A0A061INX6_CRIGR Loading...

Corneodesmosin

Important for the epidermal barrier integrity.

AlphaFold DB , UniProt , Accession A0A061INX6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cdsn, Length 536 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M52.4Low48.8Very low242 Ų242157 Ų157100%1.19289%0.894SS**  0113.70-66.5152.9100.700107.4
2N42.7Very low49.4Very low177 Ų177156.4 Ų156.495%0.94790%0.896SS**  trans-150.3139.3163.3-118.9-8.2000108.7
3S45.5Very low49.5Very low120 Ų120149.5 Ų149.584%0.83988%0.88SS**  trans-95.2152.6-155-161.80000114.1
4S45.3Very low49.9Very low114 Ų114144.4 Ų144.480%0.79787%0.874SS**  trans-65.1144.3-175.7-48.40000113.9
5R51.2Low50.2Low251 Ų251146.7 Ų146.795%0.94787%0.871SS**  trans-151.199.6151.1-136.8174.6-171.2178.52.4111.6
6A51.3Low50.3Low98 Ų98141.5 Ų141.581%0.8186%0.858SS**  trans-104127.7168.800000109.1
7P52.4Low50.5Low127 Ų127142.5 Ų142.583%0.82586%0.856SS**  trans-94127.6178.933.1-30.6000113.3
8G50.8Low50.7Low78 Ų78142.3 Ų142.380%0.80485%0.847SS**  trans6992.2137.700000119.5G10G8-G10 PolarHBondContact O-N 3.47Å
9M40.1Very low50.8Low196 Ų196139.1 Ų139.197%0.96684%0.837SS**  trans-71.2110.1156.4-73160.661.500110.4
10G49.3Very low50.8Low75 Ų75139 Ų13977%0.77383%0.831SS**  trans-81.7115172.400000112.3G8G8-G10 PolarHBondContact O-N 3.47Å
11R55.3Low50.9Low249 Ų249137.9 Ų137.994%0.9482%0.82SS**  trans-83.8115.6165.8-82.7-173.9174.7-170.8-0.1110.4
12V56.2Low51.1Low150 Ų150132.3 Ų132.391%0.90979%0.793SS**  trans-148.4136.4156.5-93.60000105.9
13G51Low51.4Low67 Ų67127.6 Ų127.669%0.69178%0.779SS**  cis15059.213.600000107.7H15G13-H15 PolarHBondContact O-N 3.48Å
14G55.3Low51.8Low77 Ų77127.2 Ų127.279%0.79477%0.771SS**  trans-76.683-163.900000114.5
15H53.8Low52.3Low179 Ų179128.5 Ų128.583%0.82977%0.768SS**  trans-132.318.6171.8-74.7-72.5000114.1G13G13-H15 PolarHBondContact O-N 3.48Å
16G52.6Low52.7Low64 Ų64123.3 Ų123.366%0.6676%0.758SS**SBendtrans-86.9-8-171.100000118.1
17L53.8Low52.5Low159 Ų159126.6 Ų126.683%0.83276%0.761SS**SBendtrans-115.8-4.4-167.7-74.3171.9000116.3
18M53.6Low52.3Low139 Ų139126.7 Ų126.769%0.68576%0.762SS**SBendtrans-95.2-25.8179.4-117.9-79.116900113.4
19A52.5Low52Low80 Ų80126.3 Ų126.366%0.66176%0.757SS**G310 helixtrans-74.8-28.7-176.800000114.2L21A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 2.97Å
20L51.8Low52.2Low137 Ų137123.8 Ų123.872%0.71775%0.754SS**G310 helixtrans-78.3-15.9-176.8-113.1158000113.8
21L52.9Low51.9Low116 Ų116129 Ų12961%0.60776%0.763SS**G310 helixtrans-88.5-15.8179.7-104.1160.7000114A19A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 2.97Å
22M55.1Low51.2Low126 Ų126121.9 Ų121.962%0.62176%0.757SS**SBendtrans-98.8-9178.9-64.1-61.5175.300113.6
23A50.2Low50.4Low78 Ų78123.8 Ų123.865%0.64575%0.753SS**SBendtrans-88.9-8.7-178.700000114.5
24T53.3Low49.8Very low112 Ų112126.3 Ų126.369%0.68776%0.76SS**SBendtrans-106.52-174.752.30000114.5
25L55Low49.3Very low140 Ų140129.3 Ų129.373%0.73376%0.757SS**SBendtrans-107.95.7-174.5-89160.9000115
26I60.3Low48.7Very low142 Ų142123.7 Ų123.773%0.72875%0.747SS**  trans-129.269.3-178.4-47.6175000111
27L46.5Very low48.2Very low167 Ų167127 Ų12787%0.87476%0.755SS**  trans-149.5109.9156.9-96.4121.7000110.2
28P48Very low47.7Very low130 Ų130127 Ų12784%0.84476%0.755SS**  trans-82.6120.2176.131.5-31.5000111.8
29G46.2Very low47.3Very low69 Ų69125.6 Ų125.671%0.71176%0.759SS**  trans50.4108.1148.600000121.1
30T43.9Very low47Very low144 Ų144126.9 Ų126.988%0.88375%0.754SS**  -149.897125.641.80000110.8A32T30-A32 PolarHBondContact O-N 3.3Å
31L42.9Very low46.8Very low184 Ų184125.2 Ų125.296%0.96375%0.752SS**  trans-90.495.4168.4-77.3169.1000109.8
32A40.2Very low46.8Very low100 Ų100123.3 Ų123.383%0.82675%0.747SS**  trans-105.299.4167.300000109.5T30 S34T30-A32 PolarHBondContact O-N 3.3Å; A32-S34 PolarHBondContact O-N 2.97Å
33K40.5Very low46.6Very low189 Ų189125.8 Ų125.882%0.82275%0.754SS**  trans-79.3106.5-176-175.6166.7179.9165.60110.1I35K33-I35 HydrophobicContact CG-CG1 4.35Å; K33-I35 PolarHBondContact O-N 3.3Å
34S37.6Very low46.5Very low120 Ų120126.5 Ų126.584%0.83975%0.747SS**  trans-62.3100.5167.4178.70000109.5A32 G36A32-S34 PolarHBondContact O-N 2.97Å; S34-G36 PolarHBondContact O-N 3.36Å
35I44.1Very low46.4Very low140 Ų140127.4 Ų127.472%0.71876%0.755SS**  trans-83.4101.9169.7-62.9173.3000106.2K33 T37K33-I35 HydrophobicContact CG-CG1 4.35Å; K33-I35 PolarHBondContact O-N 3.3Å; I35-T37 PolarHBondContact O-N 3.38Å
36G41.9Very low46.3Very low61 Ų61126.1 Ų126.163%0.62975%0.753SS**  trans-56.8130.6162.800000108.8S34 L38S34-G36 PolarHBondContact O-N 3.36Å; G36-L38 PolarHBondContact O-N 3.02Å
37T43Very low45.6Very low135 Ų135128.9 Ų128.983%0.82876%0.755SS**  trans-58111.9-179.847.40000109.7I35 S39I35-T37 PolarHBondContact O-N 3.38Å; T37-S39 PolarHBondContact O-N 3.11Å; T37-S39 VanDerWaalsContact O-N 3.11Å
38L42.5Very low45.7Very low159 Ų159129 Ų12983%0.83275%0.754SS**  trans-56.5113.9176.8-174.677.9000109.1G36 D40G36-L38 PolarHBondContact O-N 3.02Å; L38-D40 PolarHBondContact O-N 3.23Å
39S44.6Very low45.6Very low109 Ų109127.6 Ų127.676%0.76274%0.744SS**  trans-58.5124.8171.7-60.90000109.4T37 P41T37-S39 PolarHBondContact O-N 3.11Å; T37-S39 VanDerWaalsContact O-N 3.11Å; S39-P41 WeakPolarHBondContact O-CD 3.43Å; S39-P41 VanDerWaalsContact O-N 3.17Å
40D47.4Very low45.4Very low107 Ų107128 Ų12857%0.57274%0.736SS**  trans-55.9114-178-171.7-10000110.8L38 C42 K43L38-D40 PolarHBondContact O-N 3.23Å; D40-C42 PolarHBondContact O-N 3.44Å; D40-C42 VanDerWaalsContact O-N 3.09Å; D40-C42 PolarHBondContact OD1-N 3.25Å; D40-K43 PolarHBondContact O-N 3.47Å
41P47.5Very low45.5Very low102 Ų102129.1 Ų129.166%0.66274%0.735SS**THydrogen-bonded Turntrans-69.4-9.2-169.727.6-35.3000113.8S39 K43S39-P41 WeakPolarHBondContact O-CD 3.43Å; S39-P41 VanDerWaalsContact O-N 3.17Å; P41-K43 VanDerWaalsContact C-N 3.31Å; P41-K43 PolarHBondContact O-N 3.31Å
42C52Low45.7Very low75 Ų75127.6 Ų127.651%0.50773%0.728SS.*THydrogen-bonded Turntrans-87.813.4177.8-49.20000113.5D40 C55D40-C42 PolarHBondContact O-N 3.44Å; D40-C42 VanDerWaalsContact O-N 3.09Å; D40-C42 PolarHBondContact OD1-N 3.25Å; C42-C55 HydrophobicContact CB-CB 3.99Å; C42-C55 WeakPolarHBondContact CB-SG 3.46Å; C42-C55 WeakPolarHBondContact SG-CB 3.16Å; C42-C55 CovalentContact SG-SG 2.05Å; C42-C55 PolarHBondContact SG-SG 2.66Å
43K51.1Low46.1Very low178 Ų178125.8 Ų125.877%0.77471%0.705SS**  trans-120.418.2-172-146173.7-175.9177.50116.4D40 P41D40-K43 PolarHBondContact O-N 3.47Å; P41-K43 VanDerWaalsContact C-N 3.31Å; P41-K43 PolarHBondContact O-N 3.31Å
44D47.3Very low46.5Very low93 Ų93122.1 Ų122.150%0.49770%0.7SS.*  trans-96116.7172.5-170.8-29.2000110.6T46D44-T46 PolarHBondContact O-N 3.47Å; D44-T46 VanDerWaalsContact O-N 3.15Å; D44-T46 WeakPolarHBondContact OD1-CB 3.11Å; D44-T46 PolarHBondContact OD1-N 3.09Å; D44-T46 PolarHBondContact OD1-OG1 3.32Å
45P51.2Low47.2Very low131 Ų131119.6 Ų119.685%0.85168%0.682SS**THydrogen-bonded Turntrans-74.63.8-176.932.1-36.3000114.4
46T53.1Low47.4Very low113 Ų113119 Ų11969%0.69368%0.679SS**THydrogen-bonded Turntrans-105.5-2.8-174.866.60000115.4D44D44-T46 PolarHBondContact O-N 3.47Å; D44-T46 VanDerWaalsContact O-N 3.15Å; D44-T46 WeakPolarHBondContact OD1-CB 3.11Å; D44-T46 PolarHBondContact OD1-N 3.09Å; D44-T46 PolarHBondContact OD1-OG1 3.32Å
47R45.9Very low47.9Very low200 Ų200123.5 Ų123.576%0.75569%0.687SS**PPolyproline II helixtrans-85.2121.5175.5-101.4-176.6-167.4-94-3.7112.6T49R47-T49 PolarHBondContact O-N 3.37Å
48I50Low47.5Very low169 Ų169120.6 Ų120.687%0.86769%0.685SS**PPolyproline II helixtrans-73.3117.1167.5-57.6169.9000108.1
49T44.3Very low47.3Very low102 Ų102123.1 Ų123.163%0.62669%0.689SS**PPolyproline II helixtrans-65.1130.6-173.1-250000112.4R47R47-T49 PolarHBondContact O-N 3.37Å
50S41.9Very low47Very low78 Ų78124.9 Ų124.955%0.54570%0.695SS.*PPolyproline II helixtrans-94.5151168.7-173.50000110N52 D53S50-N52 PolarHBondContact O-N 3.29Å; S50-D53 PolarHBondContact N-OD2 2.05Å; S50-D53 VanDerWaalsContact N-OD2 3.14Å; S50-D53 PolarHBondContact O-N 3.37Å
51L45.6Very low46.4Very low166 Ų166123.4 Ų123.487%0.86971%0.705SS**THydrogen-bonded Turntrans-69.110.7-174.6-15280.7000114.6
52N47.8Very low45.9Very low153 Ų153124.6 Ų124.682%0.81872%0.716SS**THydrogen-bonded Turntrans-138.333.1179-73.9-76.4000112.3S50S50-N52 PolarHBondContact O-N 3.29Å
53D48.4Very low44.7Very low62 Ų62126.6 Ų126.633%0.33273%0.731SS.*  trans-82131172.2-87.7-55.2000112.1S50 C55 L56S50-D53 PolarHBondContact N-OD2 2.05Å; S50-D53 VanDerWaalsContact N-OD2 3.14Å; S50-D53 PolarHBondContact O-N 3.37Å; D53-C55 PolarHBondContact O-N 3.15Å; D53-L56 PolarHBondContact O-N 2.95Å
54P49.3Very low43.9Very low112 Ų112123.8 Ų123.873%0.72773%0.734SS**G310 helixtrans-71.4-8.6-175.428.2-35000114.7L56P54-L56 PolarHBondContact O-N 3.03Å
55C51.7Low43.3Very low67 Ų67127.6 Ų127.645%0.45375%0.752SS.*G310 helixtrans-67.3-6173.8-66.50000113.8C42 D53C42-C55 HydrophobicContact CB-CB 3.99Å; C42-C55 WeakPolarHBondContact CB-SG 3.46Å; C42-C55 WeakPolarHBondContact SG-CB 3.16Å; C42-C55 CovalentContact SG-SG 2.05Å; C42-C55 PolarHBondContact SG-SG 2.66Å; D53-C55 PolarHBondContact O-N 3.15Å
56L49.4Very low42.4Very low126 Ų126126.4 Ų126.466%0.6675%0.747SS**G310 helixtrans-98.9-4.3-175.8-67.2178.8000115.3D53 P54D53-L56 PolarHBondContact O-N 2.95Å; P54-L56 PolarHBondContact O-N 3.03Å
57I51.2Low41.4Very low156 Ų156126 Ų12680%0.875%0.749SS**SBendtrans-97.6115.4168.8-87.963.9000108.9
58G35.7Very low40.8Very low75 Ų75125.2 Ų125.277%0.77375%0.753SS**  trans117.885.9160.400000116.7
59K37.8Very low39.9Very low212 Ų212121.2 Ų121.292%0.92275%0.754SS**  trans-146.665149.2-154.8163.1-170.7166.70113.2
60T37.9Very low39.2Very low145 Ų145120.2 Ų120.289%0.8976%0.764SS**SBendtrans-112.4132.5158.1-46.40000107.1
61G34.8Very low38.7Very low76 Ų76122.1 Ų122.178%0.78478%0.777SS**  trans-64.5144.6-161.600000115.1
62S36.6Very low38Very low128 Ų128119.4 Ų119.490%0.89577%0.772SS**  trans-69.6128.8173.6-42.30000111.4
