 PolarHBondContact O-N 2.94Å
88R92.1Very high83.9Confident129 Ų129123.1 Ų123.149%0.48757%0.571SS.*Hα-helixtrans-62-34.6176.3-173.4170174.4156.40.5113T85 K86 V92T85-R88 WeakPolarHBondContact O-CA 3.45Å; T85-R88 WeakPolarHBondContact O-CB 3.48Å; T85-R88 PolarHBondContact O-N 2.99Å; K86-R88 PolarHBondContact O-N 3.19Å; R88-V92 WeakPolarHBondContact O-CB 3.37Å; R88-V92 VanDerWaalsContact O-CG2 3.28Å; R88-V92 WeakPolarHBondContact O-CG2 3.48Å; R88-V92 PolarHBondContact O-N 3.32Å; R88-V92 VanDerWaalsContact O-N 3.09Å
89L93.3Very high86.1Confident72 Ų72122.5 Ų122.538%0.37756%0.561SS.*Hα-helixtrans-66.3-45.3170.7-78.188.9000111.5T84 T85 K86 L87 V92 K93T84-L89 WeakPolarHBondContact O-CD1 3.43Å; T84-L89 VanDerWaalsContact OG1-CD1 3.29Å; T84-L89 WeakPolarHBondContact OG1-CD1 3.4Å; T85-L89 VanDerWaalsContact O-CD1 3.28Å; T85-L89 WeakPolarHBondContact O-CD1 3.49Å; T85-L89 PolarHBondContact O-N 2.75Å; T85-L89 VanDerWaalsContact O-N 3.08Å; K86-L89 PolarHBondContact O-N 3.4Å; L87-L89 VanDerWaalsContact C-N 3.33Å; L87-L89 PolarHBondContact O-N 2.96Å; L89-V92 PolarHBondContact O-N 3.38Å; L89-K93 WeakPolarHBondContact O-CG 3.17Å; L89-K93 PolarHBondContact O-N 2.95Å
90E95.1Very high87.8Confident86 Ų86118.6 Ų118.640%0.40254%0.541SS..Hα-helixtrans-63.9-41.3178.3-61.5-47.2137.400111.7K86 L87 V92 K93 F94K86-E90 PolarHBondContact O-N 3.31Å; L87-E90 PolarHBondContact O-N 2.91Å; L87-E90 VanDerWaalsContact O-N 3.1Å; E90-V92 VanDerWaalsContact C-N 3.35Å; E90-V92 PolarHBondContact O-N 3Å; E90-K93 WeakPolarHBondContact O-CB 3.48Å; E90-K93 PolarHBondContact O-N 2.88Å; E90-K93 IonicContact OE1-NZ 2.71Å; E90-K93 PolarHBondContact OE1-NZ 3.05Å; E90-K93 WeakPolarHBondContact OE2-CD 3.49Å; E90-K93 IonicContact OE2-NZ 3.68Å; E90-K93 PolarHBondContact OE2-NZ 2.67Å; E90-F94 WeakPolarHBondContact O-CB 3.16Å; E90-F94 PolarHBondContact O-N 2.74Å
91R92.9Very high89.7Confident54 Ų54109.5 Ų109.520%0.20452%0.515CS..Hα-helixtrans-59.4-41.8172.7-173.7179.8-73.3-127.5-12.3112.2T56 E60 L87 F94 R95T56-R91 PolarHBondContact O-NH1 3.02Å; T56-R91 PolarHBondContact O-NH2 2.98Å; E60-R91 VanDerWaalsContact CD-NH1 3.28Å; E60-R91 IonicContact OE1-CZ 2.63Å; E60-R91 IonicContact OE1-NE 3.3Å; E60-R91 PolarHBondContact OE1-NE 3.5Å; E60-R91 IonicContact OE1-NH1 3.8Å; E60-R91 IonicContact OE1-NH2 2.79Å; E60-R91 PolarHBondContact OE1-NH2 3.4Å; E60-R91 VanDerWaalsContact OE1-NH2 3.11Å; E60-R91 WeakPolarHBondContact OE2-CD 3.49Å; E60-R91 IonicContact OE2-CZ 3.96Å; E60-R91 IonicContact OE2-NE 3.98Å; E60-R91 PolarHBondContact OE2-NE 3.35Å; E60-R91 VanDerWaalsContact OE2-NE 3.1Å; E60-R91 IonicContact OE2-NH1 2.88Å; E60-R91 PolarHBondContact OE2-NH1 3.14Å; E60-R91 IonicContact OE2-NH2 3.04Å; L87-R91 PolarHBondContact O-N 2.94Å; R91-F94 PolarHBondContact O-N 2.8Å; R91-R95 WeakPolarHBondContact O-CG 3.48Å; R91-R95 PolarHBondContact O-N 3.26Å
92V95.2Very high91.5Very high79 Ų79107.9 Ų107.948%0.47950%0.503SS..Hα-helixtrans-67.9-39.9175.2169.70000111.8R88 L89 E90 R96R88-V92 WeakPolarHBondContact O-CB 3.37Å; R88-V92 VanDerWaalsContact O-CG2 3.28Å; R88-V92 WeakPolarHBondContact O-CG2 3.48Å; R88-V92 PolarHBondContact O-N 3.32Å; R88-V92 VanDerWaalsContact O-N 3.09Å; L89-V92 PolarHBondContact O-N 3.38Å; E90-V92 VanDerWaalsContact C-N 3.35Å; E90-V92 PolarHBondContact O-N 3Å; V92-R96 WeakPolarHBondContact O-CB 3.47Å; V92-R96 PolarHBondContact O-N 3.42Å
93K96.2Very high93Very high99 Ų99106.2 Ų106.243%0.4350%0.497SS..Hα-helixtrans-62.2-44.9173.6-72.8166.7178.8177.90111.4L89 E90 R96 Q97L89-K93 WeakPolarHBondContact O-CG 3.17Å; L89-K93 PolarHBondContact O-N 2.95Å; E90-K93 WeakPolarHBondContact O-CB 3.48Å; E90-K93 PolarHBondContact O-N 2.88Å; E90-K93 IonicContact OE1-NZ 2.71Å; E90-K93 PolarHBondContact OE1-NZ 3.05Å; E90-K93 WeakPolarHBondContact OE2-CD 3.49Å; E90-K93 IonicContact OE2-NZ 3.68Å; E90-K93 PolarHBondContact OE2-NZ 2.67Å; K93-R96 PolarHBondContact O-N 2.89Å; K93-Q97 WeakPolarHBondContact O-CG 3.49Å; K93-Q97 PolarHBondContact O-N 3.38Å
94F96.5Very high94.5Very high131 Ų131104 Ų10458%0.57548%0.483SS*.Hα-helixtrans-61.1-52.5179-176.6-95.1000111.3E90 R91 R96 Q97 E98E90-F94 WeakPolarHBondContact O-CB 3.16Å; E90-F94 PolarHBondContact O-N 2.74Å; R91-F94 PolarHBondContact O-N 2.8Å; F94-R96 PolarHBondContact O-N 2.83Å; F94-Q97 WeakPolarHBondContact O-CA 3.28Å; F94-Q97 WeakPolarHBondContact O-CB 3.45Å; F94-Q97 PolarHBondContact O-N 2.87Å; F94-E98 PolarHBondContact O-N 2.83Å
95R97.6Very high95.6Very high124 Ų124105.3 Ų105.347%0.46849%0.488SS..Hα-helixtrans-57.3-35.2175.6-71.8-168.6-74.6-153.9-1.3112.6R91 A99R91-R95 WeakPolarHBondContact O-CG 3.48Å; R91-R95 PolarHBondContact O-N 3.26Å; R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 2.95Å
96R97.7Very high96.2Very high181 Ų181109.1 Ų109.168%0.68349%0.493SS*.Hα-helixtrans-69.9-39.7173.4-172.6174.2-177.2173.40.2112.8V92 K93 F94 N100V92-R96 WeakPolarHBondContact O-CB 3.47Å; V92-R96 PolarHBondContact O-N 3.42Å; K93-R96 PolarHBondContact O-N 2.89Å; F94-R96 PolarHBondContact O-N 2.83Å; R96-N100 WeakPolarHBondContact O-CB 3.38Å; R96-N100 PolarHBondContact O-N 3.28Å; R96-N100 PolarHBondContact O-ND2 2.98Å; R96-N100 PolarHBondContact O-OD1 3.46Å
97Q97.7Very high96.7Very high127 Ų127104.3 Ų104.359%0.59347%0.474SS*.Hα-helixtrans-64.5-43175.5-73.8173.33.100111.4K93 F94 N100 A101K93-Q97 WeakPolarHBondContact O-CG 3.49Å; K93-Q97 PolarHBondContact O-N 3.38Å; F94-Q97 WeakPolarHBondContact O-CA 3.28Å; F94-Q97 WeakPolarHBondContact O-CB 3.45Å; F94-Q97 PolarHBondContact O-N 2.87Å; Q97-N100 PolarHBondContact O-N 3.42Å; Q97-A101 PolarHBondContact O-N 3.29Å
98E98.1Very high97Very high97 Ų97103.6 Ų103.645%0.45347%0.467SS..Hα-helixtrans-63.8-46.5175.4-175.6-175.9-164.500111.9F94 N100 A101 R102F94-E98 PolarHBondContact O-N 2.83Å; E98-N100 VanDerWaalsContact C-N 3.31Å; E98-N100 PolarHBondContact O-N 2.96Å; E98-A101 WeakPolarHBondContact O-CB 3.39Å; E98-A101 PolarHBondContact O-N 3.48Å; E98-A101 VanDerWaalsContact O-N 3.09Å; E98-R102 WeakPolarHBondContact O-CG 3.47Å; E98-R102 PolarHBondContact O-N 3.46Å
99A98Very high97.3Very high40 Ų4099.4 Ų99.433%0.33147%0.465SS..Hα-helixtrans-58.2-42.8174.600000112.1R95 A101 R102 E103R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 2.95Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 2.9Å; A99-R102 PolarHBondContact O-N 3.42Å; A99-E103 PolarHBondContact O-N 3.02Å
100N98.6Very high97.6Very high92 Ų92100.7 Ų100.749%0.49247%0.471SS..Hα-helixtrans-63.3-36.6174.3-70-16.1000112.4R96 Q97 E98 R104R96-N100 WeakPolarHBondContact O-CB 3.38Å; R96-N100 PolarHBondContact O-N 3.28Å; R96-N100 PolarHBondContact O-ND2 2.98Å; R96-N100 PolarHBondContact O-OD1 3.46Å; Q97-N100 PolarHBondContact O-N 3.42Å; E98-N100 VanDerWaalsContact C-N 3.31Å; E98-N100 PolarHBondContact O-N 2.96Å; N100-R104 WeakPolarHBondContact O-CB 3.42Å; N100-R104 PolarHBondContact O-N 3.41Å
101A98.5Very high97.7Very high38 Ų3899 Ų9931%0.31447%0.465SS..Hα-helixtrans-68-42.4175.900000111.5Q97 E98 A99 R104 N105Q97-A101 PolarHBondContact O-N 3.29Å; E98-A101 WeakPolarHBondContact O-CB 3.39Å; E98-A101 PolarHBondContact O-N 3.48Å; E98-A101 VanDerWaalsContact O-N 3.09Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 2.9Å; A101-R104 PolarHBondContact O-N 3.27Å; A101-N105 VanDerWaalsContact O-CG 3.3Å; A101-N105 PolarHBondContact O-N 3.41Å; A101-N105 PolarHBondContact O-OD1 2.86Å
102R98.6Very high98Very high162 Ų162100.7 Ų100.761%0.61148%0.478SS*.Hα-helixtrans-60.7-46.7174.6-71-170.3-69.6136.5-6.3112.1E98 A99 R104 N105 R106E98-R102 WeakPolarHBondContact O-CG 3.47Å; E98-R102 PolarHBondContact O-N 3.46Å; A99-R102 PolarHBondContact O-N 3.42Å; R102-R104 PolarHBondContact O-N 3.09Å; R102-N105 PolarHBondContact O-N 3.45Å; R102-R106 PolarHBondContact O-N 3.38Å
103E98.7Very high98.1Very high85 Ų8599.6 Ų99.640%0.39748%0.477SS..Hα-helixtrans-67-36.1177.6178.455.8-166.600112.2A99 N105 R106 M107A99-E103 PolarHBondContact O-N 3.02Å; E103-N105 VanDerWaalsContact C-N 3.34Å; E103-N105 PolarHBondContact O-N 3.07Å; E103-R106 PolarHBondContact O-N 2.93Å; E103-R106 IonicContact OE1-NH1 2.96Å; E103-R106 PolarHBondContact OE1-NH1 3.5Å; E103-R106 WeakPolarHBondContact OE2-CD 3.22Å; E103-R106 IonicContact OE2-CZ 3.2Å; E103-R106 IonicContact OE2-NE 3.9Å; E103-R106 IonicContact OE2-NH1 2.8Å; E103-R106 PolarHBondContact OE2-NH1 3.01Å; E103-M107 HydrophobicContact CG-CG 4.46Å; E103-M107 WeakPolarHBondContact O-CB 3.39Å; E103-M107 WeakPolarHBondContact O-CG 3.44Å; E103-M107 PolarHBondContact O-N 3.28Å; E103-M107 WeakPolarHBondContact OE1-CG 3.26Å
104R98.7Very high98.2Very high150 Ų15095.9 Ų95.957%0.56646%0.462SS*.Hα-helixtrans-58.7-45.8171.4-175.5-177.6-65.6112.8-1.7111.3N100 A101 R102 M107 H108N100-R104 WeakPolarHBondContact O-CB 3.42Å; N100-R104 PolarHBondContact O-N 3.41Å; A101-R104 PolarHBondContact O-N 3.27Å; R102-R104 PolarHBondContact O-N 3.09Å; R104-M107 PolarHBondContact O-N 3.27Å; R104-H108 WeakPolarHBondContact CG-NE2 3.42Å; R104-H108 PolarHBondContact O-CD2 2.93Å; R104-H108 PolarHBondContact O-N 3.08Å
105N98.5Very high98.2Very high110 Ų11091.5 Ų91.559%0.58844%0.444SS*.Hα-helixtrans-63.9-42.6178.5-68.1-8.9000112A101 R102 E103 M107 H108 G109A101-N105 VanDerWaalsContact O-CG 3.3Å; A101-N105 PolarHBondContact O-N 3.41Å; A101-N105 PolarHBondContact O-OD1 2.86Å; R102-N105 PolarHBondContact O-N 3.45Å; E103-N105 VanDerWaalsContact C-N 3.34Å; E103-N105 PolarHBondContact O-N 3.07Å; N105-M107 VanDerWaalsContact C-N 3.32Å; N105-M107 PolarHBondContact O-N 3.37Å; N105-H108 PolarHBondContact O-N 3.26Å; N105-G109 PolarHBondContact O-N 3.29Å; N105-G109 VanDerWaalsContact O-N 3.15Å
