A0A096MB04_POEFO Loading...

Microtubule-associated protein

AlphaFold DB , UniProt , Accession A0A096MB04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M39Very low42.2Very low246 Ų246156.1 Ų156.1100%1.21279%0.787SS**  0142.20-72.8165.1177.600107.5
2E38.1Very low42Very low177 Ų177149.3 Ų149.383%0.82779%0.785SS**  trans-87.2151.6179.5-57.7164.2124.900109.9
3Y37.7Very low42.6Very low236 Ų236147.8 Ų147.893%0.92580%0.795SS**  trans-144.9123.7147.4-101.6-74.9000108.7
4M42.6Very low43.2Very low176 Ų176142 Ų14287%0.86779%0.787SS**PPolyproline II helixtrans-83148.7177.1-66.8-160.173.200111N6M4-N6 PolarHBondContact O-N 2.68Å
5N37Very low42.7Very low166 Ų166142.9 Ų142.989%0.88879%0.79SS**PPolyproline II helixtrans-66.7130.4166.5-109.3-62.8000109.6
6N48Very low43.1Very low161 Ų161142.8 Ų142.886%0.86180%0.795SS**PPolyproline II helixtrans-85.7122.7179-153.113.8000108.9M4M4-N6 PolarHBondContact O-N 2.68Å
7A41.9Very low43.1Very low57 Ų57141.7 Ų141.747%0.47179%0.792SS.*PPolyproline II helixtrans-77.4126.4-176.100000111.2
8S46Very low42.9Very low88 Ų88140 Ų14062%0.61579%0.791SS**PPolyproline II helixtrans-58.7147.8164.9-55.40000110.5V408S8-V408 WeakPolarHBondContact O-CG2 3.23Å
9N41.6Very low42.9Very low136 Ų136136.2 Ų136.273%0.72778%0.779SS**  trans-106.9139.7163.8-89.2-14.9000109.5
10S46.1Very low42.6Very low61 Ų61134.5 Ų134.543%0.42778%0.775SS.*  trans-137124.9174-172.30000108.4V408S10-V408 VanDerWaalsContact N-CG2 3.3Å
11Y46.4Very low42.8Very low213 Ų213135.9 Ų135.984%0.83578%0.779SS**  trans-98.3117.3178.3-76.9-89.7000109.3
12G39.3Very low42.8Very low74 Ų74129.4 Ų129.476%0.76375%0.754SS**  trans-77.1130.4171.500000111.1G14G12-G14 PolarHBondContact O-N 2.68Å
13S49.8Very low42.8Very low131 Ų131128.2 Ų128.292%0.91675%0.753SS**SBendtrans-72.9113173.752.40000110.6
14G51.7Low42.7Very low66 Ų66126 Ų12668%0.6875%0.754SS**  trans-164.8-32.6179.900000115.8G12 T16G12-G14 PolarHBondContact O-N 2.68Å; G14-T16 PolarHBondContact O-N 3.14Å
15D35.8Very low42.8Very low156 Ų156124.2 Ų124.283%0.83475%0.753SS**  trans-68.9118.6-177.6-72.6-35.1000112.7V17D15-V17 VanDerWaalsContact C-N 3.33Å; D15-V17 PolarHBondContact O-N 3.26Å
16T48.2Very low43Very low141 Ų141123.6 Ų123.687%0.86575%0.748SS**  trans-72.685.3171.643.20000110.2G14 S18G14-T16 PolarHBondContact O-N 3.14Å; T16-S18 PolarHBondContact O-N 3.19Å
17V43.4Very low42.3Very low124 Ų124123.3 Ų123.375%0.75275%0.747SS**  trans-59.599.6177.8-73.10000111.7D15 A19D15-V17 VanDerWaalsContact C-N 3.33Å; D15-V17 PolarHBondContact O-N 3.26Å; V17-A19 PolarHBondContact O-N 3.17Å
18S39.6Very low42.2Very low111 Ų111127 Ų12778%0.77676%0.758SS**  trans-69.783165.2-169.40000108.4T16 S20T16-S18 PolarHBondContact O-N 3.19Å; S18-S20 VanDerWaalsContact C-N 3.3Å; S18-S20 PolarHBondContact O-N 3.29Å
19A42.6Very low41.9Very low67 Ų67130.4 Ų130.455%0.55476%0.764SS**  trans-75.277.4-167.900000112V17 L21V17-A19 PolarHBondContact O-N 3.17Å; A19-L21 HydrophobicContact CB-CG 4.29Å; A19-L21 PolarHBondContact O-N 3.38Å
20S36.7Very low41.6Very low102 Ų102131.6 Ų131.671%0.71377%0.765SS**  trans-65.278.5165.8-66.40000110.2S18 T22S18-S20 VanDerWaalsContact C-N 3.3Å; S18-S20 PolarHBondContact O-N 3.29Å; S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 3.43Å
21L47.1Very low41.3Very low164 Ų164135.7 Ų135.786%0.85978%0.777SS**  trans-74.373.3-176-77.3166.1000112.3A19A19-L21 HydrophobicContact CB-CG 4.29Å; A19-L21 PolarHBondContact O-N 3.38Å
22T38.9Very low40.7Very low111 Ų111133.8 Ų133.868%0.68178%0.776SS**  trans-135.2138165.440.70000111.3S20S20-T22 VanDerWaalsContact C-N 3.29Å; S20-T22 PolarHBondContact O-N 3.43Å
23N38.8Very low40.6Very low152 Ų152138.7 Ų138.781%0.81378%0.779SS**  trans68.266.7164.9-49.4-19.6000117.6
24M34.4Very low39.8Very low190 Ų190139.6 Ų139.694%0.93677%0.774SS**  trans-115.3104.3145-78.5-163.6-71.500109.8
25T44.8Very low38.9Very low137 Ų137140.2 Ų140.284%0.8478%0.78SS**  trans-88.1125.5169.5-600000108.7N27T25-N27 PolarHBondContact O-N 3.49Å
26I41.5Very low38.8Very low154 Ų154139.1 Ų139.179%0.7978%0.778SS**  trans-73.1118.5175.9-60168.8000108.6
27N34.3Very low38.1Very low155 Ų155142 Ų14283%0.82978%0.779SS**  trans-17797.3152.1-103.95.7000109.4T25T25-N27 PolarHBondContact O-N 3.49Å
28D39Very low37.6Very low135 Ų135143.7 Ų143.772%0.72278%0.781SS**  -168.8136.6108.8-157.4-11.1000108.4H30D28-H30 IonicContact OD1-CD2 3.83Å; D28-H30 IonicContact OD2-CD2 2.73Å
29Q40Very low37.3Very low158 Ų158146.8 Ų146.874%0.73878%0.78SS**  trans-138.857.4-175.3-163.7162.83.400111.1H31Q29-H31 PolarHBondContact O-N 3.15Å; Q29-H31 VanDerWaalsContact O-N 3.09Å
30H34.9Very low36.8Very low161 Ų161151 Ų15175%0.74579%0.794SS**  trans-67103.7175.1-108.4-74.7000111.7D28 Q32D28-H30 IonicContact OD1-CD2 3.83Å; D28-H30 IonicContact OD2-CD2 2.73Å; H30-Q32 PolarHBondContact O-N 3.49Å
31H40.5Very low36.8Very low147 Ų147154.8 Ų154.868%0.68180%0.8SS**  trans-66.8127.8165.3-76.1-90.5000110.2Q29Q29-H31 PolarHBondContact O-N 3.15Å; Q29-H31 VanDerWaalsContact O-N 3.09Å
32Q33.7Very low36Very low173 Ų173155.7 Ų155.781%0.80880%0.8SS**  trans-112.991.6157.8-72.5-171.75.700107.9H30 N34H30-Q32 PolarHBondContact O-N 3.49Å; Q32-N34 PolarHBondContact O-N 2.82Å
33E37.7Very low35.8Very low178 Ų178155.3 Ų155.383%0.83281%0.808SS**  trans-86.3105.1170.658.7-167153.100110
34N33.2Very low35.5Very low150 Ų150153.6 Ų153.680%0.80280%0.803SS**  trans-75.1127.3164.7-80.6-78.5000108.1Q32Q32-N34 PolarHBondContact O-N 2.82Å
35G31.9Very low35.3Very low78 Ų78150.7 Ų150.780%0.80480%0.795SS**  trans-71.1155.1-162.200000115.5
36V33.6Very low34.9Very low133 Ų133149.9 Ų149.981%0.80679%0.79SS**  trans-108.7110.8163.7175.40000108.1M38V36-M38 PolarHBondContact O-N 3.47Å
37K33Very low34.5Very low203 Ų203150.4 Ų150.488%0.88379%0.789SS**  trans-62.7130162.8-95.4-168.4168.7-162.40108.8
38M32.9Very low34.5Very low159 Ų159150.6 Ų150.678%0.78379%0.79SS**  trans-148.2123.9154-98.3-56.9-174.300112.1V36V36-M38 PolarHBondContact O-N 3.47Å
39K33.9Very low34.1Very low175 Ų175147.1 Ų147.176%0.76179%0.787SS**  trans65107.9156.7-59-168.2174.5-168.60119.1
40D32.4Very low33.7Very low157 Ų157147.4 Ų147.484%0.8479%0.792SS**  trans-65.6141.2153.1-34.2-98.7000110.3
41E37.2Very low33.5Very low181 Ų181148.3 Ų148.385%0.84679%0.794SS**  trans-143138.3162.2-80.9-68.3169.800106.3
42E30.1Very low32.8Very low183 Ų183147.1 Ų147.186%0.85580%0.797SS**  trans-81.7134.5-172.5-75.4-169.210600113.7
43A33.9Very low32.4Very low103 Ų103144.9 Ų144.985%0.85180%0.795SS**  trans-145132151.500000108.9
44V31.9Very low31.9Very low116 Ų116142.1 Ų142.170%0.70379%0.794SS**  trans-110.8162.2-169.8-167.50000110.1
45V31Very low31.6Very low128 Ų128144 Ų14478%0.77680%0.798SS**  trans65.4141.8176-109.40000115.3
46T35.5Very low31.6Very low121 Ų121147.7 Ų147.774%0.74280%0.799SS**  cis-141.8153.810.4-450000112.8
47E33.8Very low31.4Very low164 Ų164147.2 Ų147.277%0.76680%0.801SS**  trans-50.2143.6164.5171.1178.7-150.700115
48N34.7Very low31.4Very low159 Ų159146.1 Ų146.185%0.8580%0.799SS**  -178.4151.8129.4-99-67.1000111.3
49G29.4Very low31.8Very low63 Ų63144.6 Ų144.665%0.64980%0.801SS**  trans-144.2-158.2-176.700000114.1
50L32Very low31.5Very low163 Ų163144.3 Ų144.385%0.85380%0.802SS**  trans76.8115.2-173.3-53.8167.3000113
51K30.2Very low31.5Very low181 Ų181141.1 Ų141.179%0.78779%0.792SS**  76.2105.870.4-74.7-169.8178.5-1720113.2
52T27.2Very low31.1Very low121 Ų121139.1 Ų139.174%0.74279%0.787SS**  96.6154.978.7-56.40000111.7
53V25.3Very low31.1Very low126 Ų126137.8 Ų137.876%0.76478%0.781SS**  trans69.7127.8-172-540000114.4
54C27.3Very low30.9Very low120 Ų120142.4 Ų142.481%0.81178%0.778SS**  70.1137.857.6-56.40000111.5
55E25.9Very low30.9Very low189 Ų189143.5 Ų143.588%0.88378%0.78SS**  cis-146.6178.540.4-153.8165.5145.200114.2
56L31.6Very low30.9Very low157 Ų157144.4 Ų144.482%0.82278%0.781SS**  trans-89.1156172.6-74.377000111.1
57S30.7Very low30.9Very low122 Ų122145.2 Ų145.285%0.85378%0.776SS**  trans-160.8135.6136.2-102.70000112
58Q31.6Very low30.9Very low180 Ų180145 Ų14584%0.84178%0.779SS**  trans-97.9171.9156.5-62.8-176.4-67.800108.7
59P42.9Very low30.8Very low127 Ų127145.1 Ų145.183%0.82577%0.774SS**  -139.6-159.4103.339.2-26000113.5
60E27.7Very low31.8Very low169 Ų169147.8 Ų147.879%0.7978%0.78SS**  trans-113.6146-150.3-57.8164.696.700115.5
61S31.8Very low31.8Very low90 Ų90145.1 Ų145.163%0.62978%0.782SS**  trans73.5157.1136.475.10000121.7
62N27.8Very low31.6Very low139 Ų139140.3 Ų140.374%0.74378%0.783SS**  trans75.3142.9154.1-59.2-20.9000119.1
63Q30.3Very low31.7Very low155 Ų155138.6 Ų138.672%0.72479%0.79SS**  cis-167.1125.3-15.9-177.1172.5-21.300111.8
64Y30.5Very low32Very low200 Ų200137.3 Ų137.378%0.78479%0.792SS**  trans61.2161.7156.3-88.6-106.9000123.3
65D32.4Very low32.2Very low139 Ų139136.7 Ų136.774%0.74379%0.79SS**  trans66149.9163-48.9-34.1000118.6
66D31.1Very low32.8Very low148 Ų148132.6 Ų132.679%0.79178%0.782SS**  cis-146.7178.61.8-155.911000114.4
67E34.1Very low32.8Very low138 Ų138132 Ų13265%0.64579%0.785SS**  trans-42.5151.9178.6-138.1-177.592.600119.3
68L34.1Very low32.8Very low160 Ų160130.4 Ų130.484%0.83878%0.779SS**  -172.8142111.9-97.5170.6000113.8
69H32.5Very low32.8Very low161 Ų161130.8 Ų130.875%0.74578%0.781SS**  trans-110.3-164178.8-83.6-92.5000109.7
70P51.4Low32.1Very low118 Ų118130.4 Ų130.477%0.76678%0.776SS**  cis-136.5-166.7-3.634.8-11.2000116
71A31.7Very low32.2Very low107 Ų107132.1 Ų132.188%0.88478%0.775SS**  trans77.8145.9161.200000118.9
72G26.8Very low32.3Very low80 Ų80134.9 Ų134.983%0.82579%0.788SS**  cis159157.6-8.800000113.4
73G27.5Very low32.4Very low85 Ų85133.9 Ų133.988%0.87678%0.783SS**  trans107.9146.5171.400000115.3
74A31.6Very low32.5Very low99 Ų99134.4 Ų134.482%0.81879%0.791SS**  trans-117.9165.9-165.600000114.6
75S32Very low32.6Very low108 Ų108128.3 Ų128.376%0.75579%0.789SS**  trans70.4108.1146.9-171.60000120.9
76S38.4Very low32.7Very low102 Ų102127.7 Ų127.771%0.71379%0.785SS**  32.6123123.8-168.50000120.4