63S27.9Very low37.3Very low117 Ų117116.7 Ų116.782%0.81877%0.765SS**  trans-119.8135.5149.956.40000108.7
64S34.9Very low36.6Very low119 Ų119118.7 Ų118.783%0.83278%0.784SS**  trans-78.7128.6-166-460000112.3
65I34.1Very low35.9Very low172 Ų172122.7 Ų122.788%0.88279%0.793SS**  trans-142138.1143.150.1165.2000111.1
66S32.4Very low34.8Very low107 Ų107123.1 Ų123.175%0.74881%0.809SS**  trans-79.6146.7171.747.80000112
67S31.6Very low33.9Very low105 Ų105120.6 Ų120.673%0.73481%0.813SS**  -177.8131.8126.6-82.70000113.8
68H32.6Very low33.1Very low182 Ų182118.6 Ų118.684%0.84381%0.813SS**  trans22.7131.1144.8-57.4-75000121.3
69G31.7Very low33.1Very low86 Ų86120.7 Ų120.789%0.88782%0.816SS**  trans-79.8169.8171.100000114.3
70G29Very low32.8Very low81 Ų81120.8 Ų120.884%0.83582%0.816SS**  trans-159.7127.1173.300000109.6
71S32.3Very low32.6Very low118 Ų118118.4 Ų118.483%0.82581%0.805SS**  trans-86.6169.4178.1-60.60000111.3
72S31.8Very low32.6Very low109 Ų109122.5 Ų122.576%0.76281%0.808SS**  trans102.5124.5147.974.10000121
73S31.4Very low32.4Very low96 Ų96123 Ų12367%0.67180%0.799SS**  trans65.8104.8130.762.30000122.7
74S35.3Very low32.6Very low103 Ų103127.1 Ų127.172%0.7280%0.803SS**  56.2152.3116.470.50000123.3
75Q33.4Very low32.7Very low197 Ų197131 Ų13192%0.92181%0.805SS**  trans79.1146.3177.6-51.9-179.67.500114.1
76G28.2Very low33.2Very low76 Ų76128.8 Ų128.878%0.78480%0.802SS**  cis157.2126.8-5.300000111.9
77G30.4Very low33.1Very low73 Ų73127.5 Ų127.575%0.75381%0.805SS**  trans70165.9178.800000115.1
78S34.5Very low33.3Very low114 Ų114129.8 Ų129.880%0.79782%0.815SS**  cis177128.3-17.7-99.80000105.6
79S36.6Very low33.3Very low118 Ų118124.8 Ų124.883%0.82581%0.812SS**  trans39.6118.8152.4-54.20000120.9
80K31.4Very low33.4Very low215 Ų215126.3 Ų126.394%0.93581%0.81SS**  trans-149.6125.8136.4-114.1161.6-169.11750112.2
81S33.6Very low33.7Very low95 Ų95127.9 Ų127.966%0.66481%0.808SS**  trans-108.3134.7177175.40000109.4
82L35.8Very low33.9Very low161 Ų161131.2 Ų131.284%0.84381%0.81SS**  trans-146.295165.7-65.5174.4000104.9
83I32.7Very low33.9Very low138 Ų138132.4 Ų132.471%0.70881%0.807SS**  48.592.375.9-52.4-179.7000112
84F31.9Very low33.8Very low204 Ų204132.7 Ų132.790%0.89581%0.809SS**  trans-145.9128.3148.9-97.8-77.8000110.4
85K36Very low33.7Very low200 Ų200137.5 Ų137.587%0.8781%0.813SS**  trans-165159.5172-98.7-170.4176.7-177.80106.4
86P44Very low33.5Very low127 Ų127133.9 Ų133.983%0.82581%0.809SS**  cis-123.9174.8-33.837.9-23.6000111.2
87G30.5Very low33.9Very low79 Ų79136 Ų13681%0.81481%0.812SS**  trans-151.6119.7172.300000111.8
88T37.3Very low33.8Very low154 Ų154136.2 Ų136.295%0.94581%0.814SS**  trans-88.7128.918044.20000111.5
89G31Very low33.7Very low76 Ų76136.5 Ų136.578%0.78482%0.816SS**  trans-169.8121.417200000111.6
90S34.1Very low33.3Very low119 Ų119134 Ų13483%0.83281%0.809SS**  trans-80136.7-178-50.60000111.7
91S36.2Very low33.1Very low114 Ų114128.8 Ų128.880%0.79780%0.799SS**  162.1147.5125.4-73.40000114
92Q35.5Very low32.9Very low187 Ų187133.9 Ų133.987%0.87481%0.81SS**  trans-31.5130.7174.8-56.7172.51.400117.3
93I32.1Very low32.5Very low135 Ų135135.1 Ų135.169%0.69281%0.811SS**  trans-135.9122.6146.9-60-177000108.8Y95I93-Y95 HydrophobicContact CG2-CD2 4.23Å; I93-Y95 HydrophobicContact CG2-CE2 3.64Å
94S29.7Very low32.4Very low102 Ų102134.5 Ų134.571%0.71382%0.819SS**  trans-83.6137.9175.6-54.10000111
95Y33.2Very low32.2Very low204 Ų204128 Ų12880%0.881%0.81SS**  trans-122.8101.3164.3-75.5-75.8000110.6I93I93-Y95 HydrophobicContact CG2-CD2 4.23Å; I93-Y95 HydrophobicContact CG2-CE2 3.64Å
96S28.9Very low31.8Very low120 Ų120124.9 Ų124.984%0.83981%0.813SS**  trans-87.7111.1167.4-600000109
97S36.8Very low31.2Very low121 Ų121123.5 Ų123.585%0.84681%0.806SS**  trans-91.5111.1171.5-65.60000109.7
98G28Very low31Very low78 Ų78123.4 Ų123.480%0.80481%0.805SS**  trans-72.2151.5-175.400000114.4G100G98-G100 PolarHBondContact O-N 3.05Å
99S32.7Very low30.5Very low120 Ų120125 Ų12584%0.83980%0.8SS**  trans-73.3116.1173.950.90000112.1
100G26.9Very low30.3Very low65 Ų65131.1 Ų131.167%0.6781%0.808SS**  trans-101.8100.416900000111.6G98G98-G100 PolarHBondContact O-N 3.05Å
101S28.6Very low30.1Very low105 Ų105131 Ų13173%0.73481%0.807SS**  trans-86.8125.2174.5-60.30000110.8
102F27.9Very low29.6Very low202 Ų202129.2 Ų129.289%0.88681%0.807SS**  trans-120.1129.8167.6-73.1-73.5000111.1
103H27.9Very low29.2Very low187 Ų187126.4 Ų126.487%0.86681%0.808SS**  trans-88.2132.9177.9-83.934.2000111.4
104S32.1Very low29.1Very low125 Ų125125.5 Ų125.587%0.87481%0.814SS**  trans-159.3130.3152.550.60000106.4
105G26.6Very low29Very low68 Ų68124.4 Ų124.470%0.70182%0.818SS**  cis145.182.512.200000106.2S107G105-S107 PolarHBondContact O-N 3.47Å
106S28.6Very low28.8Very low135 Ų135120.4 Ų120.494%0.94482%0.82SS**  trans-68.7101.7-169.5-63.90000112.5
107S30.3Very low28.7Very low97 Ų97124.1 Ų124.168%0.67882%0.824SS**  trans-88.899.6160.7470000109.5G105G105-S107 PolarHBondContact O-N 3.47Å
108G27.3Very low28.3Very low77 Ų77124.3 Ų124.379%0.79483%0.826SS**  trans-72.6133.1174.800000111.5
109F26.5Very low28.2Very low188 Ų188123.9 Ų123.983%0.82582%0.821SS**  trans-105.2115.4165.8-73.5-78.6000109.5
110Q26Very low28.1Very low204 Ų204126.3 Ų126.395%0.95382%0.824SS**  trans-78.8130164.1-71.8174.4-61.600109.1
111S30.4Very low28.2Very low116 Ų116127.3 Ų127.381%0.81182%0.821SS**  trans-135.9129.5156.744.50000107.8
112G25.9Very low28.2Very low77 Ų77125.9 Ų125.979%0.79482%0.823SS**  trans-78.3152.8-152.800000116S114G112-S114 PolarHBondContact O-N 3.34Å
113S26.8Very low28.2Very low129 Ų129125.5 Ų125.590%0.90282%0.821SS**  trans-74.2106.8171-51.40000111.3G115S113-G115 PolarHBondContact O-N 3.16Å
114S29.8Very low28.2Very low116 Ų116125.7 Ų125.781%0.81182%0.823SS**  trans-80.5100157.229.30000109G112G112-S114 PolarHBondContact O-N 3.34Å
115G27.5Very low28.1Very low79 Ų79125.9 Ų125.981%0.81482%0.824SS**  trans-74.6126.8175.300000111.7S113S113-G115 PolarHBondContact O-N 3.16Å
116S28.7Very low28.2Very low119 Ų119126.2 Ų126.283%0.83283%0.827SS**  trans-110.8120.6169.6-64.60000109.3
117Q26.6Very low28.2Very low198 Ų198125.8 Ų125.893%0.92582%0.824SS**  trans-63.6140.6179.5-72.3173.8-58.300111.5G119Q117-G119 PolarHBondContact O-N 3.49Å
118S29.3Very low28.3Very low126 Ų126126.9 Ų126.988%0.88183%0.832SS**  trans-70.495.117151.40000111
119G26.5Very low28.3Very low68 Ų68126.6 Ų126.670%0.70183%0.829SS**  trans-78.3122.816500000110.6Q117 S121Q117-G119 PolarHBondContact O-N 3.49Å; G119-S121 PolarHBondContact O-N 3.18Å
120N30.7Very low28.5Very low171 Ų171123.6 Ų123.691%0.91483%0.831SS**  trans-82.7111.9178.5-170.339.8000110.3
121S28.7Very low28.5Very low86 Ų86123.2 Ų123.260%0.60183%0.829SS**  trans-133.3113169.753.70000110.5G119G119-S121 PolarHBondContact O-N 3.18Å
122G28.8Very low28.7Very low75 Ų75123.2 Ų123.277%0.77383%0.83SS**  trans-75.7140.117800000111.7
123F28.1Very low28.7Very low194 Ų194123.4 Ų123.485%0.85183%0.831SS**  trans-99.1106.6173.4-70.7-78.6000110.7
124Q27.4Very low28.8Very low192 Ų192125 Ų12590%0.89783%0.829SS**  trans-77.9135.1154.6-75.5-176-41.800108.9G126Q124-G126 PolarHBondContact O-N 3.43Å
125S30.7Very low28.8Very low129 Ų129123.9 Ų123.990%0.90282%0.822SS**  trans-72.996.4174.8-49.90000110.6
126G27.3Very low28.7Very low74 Ų74123.5 Ų123.576%0.76382%0.818SS**  trans-80.7126.617200000111.9Q124 S128Q124-G126 PolarHBondContact O-N 3.43Å; G126-S128 PolarHBondContact O-N 3.14Å
127S29.4Very low28.7Very low126 Ų126127.2 Ų127.288%0.88182%0.82SS**  trans-67.7118.2176.1-58.40000111.8G129S127-G129 PolarHBondContact O-N 3.18Å; S127-G129 VanDerWaalsContact O-N 3.16Å
128S31.1Very low28.7Very low121 Ų121127 Ų12785%0.84682%0.819SS**  trans-76.595.917054.10000110.8G126G126-S128 PolarHBondContact O-N 3.14Å
129G27.3Very low28.7Very low71 Ų71127.3 Ų127.373%0.73282%0.82SS**  trans-81.7123.8172.700000112.1S127 Q131S127-G129 PolarHBondContact O-N 3.18Å; S127-G129 VanDerWaalsContact O-N 3.16Å; G129-Q131 PolarHBondContact O-N 3.39Å
130S31.2Very low28.6Very low124 Ų124127.5 Ų127.587%0.86782%0.822SS**  trans-76.8105.5176.3-54.40000111.2S132S130-S132 PolarHBondContact O-N 3.44Å
131Q27.4Very low28.5Very low196 Ų196125.4 Ų125.492%0.91682%0.821SS**  trans-77.5107.6166.1-81.2-175.2-38.200110.3G129 G133G129-Q131 PolarHBondContact O-N 3.39Å; Q131-G133 PolarHBondContact O-N 3.35Å
132S34.3Very low28.5Very low117 Ų117126.8 Ų126.882%0.81883%0.831SS**  trans-78.8109.3161.950.30000109.3S130S130-S132 PolarHBondContact O-N 3.44Å
133G26.3Very low28.5Very low80 Ų80131 Ų13183%0.82584%0.836SS**  trans-66.6133.5-179.600000112.6Q131Q131-G133 PolarHBondContact O-N 3.35Å
134N27.1Very low28.6Very low162 Ų162127.4 Ų127.487%0.86684%0.835SS**  trans-91.8112.2177.6-158.333.3000109.6G136N134-G136 PolarHBondContact O-N 3.48Å
135S30.9Very low28.5Very low93 Ų93127.1 Ų127.165%0.6583%0.833SS**  trans-73.4107.6175.7530000110.2
136G25Very low28.4Very low71 Ų71127 Ų12773%0.73283%0.832SS**  trans-73.1128.5-179.700000113N134N134-G136 PolarHBondContact O-N 3.48Å
137F29Very low28.3Very low198 Ų198126.6 Ų126.687%0.86883%0.829SS**  trans-120123160-73.2-78.5000109
138Q27.1Very low28.2Very low194 Ų194127.1 Ų127.191%0.90783%0.832SS**  trans-89123.2169.7-77.5-175.6-50.700110.2
139S28.6Very low28.1Very low131 Ų131127 Ų12792%0.91683%0.831SS**  trans173.7134.1156.3-78.10000106.9
140G24.9Very low28Very low72 Ų72127.2 Ų127.274%0.74283%0.834SS**  cis-166.3163.8-7.200000108.2
141S29.1Very low27.9Very low128 Ų128127.2 Ų127.290%0.89583%0.834SS**  trans-67.7134.1-173.3-50.70000113.6
142S27.3Very low27.7Very low115 Ų115126.4 Ų126.480%0.80483%0.83SS**  trans-142.2100.9162.7-71.40000110.1
143N28.7Very low27.3Very low163 Ų163127.6 Ų127.687%0.87283%0.833SS**  trans-73.8128.6169-95.99000109.9
144S30Very low27.2Very low118 Ų118127.1 Ų127.183%0.82583%0.828SS**  trans-136.1102.4162.2-68.40000110