106R98.8Very high98.2Very high160 Ų16089.8 Ų89.860%0.60444%0.444SS*.Hα-helixtrans-58.4-43.7172.6176.2173.3163.3-79.5-6.7111.8R102 E103 G109 L110R102-R106 PolarHBondContact O-N 3.38Å; E103-R106 PolarHBondContact O-N 2.93Å; E103-R106 IonicContact OE1-NH1 2.96Å; E103-R106 PolarHBondContact OE1-NH1 3.5Å; E103-R106 WeakPolarHBondContact OE2-CD 3.22Å; E103-R106 IonicContact OE2-CZ 3.2Å; E103-R106 IonicContact OE2-NE 3.9Å; E103-R106 IonicContact OE2-NH1 2.8Å; E103-R106 PolarHBondContact OE2-NH1 3.01Å; R106-G109 PolarHBondContact O-N 3.48Å; R106-L110 PolarHBondContact O-N 3.41Å; R106-L110 VanDerWaalsContact O-N 3.12Å
107M98.7Very high98.2Very high62 Ų6283.8 Ų83.831%0.30543%0.426SS..Hα-helixtrans-69.5-30177.7-73.7-59.1-6000113.5E103 R104 N105 L110 N111E103-M107 HydrophobicContact CG-CG 4.46Å; E103-M107 WeakPolarHBondContact O-CB 3.39Å; E103-M107 WeakPolarHBondContact O-CG 3.44Å; E103-M107 PolarHBondContact O-N 3.28Å; E103-M107 WeakPolarHBondContact OE1-CG 3.26Å; R104-M107 PolarHBondContact O-N 3.27Å; N105-M107 VanDerWaalsContact C-N 3.32Å; N105-M107 PolarHBondContact O-N 3.37Å; M107-L110 HydrophobicContact CE-CD2 4.14Å; M107-L110 HydrophobicContact SD-CD2 4.04Å; M107-N111 VanDerWaalsContact O-CG 3.24Å; M107-N111 PolarHBondContact O-N 2.72Å; M107-N111 PolarHBondContact O-ND2 2.98Å
108H98.4Very high98.2Very high97 Ų9779.2 Ų79.245%0.44940%0.403SS..Hα-helixtrans-62-53.1169.5-76.3-63000110.9R104 N105 L110 N111 D112R104-H108 WeakPolarHBondContact CG-NE2 3.42Å; R104-H108 PolarHBondContact O-CD2 2.93Å; R104-H108 PolarHBondContact O-N 3.08Å; N105-H108 PolarHBondContact O-N 3.26Å; H108-L110 VanDerWaalsContact C-N 3.27Å; H108-L110 PolarHBondContact O-N 3.27Å; H108-N111 WeakPolarHBondContact O-CA 3.34Å; H108-N111 PolarHBondContact O-N 2.96Å; H108-D112 VanDerWaalsContact O-CG 3.26Å; H108-D112 PolarHBondContact O-N 3.4Å
109G98.2Very high98Very high42 Ų4280 Ų8043%0.43341%0.405SS..Hα-helixtrans-56.6-37177.700000114N105 R106 D112 A113N105-G109 PolarHBondContact O-N 3.29Å; N105-G109 VanDerWaalsContact O-N 3.15Å; R106-G109 PolarHBondContact O-N 3.48Å; G109-D112 PolarHBondContact O-N 3.49Å; G109-A113 WeakPolarHBondContact O-CB 3.49Å; G109-A113 PolarHBondContact O-N 3.46Å
110L98.5Very high97.9Very high98 Ų9883 Ų8351%0.51342%0.419SS..Hα-helixtrans-66.7-39.8173.5-178.763.3000112.9R106 M107 H108 L114R106-L110 PolarHBondContact O-N 3.41Å; R106-L110 VanDerWaalsContact O-N 3.12Å; M107-L110 HydrophobicContact CE-CD2 4.14Å; M107-L110 HydrophobicContact SD-CD2 4.04Å; H108-L110 VanDerWaalsContact C-N 3.27Å; H108-L110 PolarHBondContact O-N 3.27Å; L110-L114 PolarHBondContact O-N 3.25Å
111N98.2Very high97.7Very high50 Ų5079 Ų7927%0.26740%0.398SS..Hα-helixtrans-69.7-35.7176.6-69.5-43.5000111.6M107 H108 L114 D115 K132M107-N111 VanDerWaalsContact O-CG 3.24Å; M107-N111 PolarHBondContact O-N 2.72Å; M107-N111 PolarHBondContact O-ND2 2.98Å; H108-N111 WeakPolarHBondContact O-CA 3.34Å; H108-N111 PolarHBondContact O-N 2.96Å; N111-L114 WeakPolarHBondContact O-CB 3.3Å; N111-L114 PolarHBondContact O-N 3.06Å; N111-D115 PolarHBondContact O-N 3.28Å; N111-K132 WeakPolarHBondContact OD1-CE 3.36Å; N111-K132 PolarHBondContact OD1-NZ 2.8Å
112D98Very high97.3Very high91 Ų9178.3 Ų78.349%0.48739%0.39SS..Hα-helixtrans-66.5-42175.9-62-27.2000111.2H108 G109 L114 D115 N116H108-D112 VanDerWaalsContact O-CG 3.26Å; H108-D112 PolarHBondContact O-N 3.4Å; G109-D112 PolarHBondContact O-N 3.49Å; D112-L114 VanDerWaalsContact C-N 3.32Å; D112-L114 PolarHBondContact O-N 3.26Å; D112-D115 PolarHBondContact O-N 2.85Å; D112-N116 PolarHBondContact O-N 3.44Å; D112-N116 PolarHBondContact O-ND2 3.49Å
113A98.4Very high96.7Very high55 Ų5571.4 Ų71.446%0.45537%0.366SS..Hα-helixtrans-60.6-40.6171.600000112G109 N116 L117G109-A113 WeakPolarHBondContact O-CB 3.49Å; G109-A113 PolarHBondContact O-N 3.46Å; A113-N116 PolarHBondContact O-N 3.29Å; A113-L117 PolarHBondContact O-N 2.99Å
114L98.2Very high96.2Very high21 Ų2172 Ų7211%0.1137%0.366CS..Hα-helixtrans-67.4-37.5175.3-174.368.2000112.4L110 N111 D112 N116 L117 R118 K132 T135L110-L114 PolarHBondContact O-N 3.25Å; N111-L114 WeakPolarHBondContact O-CB 3.3Å; N111-L114 PolarHBondContact O-N 3.06Å; D112-L114 VanDerWaalsContact C-N 3.32Å; D112-L114 PolarHBondContact O-N 3.26Å; L114-N116 VanDerWaalsContact C-N 3.33Å; L114-L117 HydrophobicContact CD1-CD2 4.32Å; L114-L117 WeakPolarHBondContact O-CB 3.49Å; L114-L117 PolarHBondContact O-N 3.28Å; L114-R118 WeakPolarHBondContact O-CG 3.33Å; L114-R118 PolarHBondContact O-N 3.11Å; L114-K132 HydrophobicContact CD2-CB 4.17Å; L114-K132 HydrophobicContact CD2-CD 4.1Å; L114-K132 HydrophobicContact CD2-CG 3.72Å; L114-T135 HydrophobicContact CD1-CG2 3.85Å
115D96.5Very high95.6Very high39 Ų3966.1 Ų66.121%0.20935%0.347CS..Hα-helixtrans-68.8-30.4173.1-91.8-14.7000112.5N111 D112 R118 K119 K129N111-D115 PolarHBondContact O-N 3.28Å; D112-D115 PolarHBondContact O-N 2.85Å; D115-R118 PolarHBondContact O-N 3.38Å; D115-R118 IonicContact OD1-CZ 2.7Å; D115-R118 IonicContact OD1-NE 3.5Å; D115-R118 IonicContact OD1-NH1 2.75Å; D115-R118 PolarHBondContact OD1-NH1 3.46Å; D115-K119 WeakPolarHBondContact O-CG 3.39Å; D115-K119 PolarHBondContact O-N 3.16Å; D115-K129 IonicContact OD1-NZ 3.81Å; D115-K129 PolarHBondContact OD1-NZ 3.39Å; D115-K129 IonicContact OD2-NZ 3.4Å; D115-K129 PolarHBondContact OD2-NZ 3.35Å
116N97Very high95Very high88 Ų8869.7 Ų69.747%0.47136%0.358SS..Hα-helixtrans-68.7-40.9169.1-72.1-27.2000111.7D112 A113 L114 R118 K119D112-N116 PolarHBondContact O-N 3.44Å; D112-N116 PolarHBondContact O-ND2 3.49Å; A113-N116 PolarHBondContact O-N 3.29Å; L114-N116 VanDerWaalsContact C-N 3.33Å; N116-R118 VanDerWaalsContact C-N 3.32Å; N116-R118 PolarHBondContact O-N 2.71Å; N116-K119 WeakPolarHBondContact O-CB 3.38Å; N116-K119 PolarHBondContact O-N 3.18Å; N116-K119 VanDerWaalsContact O-N 3.16Å; N116-K119 PolarHBondContact OD1-NZ 3.3Å
117L98.2Very high94.5Very high55 Ų5568.7 Ų68.729%0.28837%0.369SS..Hα-helixtrans-58.9-42.6172.2-179.461000111.5A113 L114 K119 V120 V121 T135 L136 A139A113-L117 PolarHBondContact O-N 2.99Å; L114-L117 HydrophobicContact CD1-CD2 4.32Å; L114-L117 WeakPolarHBondContact O-CB 3.49Å; L114-L117 PolarHBondContact O-N 3.28Å; L117-K119 PolarHBondContact O-N 3.16Å; L117-V120 HydrophobicContact CD1-CG2 4.11Å; L117-V120 VanDerWaalsContact O-CG2 3.26Å; L117-V120 WeakPolarHBondContact O-CG2 3.48Å; L117-V120 PolarHBondContact O-N 3.05Å; L117-V120 VanDerWaalsContact O-N 3.17Å; L117-V121 HydrophobicContact CD1-CG2 3.9Å; L117-V121 HydrophobicContact CG-CG2 4.1Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.48Å; L117-V121 PolarHBondContact O-N 3.31Å; L117-T135 HydrophobicContact CD2-CG2 4.15Å; L117-T135 HydrophobicContact CG-CG2 4.22Å; L117-L136 HydrophobicContact CD2-CD2 4.22Å; L117-A139 HydrophobicContact CD1-CB 4.07Å; L117-A139 HydrophobicContact CD2-CB 4.09Å; L117-A139 HydrophobicContact CG-CB 4.35Å
118R96.8Very high94Very high31 Ų3170.6 Ų70.612%0.11738%0.378CS..Hα-helixtrans-56.1-33.3176.3-74.4-179.7-178.3102.66.4113.4L114 D115 N116 Y124 L130 T135L114-R118 WeakPolarHBondContact O-CG 3.33Å; L114-R118 PolarHBondContact O-N 3.11Å; D115-R118 PolarHBondContact O-N 3.38Å; D115-R118 IonicContact OD1-CZ 2.7Å; D115-R118 IonicContact OD1-NE 3.5Å; D115-R118 IonicContact OD1-NH1 2.75Å; D115-R118 PolarHBondContact OD1-NH1 3.46Å; N116-R118 VanDerWaalsContact C-N 3.32Å; N116-R118 PolarHBondContact O-N 2.71Å; R118-Y124 HydrophobicContact CB-CD2 4.09Å; R118-Y124 HydrophobicContact CB-CE2 4.25Å; R118-Y124 WeakPolarHBondContact O-CB 3.35Å; R118-Y124 WeakPolarHBondContact O-CD2 3.49Å; R118-L130 PolarHBondContact NE-O 3.26Å; R118-L130 PolarHBondContact NH2-O 3.14Å; R118-T135 HydrophobicContact CG-CG2 3.63Å; R118-T135 PolarHBondContact NE-OG1 3.41Å
119K95.2Very high93.8Very high115 Ų11571.5 Ų71.550%0.538%0.381SS..Hα-helixtrans-72.1-26.6-178.6-64.2164.9-165.11680113.6D115 N116 L117 Y124D115-K119 WeakPolarHBondContact O-CG 3.39Å; D115-K119 PolarHBondContact O-N 3.16Å; N116-K119 WeakPolarHBondContact O-CB 3.38Å; N116-K119 PolarHBondContact O-N 3.18Å; N116-K119 VanDerWaalsContact O-N 3.16Å; N116-K119 PolarHBondContact OD1-NZ 3.3Å; L117-K119 PolarHBondContact O-N 3.16Å; K119-Y124 HydrophobicContact CG-CE1 4.44Å; K119-Y124 HydrophobicContact CG-CE2 4.05Å
120V95.6Very high93.6Very high103 Ų10370.8 Ų70.862%0.62437%0.366SS*.Hα-helixtrans-100.1-13.6-176.3-60.10000113.6L117L117-V120 HydrophobicContact CD1-CG2 4.11Å; L117-V120 VanDerWaalsContact O-CG2 3.26Å; L117-V120 WeakPolarHBondContact O-CG2 3.48Å; L117-V120 PolarHBondContact O-N 3.05Å; L117-V120 VanDerWaalsContact O-N 3.17Å
121V94.4Very high93.5Very high8 Ų868.8 Ų68.85%0.04836%0.361CS..SBendtrans-80.1144.1174.8173.30000109.5L117 L138 A139L117-V121 HydrophobicContact CD1-CG2 3.9Å; L117-V121 HydrophobicContact CG-CG2 4.1Å; L117-V121 VanDerWaalsContact O-CG2 3.27Å; L117-V121 WeakPolarHBondContact O-CG2 3.48Å; L117-V121 PolarHBondContact O-N 3.31Å; V121-L138 HydrophobicContact CG1-CB 4.02Å; V121-L138 HydrophobicContact CG1-CD2 3.48Å; V121-L138 VanDerWaalsContact CG1-CD2 3.48Å; V121-L138 HydrophobicContact CG1-CG 3.43Å; V121-L138 VanDerWaalsContact CG1-CG 3.43Å; V121-A139 HydrophobicContact CG2-CB 3.81Å