77T31.1Very low32.9Very low146 Ų146128.5 Ų128.590%0.89678%0.782SS**  -159.1169.5129.54.30000111.1
78A31.5Very low32.7Very low88 Ų88126.7 Ų126.773%0.72778%0.784SS**  trans-114.6156.8-172.400000113.3
79Q32.7Very low32.9Very low188 Ų188128.3 Ų128.388%0.87979%0.788SS**  trans-177.8167.1154.6-102.317472.700108.6
80V28Very low32.7Very low118 Ų118126.7 Ų126.772%0.71579%0.789SS**  cis-162.8150.1-41.9124.50000107.6
81R29.9Very low31.6Very low206 Ų206126.9 Ų126.978%0.77779%0.788SS**  trans-5.7138.4166.7-54.7173179.4161.6-3.1119.9
82T32.2Very low31.4Very low148 Ų148127.4 Ų127.491%0.90878%0.78SS**  trans-112.5154.9132.750.80000109.3
83N31.6Very low31.5Very low118 Ų118129.1 Ų129.163%0.63178%0.775SS**  trans-124.6150.1-170.7-67.8-27.5000112.3
84N31.9Very low32.8Very low166 Ų166130.7 Ų130.789%0.88877%0.77SS**  trans60.2142.8154.4-57.7-4.2000119
85G33.3Very low33.2Very low72 Ų72131 Ų13174%0.74276%0.764SS**  cis138.5156.4-4.500000112.2
86D32.7Very low33.4Very low126 Ų126129.8 Ų129.867%0.67476%0.755SS**  trans-159.4155.9171.3-142-16.9000115.9
87K35.6Very low33Very low165 Ų165135 Ų13572%0.71776%0.76SS**  trans36.6102162.3-73.4136.7-161.6154.70122.7
88S31.1Very low33.2Very low99 Ų99136 Ų13669%0.69276%0.759SS**  47.9116110.5-165.40000121.6
89Q37.9Very low33.2Very low195 Ų195142.1 Ų142.191%0.91177%0.77SS**  -162.6173.4103.1-104.317878.700111.4
90T27.8Very low33.2Very low127 Ų127144 Ų14478%0.77977%0.768SS**  trans-133.3171.5-151.6-45.20000113.1
91V28.4Very low34.4Very low122 Ų122143.6 Ų143.674%0.73977%0.769SS**  trans102.485.1158.8-172.50000118.4
92T28Very low34.4Very low118 Ų118139.5 Ų139.572%0.72477%0.767SS**  86.5148.4116.3-570000123.4
93T29.2Very low34.4Very low116 Ų116138.4 Ų138.471%0.71276%0.759SS**  trans71.9108162.432.80000122
94P54.2Low34.5Very low118 Ų118139.6 Ų139.677%0.76677%0.771SS**  -78.4163.3117.637.3-33.7000110.7
95P40Very low34.4Very low106 Ų106135.8 Ų135.869%0.68876%0.762SS**  -153.7-171106.640.4-21.9000116.2
96S36.1Very low34.2Very low81 Ų81142.4 Ų142.457%0.56677%0.77SS**  trans-68179.6175.855.10000114.1
97Y29.1Very low34Very low212 Ų212139.8 Ų139.883%0.83177%0.773SS**  -165.3157.377.6-84.8-75.4000114.6
98L35.8Very low33.9Very low168 Ų168140.1 Ų140.188%0.8878%0.783SS**  trans-74143.8173.3-72160.1000112.9
99K31.5Very low34.1Very low216 Ų216146.6 Ų146.694%0.93979%0.792SS**  trans-138124.4155.9-83.7-176.3177.7171.90112.7
100R33.9Very low34.4Very low226 Ų226143.6 Ų143.685%0.85379%0.787SS**  trans-158.6135.9172.9169.8-176.8-88.6-96.63102.7
101P52.9Low34.8Very low111 Ų111143.7 Ų143.772%0.72179%0.79SS**  -151.2169.758.342.2-23.3000118.3
102T28.6Very low34.8Very low120 Ų120141.4 Ų141.474%0.73679%0.791SS**  -165.6124.1123.829.20000106.4
103V33.3Very low35.3Very low125 Ų125142 Ų14276%0.75880%0.8SS**  36.2139.891.5-56.20000115.1
104V32.8Very low35.7Very low143 Ų143141.6 Ų141.687%0.86780%0.802SS**  cis-130.9-18028.2-177.90000111.8
105A30.3Very low35.5Very low85 Ų85147 Ų14770%0.70281%0.807SS**  trans-114.6-178.4-170.300000115.3
106K29.8Very low35.5Very low211 Ų211150.1 Ų150.192%0.91782%0.818SS**  trans86.3133169.4-59.2-177.6177.3178.60118.2
107G28.5Very low35.4Very low72 Ų72149.4 Ų149.474%0.74282%0.824SS**  trans83.4139.4165.700000114.5
108N32.7Very low35.6Very low172 Ų172148.4 Ų148.492%0.9283%0.826SS**  cis-145.5168.4-8-118.5-3.2000110.7
109R34.6Very low36Very low235 Ų235145 Ų14589%0.88782%0.816SS**  trans-66.2142.2176.8-66.3173.1176.4152.4-3.1111.3
110T44.5Very low36.5Very low131 Ų131139.4 Ų139.480%0.80481%0.805SS**  trans2.8122.9156.154.60000118.7
111P36.8Very low36.9Very low129 Ų129136.5 Ų136.584%0.83880%0.804SS**  -102.8155.4123.934-30.2000109.4
112G28.2Very low37.3Very low74 Ų74136.5 Ų136.576%0.76380%0.804SS**  cis124.965.114.400000109.5S114G112-S114 PolarHBondContact O-N 3.33Å
113S39.5Very low37.6Very low130 Ų130139.1 Ų139.191%0.90981%0.812SS**  trans-81.5100.1177.4-171.60000109.6
114S37.6Very low37.8Very low109 Ų109142.6 Ų142.676%0.76282%0.817SS**  trans-111.3139.5165.5-166.50000109.8G112G112-S114 PolarHBondContact O-N 3.33Å
115R48.3Very low37.9Very low230 Ų230139.2 Ų139.287%0.86880%0.804SS**  trans-82.2152.6169.1-62169.8177.9118.9-1.5108.2
116N40.6Very low38.2Very low173 Ų173140.9 Ų140.993%0.92581%0.806SS**  trans-66.2142.8161.7-66.8-8.1000108.4
117G33.7Very low38.4Very low66 Ų66137 Ų13768%0.6880%0.8SS**  trans-144.9-161-177.900000111
118H34.8Very low38.9Very low191 Ų191139 Ų13988%0.88480%0.802SS**  trans-141.8129.1173.3-114.1-96.1000113.3
119S42.2Very low39.7Very low95 Ų95137 Ų13766%0.66480%0.799SS**  trans45.8110153.858.50000122.2
120S42.4Very low39.6Very low100 Ų100129 Ų12970%0.69979%0.79SS**  86.4110.7115.6680000123.8
121I42Very low40.2Very low164 Ų164129 Ų12984%0.84179%0.791SS**  trans85119.6135.4-60.8167.2000118.8
122P62.2Low40Very low111 Ų111134.8 Ų134.872%0.72180%0.797SS**  trans-122.2173178.843.2-33.1000114.8
123I35Very low40.4Very low176 Ų176139.7 Ų139.790%0.90380%0.8SS**  trans-143.9149.8143.95.1-176.1000115.4
124K38.2Very low40.9Very low197 Ų197139 Ų13986%0.85779%0.793SS**  trans-53.6170.7178-120.8178.9178.8-178.50114.8
125A34.1Very low40.6Very low73 Ų73137.8 Ų137.860%0.60380%0.796SS**  cis-162.2157.512.200000115.2
126T36.6Very low39.7Very low119 Ų119130.4 Ų130.473%0.7379%0.792SS**  trans29.1146.4130.764.10000121.9
127T34.6Very low39.2Very low131 Ų131127.8 Ų127.880%0.80480%0.795SS**  cis-164.416412.7-3.60000112.7
128S37.4Very low38.9Very low113 Ų113128.5 Ų128.579%0.7980%0.802SS**  trans-95.8-174.5169.2-28.80000111.5
129P51Low38.9Very low131 Ų131124.5 Ų124.585%0.85180%0.802SS**  cis-138.9-168.916.942-20000117.3
130G31.8Very low38.3Very low67 Ų67125 Ų12569%0.69181%0.812SS**  trans-96.4-145.8174.300000114.3
131P56.9Low38Very low129 Ų129129.9 Ų129.984%0.83882%0.821SS**  cis-148.3-173.66.844.1-23.6000118.9
132R33.9Very low38.2Very low251 Ų251127 Ų12795%0.94781%0.813SS**  trans91.7162.3149.2-119.4-179.5-178.9-149.2-0.7123.1
133Q36Very low36.7Very low178 Ų178130.2 Ų130.283%0.83282%0.818SS**  trans-99-171.5-167.3-114.8-174.9-43.900113.1
134P50.3Low36.6Very low116 Ų116127.1 Ų127.175%0.75381%0.807SS**  cis-143.8176.59.742.4-22.5000119.7
135G30Very low36.2Very low82 Ų82126.8 Ų126.885%0.84581%0.808SS**  trans82.4156.3149.900000119.6
136G29.8Very low35.9Very low76 Ų76126.8 Ų126.878%0.78482%0.816SS**  cis172.2157.4-1100000115.1
137A31.3Very low35.7Very low118 Ų118126.3 Ų126.398%0.97582%0.824SS**  trans68.3149.7166.100000121.7
138G27.4Very low35.6Very low80 Ų80129.5 Ų129.583%0.82583%0.827SS**  trans150.7127.8173.800000112.7
139A33.3Very low35.4Very low107 Ų107130.2 Ų130.288%0.88483%0.826SS**  trans-142.9139.6-172.200000114
140A29.9Very low34.5Very low106 Ų106130 Ų13088%0.87682%0.823SS**  trans-171.6149.3154.100000113.3
141K36.3Very low34.4Very low203 Ų203131.1 Ų131.188%0.88383%0.825SS**  trans-144157158.5-112.7-174-179.4-178.80105.1
142P45.8Very low33.4Very low104 Ų104136.3 Ų136.368%0.67583%0.828SS**  -153.3-165.553.139.1-15.8000116.2
143Q31.7Very low33.3Very low177 Ų177128.9 Ų128.983%0.82782%0.815SS**  trans74.6149.7145.5-149.7165.9-30.300118
144V31.9Very low33.1Very low112 Ų112125.1 Ų125.168%0.67981%0.814SS**  cis-164.3171.3-45.7120.40000108.4
145Q30.9Very low32.2Very low189 Ų189124.1 Ų124.188%0.88382%0.816SS**  trans70.2152.8-179.9-66.8156.525.800115.4
146G26.7Very low32.5Very low74 Ų74129 Ų12976%0.76382%0.817SS**  cis153.9119-13.100000114.1
147A32.4Very low33.3Very low108 Ų108130.7 Ų130.789%0.89381%0.814SS**  trans-151.6153.5172.300000112
148K32.2Very low33.3Very low199 Ų199129.2 Ų129.287%0.86580%0.802SS**  trans-138.2140.7177.9-72.2179.5178.5174.70111.6
149T33.3Very low33.5Very low128 Ų128131.4 Ų131.479%0.78580%0.804SS**  trans-142.2129.2146.545.40000106.2
150T32.9Very low33.6Very low127 Ų127130.8 Ų130.878%0.77980%0.799SS**  65.3121.252.968.30000112.8
151A30.1Very low33.7Very low90 Ų90136 Ų13674%0.74480%0.802SS**  cis-152156.83.700000110.4
152R35.4Very low33.5Very low237 Ų237135.4 Ų135.489%0.89480%0.799SS**  61131.286-154.4173.1-174.1-156.13113.3
153S32.2Very low33.5Very low96 Ų96134.9 Ų134.967%0.67180%0.796SS**  cis-162.9158.69.6-127.40000113.6
154A31.3Very low34.1Very low99 Ų99132.2 Ų132.282%0.81879%0.794SS**  trans57.4165.9145.800000119.9
155A30.9Very low34.3Very low95 Ų95133.4 Ų133.479%0.78580%0.801SS**  cis-148.91711.800000112.6
156Q36.1Very low35.1Very low185 Ų185130 Ų13086%0.86480%0.796SS**  trans-94.7178.9161.3-90.1-170.1-31.900110
157P46.5Very low35.5Very low111 Ų111135.6 Ų135.672%0.72180%0.799SS**  cis-143.2-173.617.743.9-23.7000118
158A33.1Very low35.4Very low87 Ų87136.8 Ų136.872%0.71979%0.791SS**  trans36.6136.2148.800000121.5
159S30.8Very low35.4Very low126 Ų126133.4 Ų133.488%0.88178%0.778SS**  -172.317675.3-68.50000113.4
160A35.7Very low35.5Very low93 Ų93135 Ų13577%0.76977%0.774SS**  trans-103.4154.8-169.400000116.3
161K32Very low35.5Very low215 Ų215136 Ų13694%0.93577%0.774SS**  trans-179168.6137.3-101.4163.5-175.1179.20113.8
162K32.5Very low35.8Very low191 Ų191135.7 Ų135.783%0.8377%0.772SS**  trans-159.9165-176.2-165.4-126-175.6178.20108
163P45.4Very low35.8Very low93 Ų93135.7 Ų135.760%0.60477%0.772SS**  cis-106.5-163.3-3639.4-25.3000111.4
164P43.2Very low36Very low122 Ų122136.9 Ų136.979%0.79278%0.78SS**  -138.5170.8129.439.4-29.1000115.1
165T37.8Very low36Very low136 Ų136135.7 Ų135.783%0.83478%0.777SS**  trans-146.2137.1171.5490000112.9
166P46.8Very low36.2Very low117 Ų117140.7 Ų140.776%0.7678%0.784SS**  trans-128.3144.9141.811.810.3000110.3
167K35.4Very low36.1Very low192 Ų192137.6 Ų137.684%0.83578%0.784SS**  cis94.6123.147.6-84.3-165.6174.6-174.10114.4
168N30.4Very low35.5Very low134 Ų134137.8 Ų137.872%0.71779%0.787SS**  trans66153.9164.4-72.430.6000117.7
169E31.7Very low36Very low128 Ų128139.9 Ų139.960%0.59879%0.794SS**  cis-153.3168.1-0.9-131.3165.5116.100112
170K35.3Very low36Very low161 Ų161137.5 Ų137.570%0.779%0.789SS**  trans33.1144.9149.9-75.4163.3-173.7155.60121.3