145Q26.6Very low27.2Very low186 Ų186125.5 Ų125.587%0.86983%0.829SS**  trans-79.2131.2165.4-68.3173.9-70.300109.9
146S27.3Very low27Very low126 Ų126126.8 Ų126.888%0.88184%0.838SS**  trans158.9141.9147.446.40000109
147G25.2Very low27.1Very low67 Ų67129 Ų12969%0.69184%0.843SS**  cis-172.2148.9-8.200000109.5S149G147-S149 PolarHBondContact O-N 3.06Å
148S27Very low27.1Very low136 Ų136125.7 Ų125.795%0.95184%0.844SS**  trans-72.3127.3177.1-56.20000111
149S29.3Very low27Very low118 Ų118125.8 Ų125.883%0.82584%0.844SS**  trans-134.396.5162.239.10000109.3G147G147-S149 PolarHBondContact O-N 3.06Å
150G25.6Very low27.1Very low76 Ų76125.6 Ų125.678%0.78484%0.843SS**  trans-82.9144.3164.900000110.2
151S28.9Very low27.1Very low125 Ų125125.8 Ų125.887%0.87485%0.845SS**  trans-138.6132.8165-74.30000109.4
152Q22.9Very low27Very low178 Ų178125.3 Ų125.383%0.83284%0.841SS**  trans-93.7175.3179.8-65.4-177.6-48.500112.2
153T25.6Very low27Very low143 Ų143125.5 Ų125.588%0.87784%0.843SS**  trans76.1138.9154.860.90000119.2
154G25Very low27Very low70 Ų70123.1 Ų123.172%0.72284%0.839SS**  trans167.430.6177.200000114.9S156G154-S156 PolarHBondContact O-N 3.48Å
155S26.6Very low27Very low128 Ų128123.4 Ų123.490%0.89584%0.841SS**  trans-78.4117.2174.7-60.80000110.4
156S28Very low27Very low120 Ų120125 Ų12584%0.83984%0.839SS**  trans-132.399.2175.4-61.40000110.7G154G154-S156 PolarHBondContact O-N 3.48Å
157S25.9Very low26.9Very low118 Ų118131.2 Ų131.283%0.82584%0.843SS**  trans-81.3135.1168.152.40000110.8
158S29.8Very low26.9Very low127 Ų127133.4 Ų133.489%0.88884%0.843SS**  trans-141.7121.2163.4-750000111
159Q24.6Very low26.9Very low196 Ų196131.4 Ų131.492%0.91683%0.829SS**  trans-92.9143.9171.8-66.2169.6-6600110.9
160S30.3Very low26.8Very low128 Ų128131.5 Ų131.590%0.89583%0.829SS**  trans-170.9146.5147.243.50000107.7
161G26.1Very low27Very low76 Ų76132.9 Ų132.978%0.78483%0.827SS**  cis162.5108.8-1.200000107.8
162S26.7Very low27.1Very low117 Ų117132 Ų13282%0.81882%0.821SS**  trans-76.6148.7-162-48.40000115.8
163S27.1Very low27.4Very low119 Ų119132.1 Ų132.183%0.83282%0.822SS**  trans-171.6101144.4-800000109.3
164S28.5Very low27.7Very low114 Ų114130.7 Ų130.780%0.79782%0.817SS**  65.8100.380.2-75.50000116.2
165S30.1Very low27.8Very low123 Ų123131.1 Ų131.186%0.8682%0.822SS**  trans-150.4135.3134.1390000109.7
166R26.1Very low28Very low219 Ų219130.6 Ų130.683%0.82682%0.818SS**  trans-114.8141.5-176.4-64.3173.1175.2169.2-3109.3
167W25.3Very low28.2Very low257 Ų257130.8 Ų130.897%0.97382%0.82SS**  trans-139.585.8153.6-74.499.3000111.6
168V25.4Very low28.4Very low113 Ų113128.5 Ų128.569%0.68582%0.815SS**  trans-23.7144.7132.2157.70000112.6
169S26.5Very low28.5Very low95 Ų95128.1 Ų128.166%0.66481%0.812SS**  cis-175.8172.8-1-104.20000113
170S27.9Very low28.9Very low119 Ų119123.1 Ų123.183%0.83280%0.799SS**  trans77.2141.8139.3-720000122.9
171S30.2Very low29.1Very low105 Ų105127.8 Ų127.873%0.73480%0.797SS**  trans-86.3168.3169.652.20000113.9
172S30.9Very low29.5Very low107 Ų107132.9 Ų132.975%0.74880%0.8SS**  trans97.4131.1147.9-53.90000120.5
173Q29.1Very low29.7Very low180 Ų180130.8 Ų130.884%0.84180%0.797SS**  trans73.6105.5147.4-79.1178.8-11.400122.1
174S31.3Very low30.5Very low113 Ų113131.8 Ų131.879%0.7980%0.801SS**  34.1122.6122.257.50000120.9
175G26.9Very low30.7Very low80 Ų80130.1 Ų130.183%0.82580%0.802SS**  trans-161.3135.1160.800000111.7
176S30.6Very low30.8Very low116 Ų116132.6 Ų132.681%0.81181%0.805SS**  trans-98.1178.1-171.3-540000114
177S32.9Very low31Very low125 Ų125126.1 Ų126.187%0.87481%0.807SS**  trans94.3136.3165.1-34.40000115.7
178G30.4Very low31.4Very low70 Ų70119.9 Ų119.972%0.72280%0.802SS**  cis137118.3-6.700000113.4
179S31.7Very low31.6Very low118 Ų118119.3 Ų119.383%0.82581%0.81SS**  trans161.5150.1164.7-88.70000110.8
180S32.8Very low31.8Very low92 Ų92123 Ų12364%0.64382%0.821SS**  cis-171.2153-8.1-102.10000110.8
181R34.5Very low33.1Very low225 Ų225122.4 Ų122.485%0.84981%0.814SS**  trans69.2153158.3-66.6172.2-169.5-169.60.5119.3
182E34.4Very low33.2Very low183 Ų183124 Ų12486%0.85582%0.82SS**  cis-173.5144.5-32.1-119.1174.3160.700107.7
183G31.4Very low33.5Very low73 Ų73126.1 Ų126.175%0.75382%0.823SS**  trans151.8142.6168.600000115.3
184P44.2Very low33.5Very low140 Ų140124.8 Ų124.891%0.90982%0.821SS**  trans-122.3164.4-149.138.5-23.3000116.9
185G32Very low33.4Very low79 Ų79125.7 Ų125.781%0.81482%0.818SS**  trans-167.7105174.500000115.3
186N32.7Very low33.6Very low175 Ų175127.4 Ų127.494%0.93682%0.817SS**  trans-42.3155.2-179.2-62.7-33.7000119.5
187G29.8Very low33.7Very low83 Ų83126 Ų12686%0.85681%0.807SS**  trans166.960.9158.800000118.4
188S34Very low33.7Very low126 Ų126130.5 Ų130.588%0.88181%0.805SS**  trans-105146.3174.4-51.60000112.6
189A29.2Very low33.7Very low102 Ų102134.5 Ų134.584%0.84380%0.804SS**  trans-171.6149.3143.700000113
190L30.3Very low33.6Very low171 Ų171134.5 Ų134.590%0.89580%0.8SS**  trans-107.9-133.3174.9-75.7153000110.5
191P56.8Low33.5Very low107 Ų107135.9 Ų135.970%0.69581%0.81SS**  -126-168.2-123.641.3-20.9000113.1
192T32.2Very low33.2Very low140 Ų140128 Ų12886%0.85980%0.798SS**  trans-175144.213022.90000113.4
193D35.5Very low32.9Very low150 Ų150123.9 Ų123.980%0.80279%0.789SS**  trans-80.3160.6159.9-53.6-91.8000111.3
194D30.3Very low32.9Very low152 Ų152128.2 Ų128.281%0.81379%0.788SS**  trans-157.4109.2142-122-35.9000113.8
195N29.8Very low32.5Very low133 Ų133130.1 Ų130.171%0.71179%0.785SS**  41.6114.8125.4-16919.6000120.6
196S30.4Very low32.7Very low115 Ų115132.3 Ų132.380%0.80479%0.788SS**  -173.9151.9114.6-86.80000115.8
197S32.8Very low32.6Very low86 Ų86127.5 Ų127.560%0.60178%0.779SS**  trans-87.3174.2-172.465.40000115.7
198R32.5Very low32.6Very low221 Ų221126.9 Ų126.983%0.83477%0.773SS**  trans76.4156160.6-62.2169.2-164-146.11.7115.7
199Q31.3Very low32.4Very low153 Ų153126.5 Ų126.572%0.71577%0.77SS**  cis166.7136.2-19-166.8176.58.500103
200T29.8Very low32.5Very low119 Ų119132.6 Ų132.673%0.7377%0.773SS**  trans68.3142.61645.20000119.7
201S29.8Very low32.5Very low121 Ų121130 Ų13085%0.84677%0.769SS**  trans63.7142.1153.2-50.90000117.4
202G27.2Very low31.3Very low59 Ų59129.9 Ų129.961%0.60877%0.771SS**  cis148.21116.500000110.2
203S28.7Very low31.1Very low96 Ų96131.9 Ų131.967%0.67177%0.77SS**  trans83.4153139.6-48.70000122
204F31.5Very low30.9Very low164 Ų164129.3 Ų129.372%0.71976%0.763SS**  trans84.5106.2157.8-43.6-54.6000117.1
205Q36Very low30.9Very low181 Ų181127.6 Ų127.685%0.84676%0.763SS**  83.8146.990.7-76169.1-1.100111.8
206S35.8Very low30.8Very low125 Ų125124.9 Ų124.987%0.87477%0.767SS**  cis-153.7164.117.6-177.60000107.7
207G30.2Very low30.7Very low73 Ų73126 Ų12675%0.75377%0.769SS**  cis-167.1-166.21.300000107.3
208G29.6Very low30.5Very low70 Ų70126.6 Ų126.672%0.72277%0.773SS**  cis-170.5135.4-5.500000110.7
209S30.7Very low30.4Very low118 Ų118123.8 Ų123.883%0.82578%0.775SS**  trans51112.2131.5-480000122.1
210Y30.3Very low30.3Very low230 Ų230122.9 Ų122.990%0.90278%0.78SS**  -138.2154.7123.653.3-97.5000110.3
211S30.2Very low30.6Very low116 Ų116123.4 Ų123.481%0.81178%0.782SS**  trans-102.7158.9-148.3-56.50000116.3
212S31.9Very low30.5Very low105 Ų105122.3 Ų122.373%0.73478%0.775SS**  trans-60.6165.7173.7-31.30000115.1
213H29.1Very low31Very low183 Ų183126.6 Ų126.685%0.84778%0.784SS**  -174.899.8128.4-87.297.5000106.7
214S29.9Very low31.2Very low95 Ų95130.7 Ų130.766%0.66479%0.792SS**  60130.481.569.20000114.8
215S30.5Very low31.6Very low116 Ų116127.6 Ų127.681%0.81179%0.788SS**  cis-177.3147.41.340.60000112.6
216G27.5Very low31.8Very low77 Ų77124.9 Ų124.979%0.79479%0.786SS**  trans79.8131.9163.300000116.1
217V29.4Very low31.8Very low138 Ų138125.2 Ų125.284%0.83679%0.787SS**  cis-157.8137.737.5159.80000111.2
218S27.5Very low32.2Very low99 Ų99127.2 Ų127.269%0.69279%0.789SS**  trans31.8104153.3-49.60000122.1
219N30.6Very low32.7Very low162 Ų162129.4 Ų129.487%0.86679%0.794SS**  -175.1143.889.3-104.10.4000111.8
220T29.9Very low33.4Very low134 Ų134131.4 Ų131.482%0.82280%0.795SS**  trans-86.5128.3-157.1-19.40000114.2
221V36Very low33.7Very low129 Ų129126.8 Ų126.878%0.78279%0.791SS**  trans-114.2124.3160.3175.30000108
222S29Very low34.2Very low98 Ų98126.2 Ų126.269%0.68578%0.784SS**  trans-134.4107.5170.7-68.60000110.7
223N37.2Very low34.6Very low150 Ų150128.6 Ų128.680%0.80279%0.789SS**  trans-59.2135.5156.7-66.5-57000108.9
224H32.6Very low34.8Very low181 Ų181125.5 Ų125.584%0.83879%0.788SS**  trans-138.9145.3166-109.126.6000114.1
225P40.5Very low35.2Very low100 Ų100126.1 Ų126.165%0.64979%0.789SS**PPolyproline II helixtrans-78.1172.7-175.634.8-37.4000112.6
226P39.3Very low35.5Very low124 Ų124126.9 Ų126.981%0.80579%0.793SS**PPolyproline II helixtrans-71.8142-168.129-36.3000113.4S228P226-S228 PolarHBondContact O-N 3.3Å
227C35.1Very low35.9Very low132 Ų132128.7 Ų128.789%0.89279%0.794SS**PPolyproline II helixtrans-71.6121.6177.9-62.50000112.1
228S38.7Very low36.3Very low114 Ų114125.6 Ų125.680%0.79779%0.79SS**PPolyproline II helixtrans-68.4140.6169.9-64.90000112.3P226 N230P226-S228 PolarHBondContact O-N 3.3Å; S228-N230 PolarHBondContact O-N 2.85Å; S228-N230 VanDerWaalsContact O-N 3.1Å
229S40.3Very low36.3Very low116 Ų116124 Ų12481%0.81179%0.79SS**SBendtrans-64.6104.2162-55.70000110.1
230N45.6Very low36.3Very low160 Ų160122.2 Ų122.286%0.85679%0.786SS**  trans-175.232.1156.8-95.9-19.4000114.7S228S228-N230 PolarHBondContact O-N 2.85Å; S228-N230 VanDerWaalsContact O-N 3.1Å
231V37.3Very low36.4Very low134 Ų134122.1 Ų122.181%0.81279%0.785SS**  trans-139.1120.3167.8-175.40000109.1
232P40.3Very low36Very low104 Ų104122 Ų12268%0.67578%0.779SS**  trans-76.6152.2164.832.4-31.3000110.5
233D40.1Very low36.1Very low154 Ų154123 Ų12382%0.82478%0.781SS**  trans74.771.1170.7-52.6-40.5000118.6
234S34.4Very low35.8Very low119 Ų119122.3 Ų122.383%0.83277%0.773SS**  trans-156.6155.5139-91.10000113C236S234-C236 PolarHBondContact O-N 3.1Å
235P37.9Very low36Very low107 Ų107119.4 Ų119.470%0.69577%0.773SS**  trans-95.4109.5-144.834.1-35.2000115.6