122P90.9Very high93.5Very high23 Ų2371.4 Ų71.415%0.14937%0.37CS..THydrogen-bonded Turntrans-54.8150.6176.9-27.235.9000112.1L138 Y142 L165P122-L138 WeakPolarHBondContact O-CD2 3.36Å; P122-Y142 VanDerWaalsContact CD-CD1 3.48Å; P122-Y142 HydrophobicContact CG-CD1 4.08Å; P122-Y142 HydrophobicContact CG-CD2 3.58Å; P122-Y142 HydrophobicContact CG-CE1 4.14Å; P122-Y142 HydrophobicContact CG-CE2 3.66Å; P122-Y142 HydrophobicContact CG-CG 3.78Å; P122-L165 HydrophobicContact CB-CD1 4.1Å; P122-L165 HydrophobicContact CG-CD1 4.13Å; P122-L165 HydrophobicContact CG-CD2 4.23Å
123C85.4Confident93.5Very high17 Ų1771.4 Ų71.412%0.11537%0.369CS..THydrogen-bonded Turntrans67.931174.9-38.40000114.1S125 V177 C180C123-S125 PolarHBondContact O-N 2.96Å; C123-V177 HydrophobicContact CB-CG2 4.26Å; C123-V177 VanDerWaalsContact SG-CA 3.59Å; C123-C180 HydrophobicContact CB-CB 3.61Å; C123-C180 VanDerWaalsContact SG-CB 3.56Å
124Y88.1Confident93.4Very high97 Ų9769.2 Ų69.238%0.3835%0.349SS..  trans-58121169176.5-112.4000111.4R118 K119 K126R118-Y124 HydrophobicContact CB-CD2 4.09Å; R118-Y124 HydrophobicContact CB-CE2 4.25Å; R118-Y124 WeakPolarHBondContact O-CB 3.35Å; R118-Y124 WeakPolarHBondContact O-CD2 3.49Å; K119-Y124 HydrophobicContact CG-CE1 4.44Å; K119-Y124 HydrophobicContact CG-CE2 4.05Å; Y124-K126 HydrophobicContact CE1-CG 3.87Å
125S86.7Confident93.4Very high26 Ų2668.2 Ų68.218%0.18234%0.344CS..  trans-115.1131.8170.7173.90000110.7C123 T127 Q128C123-S125 PolarHBondContact O-N 2.96Å; S125-T127 VanDerWaalsContact C-N 3.3Å; S125-T127 PolarHBondContact OG-N 3.42Å; S125-T127 PolarHBondContact OG-OG1 3.17Å; S125-T127 VanDerWaalsContact OG-OG1 3.11Å; S125-Q128 WeakPolarHBondContact CB-O 3.49Å; S125-Q128 PolarHBondContact OG-N 3.23Å; S125-Q128 VanDerWaalsContact OG-N 3.08Å
126K84.8Confident93.4Very high185 Ų18571 Ų7180%0.80436%0.358SS*.SBendtrans-68.2-30.5173.4-68.7-175.6179.1-178.70112.1Y124Y124-K126 HydrophobicContact CE1-CG 3.87Å
127T88.3Confident93.5Very high139 Ų13972 Ų7285%0.85336%0.355SS*.SBendtrans-93.1-30.6-175.653.10000112.8S125S125-T127 VanDerWaalsContact C-N 3.3Å; S125-T127 PolarHBondContact OG-N 3.42Å; S125-T127 PolarHBondContact OG-OG1 3.17Å; S125-T127 VanDerWaalsContact OG-OG1 3.11Å
128Q89.3Confident93.4Very high103 Ų10369.4 Ų69.448%0.48134%0.342SS..SBendtrans-122.796.6-177.8-170.618013.800110.8S125S125-Q128 WeakPolarHBondContact CB-O 3.49Å; S125-Q128 PolarHBondContact OG-N 3.23Å; S125-Q128 VanDerWaalsContact OG-N 3.08Å
129K92.6Very high93.5Very high116 Ų11668.4 Ų68.450%0.50434%0.34SS..PPolyproline II helixtrans-77.1132.8175-68.3-170.3177.4-172.20111.3D115D115-K129 IonicContact OD1-NZ 3.81Å; D115-K129 PolarHBondContact OD1-NZ 3.39Å; D115-K129 IonicContact OD2-NZ 3.4Å; D115-K129 PolarHBondContact OD2-NZ 3.35Å
130L94.7Very high93.7Very high26 Ų2670.1 Ų70.114%0.13635%0.348CS..PPolyproline II helixtrans-63.4146.2167.9-64.5-178.7000111.5R118 E134 T135 L138 T173 L176R118-L130 PolarHBondContact NE-O 3.26Å; R118-L130 PolarHBondContact NH2-O 3.14Å; L130-E134 HydrophobicContact CB-CB 4.34Å; L130-T135 WeakPolarHBondContact CB-OG1 3.4Å; L130-T135 PolarHBondContact O-OG1 2.63Å; L130-L138 HydrophobicContact CD1-CD2 3.68Å; L130-T173 HydrophobicContact CD1-CG2 4.44Å; L130-T173 HydrophobicContact CD2-CG2 3.78Å; L130-L176 HydrophobicContact CD2-CD2 4Å
131S96Very high93.8Very high57 Ų5766.1 Ų66.140%0.39932%0.323SS..PPolyproline II helixtrans-61.1165.5173.682.90000111.3I133 E134 T135S131-I133 VanDerWaalsContact C-N 3.35Å; S131-I133 PolarHBondContact O-N 2.95Å; S131-I133 WeakPolarHBondContact OG-CG2 3.48Å; S131-E134 PolarHBondContact O-N 2.87Å; S131-E134 WeakPolarHBondContact OG-CB 3.27Å; S131-E134 VanDerWaalsContact OG-CG 3.22Å; S131-E134 WeakPolarHBondContact OG-CG 3.27Å; S131-E134 PolarHBondContact OG-N 3.49Å; S131-T135 WeakPolarHBondContact O-CB 3.49Å; S131-T135 PolarHBondContact O-N 3.04Å; S131-T135 PolarHBondContact O-OG1 2.76Å
132K97.7Very high93.9Very high104 Ų10469 Ų6945%0.45233%0.334SS..Hα-helixtrans-57.9-47.1-179.1-60.5-161.7168.6-169.20111.7N111 L114 L136N111-K132 WeakPolarHBondContact OD1-CE 3.36Å; N111-K132 PolarHBondContact OD1-NZ 2.8Å; L114-K132 HydrophobicContact CD2-CB 4.17Å; L114-K132 HydrophobicContact CD2-CD 4.1Å; L114-K132 HydrophobicContact CD2-CG 3.72Å; K132-L136 WeakPolarHBondContact O-CG 3.34Å; K132-L136 PolarHBondContact O-N 3Å
133I98Very high94.3Very high92 Ų9273.2 Ų73.247%0.47235%0.353SS..Hα-helixtrans-68.1-41.5-179.6-175.959.6000112.4S131 T135 L136 R137S131-I133 VanDerWaalsContact C-N 3.35Å; S131-I133 PolarHBondContact O-N 2.95Å; S131-I133 WeakPolarHBondContact OG-CG2 3.48Å; I133-T135 PolarHBondContact O-N 3.06Å; I133-L136 PolarHBondContact O-N 3.07Å; I133-R137 HydrophobicContact CD1-CG 4.3Å; I133-R137 HydrophobicContact CG1-CG 4.41Å; I133-R137 WeakPolarHBondContact O-CG 3.41Å; I133-R137 PolarHBondContact O-N 3.26Å
134E97.2Very high94.9Very high8 Ų878.2 Ų78.24%0.03737%0.37CS..Hα-helixtrans-67.9-36.8179.8-64.2-69.895.900111.7L130 S131 L136 R137 L138 S170 T173L130-E134 HydrophobicContact CB-CB 4.34Å; S131-E134 PolarHBondContact O-N 2.87Å; S131-E134 WeakPolarHBondContact OG-CB 3.27Å; S131-E134 VanDerWaalsContact OG-CG 3.22Å; S131-E134 WeakPolarHBondContact OG-CG 3.27Å; S131-E134 PolarHBondContact OG-N 3.49Å; E134-L136 PolarHBondContact O-N 3.27Å; E134-R137 PolarHBondContact O-N 3.46Å; E134-R137 WeakPolarHBondContact OE1-CD 3.4Å; E134-R137 IonicContact OE1-CZ 3.63Å; E134-R137 IonicContact OE1-NH1 3.58Å; E134-R137 PolarHBondContact OE1-NH1 3Å; E134-L138 WeakPolarHBondContact O-CB 3.42Å; E134-L138 PolarHBondContact O-N 3.43Å; E134-S170 WeakPolarHBondContact OE2-CB 3.47Å; E134-S170 PolarHBondContact OE2-N 3.08Å; E134-S170 PolarHBondContact OE2-OG 2.81Å; E134-T173 VanDerWaalsContact OE2-CB 3.26Å; E134-T173 WeakPolarHBondContact OE2-CB 3.37Å; E134-T173 PolarHBondContact OE2-OG1 2.94Å
135T97.5Very high95.3Very high1 Ų173.8 Ų73.81%0.00635%0.353CS..Hα-helixtrans-59.8-46173.5-52.80000111L114 L117 R118 L130 S131 I133 A139L114-T135 HydrophobicContact CD1-CG2 3.85Å; L117-T135 HydrophobicContact CD2-CG2 4.15Å; L117-T135 HydrophobicContact CG-CG2 4.22Å; R118-T135 HydrophobicContact CG-CG2 3.63Å; R118-T135 PolarHBondContact NE-OG1 3.41Å; L130-T135 WeakPolarHBondContact CB-OG1 3.4Å; L130-T135 PolarHBondContact O-OG1 2.63Å; S131-T135 WeakPolarHBondContact O-CB 3.49Å; S131-T135 PolarHBondContact O-N 3.04Å; S131-T135 PolarHBondContact O-OG1 2.76Å; I133-T135 PolarHBondContact O-N 3.06Å; T135-A139 VanDerWaalsContact O-CB 3.27Å; T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 3.31Å
136L98.3Very high95.7Very high97 Ų9775.8 Ų75.851%0.50836%0.362SS..Hα-helixtrans-69.1-40.8-179.8-67.1172.6000112.4L117 K132 I133 E134 A139 K140L117-L136 HydrophobicContact CD2-CD2 4.22Å; K132-L136 WeakPolarHBondContact O-CG 3.34Å; K132-L136 PolarHBondContact O-N 3Å; I133-L136 PolarHBondContact O-N 3.07Å; E134-L136 PolarHBondContact O-N 3.27Å; L136-A139 PolarHBondContact O-N 2.93Å; L136-K140 PolarHBondContact O-N 2.92Å
137R98Very high96.3Very high108 Ų10870.1 Ų70.141%0.40835%0.346SS..Hα-helixtrans-61-50.9175-74.4170.5170.6172.3-8111.5I133 E134 A139 K140 N141 G168 L169I133-R137 HydrophobicContact CD1-CG 4.3Å; I133-R137 HydrophobicContact CG1-CG 4.41Å; I133-R137 WeakPolarHBondContact O-CG 3.41Å; I133-R137 PolarHBondContact O-N 3.26Å; E134-R137 PolarHBondContact O-N 3.46Å; E134-R137 WeakPolarHBondContact OE1-CD 3.4Å; E134-R137 IonicContact OE1-CZ 3.63Å; E134-R137 IonicContact OE1-NH1 3.58Å; E134-R137 PolarHBondContact OE1-NH1 3Å; R137-A139 VanDerWaalsContact C-N 3.33Å; R137-A139 PolarHBondContact O-N 3.28Å; R137-K140 PolarHBondContact O-N 2.93Å; R137-N141 WeakPolarHBondContact O-CB 3.16Å; R137-N141 PolarHBondContact O-N 3.29Å; R137-N141 PolarHBondContact O-OD1 3.24Å; R137-G168 WeakPolarHBondContact CD-O 3.28Å; R137-G168 PolarHBondContact NH1-O 3.29Å; R137-L169 HydrophobicContact CB-CD2 3.49Å; R137-L169 VanDerWaalsContact CB-CD2 3.49Å
138L97.3Very high96.7Very high1 Ų166.1 Ų66.11%0.00532%0.317CS..Hα-helixtrans-66.3-35.7-179.4-176.660.8000111.6V121 P122 L130 E134 N141 Y142 L165 L169 V177V121-L138 HydrophobicContact CG1-CB 4.02Å; V121-L138 HydrophobicContact CG1-CD2 3.48Å; V121-L138 VanDerWaalsContact CG1-CD2 3.48Å; V121-L138 HydrophobicContact CG1-CG 3.43Å; V121-L138 VanDerWaalsContact CG1-CG 3.43Å; P122-L138 WeakPolarHBondContact O-CD2 3.36Å; L130-L138 HydrophobicContact CD1-CD2 3.68Å; E134-L138 WeakPolarHBondContact O-CB 3.42Å; E134-L138 PolarHBondContact O-N 3.43Å; L138-N141 PolarHBondContact O-N 2.89Å; L138-Y142 VanDerWaalsContact O-CB 3.3Å; L138-Y142 WeakPolarHBondContact O-CB 3.48Å; L138-Y142 PolarHBondContact O-N 3.4Å; L138-L165 HydrophobicContact CD1-CB 3.93Å; L138-L165 HydrophobicContact CD1-CD2 4.08Å; L138-L165 HydrophobicContact CD1-CG 4.47Å; L138-L169 HydrophobicContact CB-CD1 4.18Å; L138-L169 HydrophobicContact CB-CD2 4.24Å; L138-L169 HydrophobicContact CD1-CD1 3.81Å; L138-L169 HydrophobicContact CG-CD1 4.4Å; L138-V177 HydrophobicContact CD1-CG2 4.43Å; L138-V177 HydrophobicContact CD2-CG2 4.34Å
139A98.3Very high97Very high10 Ų1063.1 Ų63.18%0.08330%0.304CS..Hα-helixtrans-62.1-47.4172.200000112.6L117 V121 T135 L136 R137 N141 Y142 I143L117-A139 HydrophobicContact CD1-CB 4.07Å; L117-A139 HydrophobicContact CD2-CB 4.09Å; L117-A139 HydrophobicContact CG-CB 4.35Å; V121-A139 HydrophobicContact CG2-CB 3.81Å; T135-A139 VanDerWaalsContact O-CB 3.27Å; T135-A139 WeakPolarHBondContact O-CB 3.45Å; T135-A139 PolarHBondContact O-N 3.31Å; L136-A139 PolarHBondContact O-N 2.93Å; R137-A139 VanDerWaalsContact C-N 3.33Å; R137-A139 PolarHBondContact O-N 3.28Å; A139-N141 VanDerWaalsContact C-N 3.34Å; A139-N141 PolarHBondContact O-N 3.39Å; A139-Y142 PolarHBondContact O-N 2.91Å; A139-I143 WeakPolarHBondContact O-CG1 3.42Å; A139-I143 PolarHBondContact O-N 2.89Å