171D33.8Very low36.5Very low148 Ų148139.7 Ų139.779%0.79179%0.793SS**  cis-164.117726.5-126.4-38000115.2
172A36.3Very low37Very low84 Ų84135.9 Ų135.969%0.69479%0.79SS**  trans-27.1137.5-178.100000124.5
173R35.2Very low37.3Very low237 Ų237136.1 Ų136.189%0.89479%0.791SS**  -177.7144.9113.8-107.4178.7169.2168.5-2.8114.8
174S36Very low36.7Very low121 Ų121137.3 Ų137.385%0.84680%0.801SS**  trans51.6132.2168.8450000117.7
175G32.3Very low36.8Very low73 Ų73137.2 Ų137.275%0.75380%0.801SS**  cis112.513230.600000108.3
176Q34.7Very low36.5Very low200 Ų200134.6 Ų134.694%0.93580%0.801SS**  cis-135.8169.18.3-65.9167.3-83.600111.3
177S33.3Very low36Very low121 Ų121133.8 Ų133.885%0.84680%0.798SS**PPolyproline II helixtrans-92.9152.7-176.2-450000114
178S33.2Very low35.9Very low115 Ų115134.1 Ų134.180%0.80480%0.803SS**PPolyproline II helixtrans-88.7144.7152.4-67.70000109.9
179P43.3Very low35.9Very low131 Ų131132.3 Ų132.385%0.85181%0.807SS**PPolyproline II helixtrans-78145.1-168.730.7-35.8000113.4
180G31.6Very low36.1Very low76 Ų76134.2 Ų134.278%0.78482%0.82SS**PPolyproline II helixtrans-93.4165.7174.500000113.5
181T46.8Very low35.9Very low139 Ų139132 Ų13285%0.85383%0.825SS**PPolyproline II helixtrans-99.2148.7169.948.30000111.2
182P42.3Very low35.9Very low134 Ų134129.6 Ų129.687%0.8783%0.826SS**PPolyproline II helixtrans-75.9159.6-173.331-36000113.2
183K38.5Very low35.8Very low197 Ų197130.1 Ų130.186%0.85783%0.83SS**  trans-135.2122.2-174.4-176.9-174.3-172.5-178.80110.1
184S33.5Very low35.7Very low117 Ų117127.1 Ų127.182%0.81883%0.826SS**  trans167.5163.6157.9-85.40000111.5
185P44.9Very low35.7Very low121 Ų121125.3 Ų125.379%0.78682%0.818SS**  cis-123.3168.3-25.935.3-20.5000112.3
186G30.7Very low36.1Very low81 Ų81128.9 Ų128.984%0.83582%0.82SS**  trans-153.4105.6170.300000109.7
187S36.6Very low36.3Very low100 Ų100128.7 Ų128.770%0.69982%0.816SS**  trans-121.6123-166.4-59.80000111.9
188Q33.2Very low36.6Very low198 Ų198128.8 Ų128.893%0.92581%0.812SS**  trans66.9162.4164.4-56173.5-4.600114.3
189A31.6Very low36.9Very low97 Ų97132.8 Ų132.880%0.80282%0.815SS**  cis-134.6-161.18.300000112.9
190L34.2Very low36.8Very low167 Ų167136.3 Ų136.387%0.87482%0.816SS**  trans-105.5-175.1-168.4-66.1165.8000113.6
191S32.8Very low37.2Very low116 Ų116139.5 Ų139.581%0.81182%0.82SS**  trans79132.5179.874.40000115.9
192A32.9Very low36.7Very low97 Ų97136.8 Ų136.880%0.80281%0.812SS**  cis101.91278.100000116.8
193A35.3Very low36.4Very low94 Ų94136.6 Ų136.678%0.77781%0.808SS**  trans65.6160.4171.900000115.3
194E32.5Very low36.3Very low174 Ų174133.1 Ų133.181%0.81380%0.803SS**  cis-155.5166.7-3.7-163.245.9-159.500111.6
195A35.5Very low36.7Very low84 Ų84139.4 Ų139.469%0.69481%0.809SS**  trans45.4122155.600000123.1
196N39.8Very low37Very low147 Ų147138.5 Ų138.579%0.78681%0.806SS**  trans-71.2148150.7-95.7-107.1000111.8
197K40.3Very low37.7Very low196 Ų196141.9 Ų141.985%0.85280%0.804SS**  171.8110.6109.5-92.7178.1-175.41780116.1
198V38.8Very low38.1Very low124 Ų124143.3 Ų143.375%0.75281%0.811SS**  31.1123.9127.9-173.10000120.3
199K38.8Very low38.4Very low199 Ų199143 Ų14387%0.86581%0.807SS**  trans-168.2148.8130.6-109.1158.9-172.6175.60116
200K43Very low38.7Very low205 Ų205143.7 Ų143.789%0.89181%0.805SS**  trans77.4136.5165.5-73.4-174.5172.6-178.60120.7
201V39.2Very low39.4Very low143 Ų143142.1 Ų142.187%0.86781%0.805SS**  trans-100.2162.6173.9-150.80000105.3
202A35.6Very low39.7Very low82 Ų82140 Ų14068%0.67880%0.802SS**  cis-166.9-176.734.900000114.2
203V36Very low40Very low129 Ų129140.9 Ų140.978%0.78280%0.802SS**  trans74.6109.9160.5-177.30000118.9
204V37.1Very low40.3Very low125 Ų125143.5 Ų143.576%0.75880%0.802SS**  trans31.1116.7140.5-171.60000119.1
205R41.8Very low40.8Very low249 Ų249143.4 Ų143.494%0.9480%0.799SS**  trans-136.5122.8142.3-75-165.3170.6104.81.4111.2
206S50.9Low41Very low102 Ų102144.3 Ų144.371%0.71380%0.8SS**PPolyproline II helixtrans-80.7168.9165.146.10000111
207N45.8Very low41Very low151 Ų151148.7 Ų148.781%0.80781%0.806SS**PPolyproline II helixtrans-60.3127.5-166.5-53.229.6000113.5
208P43.9Very low41.2Very low130 Ų130144.3 Ų144.384%0.84480%0.8SS**PPolyproline II helixtrans-73.1149.4165.731.8-33.7000111
209K40.9Very low41.7Very low193 Ų193144.5 Ų144.584%0.83980%0.804SS**  trans-119.5136.3173.8-78.6168.8174.5170.40110.1
210S37.1Very low42.1Very low110 Ų110139.2 Ų139.277%0.76980%0.797SS**  trans47128.3151-46.80000120.8
211P48.2Very low42.5Very low134 Ų134135.1 Ų135.187%0.8779%0.791SS**  trans-80.8156137.735.5-30.5000110
212G39.2Very low42.5Very low72 Ų72136.5 Ų136.574%0.74279%0.793SS**  trans-149.3135.9179.100000114.2
213S40.8Very low43Very low115 Ų115137.3 Ų137.380%0.80480%0.8SS**  trans55.1127.6162.7-162.70000119.6
214L40.6Very low43.9Very low149 Ų149136.4 Ų136.478%0.7881%0.806SS**  -174.2168.5120.5-101.7172.4000112.1
215K44.2Very low44.7Very low173 Ų173135.1 Ų135.175%0.75281%0.808SS**  trans69.682.1167.7-100.370.1178.5-172.10118.9
216S37.9Very low45.9Very low102 Ų102127.8 Ų127.871%0.71380%0.801SS**  52130.7115.765.40000123.3
217R40Very low46.7Very low239 Ų239128.8 Ų128.890%0.90281%0.805SS**  trans83.2106.4133.2-173.4172.5168.2-157.9-3.9119.4
218S45.3Very low47.9Very low105 Ų105129.4 Ų129.473%0.73481%0.808SS**  trans-58.8167.8157.3340000113.5
219P48.5Very low49.2Very low127 Ų127128.3 Ų128.383%0.82580%0.801SS**  cis-141.6-172.833.942.9-22000119.3
220A48.3Very low50.6Low89 Ų89123.8 Ų123.874%0.73679%0.786SS**  trans-60.5-173.1-17900000115.2
221P52.2Low52.1Low118 Ų118125.2 Ų125.277%0.76678%0.784SS**  cis-139.2173.4543.4-26.4000117.4
222L38.8Very low53Low172 Ų172126.6 Ų126.690%0.90178%0.776SS**  trans-170.6147.2142.2-108.4157.8000112.5
223A44.9Very low54.4Low100 Ų100130.1 Ų130.183%0.82678%0.778SS**  trans55.9121.7171.300000118.7
224A54.9Low55.8Low109 Ų109130 Ų13090%0.90177%0.772SS**PPolyproline II helixtrans-90.2133.9178.500000112.7
225A54.2Low57.2Low98 Ų98133.5 Ų133.581%0.8178%0.775SS**PPolyproline II helixtrans-102.1136.315800000108.8
226A68Low58.5Low95 Ų95129.8 Ų129.879%0.78577%0.771SS**PPolyproline II helixtrans-67.1137.9-177.300000111.5
227P68.1Low60Low124 Ų124135.1 Ų135.181%0.80578%0.781SS**PPolyproline II helixtrans-67.2139.217728.1-34.1000111
228L69.3Low61.2Low164 Ų164129 Ų12986%0.85977%0.77SS**PPolyproline II helixtrans-62.7141.4175.7-68.4163.9000110.6D230L228-D230 PolarHBondContact O-N 2.97Å
229P71.1Confident62Low107 Ų107126.1 Ų126.170%0.69576%0.757SS**PPolyproline II helixtrans-66.8133.7-177.527.2-34.6000111.5L231P229-L231 PolarHBondContact O-N 2.87Å; P229-L231 VanDerWaalsContact O-N 3.15Å
230D70.7Confident62.5Low98 Ų98124.7 Ų124.752%0.52475%0.75SS.*  trans-75.8105.4-176.7-165.3-3.6000112.1L228 K232L228-D230 PolarHBondContact O-N 2.97Å; D230-K232 PolarHBondContact O-N 3.09Å; D230-K232 VanDerWaalsContact O-N 3.14Å; D230-K232 VanDerWaalsContact OD1-CG 3.23Å; D230-K232 WeakPolarHBondContact OD1-CG 3.5Å; D230-K232 PolarHBondContact OD1-N 3.15Å; D230-K232 IonicContact OD1-NZ 2.68Å; D230-K232 PolarHBondContact OD1-NZ 3.08Å; D230-K232 IonicContact OD2-NZ 2.68Å; D230-K232 PolarHBondContact OD2-NZ 3.48Å
231L69.1Low63.3Low139 Ų139125.3 Ų125.373%0.72875%0.745SS**G310 helixtrans-66.6-11.5-177.3-64.7176.7000114.3P229 N233 V234P229-L231 PolarHBondContact O-N 2.87Å; P229-L231 VanDerWaalsContact O-N 3.15Å; L231-N233 PolarHBondContact O-N 2.92Å; L231-V234 HydrophobicContact CD2-CG2 4.11Å; L231-V234 WeakPolarHBondContact O-CG2 3.39Å; L231-V234 PolarHBondContact O-N 3.09Å
232K68.1Low63.9Low164 Ų164125.5 Ų125.571%0.71374%0.739SS**G310 helixtrans-61.5-25.6-176.9-64.8177.8-150.380.40114.1D230D230-K232 PolarHBondContact O-N 3.09Å; D230-K232 VanDerWaalsContact O-N 3.14Å; D230-K232 VanDerWaalsContact OD1-CG 3.23Å; D230-K232 WeakPolarHBondContact OD1-CG 3.5Å; D230-K232 PolarHBondContact OD1-N 3.15Å; D230-K232 IonicContact OD1-NZ 2.68Å; D230-K232 PolarHBondContact OD1-NZ 3.08Å; D230-K232 IonicContact OD2-NZ 2.68Å; D230-K232 PolarHBondContact OD2-NZ 3.48Å
233N67.5Low64.9Low145 Ų145123.9 Ų123.978%0.77573%0.731SS**G310 helixtrans-113.920.4-172.8-69.825.9000113.6L231 R235L231-N233 PolarHBondContact O-N 2.92Å; N233-R235 VanDerWaalsContact C-N 3.33Å; N233-R235 PolarHBondContact O-N 2.99Å
234V71.2Confident65.8Low113 Ų113125.9 Ų125.969%0.68573%0.728SS**  trans-7581.4-178.6-177.30000111.1L231L231-V234 HydrophobicContact CD2-CG2 4.11Å; L231-V234 WeakPolarHBondContact O-CG2 3.39Å; L231-V234 PolarHBondContact O-N 3.09Å
235R69.8Low66.4Low223 Ų223129.2 Ų129.284%0.84272%0.722SS**  trans-84.3133.8169.7-174.1173.5179168.8-0.7110.2N233 K237N233-R235 VanDerWaalsContact C-N 3.33Å; N233-R235 PolarHBondContact O-N 2.99Å; R235-K237 PolarHBondContact O-N 2.81Å
236S70Confident67Low94 Ų94132.1 Ų132.166%0.65772%0.718SS**  trans-60.4124.8176.153.70000111.4V238S236-V238 PolarHBondContact O-N 3.41Å
237K69.8Low67.2Low215 Ų215135.7 Ų135.794%0.93572%0.719SS**SBendtrans-79-2.3174.1-70.4-164.7175.4-172.30114.2R235R235-K237 PolarHBondContact O-N 2.81Å
238V66.3Low66.9Low109 Ų109134.6 Ų134.666%0.66171%0.712SS**SBendtrans-90.7121.8170.5-176.70000108.2S236 S240S236-V238 PolarHBondContact O-N 3.41Å; V238-S240 PolarHBondContact O-N 3.23Å
239G62.4Low66.5Low45 Ų45130.6 Ų130.646%0.46471%0.71SS.*  trans-73.248.6178.200000114T241 D242G239-T241 PolarHBondContact O-N 3.42Å; G239-D242 WeakPolarHBondContact CA-OD2 2.77Å; G239-D242 PolarHBondContact O-N 3.48Å
240S58.2Low65.6Low97 Ų97129 Ų12968%0.67871%0.713SS**THydrogen-bonded Turntrans-67.8-2.7-171.4-168.70000114.4V238V238-S240 PolarHBondContact O-N 3.23Å
241T64.1Low64.7Low103 Ų103127.3 Ų127.363%0.63272%0.719SS**THydrogen-bonded Turntrans-108.3-17.3-178.841.90000113.6G239 N243 L244G239-T241 PolarHBondContact O-N 3.42Å; T241-N243 PolarHBondContact O-N 2.93Å; T241-N243 VanDerWaalsContact O-N 3.08Å; T241-L244 PolarHBondContact O-N 3.2Å