236C35.8Very low35.6Very low132 Ų132116.6 Ų116.689%0.89276%0.762SS**  trans-112.171.7155.3-77.90000109.3S234 G238S234-C236 PolarHBondContact O-N 3.1Å; C236-G238 PolarHBondContact O-N 2.95Å
237S36.9Very low35.1Very low115 Ų115116.9 Ų116.980%0.80476%0.764SS**  trans-80.171.7-167.8-58.30000114.4
238G36.6Very low34.9Very low73 Ų73119.5 Ų119.575%0.75376%0.757SS**  trans-88105.7148.900000108.6C236C236-G238 PolarHBondContact O-N 2.95Å
239G28.6Very low34.4Very low67 Ų67121.4 Ų121.469%0.69176%0.756SS**PPolyproline II helixtrans-61.9152.6-171.100000114.5
240P31.2Very low33.8Very low123 Ų123120.6 Ų120.680%0.79975%0.751SS**PPolyproline II helixtrans-72.8132-170.629.2-35.2000112.9I242P240-I242 PolarHBondContact O-N 3.19Å
241V30.2Very low32.9Very low132 Ų132119.3 Ų119.380%0.874%0.744SS**PPolyproline II helixtrans-66.1129.6156.7179.20000107.6T243V241-T243 PolarHBondContact O-N 3.21Å
242I29.1Very low32.5Very low128 Ų128117.2 Ų117.266%0.65674%0.735SS**  trans-70.296.8-179-60.9171.4000109.1P240 H244P240-I242 PolarHBondContact O-N 3.19Å; I242-H244 PolarHBondContact O-N 3.19Å
243T30.8Very low32.1Very low118 Ų118120.4 Ų120.472%0.72474%0.741SS**  trans-71.496.8170.5-53.10000109.2V241 S245V241-T243 PolarHBondContact O-N 3.21Å; T243-S245 VanDerWaalsContact C-N 3.29Å; T243-S245 PolarHBondContact O-N 3.11Å
244H30.4Very low31.7Very low136 Ų136118.8 Ų118.863%0.6374%0.736SS**  trans-70.785169.8-71.5-71.7000110.6I242 G246 Y248I242-H244 PolarHBondContact O-N 3.19Å; H244-G246 PolarHBondContact O-N 3.1Å; H244-Y248 WeakPolarHBondContact O-CE2 3.41Å
245S37.4Very low31.7Very low119 Ų119118.6 Ų118.683%0.83273%0.73SS**  trans-74.958.5167.643.20000111.7T243T243-S245 VanDerWaalsContact C-N 3.29Å; T243-S245 PolarHBondContact O-N 3.11Å
246G31.7Very low31.3Very low42 Ų42119.5 Ų119.543%0.43374%0.739SS.*SBendtrans-92.3160.516000000110.6H244 Y248H244-G246 PolarHBondContact O-N 3.1Å; G246-Y248 PolarHBondContact O-N 3.02Å
247P29.3Very low31.4Very low130 Ų130116.7 Ų116.784%0.84473%0.732SS**  trans-67.495175.128.4-33.6000109.8I249P247-I249 PolarHBondContact O-N 3.05Å
248Y29.7Very low31.2Very low186 Ų186114.7 Ų114.773%0.72973%0.73SS**  trans-60.8109.5172.3-91.6-91.9000109.1H244 G246 S250H244-Y248 WeakPolarHBondContact O-CE2 3.41Å; G246-Y248 PolarHBondContact O-N 3.02Å; Y248-S250 PolarHBondContact O-N 2.82Å
249I29.6Very low31Very low154 Ų154118.4 Ų118.479%0.7973%0.728SS**  trans-68.5100.1169.4-48.6164.8000106.1P247 N251P247-I249 PolarHBondContact O-N 3.05Å; I249-N251 VanDerWaalsContact C-N 3.34Å; I249-N251 PolarHBondContact O-N 3.16Å
250S26.4Very low31Very low100 Ų100126 Ų12670%0.69974%0.735SS**  trans-65.192.1176.9-69.60000110.2Y248 S252Y248-S250 PolarHBondContact O-N 2.82Å; S250-S252 PolarHBondContact O-N 2.99Å
251N27.4Very low31Very low133 Ų133124.6 Ų124.671%0.71173%0.726SS**  trans-71.471.2160.5-92.46.1000108.9I249 H253I249-N251 VanDerWaalsContact C-N 3.34Å; I249-N251 PolarHBondContact O-N 3.16Å; N251-H253 PolarHBondContact O-CD2 3.33Å; N251-H253 PolarHBondContact O-N 3.24Å
252S27.8Very low31.1Very low89 Ų89124.6 Ų124.662%0.62273%0.726SS**  trans-63.9101165.449.20000108.4S250 T254S250-S252 PolarHBondContact O-N 2.99Å; S252-T254 PolarHBondContact O-N 3.44Å
253H33.7Very low31.4Very low171 Ų171124 Ų12479%0.79273%0.729SS**  trans-69.473.7167.3-74.1-90.6000109.9N251 V255N251-H253 PolarHBondContact O-CD2 3.33Å; N251-H253 PolarHBondContact O-N 3.24Å; H253-V255 PolarHBondContact O-N 3.19Å; H253-V255 VanDerWaalsContact O-N 3.15Å
254T31Very low31.5Very low120 Ų120123.8 Ų123.874%0.73673%0.727SS**  trans-67.6104161.440.50000108.5S252 S256S252-T254 PolarHBondContact O-N 3.44Å; T254-S256 PolarHBondContact O-N 3.46Å
255V33.4Very low31.8Very low116 Ų116123.1 Ų123.170%0.70373%0.732SS**  trans-66.5122.3163.5-174.30000107.4H253 G257H253-V255 PolarHBondContact O-N 3.19Å; H253-V255 VanDerWaalsContact O-N 3.15Å; V255-G257 PolarHBondContact O-N 3.48Å; V255-G257 VanDerWaalsContact O-N 3.08Å
256S30.3Very low31.6Very low126 Ų126123.4 Ų123.488%0.88173%0.729SS**THydrogen-bonded Turntrans-56.4114.7173.7-67.10000109.6T254T254-S256 PolarHBondContact O-N 3.46Å
257G38.1Very low31.6Very low72 Ų72128 Ų12874%0.74274%0.739SS**THydrogen-bonded Turntrans137.3-11.6-176.200000115.3V255 Q259V255-G257 PolarHBondContact O-N 3.48Å; V255-G257 VanDerWaalsContact O-N 3.08Å; G257-Q259 PolarHBondContact O-N 3.39Å
258G32.8Very low31.7Very low74 Ų74130.6 Ų130.676%0.76374%0.739SS**  trans71.5-2.2167.900000116.7
259Q31.6Very low31.8Very low150 Ų150127.5 Ų127.570%0.70173%0.732SS**PPolyproline II helixtrans-78124.8174.7-69.9-178.6-10.600110.6G257G257-Q259 PolarHBondContact O-N 3.39Å
260R30Very low31.9Very low227 Ų227123.4 Ų123.486%0.85773%0.727SS**PPolyproline II helixtrans-77.6129.5176.9-66176.9174.8-118.7-3.6109.2V262R260-V262 PolarHBondContact O-N 3.49Å
261P31.3Very low32.3Very low94 Ų94124.6 Ų124.661%0.6174%0.735SS**PPolyproline II helixtrans-64.9125.9176.226.4-33.1000110
262V32.3Very low32.6Very low132 Ų132122.1 Ų122.180%0.874%0.741SS**  trans-91.7107.6171.2178.80000107.6R260 V264R260-V262 PolarHBondContact O-N 3.49Å; V262-V264 HydrophobicContact CG1-CG2 4.44Å
263V34.7Very low32.8Very low116 Ų116120.6 Ų120.670%0.70374%0.739SS**  trans-85.5114172.9-178.20000108.1V265V263-V265 HydrophobicContact CG1-CG2 4.08Å
264V33Very low32.9Very low113 Ų113119.5 Ų119.569%0.68575%0.748SS**  trans-89.8103.6167.1-179.50000107.4V262 V266V262-V264 HydrophobicContact CG1-CG2 4.44Å; V264-V266 HydrophobicContact CG1-CG2 4.25Å; V264-V266 PolarHBondContact O-N 3.02Å
265V35.3Very low33.1Very low122 Ų122117.2 Ų117.274%0.73975%0.747SS**  trans-75.8117170-1780000107.7V263V263-V265 HydrophobicContact CG1-CG2 4.08Å
266V33.5Very low33.6Very low125 Ų125115.1 Ų115.176%0.75875%0.75SS**  trans-101.3107.8164.1-170.40000105.9V264 Q268V264-V266 HydrophobicContact CG1-CG2 4.25Å; V264-V266 PolarHBondContact O-N 3.02Å; V266-Q268 PolarHBondContact O-N 3.14Å
267E32.7Very low33.7Very low139 Ų139119.2 Ų119.265%0.6575%0.752SS**  trans-67.8101.9177.4-169177.3155.700108.9H269E267-H269 VanDerWaalsContact C-N 3.29Å; E267-H269 VanDerWaalsContact CD-CE1 3.43Å; E267-H269 PolarHBondContact O-N 3Å; E267-H269 IonicContact OE1-CE1 2.98Å; E267-H269 PolarHBondContact OE1-CE1 3.44Å; E267-H269 IonicContact OE1-ND1 3.22Å; E267-H269 PolarHBondContact OE1-ND1 3.22Å
268Q31.6Very low34Very low183 Ų183125.7 Ų125.786%0.85576%0.763SS**  trans-75.188.4170.5-173178.435.700107.7V266 G270V266-Q268 PolarHBondContact O-N 3.14Å; Q268-G270 PolarHBondContact O-N 3.04Å
269H31.7Very low34Very low122 Ų122125.6 Ų125.657%0.56576%0.762SS**  trans-55.2107.6168.1-67.4-60.4000108.7E267 S271E267-H269 VanDerWaalsContact C-N 3.29Å; E267-H269 VanDerWaalsContact CD-CE1 3.43Å; E267-H269 PolarHBondContact O-N 3Å; E267-H269 IonicContact OE1-CE1 2.98Å; E267-H269 PolarHBondContact OE1-CE1 3.44Å; E267-H269 IonicContact OE1-ND1 3.22Å; E267-H269 PolarHBondContact OE1-ND1 3.22Å; H269-S271 PolarHBondContact O-N 3.22Å
270G32.4Very low34.3Very low67 Ų67126 Ų12669%0.69177%0.765SS**  trans-60.9129179.100000109.9Q268 G272Q268-G270 PolarHBondContact O-N 3.04Å; G270-G272 PolarHBondContact O-N 2.94Å
271S34.6Very low34.8Very low126 Ų126120.6 Ų120.688%0.88176%0.76SS**  trans-53.7112.6175.4-54.30000109.8H269 G273H269-S271 PolarHBondContact O-N 3.22Å; S271-G273 PolarHBondContact O-N 3.46Å; S271-G273 VanDerWaalsContact O-N 3.14Å
272G33.1Very low35.2Very low80 Ų80119.5 Ų119.583%0.82575%0.754SS**  trans-57.5118.4-178.600000111.2G270G270-G272 PolarHBondContact O-N 2.94Å
273G31.3Very low35.8Very low57 Ų57118 Ų11859%0.58875%0.75SS**  trans-65.7158.1165.100000110.8S271 G275S271-G273 PolarHBondContact O-N 3.46Å; S271-G273 VanDerWaalsContact O-N 3.14Å; G273-G275 PolarHBondContact O-N 2.83Å
274P36Very low36.3Very low149 Ų149120.1 Ų120.197%0.96876%0.757SS**SBendtrans-73.591.3-17830.3-34.4000111.1
275G35.7Very low36.6Very low71 Ų71118.7 Ų118.773%0.73277%0.765SS**  trans-174108.8174.700000109.8G273G273-G275 PolarHBondContact O-N 2.83Å
276G42.9Very low36.9Very low73 Ų73115.6 Ų115.675%0.75376%0.758SS**  trans-80130.1-165.700000114.6
277F33.4Very low37.1Very low211 Ų211114.9 Ų114.993%0.92576%0.756SS**  trans-145.6134.8144.7-92.8-78000108.4
278Q43.8Very low37.6Very low209 Ų209114.5 Ų114.598%0.97777%0.768SS**  trans-79120177.4-77.9174.9-41.900110.3
279G33.9Very low38.2Very low72 Ų72109.5 Ų109.574%0.74277%0.766SS**  trans-137.1103.1174.100000111.6
280M37.9Very low38.4Very low157 Ų157111.9 Ų111.977%0.77378%0.775SS**  trans32.299.4163.1-78.1-79.3-78.800118.4
281P40.2Very low38.6Very low115 Ų115114.5 Ų114.575%0.74778%0.779SS**  trans-71.1162.2157.634-34000110.6S283P281-S283 PolarHBondContact O-N 3.49Å
282C39.5Very low38.6Very low70 Ų70112 Ų11247%0.47376%0.761SS.*  trans-41.6130.6-178-45.80000113.6N284 G285 C292C282-N284 PolarHBondContact O-N 2.77Å; C282-G285 PolarHBondContact O-N 2.89Å; C282-C292 PolarHBondContact SG-SG 3.32Å
283S44.8Very low38.6Very low102 Ų102113.4 Ų113.471%0.71376%0.756SS**SBendtrans-65.720-173.4-48.50000116.8P281P281-S283 PolarHBondContact O-N 3.49Å
284N44.2Very low38.6Very low159 Ų159115.8 Ų115.885%0.8576%0.761SS**SBendtrans-145.358.3172.4-83.8-46.8000111.2C282 G286C282-N284 PolarHBondContact O-N 2.77Å; N284-G286 VanDerWaalsContact C-N 3.3Å; N284-G286 PolarHBondContact O-N 3.49Å
285G39.2Very low38.6Very low83 Ų83116.6 Ų116.686%0.85676%0.756SS**  trans48.234152.200000118.7C282C282-G285 PolarHBondContact O-N 2.89Å
286G42.1Very low38.6Very low57 Ų57119.5 Ų119.559%0.58876%0.759SS**PPolyproline II helixtrans-81.1142.3-17800000113N284N284-G286 VanDerWaalsContact C-N 3.3Å; N284-G286 PolarHBondContact O-N 3.49Å
287P37.3Very low38.1Very low111 Ų111120 Ų12072%0.72175%0.751SS**PPolyproline II helixtrans-68.5141.1177.628.2-34.5000112.2
288S43.6Very low38.4Very low131 Ų131116.4 Ų116.492%0.91675%0.746SS**THydrogen-bonded Turntrans-56.5134.8-176.9-29.40000112.8