140K98.3Very high97.2Very high152 Ų15264.6 Ų64.666%0.66132%0.317SS*.Hα-helixtrans-56.9-48.2174.3179.2-165.4173.1-173.10111.2L136 R137 Y142 I143 W144L136-K140 PolarHBondContact O-N 2.92Å; R137-K140 PolarHBondContact O-N 2.93Å; K140-Y142 VanDerWaalsContact C-N 3.32Å; K140-Y142 PolarHBondContact O-N 3.47Å; K140-I143 PolarHBondContact O-N 2.88Å; K140-W144 PolarHBondContact O-N 3.15Å
141N97.8Very high97.3Very high19 Ų1971.4 Ų71.410%0.10234%0.341CS..Hα-helixtrans-64.5-37.3-179.1-68.1-6.7000111.8R137 L138 A139 W144 A145 L165 K167R137-N141 WeakPolarHBondContact O-CB 3.16Å; R137-N141 PolarHBondContact O-N 3.29Å; R137-N141 PolarHBondContact O-OD1 3.24Å; L138-N141 PolarHBondContact O-N 2.89Å; A139-N141 VanDerWaalsContact C-N 3.34Å; A139-N141 PolarHBondContact O-N 3.39Å; N141-W144 PolarHBondContact O-N 3.2Å; N141-A145 WeakPolarHBondContact O-CB 3.26Å; N141-A145 PolarHBondContact O-N 2.88Å; N141-L165 WeakPolarHBondContact CB-O 3.29Å; N141-L165 PolarHBondContact ND2-O 3.31Å; N141-K167 PolarHBondContact ND2-O 3.1Å
142Y97.8Very high97.3Very high69 Ų6972.8 Ų72.827%0.27134%0.343SS..Hα-helixtrans-68.1-44.6176.7-176.7-138.1000112.4P122 L138 A139 K140 W144 A145 L146 F161 L165P122-Y142 VanDerWaalsContact CD-CD1 3.48Å; P122-Y142 HydrophobicContact CG-CD1 4.08Å; P122-Y142 HydrophobicContact CG-CD2 3.58Å; P122-Y142 HydrophobicContact CG-CE1 4.14Å; P122-Y142 HydrophobicContact CG-CE2 3.66Å; P122-Y142 HydrophobicContact CG-CG 3.78Å; L138-Y142 VanDerWaalsContact O-CB 3.3Å; L138-Y142 WeakPolarHBondContact O-CB 3.48Å; L138-Y142 PolarHBondContact O-N 3.4Å; A139-Y142 PolarHBondContact O-N 2.91Å; K140-Y142 VanDerWaalsContact C-N 3.32Å; K140-Y142 PolarHBondContact O-N 3.47Å; Y142-W144 VanDerWaalsContact C-N 3.33Å; Y142-W144 PolarHBondContact O-N 2.79Å; Y142-A145 PolarHBondContact O-N 3.34Å; Y142-L146 HydrophobicContact CD1-CD1 4.31Å; Y142-L146 HydrophobicContact CD2-CD1 4.13Å; Y142-L146 HydrophobicContact CD2-CD2 4.47Å; Y142-L146 HydrophobicContact CD2-CG 3.94Å; Y142-L146 HydrophobicContact CE1-CD1 3.93Å; Y142-L146 HydrophobicContact CE2-CD1 3.71Å; Y142-L146 HydrophobicContact CE2-CD2 3.83Å; Y142-L146 HydrophobicContact CE2-CG 3.68Å; Y142-L146 HydrophobicContact CG-CD1 4.43Å; Y142-L146 WeakPolarHBondContact O-CG 3.48Å; Y142-L146 PolarHBondContact O-N 3.22Å; Y142-F161 HydrophobicContact CD2-CZ 4.25Å; Y142-F161 HydrophobicContact CE2-CZ 4.12Å; Y142-L165 HydrophobicContact CD2-CD2 3.99Å; Y142-L165 HydrophobicContact CG-CD2 4.35Å
143I98.1Very high97.1Very high110 Ų11071 Ų7156%0.56435%0.354SS*.Hα-helixtrans-55.8-50.8172.9-67.9165.8000109.7A139 K140 A145 L146 S147A139-I143 WeakPolarHBondContact O-CG1 3.42Å; A139-I143 PolarHBondContact O-N 2.89Å; K140-I143 PolarHBondContact O-N 2.88Å; I143-A145 PolarHBondContact O-N 3.12Å; I143-L146 PolarHBondContact O-N 3.05Å; I143-S147 WeakPolarHBondContact O-CB 3.5Å; I143-S147 PolarHBondContact O-N 3.21Å; I143-S147 PolarHBondContact O-OG 3.01Å; I143-S147 VanDerWaalsContact O-OG 3.07Å
144W97.7Very high96.8Very high122 Ų12274 Ų7446%0.46236%0.364SS..Hα-helixtrans-59-44.3178.9-177.988.1000112.6K140 N141 Y142 L146 S147 E148 N164K140-W144 PolarHBondContact O-N 3.15Å; N141-W144 PolarHBondContact O-N 3.2Å; Y142-W144 VanDerWaalsContact C-N 3.33Å; Y142-W144 PolarHBondContact O-N 2.79Å; W144-L146 PolarHBondContact O-N 3.39Å; W144-S147 PolarHBondContact O-N 3.32Å; W144-E148 WeakPolarHBondContact O-CB 3.42Å; W144-E148 PolarHBondContact O-N 3.07Å; W144-N164 HydrophobicContact CE3-CB 4.27Å; W144-N164 HydrophobicContact CZ3-CB 3.79Å; W144-N164 VanDerWaalsContact CZ3-CG 3.4Å; W144-N164 WeakPolarHBondContact CZ3-OD1 3.49Å
145A96.2Very high96.5Very high4 Ų483.5 Ų83.53%0.03340%0.399CS..Hα-helixtrans-65.6-38.5179.200000112.6N141 Y142 I143 I149 F161 N164N141-A145 WeakPolarHBondContact O-CB 3.26Å; N141-A145 PolarHBondContact O-N 2.88Å; Y142-A145 PolarHBondContact O-N 3.34Å; I143-A145 PolarHBondContact O-N 3.12Å; A145-I149 WeakPolarHBondContact O-CD1 3.49Å; A145-I149 VanDerWaalsContact O-CG1 3.28Å; A145-I149 WeakPolarHBondContact O-CG1 3.39Å; A145-I149 PolarHBondContact O-N 3.16Å; A145-I149 VanDerWaalsContact O-N 3.09Å; A145-F161 HydrophobicContact CB-CD2 4.15Å; A145-F161 HydrophobicContact CB-CE2 3.86Å; A145-N164 HydrophobicContact CB-CB 4.39Å
146L96.8Very high96.1Very high68 Ų6885.3 Ų85.336%0.35641%0.411SS..Hα-helixtrans-69.2-42.4173.9-69.4-179000112.1Y142 I143 W144 E148 I149 L150Y142-L146 HydrophobicContact CD1-CD1 4.31Å; Y142-L146 HydrophobicContact CD2-CD1 4.13Å; Y142-L146 HydrophobicContact CD2-CD2 4.47Å; Y142-L146 HydrophobicContact CD2-CG 3.94Å; Y142-L146 HydrophobicContact CE1-CD1 3.93Å; Y142-L146 HydrophobicContact CE2-CD1 3.71Å; Y142-L146 HydrophobicContact CE2-CD2 3.83Å; Y142-L146 HydrophobicContact CE2-CG 3.68Å; Y142-L146 HydrophobicContact CG-CD1 4.43Å; Y142-L146 WeakPolarHBondContact O-CG 3.48Å; Y142-L146 PolarHBondContact O-N 3.22Å; I143-L146 PolarHBondContact O-N 3.05Å; W144-L146 PolarHBondContact O-N 3.39Å; L146-E148 VanDerWaalsContact C-N 3.27Å; L146-E148 PolarHBondContact O-N 3.47Å; L146-I149 HydrophobicContact CD2-CD1 4.25Å; L146-I149 WeakPolarHBondContact O-CB 3.36Å; L146-I149 PolarHBondContact O-N 3.33Å; L146-L150 WeakPolarHBondContact O-CG 3.44Å; L146-L150 PolarHBondContact O-N 3.44Å
147S97.3Very high95.8Very high67 Ų6785.6 Ų85.647%0.46941%0.413SS..Hα-helixtrans-58-40.6174-63.90000111.7I143 W144 L150 R151I143-S147 WeakPolarHBondContact O-CB 3.5Å; I143-S147 PolarHBondContact O-N 3.21Å; I143-S147 PolarHBondContact O-OG 3.01Å; I143-S147 VanDerWaalsContact O-OG 3.07Å; W144-S147 PolarHBondContact O-N 3.32Å; S147-L150 PolarHBondContact O-N 3.45Å; S147-R151 WeakPolarHBondContact O-CB 3.45Å; S147-R151 PolarHBondContact O-N 2.99Å
148E95.9Very high95.5Very high54 Ų5484 Ų8425%0.25241%0.412SS..Hα-helixtrans-69.8-37.7178.4-172.165.5175.700112.6W144 L146 L150 R151 I152W144-E148 WeakPolarHBondContact O-CB 3.42Å; W144-E148 PolarHBondContact O-N 3.07Å; L146-E148 VanDerWaalsContact C-N 3.27Å; L146-E148 PolarHBondContact O-N 3.47Å; E148-L150 PolarHBondContact O-N 3Å; E148-R151 PolarHBondContact O-N 3.39Å; E148-R151 IonicContact OE1-CZ 3.1Å; E148-R151 IonicContact OE1-NE 3.7Å; E148-R151 IonicContact OE1-NH2 2.74Å; E148-R151 PolarHBondContact OE1-NH2 3.23Å; E148-R151 IonicContact OE2-CZ 3.35Å; E148-R151 IonicContact OE2-NE 2.8Å; E148-R151 PolarHBondContact OE2-NE 3.45Å; E148-R151 IonicContact OE2-NH2 3.48Å; E148-R151 PolarHBondContact OE2-NH2 3.24Å; E148-I152 HydrophobicContact CG-CD1 3.89Å; E148-I152 HydrophobicContact CG-CG1 4.46Å; E148-I152 WeakPolarHBondContact O-CG1 3.4Å; E148-I152 PolarHBondContact O-N 2.99Å; E148-I152 WeakPolarHBondContact OE1-CD1 3.34Å
149I96.4Very high95.2Very high41 Ų4186.8 Ų86.821%0.2143%0.426CS..Hα-helixtrans-57.9-48171-73160.4000110.9A145 L146 R151 G153 P156 F161A145-I149 WeakPolarHBondContact O-CD1 3.49Å; A145-I149 VanDerWaalsContact O-CG1 3.28Å; A145-I149 WeakPolarHBondContact O-CG1 3.39Å; A145-I149 PolarHBondContact O-N 3.16Å; A145-I149 VanDerWaalsContact O-N 3.09Å; L146-I149 HydrophobicContact CD2-CD1 4.25Å; L146-I149 WeakPolarHBondContact O-CB 3.36Å; L146-I149 PolarHBondContact O-N 3.33Å; I149-R151 VanDerWaalsContact C-N 3.34Å; I149-G153 PolarHBondContact O-N 3.49Å; I149-P156 HydrophobicContact CD1-CG 4.23Å; I149-P156 VanDerWaalsContact CG1-CD 3.4Å; I149-P156 HydrophobicContact CG1-CG 3.98Å; I149-F161 HydrophobicContact CD1-CD2 4.14Å; I149-F161 HydrophobicContact CD1-CE2 4.02Å
150L96.9Very high94.9Very high147 Ų14789.1 Ų89.177%0.7744%0.44SS*.Hα-helixtrans-65.9-36.6179.3-67.3171.8000111.9L146 S147 E148L146-L150 WeakPolarHBondContact O-CG 3.44Å; L146-L150 PolarHBondContact O-N 3.44Å; S147-L150 PolarHBondContact O-N 3.45Å; E148-L150 PolarHBondContact O-N 3Å
151R96.6Very high94.7Very high169 Ų16983.3 Ų83.364%0.63842%0.415SS*.Hα-helixtrans-70.2-40.4178.5-168-166.167.574.3-2.3113.1S147 E148 I149S147-R151 WeakPolarHBondContact O-CB 3.45Å; S147-R151 PolarHBondContact O-N 2.99Å; E148-R151 PolarHBondContact O-N 3.39Å; E148-R151 IonicContact OE1-CZ 3.1Å; E148-R151 IonicContact OE1-NE 3.7Å; E148-R151 IonicContact OE1-NH2 2.74Å; E148-R151 PolarHBondContact OE1-NH2 3.23Å; E148-R151 IonicContact OE2-CZ 3.35Å; E148-R151 IonicContact OE2-NE 2.8Å; E148-R151 PolarHBondContact OE2-NE 3.45Å; E148-R151 IonicContact OE2-NH2 3.48Å; E148-R151 PolarHBondContact OE2-NH2 3.24Å; I149-R151 VanDerWaalsContact C-N 3.34Å
152I94.8Very high94.6Very high85 Ų8582.5 Ų82.544%0.43641%0.41SS..Hα-helixtrans-80.7-27.8179.5-63.4175.3000111.3E148 K154E148-I152 HydrophobicContact CG-CD1 3.89Å; E148-I152 HydrophobicContact CG-CG1 4.46Å; E148-I152 WeakPolarHBondContact O-CG1 3.4Å; E148-I152 PolarHBondContact O-N 2.99Å; E148-I152 WeakPolarHBondContact OE1-CD1 3.34Å; I152-K154 HydrophobicContact CG2-CB 3.88Å; I152-K154 HydrophobicContact CG2-CD 4.46Å; I152-K154 HydrophobicContact CG2-CG 4.17Å; I152-K154 PolarHBondContact O-N 3.33Å
153G94.3Very high94.4Very high67 Ų6783.8 Ų83.869%0.69142%0.419SS*.THydrogen-bonded Turntrans70.413.3-172.700000113.6I149I149-G153 PolarHBondContact O-N 3.49Å
154K91.6Very high94.2Very high156 Ų15679.7 Ų79.768%0.67840%0.398SS*.SBendtrans-131.3144178.1-59.3-177.9-179.6179.40110.2I152I152-K154 HydrophobicContact CG2-CB 3.88Å; I152-K154 HydrophobicContact CG2-CD 4.46Å; I152-K154 HydrophobicContact CG2-CG 4.17Å; I152-K154 PolarHBondContact O-N 3.33Å