242D65.3Low64.2Low122 Ų122130.8 Ų130.865%0.65273%0.728SS**THydrogen-bonded Turntrans-82.6-2.1-151.2-55.1-18.7000113.5G239G239-D242 WeakPolarHBondContact CA-OD2 2.77Å; G239-D242 PolarHBondContact O-N 3.48Å
243N60.5Low63.9Low137 Ų137129 Ų12973%0.73373%0.73SS**THydrogen-bonded Turntrans-126.616.8177.1-151.38.4000114.1T241 K245T241-N243 PolarHBondContact O-N 2.93Å; T241-N243 VanDerWaalsContact O-N 3.08Å; N243-K245 VanDerWaalsContact C-N 3.27Å; N243-K245 PolarHBondContact O-N 3.46Å
244L63.4Low63.4Low143 Ų143130.7 Ų130.775%0.74973%0.734SS**  trans-75.678.6171-87.870.8000110.7T241 H246T241-L244 PolarHBondContact O-N 3.2Å; L244-H246 VanDerWaalsContact C-N 3.26Å; L244-H246 PolarHBondContact O-N 3.48Å
245K67.3Low62.9Low178 Ų178132.8 Ų132.877%0.77474%0.739SS**  trans-80.74.3176-67.7-70.7-175.2177.20114.4N243 Q247N243-K245 VanDerWaalsContact C-N 3.27Å; N243-K245 PolarHBondContact O-N 3.46Å; K245-Q247 PolarHBondContact O-N 3.32Å; K245-Q247 VanDerWaalsContact O-N 3.08Å
246H67.8Low62.6Low160 Ų160128.1 Ų128.174%0.74174%0.736SS**  trans-77.295.2-175.9-177.1-80000112.2L244 P248L244-H246 VanDerWaalsContact C-N 3.26Å; L244-H246 PolarHBondContact O-N 3.48Å; H246-P248 WeakPolarHBondContact O-CD 3.26Å
247Q70.9Confident62.1Low169 Ų169130.8 Ų130.879%0.7974%0.737SS**  trans-75.6117.3165.9-67.1-7329.600109.7K245 G249K245-Q247 PolarHBondContact O-N 3.32Å; K245-Q247 VanDerWaalsContact O-N 3.08Å; Q247-G249 PolarHBondContact O-N 2.88Å; Q247-G249 VanDerWaalsContact O-N 3.09Å
248P61.3Low61.8Low102 Ų102128.2 Ų128.266%0.66273%0.729SS**  trans-69.7107.8176.528.6-32.9000110.1H246 G250H246-P248 WeakPolarHBondContact O-CD 3.26Å; P248-G250 PolarHBondContact O-N 3.09Å
249G60.9Low61.4Low79 Ų79130.7 Ų130.781%0.81473%0.731SS**  trans-67.192.8-178.700000112.6Q247 G251Q247-G249 PolarHBondContact O-N 2.88Å; Q247-G249 VanDerWaalsContact O-N 3.09Å; G249-G251 VanDerWaalsContact C-N 3.27Å; G249-G251 PolarHBondContact O-N 3.33Å
250G52.5Low61.5Low75 Ų75134.2 Ų134.277%0.77374%0.738SS**  trans-67.874.5178.300000113.7P248 K252P248-G250 PolarHBondContact O-N 3.09Å; G250-K252 PolarHBondContact O-N 2.56Å
251G53.2Low61.6Low62 Ų62136.2 Ų136.264%0.63974%0.742SS**  trans-68.9117178.700000112.8G249 V253G249-G251 VanDerWaalsContact C-N 3.27Å; G249-G251 PolarHBondContact O-N 3.33Å; G251-V253 VanDerWaalsContact C-N 3.34Å; G251-V253 PolarHBondContact O-N 2.86Å
252K58.5Low61.3Low212 Ų212138.4 Ų138.492%0.92274%0.742SS**  trans-76.579.6175.1-60.7-179.5-175.6179.40110.7G250 Q254G250-K252 PolarHBondContact O-N 2.56Å; K252-Q254 PolarHBondContact O-N 3.43Å
253V60.8Low61.2Low125 Ų125137.7 Ų137.776%0.75875%0.747SS**  trans-83.7108.4175-176.80000109.7G251 I255G251-V253 VanDerWaalsContact C-N 3.34Å; G251-V253 PolarHBondContact O-N 2.86Å; V253-I255 PolarHBondContact O-N 3Å
254Q58.3Low61.3Low181 Ų181136.3 Ų136.385%0.84675%0.748SS**  trans-85105.3175.4-167165.713.200109.1K252 V256K252-Q254 PolarHBondContact O-N 3.43Å; Q254-V256 PolarHBondContact O-N 3.24Å
255I60.6Low61Low157 Ų157134.9 Ų134.981%0.80575%0.745SS**  trans-72.5111.9-176.6-58173.6000109.3V253V253-I255 PolarHBondContact O-N 3Å
256V63.3Low60.8Low126 Ų126134.6 Ų134.676%0.76475%0.747SS**  trans-91.8121.3169.1178.80000108.2Q254 Q258Q254-V256 PolarHBondContact O-N 3.24Å; V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.08Å
257E57.9Low60.1Low149 Ų149132 Ų13270%0.69675%0.747SS**  trans-76.278.7-178.2-166.8-167.5-173.800111.6K259E257-K259 HydrophobicContact CG-CG 4.3Å; E257-K259 PolarHBondContact O-N 3.24Å; E257-K259 WeakPolarHBondContact OE1-CE 3.15Å; E257-K259 IonicContact OE1-NZ 2.72Å; E257-K259 PolarHBondContact OE1-NZ 3.29Å; E257-K259 IonicContact OE2-NZ 3.62Å
258Q64.2Low59.6Low162 Ų162134 Ų13476%0.75775%0.753SS**  trans-81.693.9170.9-170.4171.611.500110.4V256 L260V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.08Å; Q258-L260 PolarHBondContact O-N 3.32Å; Q258-L260 VanDerWaalsContact O-N 3.17Å
259K58.4Low59.1Low161 Ų161134.6 Ų134.670%0.776%0.758SS**  trans-64.1112.3173-66-179.9-178175.10109.9E257E257-K259 HydrophobicContact CG-CG 4.3Å; E257-K259 PolarHBondContact O-N 3.24Å; E257-K259 WeakPolarHBondContact OE1-CE 3.15Å; E257-K259 IonicContact OE1-NZ 2.72Å; E257-K259 PolarHBondContact OE1-NZ 3.29Å; E257-K259 IonicContact OE2-NZ 3.62Å
260L64.1Low58.9Low118 Ų118134.3 Ų134.362%0.61875%0.754SS**  trans-83.3127168.4-66.8174.8000109Q258 F262Q258-L260 PolarHBondContact O-N 3.32Å; Q258-L260 VanDerWaalsContact O-N 3.17Å; L260-F262 HydrophobicContact CB-CE2 4.17Å; L260-F262 HydrophobicContact CB-CZ 3.98Å; L260-F262 WeakPolarHBondContact O-CD2 3.16Å; L260-F262 WeakPolarHBondContact O-CE2 3.38Å
261D60Low58.8Low140 Ų140135.6 Ų135.675%0.74975%0.752SS**  trans-82.8131171.1-176.15.2000109.9S263D261-S263 VanDerWaalsContact OD1-CB 3.27Å; D261-S263 WeakPolarHBondContact OD1-CB 3.49Å; D261-S263 PolarHBondContact OD1-N 2.92Å
262F58.2Low59.2Low148 Ų148141.3 Ų141.365%0.64976%0.759SS**  trans-10611.3-177.9-64-76000113.2L260 S264 V265L260-F262 HydrophobicContact CB-CE2 4.17Å; L260-F262 HydrophobicContact CB-CZ 3.98Å; L260-F262 WeakPolarHBondContact O-CD2 3.16Å; L260-F262 WeakPolarHBondContact O-CE2 3.38Å; F262-S264 PolarHBondContact O-N 3.46Å; F262-V265 HydrophobicContact CB-CG2 4.27Å; F262-V265 HydrophobicContact CD1-CG2 4.18Å; F262-V265 PolarHBondContact O-N 3.41Å
263S62.8Low59.4Low108 Ų108138.9 Ų138.976%0.75576%0.756SS**THydrogen-bonded Turntrans-60.52.6-173.5-167.80000116.8D261D261-S263 VanDerWaalsContact OD1-CB 3.27Å; D261-S263 WeakPolarHBondContact OD1-CB 3.49Å; D261-S263 PolarHBondContact OD1-N 2.92Å
264S61.9Low59.1Low107 Ų107140.2 Ų140.275%0.74876%0.759SS**THydrogen-bonded Turntrans-1267179.262.10000115.3F262 Q266F262-S264 PolarHBondContact O-N 3.46Å; S264-Q266 VanDerWaalsContact C-N 3.32Å; S264-Q266 PolarHBondContact O-N 3.17Å
265V57.8Low59.2Low113 Ų113136.7 Ų136.769%0.68575%0.75SS**  trans-78.674.9-178.2-171.90000111.9F262F262-V265 HydrophobicContact CB-CG2 4.27Å; F262-V265 HydrophobicContact CD1-CG2 4.18Å; F262-V265 PolarHBondContact O-N 3.41Å
266Q62.5Low59.1Low173 Ų173138.9 Ų138.981%0.80875%0.754SS**  trans-81117.6172.8-166.1177.816.300111S264 K268S264-Q266 VanDerWaalsContact C-N 3.32Å; S264-Q266 PolarHBondContact O-N 3.17Å; Q266-K268 PolarHBondContact O-N 2.8Å; Q266-K268 VanDerWaalsContact O-N 3.13Å
267S54.2Low58.9Low106 Ų106139.5 Ų139.574%0.74175%0.748SS**  trans-71.7104.2-174.549.20000113.1C269S267-C269 PolarHBondContact O-N 3.34Å
268K59.9Low59Low211 Ų211141.4 Ų141.492%0.91775%0.754SS**  trans-74.336177.1-64.3-176.2178.7177.80114.1Q266 G270Q266-K268 PolarHBondContact O-N 2.8Å; Q266-K268 VanDerWaalsContact O-N 3.13Å; K268-G270 VanDerWaalsContact C-N 3.34Å; K268-G270 PolarHBondContact O-N 2.98Å
269C50.6Low58.7Low114 Ų114138.3 Ų138.377%0.7775%0.748SS**  trans-81.578.5177.1-165.70000110.8S267 S271S267-C269 PolarHBondContact O-N 3.34Å; C269-S271 PolarHBondContact O-N 3.01Å
270G57.2Low58.6Low72 Ų72134.5 Ų134.574%0.74275%0.754SS**  trans-75.542.4-175.300000116K268 K272K268-G270 VanDerWaalsContact C-N 3.34Å; K268-G270 PolarHBondContact O-N 2.98Å; G270-K272 PolarHBondContact O-N 3.48Å; G270-K272 VanDerWaalsContact O-N 3.13Å
271S51.1Low58.1Low103 Ų103132.7 Ų132.772%0.7276%0.764SS**  trans-77.496.4173.6-167.70000110.1C269C269-S271 PolarHBondContact O-N 3.01Å
272K61.2Low57.9Low181 Ų181128.6 Ų128.679%0.78775%0.754SS**  trans-124.5-7.8-173.1-107.1-175.1177.1179.60116.6G270G270-K272 PolarHBondContact O-N 3.48Å; G270-K272 VanDerWaalsContact O-N 3.13Å
273D61.7Low57.9Low162 Ų162128.7 Ų128.787%0.86676%0.762SS**SBendtrans-97.4104.8-179.7-68.6-63.2000112
274N56.2Low57.8Low152 Ų152129.2 Ų129.281%0.81376%0.76SS**SBendtrans10418.4173.3-15025000118.5
275V58.7Low57.6Low108 Ų108130.9 Ų130.966%0.65576%0.756SS**  trans-105.984.7161.1-175.90000109.9H277V275-H277 HydrophobicContact CG1-CB 3.89Å; V275-H277 PolarHBondContact O-N 3.46Å
276K59.2Low57.8Low203 Ų203132.5 Ų132.588%0.88376%0.76SS**  trans-73.1-0.5170-84.2-177.3177.9174.70113.7K278K276-K278 PolarHBondContact O-N 2.95Å
277H58.4Low57.8Low139 Ų139130 Ų13064%0.64475%0.751SS**  trans-70.396.7164.7-176.3-103.9000109.3V275 P279V275-H277 HydrophobicContact CG1-CB 3.89Å; V275-H277 PolarHBondContact O-N 3.46Å; H277-P279 WeakPolarHBondContact O-CD 3.38Å
278K60.6Low58.1Low189 Ų189132.8 Ų132.882%0.82276%0.757SS**  trans-69.5109.7154-73.7-170.2176.4-1730106.8K276 G280K276-K278 PolarHBondContact O-N 2.95Å; K278-G280 PolarHBondContact O-N 2.94Å; K278-G280 VanDerWaalsContact O-N 3.1Å
279P57.9Low58.3Low97 Ų97130.7 Ų130.763%0.6375%0.748SS**  trans-58.8120.1159.127.2-32.4000106.5H277 G281H277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-G281 PolarHBondContact O-N 3.48Å
280G56.1Low58.9Low80 Ų80133.5 Ų133.583%0.82575%0.748SS**  trans-72.468.3179.100000110.8K278 G282K278-G280 PolarHBondContact O-N 2.94Å; K278-G280 VanDerWaalsContact O-N 3.1Å; G280-G282 PolarHBondContact O-N 2.93Å
281G53Low59.1Low80 Ų80136.6 Ų136.683%0.82575%0.747SS**  trans-69.261.6175.900000111.7P279P279-G281 PolarHBondContact O-N 3.48Å
282G56.2Low59.7Low54 Ų54137.4 Ų137.456%0.55774%0.743SS**  trans-61142.6164.900000109.1G280 V284G280-G282 PolarHBondContact O-N 2.93Å; G282-V284 VanDerWaalsContact C-N 3.29Å; G282-V284 PolarHBondContact O-N 3.09Å
283N59.6Low59.7Low150 Ų150134.4 Ų134.480%0.80274%0.735SS**  trans-74.384.4180-166.39.7000109.2Q285N283-Q285 PolarHBondContact O-N 3.35Å
284V60.3Low59.9Low120 Ų120131.6 Ų131.673%0.72773%0.727SS**  trans-73.780.3-179.3-172.60000109.4G282 I286G282-V284 VanDerWaalsContact C-N 3.29Å; G282-V284 PolarHBondContact O-N 3.09Å; V284-I286 HydrophobicContact CG1-CG1 4.18Å; V284-I286 PolarHBondContact O-N 2.94Å
285Q57.8Low60.2Low141 Ų141131.9 Ų131.966%0.65973%0.729SS**  trans-59.8114.3151.8-70.4-178.9-15.200107.1N283 L287N283-Q285 PolarHBondContact O-N 3.35Å; Q285-L287 PolarHBondContact O-N 2.83Å
286I61.2Low60.4Low148 Ų148132.1 Ų132.176%0.75973%0.731SS**  trans-74.278.6171.5-55.4177.9000107.2V284V284-I286 HydrophobicContact CG1-CG1 4.18Å; V284-I286 PolarHBondContact O-N 2.94Å