289G44Very low37.8Very low78 Ų78114.9 Ų114.980%0.80474%0.739SS**THydrogen-bonded Turntrans95.220.7170.100000116.4
290K37Very low37.6Very low171 Ų171120.4 Ų120.474%0.74374%0.743SS**SBendtrans-120.8141.1164.6-63-62.6178.7-172.20110.3
291P35.4Very low37.6Very low122 Ų122117.7 Ų117.779%0.79274%0.737SS**PPolyproline II helixtrans-65.3136.617228.2-33.4000109.6
292C35.5Very low37.3Very low74 Ų74123.2 Ų123.250%0.574%0.744SS.*PPolyproline II helixtrans-62.7143.9177.8-64.50000111C282C282-C292 PolarHBondContact SG-SG 3.32Å
293P33.3Very low36.8Very low110 Ų110123.4 Ų123.471%0.71476%0.758SS**PPolyproline II helixtrans-63.1145.1171.728-34000110I295P293-I295 PolarHBondContact O-N 3.46Å
294P31.8Very low36Very low107 Ų107122.4 Ų122.470%0.69576%0.764SS**PPolyproline II helixtrans-62.6136.4179.226.6-34.3000110.4T296P294-T296 VanDerWaalsContact C-N 3.32Å; P294-T296 PolarHBondContact O-N 3.11Å
295I34.6Very low35.4Very low166 Ų166124.7 Ų124.785%0.85176%0.762SS**  trans-72.286.3-179.8-53.1175.3000109.4P293 S297P293-I295 PolarHBondContact O-N 3.46Å; I295-S297 PolarHBondContact O-N 2.91Å
296T36.4Very low35.1Very low131 Ų131128.9 Ų128.980%0.80476%0.76SS**  trans-85.975.8171.5590000110.4P294P294-T296 VanDerWaalsContact C-N 3.32Å; P294-T296 PolarHBondContact O-N 3.11Å
297S31.7Very low34.6Very low85 Ų85132 Ų13259%0.59477%0.767SS**  trans-13093.8164.3-166.80000110.9I295 Q299I295-S297 PolarHBondContact O-N 2.91Å; S297-Q299 PolarHBondContact O-N 3.47Å
298V39.4Very low34.4Very low134 Ų134132.5 Ų132.581%0.81277%0.768SS**  trans-90.187.9166.4-177.60000107.7
299Q31.2Very low33.7Very low177 Ų177130 Ų13083%0.82776%0.763SS**  trans-112.3119.3159.5-73.7-174.7-9.900108.6S297S297-Q299 PolarHBondContact O-N 3.47Å
300K30.6Very low32.9Very low189 Ų189129 Ų12982%0.82275%0.753SS**  trans-82.4167176.4-62.9173.2-179.1171.40109.7
301P36.9Very low32.6Very low100 Ų100124.7 Ų124.765%0.64974%0.744SS**SBendcis-110.1176-10.331.4-15.1000111.9
302Y35.6Very low32.6Very low230 Ų230122.4 Ų122.490%0.90274%0.735SS**  trans65.255.2179.3-49.7-81.8000115.8
303G28.7Very low32.6Very low75 Ų75126.2 Ų126.277%0.77375%0.75SS**  trans-101.9105.1160.900000110.5
304G27.6Very low32.8Very low81 Ų81124.3 Ų124.384%0.83574%0.74SS**PPolyproline II helixtrans-73.4134.5166.200000109.8
305Y30.9Very low33Very low206 Ų206129.2 Ų129.281%0.80875%0.746SS**PPolyproline II helixtrans-91120.2171.551.7-87000108.9V307Y305-V307 HydrophobicContact CD2-CG2 4.12Å; Y305-V307 HydrophobicContact CE2-CG2 4.34Å
306E33.3Very low33.3Very low171 Ų171124.9 Ų124.980%0.79972%0.724SS**PPolyproline II helixtrans-82.2120.6175-169.1173.3179.900109.5V308E306-V308 HydrophobicContact CB-CG2 4.49Å; E306-V308 HydrophobicContact CG-CG2 4.02Å; E306-V308 PolarHBondContact O-N 3.45Å; E306-V308 VanDerWaalsContact O-N 3.16Å
307V31.2Very low33.3Very low122 Ų122121.4 Ų121.474%0.73971%0.709SS**  trans-84.786.1174.8-1780000108.1Y305 G309Y305-V307 HydrophobicContact CD2-CG2 4.12Å; Y305-V307 HydrophobicContact CE2-CG2 4.34Å; V307-G309 PolarHBondContact O-N 3.35Å
308V33.1Very low33.8Very low123 Ų123123 Ų12375%0.74572%0.717SS**  trans-75.2121.3176.2-176.10000109.8E306E306-V308 HydrophobicContact CB-CG2 4.49Å; E306-V308 HydrophobicContact CG-CG2 4.02Å; E306-V308 PolarHBondContact O-N 3.45Å; E306-V308 VanDerWaalsContact O-N 3.16Å
309G29.3Very low34.1Very low79 Ų79118 Ų11881%0.81469%0.693SS**SBendtrans91.367.1158.700000116.9V307V307-G309 PolarHBondContact O-N 3.35Å
310G28.3Very low34.6Very low57 Ų57112.5 Ų112.559%0.58867%0.668SS**  trans-148.4125.8161.100000110.7
311S29.9Very low35.8Very low79 Ų79106.9 Ų106.955%0.55265%0.65SS**  trans-60.4150168.41790000109.4N313 S314S311-N313 PolarHBondContact O-N 2.98Å; S311-S314 PolarHBondContact O-N 2.85Å; S311-S314 PolarHBondContact O-OG 3.41Å
312A35.1Very low35.9Very low74 Ų74108.9 Ų108.961%0.61265%0.645SS**THydrogen-bonded Turntrans-57.5-10.1-179.400000114.1Y315A312-Y315 WeakPolarHBondContact O-CE2 3.49Å
313N35.3Very low36.2Very low154 Ų154101.3 Ų101.382%0.82463%0.626SS**THydrogen-bonded Turntrans-86.7-4.5178.6-56.1-8.7000113.9S311S311-N313 PolarHBondContact O-N 2.98Å
314S37.7Very low36.9Very low71 Ų71101.6 Ų101.650%0.49763%0.629SS.*  trans-133.951.8-169.652.70000113.8S311 L316S311-S314 PolarHBondContact O-N 2.85Å; S311-S314 PolarHBondContact O-OG 3.41Å; S314-L316 PolarHBondContact O-N 2.98Å; S314-L316 VanDerWaalsContact O-N 3.09Å
315Y36.4Very low37.8Very low209 Ų209100.2 Ų100.282%0.8261%0.614SS**  trans-7095.7164.5-73.1-81.4000110.7A312A312-Y315 WeakPolarHBondContact O-CE2 3.49Å
316L39.9Very low38.1Very low75 Ų7596 Ų9639%0.39360%0.601SS.*PPolyproline II helixtrans-67.5134.5162.1-66176.7000109.1S314 M320 I327S314-L316 PolarHBondContact O-N 2.98Å; S314-L316 VanDerWaalsContact O-N 3.09Å; L316-M320 HydrophobicContact CB-CB 4.41Å; L316-I327 HydrophobicContact CD2-CD1 3.84Å; L316-I327 HydrophobicContact CD2-CG1 4.01Å; L316-I327 HydrophobicContact CD2-CG2 3.93Å
317A37.8Very low38.6Very low59 Ų5991.9 Ų91.949%0.48858%0.583SS.*PPolyproline II helixtrans-60.1144.6174.100000110.4G319 M320A317-G319 PolarHBondContact O-N 3.02Å; A317-M320 HydrophobicContact CB-CG 4.2Å; A317-M320 WeakPolarHBondContact O-CG 3.43Å; A317-M320 PolarHBondContact O-N 3.2Å
318P42.3Very low39.2Very low117 Ų11790.7 Ų90.776%0.7657%0.566SS**THydrogen-bonded Turntrans-53.2125177.8-26.834.9000111.4
319G44.7Very low39.4Very low30 Ų3089 Ų8931%0.30956%0.557SS.*THydrogen-bonded Turntrans94.79.8-174.600000115.2A317 V330A317-G319 PolarHBondContact O-N 3.02Å; G319-V330 WeakPolarHBondContact O-CB 3.43Å; G319-V330 PolarHBondContact O-N 3.27Å
320M42.4Very low40.4Very low62 Ų6288.8 Ų88.831%0.30554%0.54SS..EExtended strand (participates in β ladder)trans-111.2144.1170.1-51.7-60.4-72.700111.4L316 A317 I327 Y328 P329L316-M320 HydrophobicContact CB-CB 4.41Å; A317-M320 HydrophobicContact CB-CG 4.2Å; A317-M320 WeakPolarHBondContact O-CG 3.43Å; A317-M320 PolarHBondContact O-N 3.2Å; M320-I327 HydrophobicContact CB-CG2 3.73Å; M320-I327 HydrophobicContact CE-CG2 3.67Å; M320-I327 HydrophobicContact CG-CG2 4.28Å; M320-Y328 CarbonylContact C-O 3.57Å; M320-Y328 WeakPolarHBondContact CA-O 3.48Å; M320-P329 HydrophobicContact CE-CB 4.06Å; M320-P329 HydrophobicContact SD-CB 3.91Å
321T54.8Low40.6Very low70 Ų7088.8 Ų88.843%0.42954%0.54SS..EExtended strand (participates in β ladder)trans-121.3155.4171.9-171.60000110.9I327 Y328 V330T321-I327 CarbonylContact O-C 3.6Å; T321-I327 WeakPolarHBondContact O-CA 3.37Å; T321-Y328 PolarHBondContact N-O 3.13Å; T321-Y328 PolarHBondContact O-N 3.37Å; T321-V330 HydrophobicContact CG2-CG2 3.65Å
322Y40.3Very low40.8Very low142 Ų14293.2 Ų93.256%0.55755%0.546SS*.EExtended strand (participates in β ladder)trans-117.3126.4-179.2-179-100.1000110.7G325 K326 I327Y322-G325 VanDerWaalsContact CE2-C 3.46Å; Y322-G325 WeakPolarHBondContact OH-CA 3.47Å; Y322-K326 WeakPolarHBondContact CA-O 3.4Å; Y322-I327 HydrophobicContact CD2-CG1 4.02Å
323S42Very low40.5Very low72 Ų7298.9 Ų98.950%0.50356%0.557SS.*EExtended strand (participates in β ladder)trans-147131.3177.6-179.30000110.7G325 K326 Y328S323-G325 VanDerWaalsContact C-N 3.29Å; S323-G325 PolarHBondContact O-N 3.03Å; S323-K326 PolarHBondContact N-O 3.3Å; S323-K326 PolarHBondContact O-N 3.08Å; S323-Y328 WeakPolarHBondContact O-CE2 3.39Å
324G41.8Very low40.2Very low80 Ų8096.4 Ų96.483%0.82555%0.548SS*.THydrogen-bonded Turntrans56.237.2174.800000114.8
325G46.7Very low40Very low52 Ų52102.6 Ų102.654%0.53657%0.566SS.*THydrogen-bonded Turntrans87.4-3.3-178.700000115.5Y322 S323Y322-G325 VanDerWaalsContact CE2-C 3.46Å; Y322-G325 WeakPolarHBondContact OH-CA 3.47Å; S323-G325 VanDerWaalsContact C-N 3.29Å; S323-G325 PolarHBondContact O-N 3.03Å
326K36.9Very low39.9Very low119 Ų11998.4 Ų98.452%0.51756%0.558SS.*EExtended strand (participates in β ladder)trans-123.2146-171.2-61.8-179.3-176.3178.50112Y322 S323 Y328Y322-K326 WeakPolarHBondContact CA-O 3.4Å; S323-K326 PolarHBondContact N-O 3.3Å; S323-K326 PolarHBondContact O-N 3.08Å; K326-Y328 HydrophobicContact CB-CE2 3.76Å; K326-Y328 WeakPolarHBondContact O-CD2 3.44Å; K326-Y328 WeakPolarHBondContact O-CE2 3.48Å
327I45.3Very low39.3Very low83 Ų83101.6 Ų101.643%0.42658%0.575SS.*EExtended strand (participates in β ladder)trans-97.1128.8177.7-51173.9000108.8L316 M320 T321 Y322L316-I327 HydrophobicContact CD2-CD1 3.84Å; L316-I327 HydrophobicContact CD2-CG1 4.01Å; L316-I327 HydrophobicContact CD2-CG2 3.93Å; M320-I327 HydrophobicContact CB-CG2 3.73Å; M320-I327 HydrophobicContact CE-CG2 3.67Å; M320-I327 HydrophobicContact CG-CG2 4.28Å; T321-I327 CarbonylContact O-C 3.6Å; T321-I327 WeakPolarHBondContact O-CA 3.37Å; Y322-I327 HydrophobicContact CD2-CG1 4.02Å
328Y43.7Very low39.1Very low97 Ų97105 Ų10538%0.3859%0.592SS.*EExtended strand (participates in β ladder)trans-120137.5180-58.3-91.4000110.8M320 T321 S323 K326 V330M320-Y328 CarbonylContact C-O 3.57Å; M320-Y328 WeakPolarHBondContact CA-O 3.48Å; T321-Y328 PolarHBondContact N-O 3.13Å; T321-Y328 PolarHBondContact O-N 3.37Å; S323-Y328 WeakPolarHBondContact O-CE2 3.39Å; K326-Y328 HydrophobicContact CB-CE2 3.76Å; K326-Y328 WeakPolarHBondContact O-CD2 3.44Å; K326-Y328 WeakPolarHBondContact O-CE2 3.48Å; Y328-V330 PolarHBondContact O-N 2.88Å
329P36.4Very low38.6Very low87 Ų87105.7 Ų105.757%0.56559%0.594SS**EExtended strand (participates in β ladder)trans-71.4127.2169.729.8-32.7000110.4M320M320-P329 HydrophobicContact CE-CB 4.06Å; M320-P329 HydrophobicContact SD-CB 3.91Å
330V50.1Low38.1Very low76 Ų76114.5 Ų114.546%0.46162%0.624SS.*  trans-87.6106.4172.6-174.60000107.5G319 T321 Y328 Y332G319-V330 WeakPolarHBondContact O-CB 3.43Å; G319-V330 PolarHBondContact O-N 3.27Å; T321-V330 HydrophobicContact CG2-CG2 3.65Å; Y328-V330 PolarHBondContact O-N 2.88Å; V330-Y332 PolarHBondContact O-N 3.44Å
331G33.1Very low37.9Very low57 Ų57114.7 Ų114.759%0.58864%0.642SS**  trans-60.6134178.700000112.2