155R90.1Very high94.1Very high207 Ų20773.9 Ų73.978%0.78138%0.376SS*.PPolyproline II helixtrans-72125171.6-173178.7175.387.41.4109
156P90.4Very high94.1Very high39 Ų3974.5 Ų74.525%0.25338%0.38SS..PPolyproline II helixtrans-67.2159.617329.8-36.6000110.2I149 T160 F161I149-P156 HydrophobicContact CD1-CG 4.23Å; I149-P156 VanDerWaalsContact CG1-CD 3.4Å; I149-P156 HydrophobicContact CG1-CG 3.98Å; P156-T160 HydrophobicContact CB-CG2 4.24Å; P156-F161 HydrophobicContact CG-CB 4.17Å; P156-F161 HydrophobicContact CG-CD2 4.34Å
157D91.4Very high94Very high103 Ų10376.2 Ų76.255%0.55139%0.385SS*.PPolyproline II helixtrans-56.2150.3166.4176.849.8000111.3L159 T160 F161D157-L159 VanDerWaalsContact C-N 3.29Å; D157-L159 PolarHBondContact O-N 2.86Å; D157-L159 VanDerWaalsContact OD2-CB 3.24Å; D157-L159 WeakPolarHBondContact OD2-CB 3.4Å; D157-L159 PolarHBondContact OD2-N 3.25Å; D157-L159 VanDerWaalsContact OD2-N 3.09Å; D157-T160 WeakPolarHBondContact O-CB 3.41Å; D157-T160 PolarHBondContact O-N 3.45Å; D157-F161 PolarHBondContact O-N 2.96Å
158L91.1Very high94Very high74 Ų7475.9 Ų75.939%0.38739%0.392SS..Hα-helixtrans-58.8-40.9-178.1178.761.3000111.4F161 V162 L183L158-F161 PolarHBondContact O-N 3.48Å; L158-V162 HydrophobicContact CD1-CG2 4.25Å; L158-V162 HydrophobicContact CG-CG2 4.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.5Å; L158-V162 PolarHBondContact O-N 3.45Å; L158-L183 HydrophobicContact CD2-CD2 3.83Å; L158-L183 HydrophobicContact CG-CD2 3.94Å
159L91.9Very high94Very high59 Ų5974.3 Ų74.331%0.30939%0.385SS..Hα-helixtrans-63.8-45.7178.9-176.761.1000110.8D157 F161 V162 Q163 F188D157-L159 VanDerWaalsContact C-N 3.29Å; D157-L159 PolarHBondContact O-N 2.86Å; D157-L159 VanDerWaalsContact OD2-CB 3.24Å; D157-L159 WeakPolarHBondContact OD2-CB 3.4Å; D157-L159 PolarHBondContact OD2-N 3.25Å; D157-L159 VanDerWaalsContact OD2-N 3.09Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-F161 PolarHBondContact O-N 2.92Å; L159-V162 PolarHBondContact O-N 3.09Å; L159-Q163 HydrophobicContact CD1-CG 4.46Å; L159-Q163 HydrophobicContact CG-CG 4.5Å; L159-Q163 WeakPolarHBondContact O-CB 3.45Å; L159-Q163 VanDerWaalsContact O-CG 3.27Å; L159-Q163 WeakPolarHBondContact O-CG 3.34Å; L159-Q163 PolarHBondContact O-N 2.89Å; L159-F188 HydrophobicContact CD1-CZ 4.17Å
160T92.5Very high94Very high59 Ų5974.6 Ų74.636%0.36239%0.391SS..Hα-helixtrans-60-43.4175.4-57.30000111.5P156 D157 Q163 N164P156-T160 HydrophobicContact CB-CG2 4.24Å; D157-T160 WeakPolarHBondContact O-CB 3.41Å; D157-T160 PolarHBondContact O-N 3.45Å; T160-Q163 PolarHBondContact O-N 2.99Å; T160-N164 WeakPolarHBondContact O-CB 3.33Å; T160-N164 PolarHBondContact O-N 3.36Å; T160-N164 PolarHBondContact O-ND2 3.05Å
161F94.1Very high93.9Very high30 Ų3073.5 Ų73.513%0.13238%0.381CS..Hα-helixtrans-61.5-45.3176.7-176.5-108.1000112.1Y142 A145 I149 P156 D157 L158 L159 N164 L165Y142-F161 HydrophobicContact CD2-CZ 4.25Å; Y142-F161 HydrophobicContact CE2-CZ 4.12Å; A145-F161 HydrophobicContact CB-CD2 4.15Å; A145-F161 HydrophobicContact CB-CE2 3.86Å; I149-F161 HydrophobicContact CD1-CD2 4.14Å; I149-F161 HydrophobicContact CD1-CE2 4.02Å; P156-F161 HydrophobicContact CG-CB 4.17Å; P156-F161 HydrophobicContact CG-CD2 4.34Å; D157-F161 PolarHBondContact O-N 2.96Å; L158-F161 PolarHBondContact O-N 3.48Å; L159-F161 VanDerWaalsContact C-N 3.35Å; L159-F161 PolarHBondContact O-N 2.92Å; F161-N164 WeakPolarHBondContact O-CB 3.35Å; F161-N164 PolarHBondContact O-N 3.2Å; F161-L165 HydrophobicContact CD1-CD1 4.02Å; F161-L165 HydrophobicContact CE1-CD1 3.53Å; F161-L165 HydrophobicContact CE1-CG 4.18Å; F161-L165 HydrophobicContact CZ-CD1 3.99Å; F161-L165 HydrophobicContact CZ-CD2 4.39Å; F161-L165 HydrophobicContact CZ-CG 4.28Å; F161-L165 WeakPolarHBondContact O-CG 3.45Å; F161-L165 PolarHBondContact O-N 2.89Å
162V93.9Very high93.7Very high2 Ų269.4 Ų69.41%0.01238%0.377CS..Hα-helixtrans-62.5-49.9175.7172.60000111.1L158 L159 N164 L165 C166 V177 L181 L183L158-V162 HydrophobicContact CD1-CG2 4.25Å; L158-V162 HydrophobicContact CG-CG2 4.46Å; L158-V162 WeakPolarHBondContact O-CG2 3.5Å; L158-V162 PolarHBondContact O-N 3.45Å; L159-V162 PolarHBondContact O-N 3.09Å; V162-N164 PolarHBondContact O-N 2.99Å; V162-L165 WeakPolarHBondContact O-CA 3.21Å; V162-L165 WeakPolarHBondContact O-CB 3.47Å; V162-L165 PolarHBondContact O-N 2.98Å; V162-C166 WeakPolarHBondContact O-CB 3Å; V162-C166 PolarHBondContact O-N 3.4Å; V162-C166 PolarHBondContact O-SG 3.41Å; V162-C166 VanDerWaalsContact O-SG 3.36Å; V162-V177 HydrophobicContact CG1-CG1 4.38Å; V162-L181 HydrophobicContact CG2-CB 4.4Å; V162-L181 HydrophobicContact CG2-CD1 3.66Å; V162-L183 HydrophobicContact CB-CD1 3.89Å; V162-L183 HydrophobicContact CG1-CD1 3.39Å; V162-L183 HydrophobicContact CG2-CD1 3.47Å; V162-L183 VanDerWaalsContact CG2-CD1 3.47Å; V162-L183 HydrophobicContact CG2-CD2 3.9Å; V162-L183 HydrophobicContact CG2-CG 4.18Å
163Q93.5Very high93.7Very high97 Ų9765.8 Ų65.845%0.45336%0.359SS..Hα-helixtrans-54.7-38.5179.3-77174.6-5.300110.7L159 T160 K167L159-Q163 HydrophobicContact CD1-CG 4.46Å; L159-Q163 HydrophobicContact CG-CG 4.5Å; L159-Q163 WeakPolarHBondContact O-CB 3.45Å; L159-Q163 VanDerWaalsContact O-CG 3.27Å; L159-Q163 WeakPolarHBondContact O-CG 3.34Å; L159-Q163 PolarHBondContact O-N 2.89Å; T160-Q163 PolarHBondContact O-N 2.99Å; Q163-K167 WeakPolarHBondContact O-CG 3.39Å; Q163-K167 PolarHBondContact O-N 3.3Å
164N94.6Very high93.7Very high23 Ų2363.8 Ų63.812%0.12333%0.333CS..Hα-helixtrans-68-41.5174.6-68.4-33.2000113.4W144 A145 T160 F161 V162 K167W144-N164 HydrophobicContact CE3-CB 4.27Å; W144-N164 HydrophobicContact CZ3-CB 3.79Å; W144-N164 VanDerWaalsContact CZ3-CG 3.4Å; W144-N164 WeakPolarHBondContact CZ3-OD1 3.49Å; A145-N164 HydrophobicContact CB-CB 4.39Å; T160-N164 WeakPolarHBondContact O-CB 3.33Å; T160-N164 PolarHBondContact O-N 3.36Å; T160-N164 PolarHBondContact O-ND2 3.05Å; F161-N164 WeakPolarHBondContact O-CB 3.35Å; F161-N164 PolarHBondContact O-N 3.2Å; V162-N164 PolarHBondContact O-N 2.99Å; N164-K167 VanDerWaalsContact OD1-CE 3.22Å; N164-K167 WeakPolarHBondContact OD1-CE 3.28Å; N164-K167 PolarHBondContact OD1-NZ 3Å
165L96Very high93.7Very high0 Ų060.8 Ų60.80%033%0.325CS..Hα-helixtrans-63.3-41.6173.3-71.7-179.1000112.7P122 L138 N141 Y142 F161 V162 K167 L169 V177 L181P122-L165 HydrophobicContact CB-CD1 4.1Å; P122-L165 HydrophobicContact CG-CD1 4.13Å; P122-L165 HydrophobicContact CG-CD2 4.23Å; L138-L165 HydrophobicContact CD1-CB 3.93Å; L138-L165 HydrophobicContact CD1-CD2 4.08Å; L138-L165 HydrophobicContact CD1-CG 4.47Å; N141-L165 WeakPolarHBondContact CB-O 3.29Å; N141-L165 PolarHBondContact ND2-O 3.31Å; Y142-L165 HydrophobicContact CD2-CD2 3.99Å; Y142-L165 HydrophobicContact CG-CD2 4.35Å; F161-L165 HydrophobicContact CD1-CD1 4.02Å; F161-L165 HydrophobicContact CE1-CD1 3.53Å; F161-L165 HydrophobicContact CE1-CG 4.18Å; F161-L165 HydrophobicContact CZ-CD1 3.99Å; F161-L165 HydrophobicContact CZ-CD2 4.39Å; F161-L165 HydrophobicContact CZ-CG 4.28Å; F161-L165 WeakPolarHBondContact O-CG 3.45Å; F161-L165 PolarHBondContact O-N 2.89Å; V162-L165 WeakPolarHBondContact O-CA 3.21Å; V162-L165 WeakPolarHBondContact O-CB 3.47Å; V162-L165 PolarHBondContact O-N 2.98Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 2.66Å; L165-L169 WeakPolarHBondContact O-CD1 3.5Å; L165-V177 HydrophobicContact CD1-CG1 4.47Å; L165-L181 HydrophobicContact CD1-CD1 4.03Å
166C95.6Very high93.7Very high17 Ų1752.4 Ų52.412%0.11530%0.295CS..THydrogen-bonded Turntrans-81.4-3.4-171.2-63.70000115.2V162 G168 L169 T174V162-C166 WeakPolarHBondContact O-CB 3Å; V162-C166 PolarHBondContact O-N 3.4Å; V162-C166 PolarHBondContact O-SG 3.41Å; V162-C166 VanDerWaalsContact O-SG 3.36Å; C166-G168 PolarHBondContact O-N 2.87Å; C166-L169 PolarHBondContact O-N 3.37Å; C166-L169 VanDerWaalsContact O-N 3.09Å; C166-T174 HydrophobicContact CB-CG2 4.13Å
167K95.6Very high93.8Very high105 Ų10550.6 Ų50.646%0.45728%0.283SS..THydrogen-bonded Turntrans-56.3114.4-177.3-63.8-174.2178.21610111.9N141 Q163 N164 L165 L169N141-K167 PolarHBondContact ND2-O 3.1Å; Q163-K167 WeakPolarHBondContact O-CG 3.39Å; Q163-K167 PolarHBondContact O-N 3.3Å; N164-K167 VanDerWaalsContact OD1-CE 3.22Å; N164-K167 WeakPolarHBondContact OD1-CE 3.28Å; N164-K167 PolarHBondContact OD1-NZ 3Å; L165-K167 VanDerWaalsContact C-N 3.34Å; L165-K167 PolarHBondContact O-N 2.66Å; K167-L169 VanDerWaalsContact C-N 3.29Å; K167-L169 PolarHBondContact O-N 3.18Å
168G96.1Very high93.7Very high60 Ų6046.5 Ų46.562%0.61926%0.264SS*.THydrogen-bonded Turntrans72.415.5177.200000115.3R137 C166R137-G168 WeakPolarHBondContact CD-O 3.28Å; R137-G168 PolarHBondContact NH1-O 3.29Å; C166-G168 PolarHBondContact O-N 2.87Å
169L96.4Very high93.5Very high20 Ų2045.6 Ų45.611%0.10527%0.273CS..  trans-83.1155.6169.2-57.6-175.9000111R137 L138 L165 C166 K167 T173 V177R137-L169 HydrophobicContact CB-CD2 3.49Å; R137-L169 VanDerWaalsContact CB-CD2 3.49Å; L138-L169 HydrophobicContact CB-CD1 4.18Å; L138-L169 HydrophobicContact CB-CD2 4.24Å; L138-L169 HydrophobicContact CD1-CD1 3.81Å; L138-L169 HydrophobicContact CG-CD1 4.4Å; L165-L169 WeakPolarHBondContact O-CD1 3.5Å; C166-L169 PolarHBondContact O-N 3.37Å; C166-L169 VanDerWaalsContact O-N 3.09Å; K167-L169 VanDerWaalsContact C-N 3.29Å; K167-L169 PolarHBondContact O-N 3.18Å; L169-T173 HydrophobicContact CB-CG2 4.05Å; L169-T173 HydrophobicContact CD1-CG2 3.61Å; L169-T173 HydrophobicContact CD2-CG2 4.43Å; L169-T173 HydrophobicContact CG-CG2 4.24Å; L169-V177 HydrophobicContact CD1-CG2 4.5Å