287L62.2Low60.6Low120 Ų120130.5 Ų130.563%0.62873%0.726SS**  trans-76.3115.7164.5-83.1159.8000107.4Q285 K289Q285-L287 PolarHBondContact O-N 2.83Å; L287-K289 PolarHBondContact O-N 3.44Å
288D61Low60.4Low164 Ų164128 Ų12888%0.87773%0.73SS**  trans-70.860172.8-104.3-36.7000111.7K290D288-K290 PolarHBondContact O-N 3.12Å
289K63.3Low60.3Low167 Ų167130 Ų13073%0.72673%0.732SS**  trans-86.892166.3-81.9-169.6171.7-177.60108.6L287 L291L287-K289 PolarHBondContact O-N 3.44Å; K289-L291 PolarHBondContact O-N 2.78Å
290K63.2Low60Low173 Ų173130.3 Ų130.375%0.75274%0.736SS**  trans-37.1109.9167.7177.7178.1167.9-70.90110.5D288 D292D288-K290 PolarHBondContact O-N 3.12Å; K290-D292 IonicContact NZ-OD1 3.33Å; K290-D292 PolarHBondContact NZ-OD1 2.87Å; K290-D292 PolarHBondContact O-N 3.2Å
291L62.1Low60Low138 Ų138130.6 Ų130.672%0.72374%0.738SS**  trans-80111.9-173.9-140.579.3000109.7K289 L293K289-L291 PolarHBondContact O-N 2.78Å; L291-L293 HydrophobicContact CD2-CD2 4.16Å; L291-L293 PolarHBondContact O-N 3.06Å
292D64.9Low60Low120 Ų120131.3 Ų131.364%0.64273%0.731SS**  trans-78.293.2176.1-76.8-22000110.4K290 S294K290-D292 IonicContact NZ-OD1 3.33Å; K290-D292 PolarHBondContact NZ-OD1 2.87Å; K290-D292 PolarHBondContact O-N 3.2Å; D292-S294 PolarHBondContact O-N 3.14Å
293L60.3Low60.3Low118 Ų118138 Ų13862%0.61874%0.744SS**  trans-69.68.6-173.3-69.6162.9000115.1L291 N295 V296L291-L293 HydrophobicContact CD2-CD2 4.16Å; L291-L293 PolarHBondContact O-N 3.06Å; L293-N295 PolarHBondContact O-N 2.91Å; L293-V296 HydrophobicContact CB-CG2 4.46Å; L293-V296 HydrophobicContact CD2-CG2 3.91Å; L293-V296 PolarHBondContact O-N 2.89Å
294S65.4Low60.3Low102 Ų102138.2 Ų138.271%0.71375%0.746SS**THydrogen-bonded Turntrans-57-22.3-167.2-49.10000115.7D292D292-S294 PolarHBondContact O-N 3.14Å
295N63.4Low60.1Low158 Ų158140 Ų14085%0.84575%0.751SS**THydrogen-bonded Turntrans-119.116.6-173.8-70.4-46.1000114.5L293 Q297L293-N295 PolarHBondContact O-N 2.91Å; N295-Q297 PolarHBondContact O-N 2.82Å
296V61.4Low59.9Low114 Ų114140.6 Ų140.669%0.69176%0.758SS**  trans-77.483.9-179.7-175.40000111.5L293 A298L293-V296 HydrophobicContact CB-CG2 4.46Å; L293-V296 HydrophobicContact CD2-CG2 3.91Å; L293-V296 PolarHBondContact O-N 2.89Å; V296-A298 PolarHBondContact O-N 3.18Å
297Q64.9Low59.8Low168 Ų168143.2 Ų143.279%0.78576%0.764SS**  trans-82.6108.7174.7-168.918062.800111.6N295 R299N295-Q297 PolarHBondContact O-N 2.82Å; Q297-R299 PolarHBondContact O-N 2.8Å; Q297-R299 VanDerWaalsContact O-N 3.14Å
298A53.1Low59.6Low88 Ų88144.2 Ų144.273%0.72777%0.765SS**  trans-64.7110.7-179.900000112.7V296 C300V296-A298 PolarHBondContact O-N 3.18Å; A298-C300 PolarHBondContact O-N 3.03Å
299R58.9Low59.6Low231 Ų231145.6 Ų145.687%0.87276%0.763SS**  trans-80.858.4174-71.9-171.4169.7-173.9-2.8112.5Q297 G301Q297-R299 PolarHBondContact O-N 2.8Å; Q297-R299 VanDerWaalsContact O-N 3.14Å; R299-G301 PolarHBondContact O-N 2.86Å; R299-G301 VanDerWaalsContact O-N 3.08Å
300C52.1Low59.3Low103 Ų103142.4 Ų142.470%0.69676%0.76SS**  trans-73.695.6169.8-170.70000109.9A298 S302A298-C300 PolarHBondContact O-N 3.03Å; C300-S302 VanDerWaalsContact C-N 3.27Å; C300-S302 PolarHBondContact O-N 3.28Å
301G56.8Low58.7Low85 Ų85138 Ų13888%0.87676%0.764SS**  trans-80.353.3-175.700000114.8R299R299-G301 PolarHBondContact O-N 2.86Å; R299-G301 VanDerWaalsContact O-N 3.08Å
302S52Low58Low96 Ų96135.3 Ų135.367%0.67177%0.768SS**  trans-129.1103.5169.2-173.10000109.2C300C300-S302 VanDerWaalsContact C-N 3.27Å; C300-S302 PolarHBondContact O-N 3.28Å
303K62.1Low57.3Low194 Ų194132.4 Ų132.484%0.84377%0.767SS**  trans-137.915.6-169.2-94.1-163.7175.2-175.90116.2
304D60.1Low57Low155 Ų155138 Ų13883%0.82978%0.78SS**SBendtrans-97.7118.5170.9-67.8-63.9000111.2
305N55.1Low56.6Low158 Ų158138.9 Ų138.985%0.84578%0.781SS**SBendtrans61.641.2169.1-79.5-33000120
306L54.9Low55.9Low152 Ų152139.9 Ų139.980%0.79678%0.778SS**  trans-114.387.1155.8-89.1165.6000112.1H308L306-H308 HydrophobicContact CD2-CB 4.41Å; L306-H308 PolarHBondContact O-N 3Å
307K59.6Low55.6Low204 Ų204141.7 Ų141.789%0.88778%0.782SS**  trans-74.931.9167.9-72.4-173.91781770112.9K309K307-K309 PolarHBondContact O-N 2.97Å
308H57.4Low55.1Low141 Ų141140.6 Ų140.665%0.65378%0.781SS**  trans-78.2103.6175.7-174.7-109.1000109.9L306 P310L306-H308 HydrophobicContact CD2-CB 4.41Å; L306-H308 PolarHBondContact O-N 3Å; H308-P310 WeakPolarHBondContact O-CD 3.27Å
309K61.3Low55.3Low193 Ų193143.5 Ų143.584%0.83978%0.784SS**  trans-83.2102.9163.3-77.5-84-170.8171.30107.4K307 G311K307-K309 PolarHBondContact O-N 2.97Å; K309-G311 PolarHBondContact O-N 2.72Å; K309-G311 VanDerWaalsContact O-N 3.12Å
310P56.5Low55.1Low100 Ų100139.8 Ų139.865%0.64978%0.777SS**  trans-62.5118.1172.726.4-33.5000108.9H308 G312H308-P310 WeakPolarHBondContact O-CD 3.27Å; P310-G312 VanDerWaalsContact C-N 3.29Å; P310-G312 PolarHBondContact O-N 2.79Å
311G49.8Very low55.3Low81 Ų81143 Ų14384%0.83578%0.779SS**  trans-73.180.2-18000000111.3K309 G313K309-G311 PolarHBondContact O-N 2.72Å; K309-G311 VanDerWaalsContact O-N 3.12Å; G311-G313 VanDerWaalsContact C-N 3.27Å; G311-G313 PolarHBondContact O-N 2.85Å
312G47.8Very low55.4Low80 Ų80144 Ų14483%0.82576%0.764SS**  trans-66.777.9179.100000112.9P310P310-G312 VanDerWaalsContact C-N 3.29Å; P310-G312 PolarHBondContact O-N 2.79Å
313G49.8Very low55.4Low60 Ų60146 Ų14662%0.61977%0.766SS**  trans-64132.9170.400000110.9G311 V315G311-G313 VanDerWaalsContact C-N 3.27Å; G311-G313 PolarHBondContact O-N 2.85Å; G313-V315 PolarHBondContact O-N 3.41Å
314R54.6Low55.1Low235 Ų235143.3 Ų143.389%0.88776%0.755SS**  trans-70.491.1175.5-178-174.2-71.9174.1-4.2109.5K316R314-K316 PolarHBondContact O-N 3.35Å
315V57.3Low55Low121 Ų121141.3 Ų141.373%0.73375%0.753SS**  trans-68.996174.7-172.20000109.2G313 I317G313-V315 PolarHBondContact O-N 3.41Å; V315-I317 HydrophobicContact CG1-CG1 3.82Å; V315-I317 PolarHBondContact O-N 3.49Å; V315-I317 VanDerWaalsContact O-N 3.13Å
316K49.1Very low55.1Low178 Ų178139.7 Ų139.777%0.77475%0.749SS**  trans-7098.6157.5-84.4-169.2171.4-171.60107.3R314 L318R314-K316 PolarHBondContact O-N 3.35Å; K316-L318 PolarHBondContact O-N 3.36Å; K316-L318 VanDerWaalsContact O-N 3.08Å
317I55.3Low55Low152 Ų152137.3 Ų137.378%0.77974%0.741SS**  trans-69.9101.6163.6-57.7178.6000106.1V315 D319V315-I317 HydrophobicContact CG1-CG1 3.82Å; V315-I317 PolarHBondContact O-N 3.49Å; V315-I317 VanDerWaalsContact O-N 3.13Å; I317-D319 PolarHBondContact O-N 2.73Å
318L53.7Low54.7Low145 Ų145135.8 Ų135.876%0.75974%0.737SS**  trans-77.8105.4164.3-75.7168.2000106.8K316 Q320K316-L318 PolarHBondContact O-N 3.36Å; K316-L318 VanDerWaalsContact O-N 3.08Å; L318-Q320 PolarHBondContact O-N 3.32Å
319D57.5Low54.3Low149 Ų149134.4 Ų134.480%0.79774%0.743SS**  trans-71.972.7165.5-176.824000109.3I317 K321I317-D319 PolarHBondContact O-N 2.73Å; D319-K321 VanDerWaalsContact C-N 3.32Å; D319-K321 PolarHBondContact O-N 3.2Å; D319-K321 VanDerWaalsContact O-N 3.14Å
320Q54.7Low53.9Low154 Ų154134.8 Ų134.872%0.7275%0.745SS**  trans-81.787.4170.1-172.1172.111.400107.9L318 L322L318-Q320 PolarHBondContact O-N 3.32Å; Q320-L322 PolarHBondContact O-N 2.89Å
321K55.1Low53.5Low170 Ų170135.9 Ų135.974%0.73975%0.753SS**  trans-52.1101.1174.3-175.7-178.9176.5-175.30110.8D319D319-K321 VanDerWaalsContact C-N 3.32Å; D319-K321 PolarHBondContact O-N 3.2Å; D319-K321 VanDerWaalsContact O-N 3.14Å
322L59.1Low53.3Low107 Ų107135 Ų13556%0.5674%0.744SS**  trans-80120.3173.4-74.5165.5000108.9Q320 F324Q320-L322 PolarHBondContact O-N 2.89Å; L322-F324 HydrophobicContact CB-CD1 4.28Å; L322-F324 HydrophobicContact CB-CD2 4.22Å; L322-F324 HydrophobicContact CB-CE1 3.78Å; L322-F324 HydrophobicContact CB-CE2 3.71Å; L322-F324 HydrophobicContact CB-CG 4.5Å; L322-F324 HydrophobicContact CB-CZ 3.48Å; L322-F324 VanDerWaalsContact CB-CZ 3.48Å; L322-F324 HydrophobicContact CD1-CE1 4Å; L322-F324 HydrophobicContact CD1-CE2 4.5Å; L322-F324 HydrophobicContact CD1-CZ 3.62Å; L322-F324 HydrophobicContact CG-CZ 4.19Å; L322-F324 WeakPolarHBondContact O-CD2 3.36Å; L322-F324 PolarHBondContact O-N 2.75Å
323D53.1Low53.2Low136 Ų136136.1 Ų136.173%0.72774%0.739SS**  trans-73.888.5176.3-85.1-30000111S325D323-S325 PolarHBondContact O-N 2.84Å
324F54.2Low53.4Low139 Ų139142 Ų14261%0.6175%0.748SS**  trans-76.240.7-178.6-63.4-63.8000114.4L322 T326 V327L322-F324 HydrophobicContact CB-CD1 4.28Å; L322-F324 HydrophobicContact CB-CD2 4.22Å; L322-F324 HydrophobicContact CB-CE1 3.78Å; L322-F324 HydrophobicContact CB-CE2 3.71Å; L322-F324 HydrophobicContact CB-CG 4.5Å; L322-F324 HydrophobicContact CB-CZ 3.48Å; L322-F324 VanDerWaalsContact CB-CZ 3.48Å; L322-F324 HydrophobicContact CD1-CE1 4Å; L322-F324 HydrophobicContact CD1-CE2 4.5Å; L322-F324 HydrophobicContact CD1-CZ 3.62Å; L322-F324 HydrophobicContact CG-CZ 4.19Å; L322-F324 WeakPolarHBondContact O-CD2 3.36Å; L322-F324 PolarHBondContact O-N 2.75Å; F324-T326 PolarHBondContact O-N 2.86Å; F324-V327 HydrophobicContact CB-CB 4.48Å; F324-V327 HydrophobicContact CB-CG2 4.42Å; F324-V327 HydrophobicContact CD1-CB 4.5Å; F324-V327 HydrophobicContact CD1-CG2 3.86Å; F324-V327 PolarHBondContact O-N 3.22Å
325S59.4Low53.5Low112 Ų112138.9 Ų138.978%0.78375%0.749SS**THydrogen-bonded Turntrans-62.6-9-17766.70000115.1D323D323-S325 PolarHBondContact O-N 2.84Å
326T57.4Low53.4Low125 Ų125140 Ų14077%0.76775%0.751SS**THydrogen-bonded Turntrans-131.76.7-171.944.50000114.9F324 Q328F324-T326 PolarHBondContact O-N 2.86Å; T326-Q328 PolarHBondContact O-N 3.1Å
327V52Low53.6Low101 Ų101137.2 Ų137.261%0.61274%0.743SS**  trans-9695.8-179-176.20000111.6F324F324-V327 HydrophobicContact CB-CB 4.48Å; F324-V327 HydrophobicContact CB-CG2 4.42Å; F324-V327 HydrophobicContact CD1-CB 4.5Å; F324-V327 HydrophobicContact CD1-CG2 3.86Å; F324-V327 PolarHBondContact O-N 3.22Å
328Q54.2Low53.3Low173 Ų173138 Ų13881%0.80874%0.741SS**  trans-86.7114.3169.8-71.4-173.4-11.100111.5T326 K330T326-Q328 PolarHBondContact O-N 3.1Å; Q328-K330 PolarHBondContact O-N 2.84Å