332Y33.1Very low36.6Very low172 Ų172116.3 Ų116.368%0.67566%0.656SS**  trans-71.9127.9174.6-66.9-91.9000110.4V330 T334V330-Y332 PolarHBondContact O-N 3.44Å; Y332-T334 PolarHBondContact O-N 2.92Å
333F29.8Very low36.4Very low193 Ų193116.3 Ų116.385%0.84667%0.673SS**  trans-79.5109.3169.2-70.5-88.9000109.9K335F333-K335 PolarHBondContact O-N 3.01Å
334T28.4Very low36Very low102 Ų102115.8 Ų115.863%0.62668%0.679SS**  trans-71.6124.2163.7430000109.2Y332 D336Y332-T334 PolarHBondContact O-N 2.92Å; T334-D336 PolarHBondContact O-N 3.14Å
335K34.4Very low35.4Very low201 Ų201116.2 Ų116.287%0.87468%0.675SS**  trans-8549.5-179.2-163.9-169.1170.2175.50111.2F333F333-K335 PolarHBondContact O-N 3.01Å
336D33.1Very low34.7Very low121 Ų121118.8 Ų118.865%0.64768%0.682SS**  trans-109.883.7-178-64.7-59.6000109.8T334T334-D336 PolarHBondContact O-N 3.14Å
337N27.7Very low34.6Very low141 Ų141118.8 Ų118.875%0.75470%0.698SS**  trans42.7101.9162.4-61.5-45.6000117.9V339N337-V339 PolarHBondContact O-N 2.98Å; N337-V339 VanDerWaalsContact O-N 3.11Å
338P33.7Very low34Very low130 Ų130123.6 Ų123.684%0.84472%0.715SS**  trans-63.4117.8164.628-32.8000109.7K340P338-K340 PolarHBondContact O-N 2.9Å
339V32.7Very low33.3Very low133 Ų133123.9 Ų123.981%0.80674%0.738SS**  trans-60.8121.6173.3-1790000108.4N337 G341N337-V339 PolarHBondContact O-N 2.98Å; N337-V339 VanDerWaalsContact O-N 3.11Å; V339-G341 PolarHBondContact O-N 3.22Å
340K34.6Very low33.2Very low214 Ų214124 Ų12493%0.9375%0.747SS**SBendtrans-7784-168.2-163.9-178.8-171.6-177.70110.8P338P338-K340 PolarHBondContact O-N 2.9Å
341G37.1Very low32.4Very low67 Ų67122.8 Ų122.869%0.69175%0.749SS**  trans164.634.6176.100000119.5V339V339-G341 PolarHBondContact O-N 3.22Å
342S26.9Very low32.2Very low103 Ų103125.6 Ų125.672%0.7276%0.757SS**  trans-127114.2178.1-62.10000112.7G344S342-G344 PolarHBondContact O-N 3.18Å; S342-G344 VanDerWaalsContact O-N 3.1Å
343P36.7Very low32.2Very low142 Ų142122 Ų12292%0.92276%0.755SS**  trans-80.783.717132.7-32000110
344G33.2Very low32.6Very low61 Ų61118.5 Ų118.563%0.62975%0.749SS**SBendtrans-168.3130.6175.800000111S342S342-G344 PolarHBondContact O-N 3.18Å; S342-G344 VanDerWaalsContact O-N 3.1Å
345A30.5Very low32.8Very low90 Ų90118.7 Ų118.774%0.74476%0.755SS**  trans-63.9144.5172.700000110.1S347A345-S347 PolarHBondContact O-N 3.41Å
346P30.8Very low33.2Very low105 Ų105119 Ų11968%0.68276%0.759SS**  trans-65.6120.2175.427.1-33.1000109.9F348P346-F348 PolarHBondContact O-N 3.02Å
347S35Very low33Very low120 Ų120116.3 Ų116.384%0.83976%0.759SS**  trans-65.8114.1174-68.90000110.5A345 A349A345-S347 PolarHBondContact O-N 3.41Å; S347-A349 PolarHBondContact O-N 3.15Å; S347-A349 VanDerWaalsContact O-N 3.1Å
348F32.4Very low33.2Very low183 Ų183117.3 Ų117.380%0.80376%0.757SS**  trans-71.6100.7172.4-68.8-88.1000110.3P346 A350P346-F348 PolarHBondContact O-N 3.02Å; F348-A350 VanDerWaalsContact C-N 3.27Å; F348-A350 PolarHBondContact O-N 3.09Å
349A30.5Very low32.9Very low103 Ų103121.9 Ų121.985%0.85176%0.759SS**  trans-76.580.4164.900000109.6S347 G351S347-A349 PolarHBondContact O-N 3.15Å; S347-A349 VanDerWaalsContact O-N 3.1Å; A349-G351 PolarHBondContact O-N 2.81Å; A349-G351 VanDerWaalsContact O-N 3.16Å
350A34Very low32.9Very low91 Ų91123.2 Ų123.275%0.75275%0.754SS**  trans-63.8113.3163.100000107.9F348F348-A350 VanDerWaalsContact C-N 3.27Å; F348-A350 PolarHBondContact O-N 3.09Å
351G33.9Very low32.7Very low49 Ų49118 Ų11851%0.50575%0.745SS.*PPolyproline II helixtrans-58.1151.7173.500000110.9A349A349-G351 PolarHBondContact O-N 2.81Å; A349-G351 VanDerWaalsContact O-N 3.16Å
352P28.8Very low32.4Very low117 Ų117120 Ų12076%0.7675%0.748SS**PPolyproline II helixtrans-55.9143.617824.4-33.8000110.3V354P352-V354 PolarHBondContact O-N 3.15Å; P352-V354 VanDerWaalsContact O-N 3.14Å
353P32.7Very low32.4Very low96 Ų96121.6 Ų121.662%0.62375%0.749SS**PPolyproline II helixtrans-59.6122.7-179.525.2-33.8000109.3S355P353-S355 PolarHBondContact O-N 3.04Å
354V36.8Very low32Very low119 Ų119120.5 Ų120.572%0.72174%0.742SS**  trans-64.7105.5172.8-850000108.8P352P352-V354 PolarHBondContact O-N 3.15Å; P352-V354 VanDerWaalsContact O-N 3.14Å
355S33.5Very low32Very low107 Ų107125.1 Ų125.175%0.74875%0.75SS**  trans-59.9145.817042.70000110.1P353 G357P353-S355 PolarHBondContact O-N 3.04Å; S355-G357 PolarHBondContact O-N 3.48Å
356E43.3Very low32Very low208 Ų208127.4 Ų127.497%0.97275%0.748SS**  trans-54.7104.3-169.2-62.7-175.9151.200112.4
357G29.1Very low31.8Very low63 Ų63126.7 Ų126.765%0.64974%0.744SS**  trans-127.162.5-162.600000113.7S355S355-G357 PolarHBondContact O-N 3.48Å
358K30.6Very low31.4Very low163 Ų163126.2 Ų126.271%0.70974%0.74SS**  trans52.869.1150.4-153.1178.6-163.9-178.60117.2F360K358-F360 HydrophobicContact CD-CD2 4.23Å; K358-F360 HydrophobicContact CD-CE2 3.65Å; K358-F360 HydrophobicContact CD-CZ 4.22Å; K358-F360 VanDerWaalsContact CE-CZ 3.41Å; K358-F360 HydrophobicContact CG-CD2 4.07Å; K358-F360 HydrophobicContact CG-CE2 3.99Å; K358-F360 PolarHBondContact O-N 3.46Å; K358-F360 VanDerWaalsContact O-N 3.13Å
359Y28.6Very low31.3Very low226 Ų226127.7 Ų127.789%0.88674%0.742SS**  trans-68.5104.8156.9-74.3-81.1000110.2S361Y359-S361 PolarHBondContact O-N 3.46Å; Y359-S361 VanDerWaalsContact O-N 3.15Å
360F31.2Very low31.1Very low160 Ų160128.3 Ų128.370%0.70274%0.74SS**  trans-7494.6164.3-84.2-82.7000109.6K358K358-F360 HydrophobicContact CD-CD2 4.23Å; K358-F360 HydrophobicContact CD-CE2 3.65Å; K358-F360 HydrophobicContact CD-CZ 4.22Å; K358-F360 VanDerWaalsContact CE-CZ 3.41Å; K358-F360 HydrophobicContact CG-CD2 4.07Å; K358-F360 HydrophobicContact CG-CE2 3.99Å; K358-F360 PolarHBondContact O-N 3.46Å; K358-F360 VanDerWaalsContact O-N 3.13Å
361S30.8Very low31Very low104 Ų104129.7 Ų129.773%0.72775%0.745SS**  trans-91.997.9155.655.70000108.9Y359 N363Y359-S361 PolarHBondContact O-N 3.46Å; Y359-S361 VanDerWaalsContact O-N 3.15Å; S361-N363 PolarHBondContact O-N 2.73Å
362S30.4Very low30.8Very low110 Ų110133 Ų13377%0.76976%0.76SS**  trans-71.476.8172.6-62.80000110.6
363N27.8Very low31Very low137 Ų137133.4 Ų133.473%0.73377%0.766SS**  trans-143.1110168.2-111.2-4000108.9S361 I365S361-N363 PolarHBondContact O-N 2.73Å; N363-I365 PolarHBondContact O-N 3.43Å; N363-I365 VanDerWaalsContact O-N 3.13Å
364P29.3Very low31Very low119 Ų119134.4 Ų134.477%0.77378%0.775SS**  trans-71.2108.7175.228.7-32000109.5I366P364-I366 PolarHBondContact O-N 3.16Å; P364-I366 VanDerWaalsContact O-N 3.15Å
365I31.2Very low31Very low157 Ų157137 Ų13781%0.80579%0.785SS**  trans-71.9107.2170.5-59.1177.2000107.6N363 P367N363-I365 PolarHBondContact O-N 3.43Å; N363-I365 VanDerWaalsContact O-N 3.13Å; I365-P367 WeakPolarHBondContact O-CD 3.45Å
366I30.8Very low30.9Very low138 Ų138136 Ų13671%0.70878%0.783SS**  trans-73.1123.7168.2-59.8174.7000107.4P364 S368P364-I366 PolarHBondContact O-N 3.16Å; P364-I366 VanDerWaalsContact O-N 3.15Å; I366-S368 PolarHBondContact O-N 3.44Å; I366-S368 VanDerWaalsContact O-N 3.09Å
367P26.7Very low30.3Very low91 Ų91136.6 Ų136.659%0.59178%0.778SS**  trans-70.1106.3175.4-17.531.9000110.6I365 Y369I365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-Y369 PolarHBondContact O-N 2.99Å
368S27.1Very low30.6Very low109 Ų109139.9 Ų139.976%0.76279%0.788SS**  trans-75.1105.6168.8-62.70000109.6I366 S370I366-S368 PolarHBondContact O-N 3.44Å; I366-S368 VanDerWaalsContact O-N 3.09Å; S368-S370 PolarHBondContact O-N 3.32Å; S368-S370 VanDerWaalsContact O-N 3.14Å
369Y30Very low30.6Very low214 Ų214137.7 Ų137.784%0.83979%0.793SS**  trans-70104.5171.4-64.1-89.3000109.9P367 S371P367-Y369 PolarHBondContact O-N 2.99Å; Y369-S371 PolarHBondContact O-N 2.83Å
370S27.3Very low31Very low116 Ų116132.5 Ų132.581%0.81179%0.79SS**  trans-80.1106.5165.1-71.80000109.5S368 S372S368-S370 PolarHBondContact O-N 3.32Å; S368-S370 VanDerWaalsContact O-N 3.14Å; S370-S372 PolarHBondContact O-N 3.39Å; S370-S372 VanDerWaalsContact O-N 3.11Å
371S31.2Very low31Very low121 Ų121128.2 Ų128.285%0.84679%0.791SS**  trans-65.4104.2176.6-55.80000111.6Y369Y369-S371 PolarHBondContact O-N 2.83Å
372S30.7Very low31.4Very low118 Ų118128.2 Ų128.283%0.82579%0.786SS**  trans-136.6112.2161.4-79.20000109.2S370S370-S372 PolarHBondContact O-N 3.39Å; S370-S372 VanDerWaalsContact O-N 3.11Å
373S32.8Very low31.3Very low126 Ų126128.7 Ų128.788%0.88178%0.784SS**  trans-78.1125.1-171.551.90000113.3
374S32.8Very low31.5Very low116 Ų116130.8 Ų130.881%0.81179%0.787SS**  trans-148.1131148.552.10000110
375N35.8Very low31.6Very low174 Ų174132.4 Ų132.493%0.9378%0.784SS**  trans-82.8117.8-173.7-75.7-46.6000111.4
376A31.4Very low31.5Very low87 Ų87131.2 Ų131.272%0.71979%0.787SS**  trans-156.5111.4159.100000111.2
377Y31.3Very low31.7Very low220 Ų220131 Ų13186%0.86379%0.792SS**  trans38130.2161.1-62.7-85.4000121.2S379Y377-S379 PolarHBondContact O-N 3.01Å
378P35.9Very low32Very low132 Ų132129.9 Ų129.986%0.85780%0.797SS**  trans-75.696.3177.332.3-34.4000111.9
379S30.3Very low32.7Very low117 Ų117133.3 Ų133.382%0.81881%0.807SS**  trans-70.1126.1161.2-74.20000109.8Y377 G381Y377-S379 PolarHBondContact O-N 3.01Å; S379-G381 PolarHBondContact O-N 2.82Å
380S35.8Very low33Very low116 Ų116126.1 Ų126.181%0.81180%0.798SS**  trans-64.2100.5-175.953.50000112.4V382S380-V382 PolarHBondContact O-N 3.33Å
381G32.7Very low33.3Very low70 Ų70124.8 Ų124.872%0.72280%0.802SS**  trans-71.1113.2171.900000111.4S379 V383S379-G381 PolarHBondContact O-N 2.82Å; G381-V383 PolarHBondContact O-N 3.39Å
382V37.5Very low33.5Very low105 Ų105125.9 Ų125.964%0.63680%0.803SS**  trans-74.7112175-179.60000109.3S380 F384S380-V382 PolarHBondContact O-N 3.33Å; V382-F384 HydrophobicContact CB-CD2 4.48Å; V382-F384 HydrophobicContact CB-CE2 3.99Å; V382-F384 HydrophobicContact CG1-CD2 4.02Å; V382-F384 HydrophobicContact CG1-CE1 4.31Å; V382-F384 HydrophobicContact CG1-CE2 3.62Å; V382-F384 HydrophobicContact CG1-CZ 3.79Å; V382-F384 PolarHBondContact O-N 2.98Å
383V28.9Very low33.6Very low119 Ų119128.4 Ų128.472%0.72180%0.802SS**  trans-76.1109.7171.7177.10000108.7G381 Q385G381-V383 PolarHBondContact O-N 3.39Å; V383-Q385 PolarHBondContact O-N 2.83Å