170S95.9Very high93.2Very high48 Ų4845.8 Ų45.834%0.33628%0.278SS..  trans-69151.5172.864.40000111.6E134 P172 T173 T174E134-S170 WeakPolarHBondContact OE2-CB 3.47Å; E134-S170 PolarHBondContact OE2-N 3.08Å; E134-S170 PolarHBondContact OE2-OG 2.81Å; S170-P172 VanDerWaalsContact C-CD 3.47Å; S170-P172 VanDerWaalsContact C-N 3.34Å; S170-T173 WeakPolarHBondContact O-CA 3.42Å; S170-T173 WeakPolarHBondContact O-CB 3.41Å; S170-T173 PolarHBondContact O-N 2.83Å; S170-T173 PolarHBondContact OG-OG1 2.95Å; S170-T173 VanDerWaalsContact OG-OG1 3.05Å; S170-T174 PolarHBondContact O-N 3.09Å; S170-T174 PolarHBondContact O-OG1 3.48Å
171Q94.6Very high92.9Very high123 Ų12345.2 Ų45.258%0.57527%0.272SS*.Hα-helixtrans-53-41.5-179.2-168.964.238.200113.9T173 T174 N175Q171-T173 VanDerWaalsContact C-N 3.34Å; Q171-T173 PolarHBondContact O-N 3.19Å; Q171-T174 PolarHBondContact O-N 3.41Å; Q171-N175 PolarHBondContact NE2-OD1 3.03Å; Q171-N175 WeakPolarHBondContact O-CB 3.45Å; Q171-N175 PolarHBondContact O-N 2.76Å; Q171-N175 PolarHBondContact O-OD1 3.48Å
172P93.2Very high92Very high83 Ų8351.9 Ų51.954%0.53930%0.304SS..Hα-helixtrans-62.3-38.3175.3-23.535.7000113.2S170 N175 L176S170-P172 VanDerWaalsContact C-CD 3.47Å; S170-P172 VanDerWaalsContact C-N 3.34Å; P172-N175 PolarHBondContact O-N 2.76Å; P172-L176 PolarHBondContact O-N 3.21Å
173T94Very high90.8Very high10 Ų1053.3 Ų53.36%0.06131%0.311CS..Hα-helixtrans-66.6-44.5174.3-56.10000111L130 E134 L169 S170 Q171 N175 L176 V177L130-T173 HydrophobicContact CD1-CG2 4.44Å; L130-T173 HydrophobicContact CD2-CG2 3.78Å; E134-T173 VanDerWaalsContact OE2-CB 3.26Å; E134-T173 WeakPolarHBondContact OE2-CB 3.37Å; E134-T173 PolarHBondContact OE2-OG1 2.94Å; L169-T173 HydrophobicContact CB-CG2 4.05Å; L169-T173 HydrophobicContact CD1-CG2 3.61Å; L169-T173 HydrophobicContact CD2-CG2 4.43Å; L169-T173 HydrophobicContact CG-CG2 4.24Å; S170-T173 WeakPolarHBondContact O-CA 3.42Å; S170-T173 WeakPolarHBondContact O-CB 3.41Å; S170-T173 PolarHBondContact O-N 2.83Å; S170-T173 PolarHBondContact OG-OG1 2.95Å; S170-T173 VanDerWaalsContact OG-OG1 3.05Å; Q171-T173 VanDerWaalsContact C-N 3.34Å; Q171-T173 PolarHBondContact O-N 3.19Å; T173-N175 VanDerWaalsContact C-N 3.3Å; T173-N175 PolarHBondContact O-N 3.42Å; T173-L176 WeakPolarHBondContact O-CB 3.09Å; T173-L176 PolarHBondContact O-N 3.14Å; T173-L176 VanDerWaalsContact O-N 3.14Å; T173-V177 WeakPolarHBondContact O-CG2 3.43Å; T173-V177 PolarHBondContact O-N 3.1Å
174T94.1Very high89Confident24 Ų2455 Ų5515%0.14732%0.324CS..Hα-helixtrans-59.1-41.5176.1-61.40000111.5C166 S170 Q171 V177 A178C166-T174 HydrophobicContact CB-CG2 4.13Å; S170-T174 PolarHBondContact O-N 3.09Å; S170-T174 PolarHBondContact O-OG1 3.48Å; Q171-T174 PolarHBondContact O-N 3.41Å; T174-V177 PolarHBondContact O-N 2.74Å; T174-A178 WeakPolarHBondContact O-CB 3.5Å; T174-A178 PolarHBondContact O-N 3.11Å
175N92.1Very high87.2Confident94 Ų9458.1 Ų58.150%0.50335%0.353SS..Hα-helixtrans-64.6-40.2174.8-67.7-5.4000112Q171 P172 T173 A178 G179Q171-N175 PolarHBondContact NE2-OD1 3.03Å; Q171-N175 WeakPolarHBondContact O-CB 3.45Å; Q171-N175 PolarHBondContact O-N 2.76Å; Q171-N175 PolarHBondContact O-OD1 3.48Å; P172-N175 PolarHBondContact O-N 2.76Å; T173-N175 VanDerWaalsContact C-N 3.3Å; T173-N175 PolarHBondContact O-N 3.42Å; N175-A178 PolarHBondContact O-N 2.77Å; N175-G179 PolarHBondContact O-N 2.96Å
176L91.5Very high85.2Confident30 Ų3068.7 Ų68.716%0.15739%0.393CS..Hα-helixtrans-63.5-42.8174.3179.863.4000111.4L130 P172 T173 G179 C180L130-L176 HydrophobicContact CD2-CD2 4Å; P172-L176 PolarHBondContact O-N 3.21Å; T173-L176 WeakPolarHBondContact O-CB 3.09Å; T173-L176 PolarHBondContact O-N 3.14Å; T173-L176 VanDerWaalsContact O-N 3.14Å; L176-G179 PolarHBondContact O-N 3.1Å; L176-C180 WeakPolarHBondContact O-CB 3.05Å; L176-C180 PolarHBondContact O-N 2.87Å; L176-C180 PolarHBondContact O-SG 3.07Å; L176-C180 VanDerWaalsContact O-SG 3.4Å
177V92.2Very high83.3Confident1 Ų171.8 Ų71.81%0.00642%0.415CS..Hα-helixtrans-62.4-44.1175.9174.20000111.2C123 L138 V162 L165 L169 T173 T174 G179 C180 L181C123-V177 HydrophobicContact CB-CG2 4.26Å; C123-V177 VanDerWaalsContact SG-CA 3.59Å; L138-V177 HydrophobicContact CD1-CG2 4.43Å; L138-V177 HydrophobicContact CD2-CG2 4.34Å; V162-V177 HydrophobicContact CG1-CG1 4.38Å; L165-V177 HydrophobicContact CD1-CG1 4.47Å; L169-V177 HydrophobicContact CD1-CG2 4.5Å; T173-V177 WeakPolarHBondContact O-CG2 3.43Å; T173-V177 PolarHBondContact O-N 3.1Å; T174-V177 PolarHBondContact O-N 2.74Å; V177-G179 PolarHBondContact O-N 2.74Å; V177-C180 PolarHBondContact O-N 3.09Å; V177-L181 HydrophobicContact CG1-CD1 3.8Å; V177-L181 WeakPolarHBondContact O-CB 3.49Å; V177-L181 WeakPolarHBondContact O-CG 3.45Å; V177-L181 PolarHBondContact O-N 3.49Å
178A88.6Confident81.2Confident18 Ų1872 Ų7215%0.14942%0.416CS..Hα-helixtrans-61.9-41.1175.800000112.6T174 N175 L181 Q182 L183T174-A178 WeakPolarHBondContact O-CB 3.5Å; T174-A178 PolarHBondContact O-N 3.11Å; N175-A178 PolarHBondContact O-N 2.77Å; A178-L181 CarbonylContact O-C 3.58Å; A178-L181 PolarHBondContact O-N 2.81Å; A178-Q182 PolarHBondContact O-N 3.05Å; A178-Q182 VanDerWaalsContact O-N 3.08Å; A178-L183 HydrophobicContact CB-CB 4.2Å; A178-L183 HydrophobicContact CB-CD1 3.93Å; A178-L183 HydrophobicContact CB-CG 4.37Å; A178-L183 PolarHBondContact O-N 3.37Å
179G87.1Confident79.1Confident55 Ų5576.6 Ų76.657%0.56743%0.425SS*.Hα-helixtrans-66-45.1175.700000113N175 L176 V177 L181 Q182N175-G179 PolarHBondContact O-N 2.96Å; L176-G179 PolarHBondContact O-N 3.1Å; V177-G179 PolarHBondContact O-N 2.74Å; G179-L181 VanDerWaalsContact C-N 3.27Å; G179-L181 PolarHBondContact O-N 2.8Å; G179-Q182 PolarHBondContact O-N 3.31Å
180C86.3Confident76.4Confident63 Ų6384.3 Ų84.343%0.42646%0.463SS..Hα-helixtrans-68.2-23.5177.4-72.50000113.8C123 L176 V177C123-C180 HydrophobicContact CB-CB 3.61Å; C123-C180 VanDerWaalsContact SG-CB 3.56Å; L176-C180 WeakPolarHBondContact O-CB 3.05Å; L176-C180 PolarHBondContact O-N 2.87Å; L176-C180 PolarHBondContact O-SG 3.07Å; L176-C180 VanDerWaalsContact O-SG 3.4Å; V177-C180 PolarHBondContact O-N 3.09Å
181L84.7Confident73.6Confident46 Ų4684.8 Ų84.824%0.24148%0.476CS..THydrogen-bonded Turntrans-104.812.9177.6-62.5175.6000113.3V162 L165 V177 A178 G179 L183V162-L181 HydrophobicContact CG2-CB 4.4Å; V162-L181 HydrophobicContact CG2-CD1 3.66Å; L165-L181 HydrophobicContact CD1-CD1 4.03Å; V177-L181 HydrophobicContact CG1-CD1 3.8Å; V177-L181 WeakPolarHBondContact O-CB 3.49Å; V177-L181 WeakPolarHBondContact O-CG 3.45Å; V177-L181 PolarHBondContact O-N 3.49Å; A178-L181 CarbonylContact O-C 3.58Å; A178-L181 PolarHBondContact O-N 2.81Å; G179-L181 VanDerWaalsContact C-N 3.27Å; G179-L181 PolarHBondContact O-N 2.8Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 HydrophobicContact CB-CD2 4.42Å; L181-L183 HydrophobicContact CB-CG 4.32Å; L181-L183 PolarHBondContact O-N 3.49Å
182Q75.9Confident71.2Confident171 Ų17188.9 Ų88.980%0.79950%0.495SS*.THydrogen-bonded Turntrans49.243.5177.2-62.2-173.2-6500114.6A178 G179 N184A178-Q182 PolarHBondContact O-N 3.05Å; A178-Q182 VanDerWaalsContact O-N 3.08Å; G179-Q182 PolarHBondContact O-N 3.31Å; Q182-N184 PolarHBondContact O-N 3.48Å
183L68.9Low68.5Low31 Ų3188.8 Ų88.816%0.16251%0.509CS..  trans-78.3109.7175.1-50.3178.7000109L158 V162 A178 L181 A185 F188L158-L183 HydrophobicContact CD2-CD2 3.83Å; L158-L183 HydrophobicContact CG-CD2 3.94Å; V162-L183 HydrophobicContact CB-CD1 3.89Å; V162-L183 HydrophobicContact CG1-CD1 3.39Å; V162-L183 HydrophobicContact CG2-CD1 3.47Å; V162-L183 VanDerWaalsContact CG2-CD1 3.47Å; V162-L183 HydrophobicContact CG2-CD2 3.9Å; V162-L183 HydrophobicContact CG2-CG 4.18Å; A178-L183 HydrophobicContact CB-CB 4.2Å; A178-L183 HydrophobicContact CB-CD1 3.93Å; A178-L183 HydrophobicContact CB-CG 4.37Å; A178-L183 PolarHBondContact O-N 3.37Å; L181-L183 VanDerWaalsContact C-N 3.29Å; L181-L183 HydrophobicContact CB-CD2 4.42Å; L181-L183 HydrophobicContact CB-CG 4.32Å; L181-L183 PolarHBondContact O-N 3.49Å; L183-A185 PolarHBondContact O-N 3.35Å; L183-F188 HydrophobicContact CB-CE2 4.46Å; L183-F188 HydrophobicContact CD1-CE2 4.02Å; L183-F188 HydrophobicContact CD1-CZ 4.32Å
184N54.8Low65.8Low133 Ų13391.8 Ų91.871%0.71154%0.542SS*.  trans-55.1125.6173.7-75-53.6000109.7Q182 R186 S187Q182-N184 PolarHBondContact O-N 3.48Å; N184-R186 PolarHBondContact O-N 3.27Å; N184-S187 PolarHBondContact O-N 3.35Å; N184-S187 VanDerWaalsContact O-N 3.14Å
185A56.7Low63.2Low89 Ų8999.9 Ų99.974%0.73658%0.578SS**G310 helixtrans-57.9-10.2-171.800000115.2L183L183-A185 PolarHBondContact O-N 3.35Å
186R55.3Low60.7Low221 Ų22199.8 Ų99.883%0.83459%0.59SS**G310 helixtrans-70.4-21.7176-72.7-177.1165.3166.1-4.5114.5N184 F188N184-R186 PolarHBondContact O-N 3.27Å; R186-F188 VanDerWaalsContact C-N 3.32Å; R186-F188 PolarHBondContact O-N 3.12Å
187S55.9Low58.3Low83 Ų83102.1 Ų102.158%0.5861%0.614SS**G310 helixtrans-76.5-8.7-176.2-65.90000115.8N184N184-S187 PolarHBondContact O-N 3.35Å; N184-S187 VanDerWaalsContact O-N 3.14Å
188F50.9Low56.1Low108 Ų108110.1 Ų110.147%0.47465%0.651SS.*G310 helixtrans-107.4-0.4-171.6-78.5-79.1000115.8L159 L183 R186L159-F188 HydrophobicContact CD1-CZ 4.17Å; L183-F188 HydrophobicContact CB-CE2 4.46Å; L183-F188 HydrophobicContact CD1-CE2 4.02Å; L183-F188 HydrophobicContact CD1-CZ 4.32Å; R186-F188 VanDerWaalsContact C-N 3.32Å; R186-F188 PolarHBondContact O-N 3.12Å