329S48.2Very low52.9Low112 Ų112138.3 Ų138.378%0.78374%0.738SS**  trans-76.198.5177.844.20000112.2C331S329-C331 PolarHBondContact O-N 2.76Å
330K53.3Low52.4Low201 Ų201135.3 Ų135.387%0.87473%0.734SS**  trans-77.959175.6-68.7-173.7177.3179.10113.3Q328Q328-K330 PolarHBondContact O-N 2.84Å
331C47.1Very low52.3Low122 Ų122132.9 Ų132.982%0.82473%0.732SS**  trans-99.573167.8-164.30000110.2S329S329-C331 PolarHBondContact O-N 2.76Å
332G46.5Very low51.6Low63 Ų63128.5 Ų128.565%0.64974%0.735SS**  trans-10496.7178.300000111.3
333S46.4Very low51Low103 Ų103127.1 Ų127.172%0.7275%0.746SS**  trans-133.187.8178.6-171.70000112.1
334K52.8Low50.7Low184 Ų184124.5 Ų124.580%0.875%0.751SS**SBendtrans-152.7135.6148.2-68.9-158.2178-179.70108.5N336K334-N336 PolarHBondContact O-N 2.92Å
335D58.1Low50.1Low169 Ų169124.5 Ų124.590%0.90476%0.758SS**SBendtrans-81.488-164.3-61.6-79.2000115.1
336N55.2Low49.6Very low145 Ų145125.1 Ų125.178%0.77576%0.757SS**  trans-151.944.7138.7-162.10.2000111.7K334K334-N336 PolarHBondContact O-N 2.92Å
337I51.4Low49.2Very low120 Ų120126.6 Ų126.662%0.61576%0.755SS**  trans-94.8111.3174.8-60.2171.1000107.9H339I337-H339 PolarHBondContact O-N 3.37Å
338K49.9Very low49.3Very low168 Ų168127.8 Ų127.873%0.7376%0.756SS**  trans-65.881.6171-69-178.8-179.1175.50109.1A340 D397K338-A340 PolarHBondContact O-N 3.34Å; K338-D397 IonicContact NZ-OD2 2.79Å; K338-D397 PolarHBondContact NZ-OD2 3.36Å
339H44.3Very low49.4Very low151 Ų151126 Ų12670%0.69975%0.752SS**  trans-68.195.9-174.8175.9-99.9000111.6I337 P341I337-H339 PolarHBondContact O-N 3.37Å; H339-P341 WeakPolarHBondContact O-CD 3.17Å
340A48.3Very low49.7Very low86 Ų86127.2 Ų127.271%0.71175%0.749SS**  trans-83.3113.416200000108.7K338 G342K338-A340 PolarHBondContact O-N 3.34Å; A340-G342 VanDerWaalsContact C-N 3.34Å; A340-G342 PolarHBondContact O-N 3.08Å
341P51.9Low49.7Very low104 Ų104126.2 Ų126.268%0.67575%0.745SS**  trans-70.888.9176.828.2-33.7000110.4H339 G343H339-P341 WeakPolarHBondContact O-CD 3.17Å; P341-G343 PolarHBondContact O-N 3.13Å; P341-G343 VanDerWaalsContact O-N 3.12Å
342G41.5Very low50.2Low78 Ų78128.1 Ų128.180%0.80474%0.739SS**  trans-62.4109.6172.200000110.4A340A340-G342 VanDerWaalsContact C-N 3.34Å; A340-G342 PolarHBondContact O-N 3.08Å
343G45.1Very low50.6Low77 Ų77131.5 Ų131.579%0.79474%0.742SS**  trans-75.4144.5-171.100000114.4P341P341-G343 PolarHBondContact O-N 3.13Å; P341-G343 VanDerWaalsContact O-N 3.12Å
344G46.5Very low51Low81 Ų81131.6 Ų131.684%0.83573%0.734SS**  trans8176.5148.100000118.4
345N42.9Very low51.1Low140 Ų140127.9 Ų127.975%0.74972%0.723SS**  -161.998.4119.4-165-3.8000110.6
346V47.9Very low51.3Low125 Ų125124.9 Ų124.976%0.75872%0.715SS**  trans-100.190.7173.5-173.90000108.5I348V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 HydrophobicContact CG1-CG1 3.9Å; V346-I348 PolarHBondContact O-N 3.36Å
347Q49.6Very low51.5Low155 Ų155123 Ų12372%0.72471%0.713SS**  trans-69.794.9164.2-86.9-172.6-19.200109.1L349Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.43Å
348I55Low51.7Low126 Ų126122.2 Ų122.265%0.64671%0.713SS**  trans-70.393.5165.2-55.5179.9000106.8V346 D350V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 HydrophobicContact CG1-CG1 3.9Å; V346-I348 PolarHBondContact O-N 3.36Å; I348-D350 PolarHBondContact O-N 3.03Å
349L54.8Low52.1Low136 Ų136122.3 Ų122.371%0.71272%0.716SS**  trans-7086.5168-81.2169.5000108.4Q347 K351Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.43Å; L349-K351 PolarHBondContact O-N 2.88Å
350D54.8Low52.5Low137 Ų137119.9 Ų119.973%0.73372%0.716SS**  trans-71.270.6178.2-163.66.1000110.7I348 K352I348-D350 PolarHBondContact O-N 3.03Å; D350-K352 PolarHBondContact O-N 3.02Å
351K53.5Low52.7Low181 Ų181127.6 Ų127.679%0.78773%0.727SS**  trans-70.978.2173-78.9-171.1173.6-177.30108.7L349 L353L349-K351 PolarHBondContact O-N 2.88Å; K351-L353 VanDerWaalsContact C-N 3.32Å; K351-L353 PolarHBondContact O-N 2.88Å
352K58.3Low52.6Low161 Ų161126.9 Ų126.970%0.772%0.724SS**  trans-53.692.9171.4-176.5-179.6174.4-66.80109.9D350 D354D350-K352 PolarHBondContact O-N 3.02Å; K352-D354 IonicContact NZ-OD2 3.92Å; K352-D354 PolarHBondContact O-N 3.13Å
353L54.4Low53.1Low135 Ų135127.4 Ų127.471%0.70773%0.729SS**  trans-67.4113.8-178.3-165.670.1000108.5K351 L355K351-L353 VanDerWaalsContact C-N 3.32Å; K351-L353 PolarHBondContact O-N 2.88Å; L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 HydrophobicContact CB-CG 4.49Å; L353-L355 HydrophobicContact CD2-CD1 4.33Å; L353-L355 HydrophobicContact CD2-CD2 3.82Å; L353-L355 HydrophobicContact CD2-CG 4.16Å; L353-L355 HydrophobicContact CG-CD2 4.01Å; L353-L355 HydrophobicContact CG-CG 4.19Å; L353-L355 PolarHBondContact O-N 3.03Å
354D54.4Low53.1Low105 Ų105127 Ų12756%0.56172%0.715SS**  trans-80.980.4-172-149.7-38.8000111.7K352 S356K352-D354 IonicContact NZ-OD2 3.92Å; K352-D354 PolarHBondContact O-N 3.13Å; D354-S356 PolarHBondContact O-N 3.09Å; D354-S356 VanDerWaalsContact O-N 3.15Å; D354-S356 WeakPolarHBondContact OD1-CB 2.99Å; D354-S356 PolarHBondContact OD1-N 3.31Å; D354-S356 PolarHBondContact OD1-OG 3.38Å
355L56.1Low53.7Low106 Ų106133.1 Ų133.156%0.55572%0.718SS**  trans-8023.9-179.5-62.2178000113.2L353 S357 V358L353-L355 VanDerWaalsContact C-N 3.31Å; L353-L355 HydrophobicContact CB-CG 4.49Å; L353-L355 HydrophobicContact CD2-CD1 4.33Å; L353-L355 HydrophobicContact CD2-CD2 3.82Å; L353-L355 HydrophobicContact CD2-CG 4.16Å; L353-L355 HydrophobicContact CG-CD2 4.01Å; L353-L355 HydrophobicContact CG-CG 4.19Å; L353-L355 PolarHBondContact O-N 3.03Å; L355-S357 PolarHBondContact O-N 2.8Å; L355-S357 VanDerWaalsContact O-N 3.09Å; L355-V358 HydrophobicContact CB-CB 4.48Å; L355-V358 HydrophobicContact CB-CG2 3.83Å; L355-V358 HydrophobicContact CD2-CG2 3.93Å; L355-V358 HydrophobicContact CG-CG2 4.4Å; L355-V358 WeakPolarHBondContact O-CB 3.42Å; L355-V358 PolarHBondContact O-N 3.25Å
356S62.5Low54.5Low105 Ų105133.2 Ų133.273%0.73472%0.719SS**THydrogen-bonded Turntrans-62.5-13.6-178.944.30000114.6D354D354-S356 PolarHBondContact O-N 3.09Å; D354-S356 VanDerWaalsContact O-N 3.15Å; D354-S356 WeakPolarHBondContact OD1-CB 2.99Å; D354-S356 PolarHBondContact OD1-N 3.31Å; D354-S356 PolarHBondContact OD1-OG 3.38Å
357S58.3Low54.8Low107 Ų107133.6 Ų133.675%0.74872%0.716SS**THydrogen-bonded Turntrans-93.3-3172.560.80000114.9L355 Q359L355-S357 PolarHBondContact O-N 2.8Å; L355-S357 VanDerWaalsContact O-N 3.09Å; S357-Q359 VanDerWaalsContact C-N 3.28Å; S357-Q359 PolarHBondContact O-N 3.19Å
358V55.9Low55.3Low102 Ų102132.6 Ų132.662%0.61872%0.715SS**  trans-79.973.9-178.1-173.80000110.9L355 S360L355-V358 HydrophobicContact CB-CB 4.48Å; L355-V358 HydrophobicContact CB-CG2 3.83Å; L355-V358 HydrophobicContact CD2-CG2 3.93Å; L355-V358 HydrophobicContact CG-CG2 4.4Å; L355-V358 WeakPolarHBondContact O-CB 3.42Å; L355-V358 PolarHBondContact O-N 3.25Å; V358-S360 PolarHBondContact O-N 2.94Å
359Q57.7Low55.6Low170 Ų170135.4 Ų135.479%0.79472%0.722SS**  trans-77.9106.3171.1-163.4176.545.500109.8S357 R361S357-Q359 VanDerWaalsContact C-N 3.28Å; S357-Q359 PolarHBondContact O-N 3.19Å; Q359-R361 PolarHBondContact O-N 2.96Å; Q359-R361 VanDerWaalsContact O-N 3.15Å
360S52.5Low55.8Low100 Ų100135.7 Ų135.770%0.69972%0.719SS**  trans-64.6113.6-179.249.20000111.3V358 C362V358-S360 PolarHBondContact O-N 2.94Å; S360-C362 PolarHBondContact O-N 2.93Å
361R53Low56.2Low248 Ų248135.2 Ų135.294%0.93672%0.721SS**  trans-78.346.2175.6-74.6-174.6163.1149.3-1.6112.6Q359Q359-R361 PolarHBondContact O-N 2.96Å; Q359-R361 VanDerWaalsContact O-N 3.15Å
362C50.5Low56.3Low90 Ų90131.2 Ų131.261%0.60871%0.714SS**  trans-81.2121.6168.6-167.30000109S360 S364S360-C362 PolarHBondContact O-N 2.93Å; C362-S364 PolarHBondContact O-N 3.14Å; C362-S364 VanDerWaalsContact O-N 3.08Å
363G52.4Low56.1Low89 Ų89127.4 Ų127.492%0.91872%0.72SS**SBendtrans-8027.7-168.800000116.6
364S44Very low56.2Low69 Ų69124.4 Ų124.448%0.48372%0.722SS.*  trans-118106.3179.148.30000110.7C362 D366C362-S364 PolarHBondContact O-N 3.14Å; C362-S364 VanDerWaalsContact O-N 3.08Å; S364-D366 VanDerWaalsContact C-N 3.26Å; S364-D366 PolarHBondContact O-N 2.95Å
365K59.1Low56.2Low208 Ų208122.9 Ų122.990%0.90473%0.731SS**  trans-85.522.3-171.1-86.9-168.4172.1-174.20115.1
366D59.5Low56.3Low143 Ų143124.6 Ų124.677%0.76574%0.741SS**SBendtrans-105.797.6-173.9-67.4-69.4000113.1S364 I368S364-D366 VanDerWaalsContact C-N 3.26Å; S364-D366 PolarHBondContact O-N 2.95Å; D366-I368 PolarHBondContact O-N 3Å
367N55.3Low56.2Low133 Ų133125.2 Ų125.271%0.71174%0.74SS**  trans60.631.8151.1-153.917.3000119.1K369N367-K369 PolarHBondContact O-N 3.25Å
368I60.2Low56.1Low134 Ų134127.8 Ų127.869%0.68774%0.74SS**  trans-75.986169-57.9-179.9000110.4D366 H370D366-I368 PolarHBondContact O-N 3Å; I368-H370 HydrophobicContact CG2-CB 3.73Å; I368-H370 PolarHBondContact O-N 2.97Å
369K59.8Low56.1Low184 Ų184129 Ų12980%0.874%0.742SS**  trans-77.357.8168.4-70.6-171.4178.3-177.90112N367 V371N367-K369 PolarHBondContact O-N 3.25Å; K369-V371 PolarHBondContact O-N 2.79Å; K369-V371 VanDerWaalsContact O-N 3.17Å
370H60.5Low56.2Low142 Ų142126.9 Ų126.966%0.65774%0.74SS**  trans-80.296178.2-179.4-94000111.2I368 P372I368-H370 HydrophobicContact CG2-CB 3.73Å; I368-H370 PolarHBondContact O-N 2.97Å; H370-P372 WeakPolarHBondContact O-CD 3.2Å
371V62.3Low56.1Low127 Ų127129.8 Ų129.877%0.7774%0.742SS**  trans-85111.5162.9-177.40000107.4K369 G373K369-V371 PolarHBondContact O-N 2.79Å; K369-V371 VanDerWaalsContact O-N 3.17Å; V371-G373 PolarHBondContact O-N 2.77Å; V371-G373 VanDerWaalsContact O-N 3.08Å
372P56.5Low56.7Low98 Ų98126.5 Ų126.564%0.63674%0.735SS**  trans-68108.2175.426.8-32.3000109.9H370 G374H370-P372 WeakPolarHBondContact O-CD 3.2Å; P372-G374 PolarHBondContact O-N 3.02Å
373G53.7Low57.3Low80 Ų80131.2 Ų131.283%0.82575%0.745SS**  trans-69.491.9176.500000111.6V371 G375V371-G373 PolarHBondContact O-N 2.77Å; V371-G373 VanDerWaalsContact O-N 3.08Å; G373-G375 PolarHBondContact O-N 3.42Å