384F31.9Very low33.6Very low181 Ų181128.1 Ų128.179%0.79480%0.797SS**  trans-8699.9171-73.9-83.8000110.4V382V382-F384 HydrophobicContact CB-CD2 4.48Å; V382-F384 HydrophobicContact CB-CE2 3.99Å; V382-F384 HydrophobicContact CG1-CD2 4.02Å; V382-F384 HydrophobicContact CG1-CE1 4.31Å; V382-F384 HydrophobicContact CG1-CE2 3.62Å; V382-F384 HydrophobicContact CG1-CZ 3.79Å; V382-F384 PolarHBondContact O-N 2.98Å
385Q31Very low33.5Very low153 Ų153128.3 Ų128.372%0.71580%0.797SS**  trans-71.6132.8158.5-110.4109.112.200109.2V383 V387V383-Q385 PolarHBondContact O-N 2.83Å; Q385-V387 PolarHBondContact O-N 2.98Å
386P29.5Very low33.3Very low132 Ų132123.7 Ų123.786%0.85779%0.791SS**  trans-7597.2174.330.1-33.1000110.2
387V35.3Very low33.5Very low134 Ų134126.5 Ų126.581%0.81280%0.798SS**  trans-83.5139162.5-70.60000109.8Q385Q385-V387 PolarHBondContact O-N 2.98Å
388G33.4Very low33.4Very low68 Ų68119.2 Ų119.270%0.70179%0.79SS**  trans-67.5163.8-17600000113.9G390G388-G390 PolarHBondContact O-N 3.43Å; G388-G390 VanDerWaalsContact O-N 3.11Å
389N41.5Very low33.6Very low181 Ų181119 Ų11997%0.96879%0.792SS**SBendtrans-30104.9-175.9-63.414.1000115.7
390G35.8Very low33.6Very low63 Ų63125.6 Ų125.665%0.64980%0.799SS**  trans-160.7111.3166.100000108.8G388G388-G390 PolarHBondContact O-N 3.43Å; G388-G390 VanDerWaalsContact O-N 3.11Å
391G33.8Very low33.2Very low87 Ų87123.4 Ų123.490%0.89780%0.795SS**  trans-70.1143.1-177.200000111.9
392V35.2Very low33.8Very low144 Ų144125.7 Ų125.787%0.87380%0.796SS**  trans-130.3130.6172.8-142.30000110.1
393Q32.2Very low33.3Very low172 Ų172126.4 Ų126.480%0.80481%0.805SS**  trans-77.9136.3-174.8-177.7-179.5-54.800111.2C395Q393-C395 PolarHBondContact O-N 3.01Å
394P33.8Very low33.2Very low119 Ų119126.4 Ų126.477%0.77381%0.81SS**  trans-78.6120.9178.129.8-32.8000111.8G396P394-G396 PolarHBondContact O-N 3.3Å
395C30.1Very low33Very low121 Ų121121.6 Ų121.682%0.81881%0.812SS**  trans-76.1105.8163.1-76.40000109.8Q393 V397Q393-C395 PolarHBondContact O-N 3.01Å; C395-V397 PolarHBondContact O-N 2.86Å
396G32.8Very low32.9Very low77 Ų77119.8 Ų119.879%0.79482%0.816SS**  trans-75.3119.616900000111P394 G398P394-G396 PolarHBondContact O-N 3.3Å; G396-G398 PolarHBondContact O-N 2.96Å
397V34.4Very low32.6Very low145 Ų145124.8 Ų124.888%0.87982%0.817SS**  trans-90.2102.2171.4-174.90000108.5C395C395-V397 PolarHBondContact O-N 2.86Å
398G30.4Very low32.4Very low68 Ų68125.3 Ų125.370%0.70181%0.814SS**  trans-79.5161.5-17800000114.5G396G396-G398 PolarHBondContact O-N 2.96Å
399S38.6Very low32Very low126 Ų126130.2 Ų130.288%0.88182%0.819SS**  trans-69.2127.1-177.5-38.70000113.5
400R32.1Very low31.4Very low257 Ų257129.4 Ų129.497%0.9781%0.813SS**  trans-150.4135.8154.4-78.6-163.4177.8-178.6-0.4111.9
401G27.6Very low30.9Very low70 Ų70131.8 Ų131.872%0.72282%0.815SS**  trans-138.2-169.6147.200000107.7
402P44.8Very low30.5Very low117 Ų117132.9 Ų132.976%0.7681%0.809SS**  cis-123.5-169.4-16.538.8-22.8000112.3
403C25.6Very low30Very low120 Ų120131 Ų13181%0.81180%0.802SS**  trans70.7145.2169.7-56.70000116.4
404S27.6Very low29.7Very low120 Ų120127.9 Ų127.984%0.83980%0.799SS**  cis-155.7149.2-6.3-100.20000109.7
405G28.5Very low29.4Very low80 Ų80128.9 Ų128.983%0.82580%0.804SS**  trans17496.4175.600000112.3
406S27.9Very low29.5Very low114 Ų114127.3 Ų127.380%0.79779%0.794SS**  trans-91.3151.7-167.1-53.20000114.9
407R24.1Very low29.3Very low237 Ų237133.1 Ų133.189%0.89480%0.798SS**  trans71.1143.1164.2-111.5-167.8-90.3-105.34114.5
408I29.7Very low29.2Very low145 Ų145134.9 Ų134.974%0.74480%0.796SS**  cis-133.4142.519.3-65.2179.6000111.3
409Q26.4Very low29.7Very low171 Ų171137 Ų13780%0.79980%0.798SS**  trans-82.2142.5166.4-68.4176.1-5200111
410I28.2Very low29.1Very low164 Ų164137.4 Ų137.484%0.84180%0.799SS**  trans-132.6107.9150.4-54.6-179.5000108.7
411T24.4Very low28.8Very low114 Ų114129.2 Ų129.270%0.69980%0.795SS**  trans-100.6126.2165.841.90000109.7
412S25.7Very low28.8Very low110 Ų110129.4 Ų129.477%0.76980%0.796SS**  trans178.3122.4145.7-81.70000108
413S25.5Very low27.9Very low103 Ų103128.2 Ų128.272%0.7280%0.797SS**  78.299.568.3-60.10000113.6
414S25.3Very low28.2Very low107 Ų107129.8 Ų129.875%0.74880%0.797SS**  trans77.6148.4139.4-48.50000121.2
415T27.3Very low28.4Very low141 Ų141133 Ų13387%0.86580%0.799SS**  trans90.1147.8158.470.70000120
416S32.9Very low28.4Very low88 Ų88132.5 Ų132.562%0.61579%0.793SS**  trans-78.6-178.2-169.945.30000114.8
417F28.4Very low28.9Very low198 Ų198133 Ų13387%0.86879%0.794SS**  trans95.8104.8168.6-57.9-77000117.5
418Q31.9Very low29Very low183 Ų183127.3 Ų127.386%0.85579%0.789SS**  trans-69.6159.2139.8-78.3-178.1-64.900108.5
419P41.2Very low29.1Very low112 Ų112126.1 Ų126.173%0.72779%0.794SS**  cis-154.5-178.443.844.1-22.6000119.6
420C26.3Very low30.5Very low134 Ų134123.6 Ų123.691%0.90579%0.792SS**  trans64.4134.3146.5-74.10000124.2
421G25.5Very low30.8Very low86 Ų86121.9 Ų121.989%0.88779%0.792SS**  trans114.5124.1146.400000115.7
422G26.9Very low31Very low73 Ų73119.9 Ų119.975%0.75379%0.793SS**  cis160.6164.3-6.200000111.6
423A27.6Very low31.7Very low93 Ų93121.2 Ų121.277%0.76980%0.8SS**  trans64.9145.5169.100000117.6
424N30.8Very low31.7Very low153 Ų153120.2 Ų120.282%0.81881%0.806SS**  cis-160.5171.1-2.1-113.7-15.5000111.6
425Q31.7Very low31.9Very low188 Ų188120.5 Ų120.588%0.87981%0.807SS**  trans95.196.2165.8-52-160.284.300119
426G28.6Very low31.9Very low68 Ų68122.2 Ų122.270%0.70181%0.809SS**  trans-81.6-160.8135.400000110.2
427P39.4Very low31.8Very low125 Ų125123.1 Ų123.181%0.81282%0.816SS**  cis-120.6-170.319.628.7-4.2000111.4
428C26Very low31.9Very low118 Ų118122.4 Ų122.480%0.79782%0.819SS**  cis-153.5166.332.5-70.30000111.8
429S31.4Very low31.6Very low120 Ų120117 Ų11784%0.83981%0.813SS**  trans-101.2-172.2175.9-35.20000111.7
430P56.2Low30.9Very low118 Ų118115.7 Ų115.777%0.76682%0.82SS**  trans-112.6-176-135.343.1-29.5000115.3
431P34.2Very low30.9Very low128 Ų128112.9 Ų112.983%0.83181%0.813SS**  trans-135.8147.9139.234.7-20.6000114.2
432G27.8Very low31.1Very low71 Ų71114.2 Ų114.273%0.73281%0.809SS**  trans-106.2-148.1157.700000109.5
433P40.7Very low31.4Very low139 Ų139116.1 Ų116.190%0.90381%0.81SS**  cis-113.9168-35.938.4-26.8000111.3
434G26.6Very low31.8Very low82 Ų82117.2 Ų117.285%0.84581%0.813SS**  trans-147.9108.417600000112.6
435S29.5Very low31.9Very low112 Ų112117.6 Ų117.678%0.78381%0.814SS**  trans-107134-175.553.80000112.6
436I27.2Very low31.8Very low177 Ų177114.6 Ų114.691%0.90881%0.814SS**  trans-135.6123.9159-43.3175.9000107.5
437S30Very low32Very low107 Ų107117.4 Ų117.475%0.74882%0.817SS**  trans-127.4121.9-177.6-62.10000110.8
438I29.7Very low31.5Very low183 Ų183115.1 Ų115.194%0.93882%0.816SS**  trans-156.8131.3143.6-54.5-171.2000106.2
439G26.4Very low32Very low70 Ų70119.7 Ų119.772%0.72282%0.822SS**  cis176162-6.100000112.4
440G25.6Very low32Very low85 Ų85121.9 Ų121.988%0.87682%0.823SS**  trans70.3118.5170.400000116.2
441G26.3Very low30.9Very low74 Ų74122 Ų12276%0.76382%0.822SS**  cis103.3132.125.200000109.4
442S31.2Very low30.8Very low115 Ų115124.5 Ų124.580%0.80483%0.827SS**  cis-154.3147.72.8-59.40000107.3
443S32.8Very low31.1Very low112 Ų112129.3 Ų129.378%0.78383%0.83SS**  150.6161.385.158.10000106.8
444S35.3Very low30.9Very low117 Ų117128.6 Ų128.682%0.81883%0.825SS**  cis-144171.8-4.9-100.10000108.5
445L32.5Very low31Very low160 Ų160131 Ų13184%0.83883%0.828SS**  trans-98.8153.9178.6-63.387.2000112.8
446S30.1Very low30.9Very low126 Ų126128.9 Ų128.988%0.88182%0.824SS**  trans-150.2133.3133.1-1660000111.2
447T32.4Very low31.1Very low127 Ų127125.7 Ų125.778%0.77982%0.817SS**  trans-100.5143.3-170.2410000113
448G29.4Very low31.1Very low76 Ų76129.9 Ų129.978%0.78482%0.822SS**  trans-173.6103.7166.100000113.8
449K36.1Very low31.2Very low214 Ų214126 Ų12693%0.9381%0.812SS**  trans-72.8132.4166.1-79.1-176.5174.7-179.40109.4
450I32.9Very low31.4Very low167 Ų167131 Ų13186%0.85682%0.819SS**  trans-134.5137158.3-59.1-176.7000109.9
451V32.4Very low31.9Very low121 Ų121132.4 Ų132.473%0.73382%0.816SS**  trans-78.3137.4179.7174.60000110.1Q453V451-Q453 PolarHBondContact O-N 3.13Å
452L32.5Very low32.2Very low179 Ų179133.5 Ų133.594%0.93782%0.818SS**  trans-84.7110.2168-73.6170.9000109.9
453Q32.7Very low32.3Very low173 Ų173131.8 Ų131.881%0.80882%0.819SS**  trans-127132.6168.4-170.9167-13.700109V451V451-Q453 PolarHBondContact O-N 3.13Å
454P37.6Very low32.3Very low123 Ų123137.6 Ų137.680%0.79983%0.825SS**  trans-90121.5-169.733.1-33.3000113.2
455C28.5Very low32.5Very low133 Ų133137.7 Ų137.790%0.89982%0.823SS**  trans-143.6147.7155.8-81.40000106
456G26.8Very low32.3Very low67 Ų67135 Ų13569%0.69182%0.816SS**  cis128.592.31400000109.6
457S30.9Very low32.2Very low111 Ų111137.4 Ų137.478%0.77682%0.818SS**  trans67.1129152.6-540000120.9
458K30.7Very low32Very low194 Ų194136.5 Ų136.584%0.84382%0.817SS**  trans85.198.9151.7-58.8166-172-177.30120.6
459S32.6Very low32Very low103 Ų103137.6 Ų137.672%0.7282%0.819SS**  36.9125.9125.6620000122.7
460I30.9Very low31.5Very low173 Ų173133 Ų13389%0.88781%0.813SS**  179.9161.6111.1-89.6158.5000111.2
461S34.6Very low31.3Very low115 Ų115130 Ų13080%0.80481%0.808SS**  trans-88.2149-166.9-178.10000115.8
462A34.3Very low31.1Very low98 Ų98129.7 Ų129.781%0.8181%0.811SS**  172140.212300000113.4
463G31.4Very low31.1Very low79 Ų79126.1 Ų126.181%0.81481%0.807SS**  trans94.2104.2156.200000118.9
464Y32.8Very low31.1Very low233 Ų233125.2 Ų125.291%0.91481%0.807SS**  trans-96.8168.6149.8-75.6-76000108.4
465P41Very low30.9Very low119 Ų119126.6 Ų126.677%0.77381%0.808SS**  cis-124.9-159.21242.8-23.8000111.2
466C27Very low31Very low103 Ų103124.3 Ų124.370%0.69681%0.807SS**  cis-157.7143.84.1-157.70000111
467L29.3Very low31.2Very low177 Ų177124.7 Ų124.793%0.92781%0.81SS**  trans-144.5127.2157.4-83.1-179.2000111.5
468S27.9Very low31.2Very low109 Ų109127.8 Ų127.876%0.76282%0.817SS**  trans-76.8143.6-174-54.10000113