189L51.2Low53.8Low158 Ų158118.1 Ų118.183%0.82769%0.685SS**SBendtrans-117.6-0.1-176.2-86.5167.1000115.4
190M40.2Very low52.2Low182 Ų182122.3 Ų122.390%0.89770%0.699SS**  trans-109.176.3179.4-67.3-177.672.400110.9
191G38Very low50.1Low58 Ų58131 Ų13160%0.59872%0.723SS**SBendtrans-170.596.9175.900000111.2
192Q44.6Very low48.2Very low208 Ų208134 Ų13497%0.97275%0.748SS**SBendtrans80.7100.8-171.5-52.3169.68900114.4
193G35.2Very low46.7Very low81 Ų81130.9 Ų130.984%0.83574%0.743SS**  trans159.795.1171.900000114.7
194G37.7Very low45.7Very low74 Ų74140.6 Ų140.676%0.76378%0.779SS**  trans-5145167.700000123.7
195E39.2Very low45.3Very low194 Ų194138.7 Ų138.791%0.90778%0.776SS**  trans76.4145.3143.9-71.5-74.5108.900120.9
196A40.1Very low44.8Very low91 Ų91139.8 Ų139.875%0.75277%0.774SS**  trans69.398.1162.300000120.7
197A40.9Very low44.9Very low80 Ų80138.1 Ų138.166%0.66177%0.773SS**  103.8145.8122.900000121.4
198H45Very low44.7Very low168 Ų168144.7 Ų144.778%0.77879%0.787SS**  trans82.487.4167.3-52.5-59.7000118.7
199H41.3Very low45.2Very low187 Ų187144.8 Ų144.887%0.86680%0.798SS**  trans-44.9127.7168-35.7-79.1000114.6
200T52.7Low45.6Very low142 Ų142143.4 Ų143.487%0.87180%0.799SS**  trans-128.5128.8146.752.40000109.6
201R42.1Very low46.2Very low245 Ų245146 Ų14693%0.92580%0.8SS**  trans-79.5119.2-167.9173.8-176.1178.9-175.10.6110.9
202S45.6Very low46.8Very low109 Ų109151.7 Ų151.776%0.76281%0.811SS**  trans-116.2123.5167.9-176.40000110.2Y204S202-Y204 PolarHBondContact O-N 3.43Å
203P44.5Very low47Very low107 Ų107147.2 Ų147.270%0.69580%0.803SS**  trans-99.180.5-176.737.3-31.9000111.9
204Y48.6Very low47.8Very low234 Ų234148.1 Ų148.192%0.91879%0.794SS**  trans-130.9105.8154-106-83000110.3S202S202-Y204 PolarHBondContact O-N 3.43Å
205S46.3Very low47.9Very low93 Ų93153 Ų15365%0.6580%0.797SS**  trans-86125.9-168.7-170.40000111.6
206T45.8Very low48.5Very low113 Ų113151 Ų15169%0.69379%0.792SS**  54.996.3128.2-44.70000118.7
207F56.3Low48.7Very low185 Ų185152.7 Ų152.781%0.81179%0.793SS**  trans-142.2131.6142.2-61.3-76.6000110
208Y52.5Low49.2Very low221 Ų221155 Ų15587%0.86780%0.799SS**  trans74.8115.8173.6-56.8-76.4000120
209P60.6Low49.5Very low110 Ų110152.5 Ų152.571%0.71480%0.798SS**PPolyproline II helixtrans-85.1159.9156.535.7-32.1000111.6
210P59.7Low49.9Very low130 Ų130149.8 Ų149.884%0.84480%0.796SS**PPolyproline II helixtrans-80.3142.3178.9-0.218000112.1
211Y53.1Low49.8Very low235 Ų235146.9 Ų146.992%0.92279%0.794SS**PPolyproline II helixtrans-74.3132.1175-90.2-94.7000112.4
212H51.2Low50.1Low179 Ų179143.9 Ų143.983%0.82979%0.791SS**PPolyproline II helixtrans-85.5144.2165.1-137.8-84.6000109.2
213S47.9Very low50.3Low114 Ų114142 Ų14280%0.79779%0.789SS**  trans-144.8121.2175.7-174.60000111.4
214P52.2Low50.6Low100 Ų100141.7 Ų141.765%0.64979%0.785SS**  trans-123.8164.6168.238-25.6000114.4
215E41Very low50.7Low177 Ų177137.9 Ų137.983%0.82778%0.78SS**  trans68.3120.9164.1-79.8178.710900120.8
216L51.8Low50.8Low151 Ų151139.5 Ų139.579%0.79178%0.781SS**  177114.9111.8-92.3158.5000113.8
217T43.9Very low50.8Low127 Ų127140.2 Ų140.278%0.77978%0.781SS**  trans59.3132.1140.152.50000125.5
218T51.3Low50.5Low128 Ų128135.7 Ų135.779%0.78577%0.772SS**  trans-59.4-176.1162.312.90000115.2
219P52.1Low50.4Low116 Ų116134.8 Ų134.875%0.75377%0.772SS**  cis-133.8-175.70.123.53.8000116
220P48.8Very low49.5Very low129 Ų129134.7 Ų134.784%0.83877%0.774SS**  trans-99.5169-17238.9-36.1000117.1
221G51.3Low49Very low81 Ų81137.7 Ų137.784%0.83578%0.78SS**  trans-95.2-179.7-17800000117
222H47.7Very low48.7Very low182 Ų182136 Ų13684%0.84378%0.777SS**  trans-122142-155168.755.6000113T224H222-T224 PolarHBondContact CE1-OG1 3.34Å; H222-T224 VanDerWaalsContact CE1-OG1 3.32Å
223G50.2Low48.5Very low70 Ų70133.1 Ų133.172%0.72277%0.774SS**  trans-166.1147.4178.200000111.9
224T51.1Low48Very low101 Ų101139 Ų13962%0.6278%0.78SS**  trans-157.9136.5-154.4-60.40000113.4H222H222-T224 PolarHBondContact CE1-OG1 3.34Å; H222-T224 VanDerWaalsContact CE1-OG1 3.32Å
225L50.2Low47.6Very low154 Ų154142.1 Ų142.181%0.80679%0.792SS**  trans63.5157.5168.5-72.7160.2000115.6
226D48.8Very low48Very low126 Ų126144.9 Ų144.967%0.67480%0.796SS**  cis-155162.512.8-151.2-11.5000114.4
227N45.4Very low47.5Very low129 Ų129143.5 Ų143.569%0.6980%0.798SS**  trans39.9119.2148-107.3-30000126.4
228S50.6Low47.5Very low89 Ų89143.1 Ų143.162%0.62280%0.8SS**  105.7141.7110.482.50000123.5
229K49.7Very low47.6Very low202 Ų202141.4 Ų141.488%0.87880%0.799SS**  trans90.8117.2155.5-56.9-173-171.9177.20119.6
230S41.6Very low47.6Very low108 Ų108146.2 Ų146.276%0.75580%0.804SS**  trans-91.3142.9178.3530000113.6
231M50.3Low47.7Very low194 Ų194148.4 Ų148.496%0.95680%0.803SS**  trans-142.6144.9151.1-78.3-60.4171.400109.1
232K45.8Very low47.7Very low200 Ų200149.9 Ų149.987%0.8780%0.8SS**  trans-133.8119.7-171.2-173167.8-176.9165.70110.9
233P48.1Very low47.8Very low118 Ų118150.2 Ų150.277%0.76680%0.799SS**  trans-85.4153.6177.433-32.9000112.5
234Y36.7Very low47.8Very low237 Ų237157.2 Ų157.293%0.92981%0.806SS**  trans-69.9140173.5-92.2-111.5000111.5
235N43.8Very low47.4Very low166 Ų166160.6 Ų160.689%0.88882%0.815SS**  trans-124.7127.8171.8-12911.2000110
236Y49.2Very low47.2Very low235 Ų235159 Ų15992%0.92282%0.816SS**  trans-120.774.4-175.2-179.4-93.9000110.2
237C41.3Very low47.2Very low122 Ų122159.2 Ų159.282%0.82482%0.822SS**  trans-174.7115.7159.3-1640000109.8
238S44.5Very low46.8Very low118 Ų118158.4 Ų158.483%0.82583%0.826SS**  trans-163.526.6172.9-149.30000114.6
239A53.3Low47.2Very low92 Ų92159.8 Ų159.876%0.7683%0.834SS**SBendtrans-105.410-162.800000116.3
240Y51.8Low46.6Very low218 Ų218158.9 Ų158.986%0.85583%0.832SS**SBendtrans-135.3-1.5-167.9-107.5-88.1000118
241E49.9Very low46.7Very low174 Ų174160 Ų16081%0.81384%0.839SS**  trans-102.2-16-172.9-94.4-82.1117.900115.4F243E241-F243 PolarHBondContact O-N 3.2Å
242S50.9Low46.6Very low112 Ų112155.2 Ų155.278%0.78383%0.83SS**THydrogen-bonded Turntrans-73.322.9-168.2-50.80000116.8
243F50.6Low46.3Very low189 Ų189151.6 Ų151.683%0.82983%0.83SS**THydrogen-bonded Turntrans-113.2-7-173.8-79.9-75000116.1E241E241-F243 PolarHBondContact O-N 3.2Å
244Y49.9Very low46.7Very low218 Ų218151.8 Ų151.886%0.85583%0.831SS**SBendtrans-118.3-10.5-173.8-90.5-81.4000117
245E43Very low47.1Very low172 Ų172149.7 Ų149.780%0.80483%0.83SS**  trans-117.297.8-178.9-146.674.8-141.500110.8
246S46.4Very low47.3Very low121 Ų121151.5 Ų151.585%0.84683%0.83SS**  trans-150.3103.2167.1-77.40000109.5
247T47.9Very low47.2Very low130 Ų130149 Ų14980%0.79883%0.827SS**PPolyproline II helixtrans-71.3153.6178.7390000112.2
248S37Very low47.8Very low111 Ų111146.6 Ų146.678%0.77682%0.823SS**PPolyproline II helixtrans-63.7138.6-173.7-1730000113.7
249P59.2Low48.1Very low119 Ų119146.7 Ų146.777%0.77382%0.821SS**PPolyproline II helixtrans-93.6131.4157.632.5-25.9000111.3
250E38Very low48.3Very low183 Ų183151 Ų15186%0.85583%0.83SS**PPolyproline II helixtrans-79.7136.1169.8-61.7162.8111.300110.5
251C43.6Very low48.2Very low131 Ų131146 Ų14689%0.88583%0.827SS**  trans-177.2147.7141.4-1030000115
252A47.5Very low49.1Very low94 Ų94143 Ų14378%0.77782%0.823SS**  trans59.494.4152.600000119.6
253S39Very low50Low123 Ų123143.1 Ų143.186%0.8682%0.82SS**PPolyproline II helixtrans-70.4138.7160.1-48.50000112.7
254P58.1Low50.7Low122 Ų122140 Ų14079%0.79282%0.82SS**PPolyproline II helixtrans-95.4140.2150.34.315.6000110.3
255Q44.5Very low51.6Low193 Ų193137 Ų13790%0.90282%0.817SS**PPolyproline II helixtrans-73.8133.6173.6-63.5167.1-82.400111
256F47.9Very low52.4Low205 Ų205135.7 Ų135.790%0.89982%0.815SS**  trans-152.6149.6144.1-140.9-97.1000111.4
257E47.4Very low52.6Low181 Ų181140.4 Ų140.485%0.84682%0.816SS**  trans-81.5153-170.3-62.2178.5116.500114
258G54Low52.4Low72 Ų72141.7 Ų141.774%0.74282%0.818SS**  trans100.9139.1131.500000116.6
259P50.2Low52.9Low121 Ų121139.3 Ų139.379%0.78681%0.811SS**  trans-122.1140.1-15136.7-20.5000114.7
260L56.9Low52.6Low181 Ų181141.1 Ų141.195%0.94881%0.812SS**  trans-139.3121.2159.2-71.3177.4000110.6
261S51.3Low53.1Low113 Ų113142.7 Ų142.779%0.7982%0.817SS**PPolyproline II helixtrans-86.9137.2-178.5-169.70000111.4
262P67.6Low53.9Low112 Ų112141.1 Ų141.173%0.72781%0.807SS**PPolyproline II helixtrans-70.9138.5171.2-12.427.6000111.4
263P69.2Low53.9Low114 Ų114144.7 Ų144.774%0.7481%0.812SS**PPolyproline II helixtrans-77.3155.4176.132.1-35000112.2
264P65.1Low54.8Low125 Ų125148.4 Ų148.481%0.81281%0.813SS**PPolyproline II helixtrans-72.2132179.129.5-34.4000112.2N266P264-N266 PolarHBondContact O-N 3.46Å
265I70.6Confident54.2Low155 Ų155151.1 Ų151.180%0.79582%0.815SS**  trans-69.4112173.226.6172000111.1
266N58.1Low54Low144 Ų144151.1 Ų151.177%0.7782%0.815SS**  trans-87.5112.4175.4-173.6-8.8000110.5P264 N268P264-N266 PolarHBondContact O-N 3.46Å; N266-N268 PolarHBondContact O-N 3.35Å
267Y51.3Low53.7Low219 Ų219149.4 Ų149.486%0.85981%0.81SS**  trans-83.492.5172.4-93.8-89.7000110.7
268N43.5Very low53.4Low157 Ų157147 Ų14784%0.8481%0.808SS**  trans-148.997.7165.6-14722.2000110.4N266N266-N268 PolarHBondContact O-N 3.35Å
269G47.5Very low52.9Low61 Ų61151.1 Ų151.163%0.62981%0.812SS**  trans-175.387.5-171.800000116.2
270I53.7Low52.4Low157 Ų157152.7 Ų152.781%0.80581%0.814SS**  trans32.493.8139.152.2164.7000119.5S272I270-S272 PolarHBondContact O-N 2.96Å
271F48.3Very low51.6Low217 Ų217154 Ų15495%0.95281%0.807SS**  trans-81.892.7149.6-97-86.3000109.8