374G57.2Low57.9Low73 Ų73133.5 Ų133.575%0.75373%0.734SS**  trans-64129173.700000111.7P372 N376P372-G374 PolarHBondContact O-N 3.02Å; G374-N376 PolarHBondContact O-N 3.49Å
375G53.8Low58.4Low72 Ų72136.8 Ų136.874%0.74275%0.747SS**  trans-70.3126.3179.700000112.4G373 V377G373-G375 PolarHBondContact O-N 3.42Å; G375-V377 PolarHBondContact O-N 3.48Å
376N58.3Low58.8Low143 Ų143132.9 Ų132.977%0.76574%0.735SS**  trans-90.195.5175.6-175.74.6000110.4G374 Q378G374-N376 PolarHBondContact O-N 3.49Å; N376-Q378 PolarHBondContact O-N 3.44Å
377V59.5Low59Low118 Ų118130.5 Ų130.572%0.71573%0.729SS**  trans-93.686.1-175.5-171.80000111.1G375 I379G375-V377 PolarHBondContact O-N 3.48Å; V377-I379 HydrophobicContact CG1-CD1 4.43Å; V377-I379 HydrophobicContact CG1-CG1 3.95Å; V377-I379 PolarHBondContact O-N 2.61Å
378Q55.5Low59.3Low160 Ų160131.3 Ų131.375%0.74873%0.734SS**  trans-81.799.4171.2-86-172.1-15.100111.9N376 V380N376-Q378 PolarHBondContact O-N 3.44Å; Q378-V380 PolarHBondContact O-N 2.9Å
379I57.5Low59.2Low128 Ų128130.7 Ų130.766%0.65674%0.736SS**  trans-82.493.4173.5-52.4-177.6000109.8V377 H381V377-I379 HydrophobicContact CG1-CD1 4.43Å; V377-I379 HydrophobicContact CG1-CG1 3.95Å; V377-I379 PolarHBondContact O-N 2.61Å; I379-H381 PolarHBondContact O-N 3.15Å; I379-H381 VanDerWaalsContact O-N 3.1Å
380V59.2Low59.1Low126 Ų126127.6 Ų127.676%0.76473%0.733SS**  trans-75.398.5175.9-178.10000110Q378 K382Q378-V380 PolarHBondContact O-N 2.9Å; V380-K382 VanDerWaalsContact C-N 3.31Å; V380-K382 PolarHBondContact O-N 2.85Å
381H49.6Very low58.7Low160 Ų160126.2 Ų126.274%0.74174%0.739SS**  trans-76.470.7-172.2-167.2-79.8000113.6I379 K383I379-H381 PolarHBondContact O-N 3.15Å; I379-H381 VanDerWaalsContact O-N 3.1Å; H381-K383 PolarHBondContact O-N 2.88Å
382K66.9Low58.4Low180 Ų180130 Ų13078%0.78375%0.745SS**  trans-70.1112.7172.5-173.6176.4-178179.20110V380 I384V380-K382 VanDerWaalsContact C-N 3.31Å; V380-K382 PolarHBondContact O-N 2.85Å; K382-I384 PolarHBondContact O-N 2.9Å
383K63.4Low58.2Low188 Ų188131 Ų13182%0.81775%0.753SS**  trans-60133.3175.4-66.2-172.8179.5-176.40110.4H381H381-K383 PolarHBondContact O-N 2.88Å
384I63.7Low58.2Low137 Ų137131 Ų13170%0.70375%0.754SS**  trans-115.9125.7171.1-59.8173.3000106.1K382 L386K382-I384 PolarHBondContact O-N 2.9Å; I384-L386 HydrophobicContact CG2-CD2 4.16Å; I384-L386 HydrophobicContact CG2-CG 4.26Å
385D56Low57.5Low138 Ų138131.5 Ų131.574%0.73875%0.746SS**  trans-90.8128.7-178.7-151.9-40.1000109.9S387D385-S387 WeakPolarHBondContact OD1-CB 3.08Å; D385-S387 PolarHBondContact OD1-OG 2.85Å
386L65.6Low57.8Low127 Ų127138.1 Ų138.167%0.66575%0.754SS**  trans-12624.6-168.3-68.5172.5000112.3I384 N388I384-L386 HydrophobicContact CG2-CD2 4.16Å; I384-L386 HydrophobicContact CG2-CG 4.26Å; L386-N388 PolarHBondContact O-N 2.81Å
387S65.3Low57.7Low92 Ų92135.5 Ų135.564%0.64374%0.74SS**THydrogen-bonded Turntrans-62.8-8.2-168.728.10000116.9D385D385-S387 WeakPolarHBondContact OD1-CB 3.08Å; D385-S387 PolarHBondContact OD1-OG 2.85Å
388N61.4Low57.6Low150 Ų150135.9 Ų135.980%0.80274%0.738SS**THydrogen-bonded Turntrans-119.216.7-174.2-74.9-50000115.4L386 T390L386-N388 PolarHBondContact O-N 2.81Å; N388-T390 PolarHBondContact O-N 2.81Å
389V58.1Low57.8Low121 Ų121135 Ų13573%0.73374%0.737SS**  trans-84.5101.5178.9-175.30000111.1
390T57.5Low57.8Low119 Ų119136.7 Ų136.773%0.7374%0.742SS**  trans-121.4125.2172.7600000111.7N388 K392N388-T390 PolarHBondContact O-N 2.81Å; T390-K392 PolarHBondContact O-N 3.33Å
391S50.8Low57.9Low114 Ų114137.6 Ų137.680%0.79774%0.737SS**  trans-92.598.1-174.844.30000112.2C393S391-C393 PolarHBondContact O-N 3.41Å
392K55.9Low58.4Low206 Ų206139.4 Ų139.490%0.89674%0.743SS**  trans-76.160.4170.6-69.9-173.4177.8178.60112.2T390 G394T390-K392 PolarHBondContact O-N 3.33Å; K392-G394 PolarHBondContact O-N 2.92Å; K392-G394 VanDerWaalsContact O-N 3.09Å
393C52.5Low58.1Low118 Ų118135.8 Ų135.880%0.79774%0.738SS**  trans-81.980.3175.9-166.60000110.8S391S391-C393 PolarHBondContact O-N 3.41Å
394G54.3Low57.7Low82 Ų82130.8 Ų130.885%0.84574%0.74SS**  trans-98.989.8176.100000112.2K392K392-G394 PolarHBondContact O-N 2.92Å; K392-G394 VanDerWaalsContact O-N 3.09Å
395S43.6Very low57.5Low83 Ų83127.8 Ų127.858%0.5874%0.743SS**  trans-136.4124.8161.9-155.10000110.7D397S395-D397 VanDerWaalsContact CB-OD1 3.26Å; S395-D397 WeakPolarHBondContact CB-OD1 3.45Å; S395-D397 PolarHBondContact O-N 2.96Å; S395-D397 PolarHBondContact OG-OD1 3.13Å
396K60.2Low57.6Low211 Ų211124.2 Ų124.292%0.91774%0.738SS**  trans-99.573.1176.1-71.6-175.4176.4-177.60108.5N398K396-N398 VanDerWaalsContact C-N 3.28Å; K396-N398 PolarHBondContact O-N 3.1Å
397D56.2Low57.5Low88 Ų88125.5 Ų125.547%0.47175%0.746SS.*  trans-69.178.7-175.7-57.8-19000110.5K338 S395 I399K338-D397 IonicContact NZ-OD2 2.79Å; K338-D397 PolarHBondContact NZ-OD2 3.36Å; S395-D397 VanDerWaalsContact CB-OD1 3.26Å; S395-D397 WeakPolarHBondContact CB-OD1 3.45Å; S395-D397 PolarHBondContact O-N 2.96Å; S395-D397 PolarHBondContact OG-OD1 3.13Å; D397-I399 VanDerWaalsContact C-N 3.31Å; D397-I399 HydrophobicContact CB-CD1 4.38Å; D397-I399 HydrophobicContact CB-CG1 4.31Å; D397-I399 PolarHBondContact O-N 2.96Å
398N55.8Low57.3Low125 Ų125123.4 Ų123.467%0.66873%0.729SS**  trans-78.176.8178.7-174.135.9000111.4K396 H400K396-N398 VanDerWaalsContact C-N 3.28Å; K396-N398 PolarHBondContact O-N 3.1Å; N398-H400 PolarHBondContact ND2-CD2 2.63Å; N398-H400 VanDerWaalsContact ND2-CD2 3.29Å; N398-H400 PolarHBondContact ND2-NE2 3.46Å; N398-H400 VanDerWaalsContact ND2-NE2 3.17Å; N398-H400 PolarHBondContact O-N 3.18Å; N398-H400 VanDerWaalsContact O-N 3.09Å
399I61.2Low57.3Low141 Ų141122.6 Ų122.672%0.72372%0.721SS**  trans-80.989.4-174.8-56173.3000110.4D397 H401D397-I399 VanDerWaalsContact C-N 3.31Å; D397-I399 HydrophobicContact CB-CD1 4.38Å; D397-I399 HydrophobicContact CB-CG1 4.31Å; D397-I399 PolarHBondContact O-N 2.96Å; I399-H401 HydrophobicContact CG2-CB 4.45Å; I399-H401 PolarHBondContact O-N 3.09Å; I399-H401 VanDerWaalsContact O-N 3.15Å
400H57.3Low57.5Low164 Ų164122.5 Ų122.576%0.75971%0.714SS**  trans-74.796.4165.1-78.3-72.9000110.5N398N398-H400 PolarHBondContact ND2-CD2 2.63Å; N398-H400 VanDerWaalsContact ND2-CD2 3.29Å; N398-H400 PolarHBondContact ND2-NE2 3.46Å; N398-H400 VanDerWaalsContact ND2-NE2 3.17Å; N398-H400 PolarHBondContact O-N 3.18Å; N398-H400 VanDerWaalsContact O-N 3.09Å
401H60.3Low57.3Low146 Ų146124.4 Ų124.468%0.67671%0.713SS**  trans-102121.9172.4-179-109000111.2I399I399-H401 HydrophobicContact CG2-CB 4.45Å; I399-H401 PolarHBondContact O-N 3.09Å; I399-H401 VanDerWaalsContact O-N 3.15Å
402K61.1Low57.8Low197 Ų197125.2 Ų125.286%0.85771%0.713SS**  trans-113.6110.7166.5-75.5-113-177.5-178.70107.7G404K402-G404 PolarHBondContact O-N 2.98Å
403P59.8Low58.3Low105 Ų105123.7 Ų123.768%0.68271%0.709SS**  trans-67119.3177.126.3-32.1000109.9G405P403-G405 PolarHBondContact O-N 2.89Å
404G55.4Low58.7Low83 Ų83126.7 Ų126.786%0.85671%0.709SS**  trans-74.4109.5172.300000110.1K402K402-G404 PolarHBondContact O-N 2.98Å
405G59.2Low59.2Low74 Ų74128.2 Ų128.276%0.76370%0.697SS**  trans-87.1145.5179.200000113P403P403-G405 PolarHBondContact O-N 2.89Å
406G58.6Low59.7Low62 Ų62131.5 Ų131.564%0.63970%0.703SS**  trans90.790.1165.500000115.7
407N62.8Low59.3Low155 Ų155129.2 Ų129.283%0.82969%0.693SS**  trans-138.9108.5149.7-171.229.4000109.1
408V60.8Low59.5Low48 Ų48134.4 Ų134.429%0.29171%0.712SS.*  trans-133.3110.2176.7147.30000108.9S8 S10 I410S8-V408 WeakPolarHBondContact O-CG2 3.23Å; S10-V408 VanDerWaalsContact N-CG2 3.3Å; V408-I410 HydrophobicContact CG1-CD1 3.96Å; V408-I410 HydrophobicContact CG1-CG1 3.6Å
409E62.3Low59.4Low133 Ų133134.1 Ų134.162%0.62171%0.714SS**  trans-9989.1-176.4-168.4-166.5-17200109.4K411E409-K411 VanDerWaalsContact CD-CE 3.41Å; E409-K411 PolarHBondContact O-N 2.89Å; E409-K411 WeakPolarHBondContact OE1-CE 3.33Å; E409-K411 IonicContact OE1-NZ 3.42Å; E409-K411 PolarHBondContact OE1-NZ 3.3Å; E409-K411 IonicContact OE2-NZ 3.94Å; E409-K411 PolarHBondContact OE2-NZ 3.12Å
410I61.7Low59.2Low118 Ų118136.4 Ų136.461%0.60572%0.722SS**  trans-83.4107.2178.9-56.3-179.9000109.4V408 T412V408-I410 HydrophobicContact CG1-CD1 3.96Å; V408-I410 HydrophobicContact CG1-CG1 3.6Å; I410-T412 PolarHBondContact O-N 3.23Å
411K54.6Low58.8Low159 Ų159133.3 Ų133.369%0.69172%0.719SS**  trans-88.1103.4176.4-75.2168.6170.1137.40110.7E409 E413E409-K411 VanDerWaalsContact CD-CE 3.41Å; E409-K411 PolarHBondContact O-N 2.89Å; E409-K411 WeakPolarHBondContact OE1-CE 3.33Å; E409-K411 IonicContact OE1-NZ 3.42Å; E409-K411 PolarHBondContact OE1-NZ 3.3Å; E409-K411 IonicContact OE2-NZ 3.94Å; E409-K411 PolarHBondContact OE2-NZ 3.12Å; K411-E413 PolarHBondContact O-N 3.14Å
412T59.8Low58.8Low131 Ų131136.5 Ų136.580%0.80473%0.73SS**  trans-85.199.4172.7500000111.1I410I410-T412 PolarHBondContact O-N 3.23Å
413E67.3Low58.3Low175 Ų175133.2 Ų133.282%0.81873%0.727SS**  trans-85.4140.2169.1-168.3173.5173.400110.8K411 L415K411-E413 PolarHBondContact O-N 3.14Å; E413-L415 HydrophobicContact CG-CD1 4.27Å
414K59.8Low57.8Low181 Ų181131.4 Ų131.479%0.78773%0.728SS**  trans-118.489.4-167.8-162.1-171.3-173.8-164.10110.7E416K414-E416 PolarHBondContact O-N 3.03Å
415L65.8Low57.4Low114 Ų114131.7 Ų131.760%0.59772%0.716SS**  trans-74.9120.1177.4-79.380.4000111.3E413 F417E413-L415 HydrophobicContact CG-CD1 4.27Å; L415-F417 HydrophobicContact CB-CD2 4.33Å; L415-F417 HydrophobicContact CB-CE2 3.68Å; L415-F417 HydrophobicContact CB-CZ 4.07Å; L415-F417 HydrophobicContact CD2-CE1 4.43Å; L415-F417 HydrophobicContact CD2-CE2 4.05Å; L415-F417 HydrophobicContact CD2-CZ 3.6Å; L415-F417 HydrophobicContact CG-CZ 4.49Å
416E54.8Low57.1Low151 Ų151136.2 Ų136.271%0.70672%0.722SS**  trans-91.2124167-69-166.5167.300111K414K414-E416 PolarHBondContact O-N 3.03Å