469A28.5Very low31.5Very low98 Ų98126.5 Ų126.581%0.8182%0.82SS**  trans-78.1138158.500000110.2
470S25.9Very low31.3Very low117 Ų117125 Ų12582%0.81882%0.82SS**  trans-142.899.4158.8-76.30000110.1
471S28.4Very low31.3Very low106 Ų106122.6 Ų122.674%0.74182%0.819SS**  trans-61.5151.9142.748.70000108.1
472S29.5Very low31.6Very low114 Ų114123.3 Ų123.380%0.79782%0.82SS**  -171.9-177.764-53.70000111.5
473A30.8Very low31.3Very low104 Ų104128 Ų12886%0.8683%0.826SS**  trans-79.7-174.1-170.100000116.8
474L33.4Very low31.4Very low153 Ų153135.9 Ų135.980%0.80183%0.831SS**  trans-65.5157.9-169.2-74.8150.4000118.4
475N33Very low31.2Very low153 Ų153131.3 Ų131.382%0.81883%0.827SS**  trans83137.8145.1-69.6-17.8000122.5
476G30.8Very low30.7Very low85 Ų85131.3 Ų131.388%0.87683%0.825SS**  trans100.1108.4148.600000115.9
477G30.6Very low31Very low74 Ų74132.6 Ų132.676%0.76383%0.83SS**  trans-105.6170.3175.200000113.8
478L32.4Very low31.3Very low176 Ų176130.4 Ų130.492%0.92182%0.824SS**  trans-176.1158.3137.2-97.2168000110.9
479N35.5Very low31.8Very low168 Ų168132.3 Ų132.390%0.89882%0.824SS**  trans-49.8152.2-171.2-81.6-34.4000118.1
480G30Very low32.1Very low71 Ų71132.1 Ų132.173%0.73282%0.822SS**  trans151.384.4144.900000119.5
481S29.6Very low32.6Very low123 Ų123135.6 Ų135.686%0.8682%0.823SS**  trans54.3144.8151.4-61.10000122.5
482P42Very low33Very low129 Ų129136.7 Ų136.784%0.83883%0.827SS**  trans-95.2140.8178.136.5-32.5000113.5
483Q27.3Very low33.5Very low198 Ų198137.4 Ų137.493%0.92583%0.831SS**  trans-141.2130.2163.5-134.7174.210.200111.4
484R34.6Very low33.9Very low243 Ų243136.3 Ų136.392%0.91783%0.829SS**  trans-76.1138.3-178.5-56.8177.2-173.4171.31110.9
485V26.9Very low34.4Very low138 Ų138136.8 Ų136.884%0.83683%0.832SS**  trans-140.4111.5144.9-171.60000111.3
486T31.3Very low35Very low118 Ų118136.4 Ų136.472%0.72483%0.83SS**  trans27.3110.9145.4-40.80000120.7V488T486-V488 PolarHBondContact O-N 3.46Å
487T33Very low35.3Very low131 Ų131137.6 Ų137.680%0.80482%0.824SS**  trans-59.7123.4162.1-45.10000112
488V35.8Very low35.8Very low131 Ų131140.7 Ų140.779%0.79483%0.831SS**  trans-109.4117.5166.6179.40000109.3T486T486-V488 PolarHBondContact O-N 3.46Å
489I37.5Very low36.9Very low149 Ų149135.9 Ų135.976%0.76482%0.824SS**PPolyproline II helixtrans-80.5117-177.8-62.9165.4000109.3
490A35.3Very low37.4Very low94 Ų94139.7 Ų139.778%0.77783%0.826SS**PPolyproline II helixtrans-86.2118.3171.700000110.7
491K36.2Very low38.3Very low190 Ų190144.5 Ų144.583%0.82683%0.831SS**PPolyproline II helixtrans-70.4133.8170.6-82.7178.4172.6175.80110.3
492P38.2Very low38.8Very low129 Ų129144 Ų14484%0.83883%0.825SS**PPolyproline II helixtrans-73.9146.8169.230.6-33.4000111.3
493C39.1Very low38.7Very low129 Ų129144.1 Ų144.187%0.87283%0.828SS**  trans-116.1133.2173.9-60.20000109.7
494G40.5Very low39.7Very low80 Ų80143.4 Ų143.483%0.82582%0.817SS**SBendtrans125.4137.617100000114.4
495L42.4Very low40.1Very low164 Ų164135 Ų13586%0.85980%0.795SS**SBendtrans-79127.7-177.7-80.9149.6000112.4
496N46.8Very low41.3Very low145 Ų145134.9 Ų134.978%0.77579%0.789SS**SBendtrans45.481.7151.3-60.4-17.6000118.6
497S37.1Very low42.1Very low109 Ų109139.3 Ų139.376%0.76279%0.792SS**  trans-158.7132.6148.8-79.20000110.4G499S497-G499 PolarHBondContact O-N 2.89Å
498P41.1Very low42.6Very low139 Ų139137.5 Ų137.590%0.90378%0.777SS**SBendtrans-76.3122.8179.730.3-32.8000111.2
499G55.8Low43.1Very low76 Ų76136.5 Ų136.578%0.78477%0.767SS**  trans107.162.5166.800000116.7S497S497-G499 PolarHBondContact O-N 2.89Å
500R45.6Very low43.4Very low247 Ų247135.9 Ų135.993%0.93276%0.764SS**  trans-131145.2159.8-72.6-166.3-176.3-131.11.2112.5
501M47.7Very low44Very low172 Ų172135.4 Ų135.485%0.84776%0.76SS**  trans-59.9153.6179-64.6-68.9-175.600112.2
502P41Very low44.4Very low112 Ų112134 Ų13473%0.72776%0.757SS**  trans-61.5138.7171.527.1-34.7000110.9R504P502-R504 PolarHBondContact O-N 3.45Å
503C40.7Very low44.7Very low133 Ų133133.2 Ų133.290%0.89975%0.749SS**  trans-64.793.8178.6-60.90000111.1S505C503-S505 PolarHBondContact O-N 3.01Å
504R47.7Very low45.2Very low182 Ų182135.9 Ų135.969%0.68775%0.746SS**  trans-71125.5163.9-74.8-166.6174.9-160.8-1109.1P502P502-R504 PolarHBondContact O-N 3.45Å
505S43.5Very low45.5Very low67 Ų67136.9 Ų136.947%0.46974%0.738SS.*  trans-60.7137.7171.3-178.80000109.4C503 R507 D508C503-S505 PolarHBondContact O-N 3.01Å; S505-R507 PolarHBondContact O-N 3.03Å; S505-D508 PolarHBondContact O-N 3.09Å
506I51.4Low45.5Very low136 Ų136137.8 Ų137.870%0.69774%0.743SS**Hα-helixtrans-56.1-22.1177.7-70.7168.5000111.6D508 I509I506-D508 VanDerWaalsContact C-N 3.35Å; I506-D508 PolarHBondContact O-N 3.15Å; I506-I509 PolarHBondContact O-N 3.11Å
507R47.5Very low45.4Very low210 Ų210133.4 Ų133.479%0.79273%0.731SS**Hα-helixtrans-65.1-28.2175.1-66.5-169.8174.1-164-2.2114.5S505S505-R507 PolarHBondContact O-N 3.03Å
508D44.3Very low45.7Very low93 Ų93134.4 Ų134.450%0.49774%0.735SS.*Hα-helixtrans-76.3-26.4179.9-77-26.6000113.1S505 I506 A511S505-D508 PolarHBondContact O-N 3.09Å; I506-D508 VanDerWaalsContact C-N 3.35Å; I506-D508 PolarHBondContact O-N 3.15Å; D508-A511 PolarHBondContact O-N 3.14Å
509I46.4Very low45.8Very low111 Ų111136.3 Ų136.357%0.56973%0.732SS**Hα-helixtrans-73.7-32.5-179-58.8177.8000110.5I506 A511I506-I509 PolarHBondContact O-N 3.11Å; I509-A511 VanDerWaalsContact C-N 3.32Å; I509-A511 PolarHBondContact O-N 2.9Å
510L43.8Very low45Very low135 Ų135141 Ų14171%0.70774%0.738SS**Hα-helixtrans-72.9-20.5176.9-80.1152000113.6
511A46.4Very low44.9Very low85 Ų85133.7 Ų133.770%0.70273%0.731SS**THydrogen-bonded Turntrans-81.1-14.1-178.500000114.4D508 I509D508-A511 PolarHBondContact O-N 3.14Å; I509-A511 VanDerWaalsContact C-N 3.32Å; I509-A511 PolarHBondContact O-N 2.9Å
512Q46.3Very low44.5Very low161 Ų161132.6 Ų132.675%0.75273%0.728SS**SBendtrans-101.9-3.7-177.9-63.4-168.9-5.800114.1K514Q512-K514 PolarHBondContact O-N 3.38Å
513V43.8Very low44.5Very low111 Ų111132.5 Ų132.567%0.67373%0.728SS**  trans-88.192.1175-171.80000109.5
514K49.4Very low44.3Very low185 Ų185134.5 Ų134.580%0.80472%0.724SS**  trans-62.4122.4171.6-162.4176.5-171.4178.30108.7Q512 L516Q512-K514 PolarHBondContact O-N 3.38Å; K514-L516 PolarHBondContact O-N 3.27Å
515P45.9Very low43.8Very low101 Ų101131.7 Ų131.766%0.65673%0.727SS**  trans-66.8120.6-175.524.9-32.9000110.8G517P515-G517 PolarHBondContact O-N 2.86Å
516L42.2Very low43.4Very low184 Ų184138.3 Ų138.396%0.96375%0.748SS**  trans-90.591.8173.4-73169.9000109.3K514K514-L516 PolarHBondContact O-N 3.27Å
517G46.4Very low43.1Very low52 Ų52138.6 Ų138.654%0.53675%0.75SS.*SBendtrans146.5151.6171.700000112.9P515 Q519P515-G517 PolarHBondContact O-N 2.86Å; G517-Q519 PolarHBondContact O-N 3.49Å
518P42.2Very low42.7Very low130 Ų130133.9 Ų133.984%0.84475%0.746SS**PPolyproline II helixtrans-62.8132.6172.527.7-33.3000109.6L520P518-L520 PolarHBondContact O-N 3.45Å
519Q43Very low42.6Very low180 Ų180135.7 Ų135.784%0.84176%0.763SS**PPolyproline II helixtrans-63.7119.3171-73.6-177.6-14.900108.7G517 A521G517-Q519 PolarHBondContact O-N 3.49Å; Q519-A521 PolarHBondContact O-N 2.93Å
520L39.6Very low42.2Very low174 Ų174134 Ų13491%0.91177%0.773SS**PPolyproline II helixtrans-59.2127.2165.3-77162.7000107.8P518P518-L520 PolarHBondContact O-N 3.45Å
521A44.6Very low41.9Very low94 Ų94136.4 Ų136.478%0.77778%0.781SS**PPolyproline II helixtrans-60.3142.8176.900000110.3Q519Q519-A521 PolarHBondContact O-N 2.93Å
522D37.3Very low41.7Very low148 Ų148138.1 Ų138.179%0.79179%0.785SS**PPolyproline II helixtrans-53.3122.3-179.9-160.413.6000110.4Q524D522-Q524 PolarHBondContact O-N 2.9Å
523P41.7Very low41.4Very low110 Ų110138.7 Ų138.771%0.71479%0.792SS**  trans-68.2106.617727.3-32.3000108.5V525P523-V525 PolarHBondContact O-N 3.06Å
524Q36.5Very low41.3Very low175 Ų175140.5 Ų140.582%0.81880%0.798SS**  trans-47.6131.2172.6-76.8-170.91.300110D522 F526D522-Q524 PolarHBondContact O-N 2.9Å; Q524-F526 PolarHBondContact O-N 2.93Å
525V36.8Very low41.1Very low124 Ų124141.1 Ų141.175%0.75280%0.801SS**  trans-47.3115.7173.8175.40000109P523 L527P523-V525 PolarHBondContact O-N 3.06Å; V525-L527 VanDerWaalsContact C-N 3.28Å; V525-L527 PolarHBondContact O-N 3.5Å
526F35.1Very low41.6Very low205 Ų205145.6 Ų145.690%0.89983%0.829SS**  trans-63.990.4171.2-94.5-95.4000109.2Q524Q524-F526 PolarHBondContact O-N 2.93Å
527L45.8Very low41.6Very low142 Ų142143.7 Ų143.774%0.74382%0.823SS**PPolyproline II helixtrans-72.1131.8160.6-69.1171.6000108V525V525-L527 VanDerWaalsContact C-N 3.28Å; V525-L527 PolarHBondContact O-N 3.5Å
528P39.3Very low41.3Very low111 Ų111148.5 Ų148.572%0.72184%0.838SS**PPolyproline II helixtrans-66.2141178.427.1-33.5000110.6
529P42.3Very low41.3Very low131 Ų131149.5 Ų149.585%0.85184%0.837SS**PPolyproline II helixtrans-63.9143.6178.826.6-33.9000111.3
530G38.6Very low41.2Very low75 Ų75147.7 Ų147.777%0.77384%0.837SS**PPolyproline II helixtrans-65.5146.1-16200000115.9
531Q36.7Very low41.3Very low186 Ų186146.1 Ų146.187%0.86983%0.833SS**PPolyproline II helixtrans-74.8140.3159.7-71.9175.8-26.300109.7L533Q531-L533 PolarHBondContact O-N 3.48Å
532P41.5Very low41.1Very low121 Ų121149.5 Ų149.579%0.78684%0.836SS**PPolyproline II helixtrans-67.9127.716728.7-32.1000109.8D534P532-D534 PolarHBondContact O-N 3.42Å
533L40.4Very low41.3Very low173 Ų173149.6 Ų149.691%0.90684%0.84SS**  trans-83.998.1172.6-104.6159.3000109.2Q531 K535Q531-L533 PolarHBondContact O-N 3.48Å; L533-K535 PolarHBondContact O-N 3.1Å
534D42.4Very low41.3Very low150 Ų150152.7 Ų152.780%0.80285%0.849SS**  trans-64.7128.1162.5-90.6-42.4000109.7P532P532-D534 PolarHBondContact O-N 3.42Å
535K44.5Very low41.7Very low198 Ų198150.8 Ų150.886%0.86185%0.852SS**  trans-88.9132.6166.8-83.5-175.4172.9-1770110.1L533L533-K535 PolarHBondContact O-N 3.1Å
536P57Low42.1Very low194 Ų194153.3 Ų153.3100%1.2686%0.861SS**  trans-81.40133.632.8-27.9000110.9

Retrieved 536 of 536 residues in 273 ms (Link to these results)