272S60Low51.2Low97 Ų97151.4 Ų151.468%0.67880%0.799SS**  trans-81.4112.9167.2-690000110.1I270 K274I270-S272 PolarHBondContact O-N 2.96Å; S272-K274 PolarHBondContact O-N 3.2Å; S272-K274 VanDerWaalsContact O-N 3.16Å
273L48.7Very low50.2Low170 Ų170155.5 Ų155.589%0.8981%0.805SS**  trans-64.4108.4171.2178.568.4000109.7
274K57.3Low49.1Very low200 Ų200157 Ų15787%0.8781%0.807SS**  trans-95.4122.7160.4-90.6-160.5170.3-168.30109.9S272S272-K274 PolarHBondContact O-N 3.2Å; S272-K274 VanDerWaalsContact O-N 3.16Å
275Q45.4Very low48.1Very low180 Ų180159.5 Ų159.584%0.84180%0.802SS**  trans-78.9123.4168.6172.3-178.4-6.700108.4
276E40.7Very low47Very low192 Ų192159.9 Ų159.990%0.89781%0.805SS**  trans-140.6145.8163.4-163.9165.4173.300108.2
277E40Very low46.9Very low169 Ų169162.6 Ų162.679%0.7981%0.806SS**  trans-81.8159.8-159.5-78.6174.6108.300115
278T42.9Very low46.9Very low132 Ų132154.3 Ų154.381%0.8179%0.787SS**  trans-26.4121.3172370000117.3
279L42.9Very low47.5Very low158 Ų158153.6 Ų153.683%0.82778%0.781SS**  trans-139.5154.6149.2-142.476.2000110.5Y281L279-Y281 PolarHBondContact O-N 2.69Å
280D38.8Very low47.8Very low153 Ų153159.3 Ų159.382%0.81879%0.79SS**  trans-58.7123.5-160.1-63.4-95.8000117.2G282D280-G282 PolarHBondContact O-N 2.83Å
281Y40.7Very low47.8Very low208 Ų208161.7 Ų161.782%0.81679%0.791SS**  trans-95.676.3167.1-103.1-85.2000112.2L279 Y285L279-Y281 PolarHBondContact O-N 2.69Å; Y281-Y285 HydrophobicContact CD1-CE2 4.48Å; Y281-Y285 HydrophobicContact CE1-CE2 4.28Å; Y281-Y285 WeakPolarHBondContact CE1-OH 3.49Å
282G43.1Very low47.9Very low60 Ų60157.3 Ų157.362%0.61979%0.786SS**  trans-116.7106.7171.600000112.5D280D280-G282 PolarHBondContact O-N 2.83Å
283K47.3Very low47.4Very low197 Ų197157.4 Ų157.486%0.85779%0.792SS**SBendtrans69.8109.9175.3-49.6163-177168.50115.5
284N44.4Very low47.6Very low145 Ų145155.6 Ų155.678%0.77579%0.788SS**  158.692.3129.1-80.9-8.7000111.6
285Y44Very low47.6Very low178 Ų178151.2 Ų151.270%0.69878%0.78SS**  trans-125.377.4159.8-74-69.7000108.8Y281 Y287Y281-Y285 HydrophobicContact CD1-CE2 4.48Å; Y281-Y285 HydrophobicContact CE1-CE2 4.28Å; Y281-Y285 WeakPolarHBondContact CE1-OH 3.49Å; Y285-Y287 PolarHBondContact O-N 2.98Å
286N47.5Very low48.1Very low163 Ų163149 Ų14987%0.87278%0.781SS**  trans-85.684.6177.3-139.835.2000108.5G288N286-G288 VanDerWaalsContact C-N 3.29Å; N286-G288 PolarHBondContact O-N 3.25Å
287Y56.3Low48.8Very low202 Ų202151.3 Ų151.379%0.79278%0.781SS**  trans-71.288.9169.9-94.6-91.1000109.1Y285 M289Y285-Y287 PolarHBondContact O-N 2.98Å; Y287-M289 PolarHBondContact O-N 3.27Å
288G51.4Low49.2Very low44 Ų44146.7 Ų146.745%0.45478%0.779SS.*  trans-65115.9176.300000111.2N286 H290N286-G288 VanDerWaalsContact C-N 3.29Å; N286-G288 PolarHBondContact O-N 3.25Å; G288-H290 PolarHBondContact O-CD2 3.12Å; G288-H290 VanDerWaalsContact O-CD2 3.26Å; G288-H290 PolarHBondContact O-N 3.36Å; G288-H290 VanDerWaalsContact O-N 3.14Å
289M57.1Low49.4Very low143 Ų143146.8 Ų146.870%0.70478%0.782SS**  trans-75.496.4168.6-69.3-69.1115.200109Y287 Y291Y287-M289 PolarHBondContact O-N 3.27Å; M289-Y291 VanDerWaalsContact C-N 3.32Å; M289-Y291 HydrophobicContact CB-CD2 4.23Å; M289-Y291 HydrophobicContact CB-CE2 4.43Å; M289-Y291 PolarHBondContact O-N 3.37Å
290H52.6Low49.7Very low180 Ų180147.5 Ų147.583%0.83379%0.786SS**  trans-77.679.7175-65.5-83000110.9G288G288-H290 PolarHBondContact O-CD2 3.12Å; G288-H290 VanDerWaalsContact O-CD2 3.26Å; G288-H290 PolarHBondContact O-N 3.36Å; G288-H290 VanDerWaalsContact O-N 3.14Å
291Y53.9Low49.8Very low208 Ų208143.2 Ų143.282%0.81678%0.778SS**  trans-80.5124.8160.8-82-91.4000109.1M289 A293M289-Y291 VanDerWaalsContact C-N 3.32Å; M289-Y291 HydrophobicContact CB-CD2 4.23Å; M289-Y291 HydrophobicContact CB-CE2 4.43Å; M289-Y291 PolarHBondContact O-N 3.37Å; Y291-A293 PolarHBondContact O-N 3.26Å; Y291-A293 VanDerWaalsContact O-N 3.16Å
292C50.8Low50.2Low125 Ų125142.9 Ų142.985%0.84578%0.784SS**  trans-62.8115.3175.5-75.10000110.3V294C292-V294 PolarHBondContact O-N 3.35Å
293A49.2Very low50.2Low98 Ų98143.9 Ų143.981%0.8179%0.794SS**  trans-74.6110.8169.300000109.3Y291Y291-A293 PolarHBondContact O-N 3.26Å; Y291-A293 VanDerWaalsContact O-N 3.16Å
294V53Low50Low133 Ų133139 Ų13981%0.80679%0.791SS**  trans-71.5132.2170-79.50000110.3C292C292-V294 PolarHBondContact O-N 3.35Å
295P58.2Low50.1Low107 Ų107140.2 Ų140.270%0.69579%0.793SS**  trans-76.9143.4175.531.3-33.8000110.8R297P295-R297 PolarHBondContact O-N 2.96Å
296P54.1Low50.2Low134 Ų134141.9 Ų141.987%0.8781%0.805SS**  trans-74.4115.9177.129.9-32.8000110.6
297R56.4Low50.2Low240 Ų240145.2 Ų145.291%0.90681%0.805SS**PPolyproline II helixtrans-99.4122.2161.8-83.6-167.2167-163.7-3.3109.7P295P295-R297 PolarHBondContact O-N 2.96Å
298G47.7Very low49.7Very low72 Ų72143.3 Ų143.374%0.74281%0.808SS**PPolyproline II helixtrans-70.3147.7166.600000111
299P48.8Very low49.1Very low135 Ų135146.7 Ų146.788%0.87782%0.822SS**PPolyproline II helixtrans-89.4137.1-178.633.9-32.4000112
300L47.9Very low48.8Very low173 Ų173146.6 Ų146.691%0.90683%0.83SS**  trans-121.3122164.3-167.578.3000108.8
301G41.6Very low48.2Very low62 Ų62144.8 Ų144.864%0.63983%0.826SS**  trans71.898.4145.600000121.1
302Q49.3Very low48.1Very low202 Ų202141 Ų14194%0.94483%0.83SS**  67.2127.2125.3-62.9174.23.100122.7
303G42.7Very low47.7Very low81 Ų81142.8 Ų142.884%0.83583%0.825SS**  trans90.4145.6151.500000117
304A43.5Very low47.3Very low95 Ų95148.2 Ų148.279%0.78583%0.831SS**  cis-159140.2-17.500000110.9
305M46.4Very low46.8Very low169 Ų169146.5 Ų146.583%0.83382%0.822SS**  trans27.5125.1145.6-51.2-65.8-103.200121.1
306F46.7Very low46.2Very low214 Ų214152.8 Ų152.894%0.93983%0.834SS**  -175162.2110.6-99.5-72.1000110.8
307R46.2Very low45.9Very low232 Ų232153.9 Ų153.988%0.87583%0.832SS**  trans-131.2150.3-170.3-61.1-179.2175.6-174.30.7112.3
308L45.2Very low45.7Very low163 Ų163149.7 Ų149.785%0.85383%0.827SS**  -176.9143120.1-143.667000113.1
309P39.8Very low45.9Very low115 Ų115155 Ų15575%0.74783%0.833SS**  trans-119.8172.1170.341-30.7000114
310T51.3Low45.9Very low141 Ų141156.6 Ų156.687%0.86583%0.833SS**  trans-137.3138.7171.749.40000113.5
311D39.9Very low45.8Very low141 Ų141159.6 Ų159.675%0.75483%0.832SS**  trans-68.2158.5-177.4-68.8-93.4000116.8
312S51.7Low45.8Very low128 Ų128162 Ų16290%0.89584%0.839SS**  trans-167.2110.8134.6-82.30000112
313H43Very low45.5Very low163 Ų163160.4 Ų160.476%0.75583%0.832SS**  trans-94.4141.4175-94-87.4000112
314F40.5Very low45.3Very low213 Ų213161.4 Ų161.493%0.93483%0.826SS**  trans-144.3121.6150-103.6-79.4000110.2
315P42.7Very low45.2Very low96 Ų96164.4 Ų164.462%0.62383%0.828SS**  trans-104.2143.7-176.437.1-31.2000112.9
316Y44.5Very low45.1Very low240 Ų240162.3 Ų162.394%0.94183%0.825SS**  trans-179.4109.2142.5-91.5-61.2000109.1
317D47.8Very low45.3Very low156 Ų156159.7 Ų159.783%0.83482%0.818SS**  trans-150.1149.9149.3-144-23.4000111.4
318L52.8Low45.1Very low152 Ų152157.3 Ų157.380%0.79682%0.816SS**  trans-112.293.8-159.8-174.272.5000110.9L320L318-L320 PolarHBondContact O-N 3.04Å
319H51.1Low45.5Very low185 Ų185157.4 Ų157.486%0.85682%0.818SS**  trans-73.399.6179.8-70.3164000113R321H319-R321 PolarHBondContact O-N 3.26Å
320L49.7Very low46.2Very low168 Ų168160.2 Ų160.288%0.8882%0.821SS**  trans-78.1104.9169.6-149.975.6000110.5L318 S322L318-L320 PolarHBondContact O-N 3.04Å; L320-S322 PolarHBondContact O-N 3.19Å
321R44.4Very low46.4Very low235 Ų235161.1 Ų161.189%0.88782%0.819SS**PPolyproline II helixtrans-65.7119.7-179.3174.2176.1172.7158.2-4.1111.5H319 Q323H319-R321 PolarHBondContact O-N 3.26Å; R321-Q323 PolarHBondContact O-N 2.98Å
322S42.8Very low46.9Very low113 Ų113162.2 Ų162.279%0.7983%0.825SS**PPolyproline II helixtrans-59.3126.4168-178.90000110.5L320L320-S322 PolarHBondContact O-N 3.19Å
323Q42.2Very low47.2Very low168 Ų168160.6 Ų160.679%0.78582%0.82SS**PPolyproline II helixtrans-98.7125.6173.6-171.3176.152.600108.7R321 L325R321-Q323 PolarHBondContact O-N 2.98Å; Q323-L325 PolarHBondContact O-N 2.76Å
324S39.7Very low48.1Very low103 Ų103158.3 Ų158.372%0.7282%0.817SS**PPolyproline II helixtrans-67.6120.9176.549.20000111.3
325L40.6Very low48.8Very low158 Ų158157.2 Ų157.283%0.82781%0.812SS**  trans-103.8104.7170.2-91.2158000109.8Q323Q323-L325 PolarHBondContact O-N 2.76Å
326T44.3Very low49.4Very low124 Ų124162 Ų16276%0.76183%0.826SS**  trans-104.673.9174.450.90000109.6
327M50.4Low49.8Very low160 Ų160162.2 Ų162.279%0.78884%0.843SS**  trans-153.876.3177.5-75.3-60175.700110.9
328Q43.6Very low49.9Very low181 Ų181162.5 Ų162.585%0.84684%0.844SS**  trans-152.921.2173.4-156.5118.447.900115.7
329D52.7Low49.8Very low166 Ų166163.1 Ų163.189%0.88885%0.846SS**SBendtrans-103.5-3.6-176.9-80.7-59.2000115.5
330E54.8Low49.7Very low174 Ų174161.8 Ų161.881%0.81385%0.846SS**SBendtrans-104.84.8-170.5-77.5-174.2112.300116.7
331L55.3Low49.7Very low159 Ų159161.5 Ų161.583%0.83284%0.844SS**SBendtrans-101.11-174.2-71.7177.6000116.6
332N50.5Low50Low165 Ų165156.9 Ų156.988%0.88284%0.841SS**SBendtrans-107.611-179.4-75.7-15.6000114.5
333A58.5Low50.5Low94 Ų94159.8 Ų159.878%0.77784%0.844SS**  trans-92.210-173.500000115.2
334V61.3Low51.1Low115 Ų115159.2 Ų159.270%0.69785%0.848SS**  trans-123132.1-178.8-178.30000108.6
335F55.9Low52Low189 Ų189163.5 Ų163.583%0.82986%0.858SS**  trans104.353.2-176-58.3-63000117.3
336H54.8Low52.9Low196 Ų196164 Ų16491%0.90786%0.861SS**  trans-149.6107.7147-93-66.8000111.2
337N53.1Low53.7Low245 Ų245167.6 Ų167.6100%1.3187%0.87SS**  trans-155.30157.3-114-94.5000107.1

Retrieved 337 of 337 residues in 137 ms (Link to these results)