417F51.7Low57.1Low164 Ų164139 Ų13972%0.71972%0.722SS**  trans-107.397.7176.4-69.8-78.6000111.5L415 V419L415-F417 HydrophobicContact CB-CD2 4.33Å; L415-F417 HydrophobicContact CB-CE2 3.68Å; L415-F417 HydrophobicContact CB-CZ 4.07Å; L415-F417 HydrophobicContact CD2-CE1 4.43Å; L415-F417 HydrophobicContact CD2-CE2 4.05Å; L415-F417 HydrophobicContact CD2-CZ 3.6Å; L415-F417 HydrophobicContact CG-CZ 4.49Å; F417-V419 HydrophobicContact CB-CG2 4.41Å; F417-V419 PolarHBondContact O-N 3.08Å; F417-V419 VanDerWaalsContact O-N 3.14Å
418K60.7Low56.8Low196 Ų196138.7 Ų138.785%0.85272%0.721SS**  trans-78.789.2169.6-74.2175.91801680110.3
419V52.2Low56.4Low120 Ų120144 Ų14473%0.72775%0.746SS**  trans-112.5113175.5-178.80000110F417 S421F417-V419 HydrophobicContact CB-CG2 4.41Å; F417-V419 PolarHBondContact O-N 3.08Å; F417-V419 VanDerWaalsContact O-N 3.14Å; V419-S421 PolarHBondContact O-N 3.29Å
420Q57.6Low56Low188 Ų188141.5 Ų141.588%0.87976%0.756SS**  trans-75.9110172.4-72.8-178.1-2400110.1K422Q420-K422 PolarHBondContact O-N 3.15Å
421S49.5Very low55.4Low99 Ų99143.2 Ų143.269%0.69276%0.761SS**  trans-74.1107175.454.40000111.1V419 V423V419-S421 PolarHBondContact O-N 3.29Å; S421-V423 PolarHBondContact O-N 3.2Å
422K59.4Low55.7Low213 Ų213141.4 Ų141.493%0.92676%0.763SS**  trans-73.576.1167.1-71-178.8177.8177.50110.6Q420Q420-K422 PolarHBondContact O-N 3.15Å
423V51.3Low55.2Low128 Ų128140.7 Ų140.778%0.77676%0.76SS**PPolyproline II helixtrans-101.5130.4162.4179.70000106.9S421S421-V423 PolarHBondContact O-N 3.2Å
424G47.6Very low54.4Low68 Ų68136 Ų13670%0.70176%0.759SS**PPolyproline II helixtrans-63.5145.6-176.600000112L426G424-L426 PolarHBondContact O-N 2.98Å
425S47.1Very low53.6Low89 Ų89131 Ų13162%0.62276%0.758SS**PPolyproline II helixtrans-60118.7177.7-156.40000110.6D427S425-D427 WeakPolarHBondContact CB-OD2 3.37Å; S425-D427 PolarHBondContact OG-N 3.17Å; S425-D427 PolarHBondContact OG-OD1 3.08Å; S425-D427 PolarHBondContact OG-OD2 3.03Å
426L53.9Low52.4Low168 Ų168128.6 Ų128.688%0.8876%0.761SS**  trans-101.497138.5-75.6-179.2000106G424G424-L426 PolarHBondContact O-N 2.98Å
427D59.3Low52.2Low120 Ų120130.3 Ų130.364%0.64277%0.769SS**  trans-52.7154.1162.6-61.7-94.2000109.7S425S425-D427 WeakPolarHBondContact CB-OD2 3.37Å; S425-D427 PolarHBondContact OG-N 3.17Å; S425-D427 PolarHBondContact OG-OD1 3.08Å; S425-D427 PolarHBondContact OG-OD2 3.03Å
428N56Low51.9Low150 Ų150134.1 Ų134.180%0.80278%0.779SS**  trans77.681-169.3-42.9-75.2000115.2
429I52.6Low51.2Low159 Ų159133.4 Ų133.482%0.81578%0.776SS**  -156.2104.9118.4-90.1142.4000107.3H431I429-H431 VanDerWaalsContact C-N 3.33Å; I429-H431 HydrophobicContact CG2-CB 4.17Å; I429-H431 PolarHBondContact O-N 2.99Å; I429-H431 VanDerWaalsContact O-N 3.09Å
430G52.5Low50.8Low80 Ų80138.8 Ų138.883%0.82578%0.783SS**  trans-82.570.1177.700000112.1V432G430-V432 PolarHBondContact O-N 2.9Å
431H50.9Low49.7Very low155 Ų155137.9 Ų137.972%0.71878%0.779SS**  trans-77.891.4179.3-163.6-29.4000111.6I429 P433I429-H431 VanDerWaalsContact C-N 3.33Å; I429-H431 HydrophobicContact CG2-CB 4.17Å; I429-H431 PolarHBondContact O-N 2.99Å; I429-H431 VanDerWaalsContact O-N 3.09Å; H431-P433 WeakPolarHBondContact O-CD 3.16Å
432V59.5Low49Very low121 Ų121143.1 Ų143.173%0.73379%0.789SS**  trans-64.1127.1164.4-179.10000108.7G430 G434G430-V432 PolarHBondContact O-N 2.9Å; V432-G434 PolarHBondContact O-N 3Å
433P50.6Low47.8Very low116 Ų116136.2 Ų136.275%0.75378%0.779SS**  trans-71.999.7176.5-18.733000110.6H431 G435H431-P433 WeakPolarHBondContact O-CD 3.16Å; P433-G435 PolarHBondContact O-N 2.98Å
434G49.7Very low46.9Very low76 Ų76138.6 Ų138.678%0.78478%0.779SS**  trans-70.565.5-179.800000114V432 G436V432-G434 PolarHBondContact O-N 3Å; G434-G436 PolarHBondContact O-N 3.21Å
435G42.4Very low46.2Very low75 Ų75141.4 Ų141.477%0.77378%0.777SS**  trans-69.672175.400000112.3P433 Q437P433-G435 PolarHBondContact O-N 2.98Å; G435-Q437 PolarHBondContact O-N 3.25Å
436G41.4Very low45.5Very low64 Ų64141.5 Ų141.566%0.6678%0.784SS**  trans-61.4124.3-17300000113.4G434 R438G434-G436 PolarHBondContact O-N 3.21Å; G436-R438 PolarHBondContact O-N 3.08Å
437Q49.5Very low44.3Very low187 Ų187142.9 Ų142.987%0.87479%0.786SS**  trans-63.4126.7168.4-63.6-169.418.100109.7G435G435-Q437 PolarHBondContact O-N 3.25Å
438R45.5Very low43Very low244 Ų244140.4 Ų140.492%0.92179%0.788SS**  trans-122.875.3165.5-71-170.2177.5175.50.8110G436 R440G436-R438 PolarHBondContact O-N 3.08Å; R438-R440 PolarHBondContact O-N 3.25Å
439K45.9Very low41.8Very low182 Ų182138.3 Ų138.379%0.79179%0.785SS**  trans-58.6130.8161.8-161-176.1-176.9-165.70107.3
440R43.9Very low40.9Very low232 Ų232137 Ų13788%0.87579%0.785SS**  trans-90.1115.2-172.8-170.9-164-54.2103-1.7109.7R438R438-R440 PolarHBondContact O-N 3.25Å
441E34.7Very low40Very low169 Ų169137.5 Ų137.579%0.7978%0.776SS**  trans-120.6157.3177.8-156.8100.1-120.600110.3
442K36.2Very low39.1Very low209 Ų209137.4 Ų137.491%0.90978%0.78SS**  trans-97.3149.5173-67.6177.2175.91790109.8
443G33.1Very low37.8Very low69 Ų69136 Ų13671%0.71178%0.776SS**  trans141.3111.2147.900000116.7
444K32.9Very low37Very low178 Ų178138.3 Ų138.377%0.77478%0.779SS**  48.2119.9120.4-80.2-176.5144.2-78.50121.1
445D32.1Very low36.1Very low126 Ų126140.3 Ų140.367%0.67478%0.78SS**  78143.3126.9-47.3-16000121.2
446A31.9Very low35.9Very low91 Ų91144 Ų14475%0.75278%0.781SS**  trans74118.7159.700000121.7
447E29.5Very low36.1Very low197 Ų197146.9 Ų146.992%0.92179%0.788SS**  29.6155.3126.4-55.9-172.3128.900123.9
448G31.4Very low35.6Very low68 Ų68143.1 Ų143.170%0.70178%0.783SS**  trans98.8122.6167.600000113.6
449S31.6Very low35.7Very low106 Ų106137.1 Ų137.174%0.74178%0.775SS**  cis99.4107.625.381.50000115.4
450V33Very low35.1Very low132 Ų132135 Ų13580%0.878%0.777SS**  trans67.9134148-55.30000123
451S34.5Very low34.5Very low91 Ų91130.2 Ų130.264%0.63677%0.774SS**  trans68.6136.8134.659.10000123.9
452D31.8Very low34.5Very low152 Ų152128.3 Ų128.381%0.81377%0.773SS**  trans70155.1143.7-61.9-18.5000121.8
453S31.2Very low35.7Very low91 Ų91123.6 Ų123.664%0.63676%0.764SS**  cis-163.8165.8-34.169.60000112.2
454M34.5Very low36.5Very low165 Ų165125.6 Ų125.681%0.81377%0.765SS**  trans67.4146.6150.4-70-58.5104.800124.4
455S30.5Very low36.5Very low118 Ų118125.5 Ų125.583%0.82577%0.767SS**  trans98.9135.614778.50000121.1
456I39Very low36.6Very low152 Ų152124.5 Ų124.578%0.77977%0.77SS**  trans-142.8147168.7-29.1175.5000105.4
457P45.2Very low37.9Very low126 Ų126125.4 Ų125.482%0.81877%0.768SS**  -149.3167.8103.136.4-18.9000115.5
458S38.8Very low38.1Very low108 Ų108125.2 Ų125.276%0.75577%0.767SS**  trans-110.4157.5173.6-48.20000111.8
459P48.1Very low38.3Very low117 Ų117127.5 Ų127.576%0.7677%0.768SS**  -148.9136123.134.7-16.5000115.3
460V32Very low38.8Very low139 Ų139128.8 Ų128.884%0.84277%0.771SS**  88150.689.21760000115.9
461V32.3Very low39.9Very low131 Ų131127.9 Ų127.979%0.79477%0.768SS**  trans124.9142.2159.9179.50000115.5
462T35.3Very low39.9Very low128 Ų128129.3 Ų129.379%0.78578%0.778SS**  trans-140.1-167.9-174.3-260000111.7
463P60.9Low40.2Very low111 Ų111126.6 Ų126.672%0.72178%0.776SS**  -99.1-177.5-123.645.5-31.2000116.2
464P49.3Very low40.9Very low111 Ų111127.5 Ų127.572%0.72178%0.78SS**  -148-158.39543.7-25.3000112.2
465Q33.1Very low40.9Very low175 Ų175125 Ų12582%0.81878%0.775SS**  cis-160.1177.7-2.9-145.7160.5-31.700111.9
466S34.5Very low41.3Very low105 Ų105125.4 Ų125.473%0.73477%0.772SS**  trans-147.7-176.1171.4-34.50000110
467P60.3Low41.5Very low111 Ų111124.2 Ų124.272%0.72177%0.774SS**  cis-136-170.8-15.743.4-26.8000114.1
468Q32.8Very low41.1Very low193 Ų193125.3 Ų125.390%0.90277%0.772SS**  trans-165172.5146.4-118.817578.500114.6
469T35Very low40.9Very low116 Ų116127.2 Ų127.271%0.71277%0.772SS**  trans-153.5172.9-157.1-38.40000113.8
470V41.8Very low40.3Very low132 Ų132126.8 Ų126.880%0.877%0.768SS**  trans87.9160.6161.4-48.20000119.4
471P57.7Low40.5Very low113 Ų113127.4 Ų127.473%0.73477%0.766SS**  -140.9177.5-63.942.3-26.3000115.2
472S33.5Very low41.3Very low121 Ų121126.6 Ų126.685%0.84676%0.764SS**  trans145.7164.4139.6-65.30000115.7
473A37.5Very low41.3Very low95 Ų95128 Ų12879%0.78577%0.765SS**  trans-153-175.4177.100000108.8
474P47.6Very low40.5Very low110 Ų110130.7 Ų130.771%0.71477%0.772SS**  cis-142.4-173.1-0.245.6-26.7000116.8
475T34.8Very low40.4Very low114 Ų114133.5 Ų133.570%0.69977%0.773SS**  trans72.9100.2146-48.70000123.5
476T38.2Very low40.9Very low125 Ų125132.2 Ų132.277%0.76777%0.77SS**  trans64.7152.7148690000120.6
477P43.5Very low41.4Very low127 Ų127135.5 Ų135.583%0.82577%0.774SS**  -136.6-170.487.240.6-27.7000115.1
478I36.3Very low41Very low150 Ų150137.7 Ų137.777%0.76978%0.78SS**  trans-111167.5-173.9-81.6172.6000111.3
479L33.9Very low41.7Very low147 Ų147133.9 Ų133.977%0.7778%0.775SS**  trans-6.8151.4164.4-85.161000118.4
480T37.3Very low42Very low109 Ų109141 Ų14167%0.66980%0.799SS**  cis-171.5158.935.5-15.80000111.1
481N35.6Very low42Very low151 Ų151141.5 Ų141.581%0.80780%0.799SS**  156.2140.8124.3-89.7-20.2000114.9
482P49.3Very low41.2Very low114 Ų114142.9 Ų142.974%0.7480%0.803SS**  trans-122.7113.3146.634.1-21.1000112.5
483L35.5Very low41.6Very low157 Ų157144.2 Ų144.282%0.82280%0.8SS**  trans28.1103.6143.9-164.775.9000119.2
484I43.9Very low41.9Very low168 Ų168147.1 Ų147.186%0.86280%0.801SS**  trans-127.1140.1153.2-65.2-178.4000108.2
485K46.1Very low41.5Very low170 Ų170149.4 Ų149.474%0.73981%0.806SS**  trans-100.7157.9172.2-54.5176.4-179.4-178.60109.3
486I43.1Very low41.9Very low148 Ų148151.7 Ų151.776%0.75981%0.814SS**  174.4126.3125.2-92.1157.5000111.3
487E45.9Very low42.2Very low174 Ų174153.6 Ų153.681%0.81382%0.817SS**  trans46.9140145.3-59.7166.9168.600123.5
488D52.3Low42.1Very low158 Ų158155.7 Ų155.785%0.84582%0.816SS**  trans-79.2146.4168.2-45.5-95.2000112.3
489S46.2Very low42.6Very low113 Ų113156.2 Ų156.279%0.7982%0.82SS**  trans-166.9124.3143.8-84.40000112.3
490H42.2Very low43.4Very low265 Ų265157 Ų157100%1.22783%0.825SS**  trans30.70151.6-68-66.3000120.5

Retrieved 490 of 490 residues in 200.8 ms (Link to these results)