A0A5K4FDX2_SCHMA Loading...

Putative collagen alpha-1(V) chain

AlphaFold DB , UniProt , Accession A0A5K4FDX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,329 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.4Very low36.5Very low235 Ų235156.7 Ų156.7100%1.15880%0.802SS**  0158.60-68.4-177-177.400109.1
2R35.7Very low36.9Very low219 Ų219154 Ų15483%0.82681%0.805SS**  trans40.9118.8148.3-71.7-177176.3-175.7-0.3120.9
3I38.3Very low37.6Very low150 Ų150151 Ų15177%0.76980%0.797SS**  73148.3122.9-66.9168000119
4K35.6Very low38.1Very low171 Ų171152.5 Ų152.574%0.74379%0.794SS**  cis-179.4154-35.5-143.5-170.5171.6-1700107.9
5I41.5Very low38.8Very low131 Ų131153.7 Ų153.767%0.67279%0.786SS**  trans67.7120.5159.9-57.9156.6000117.5
6L37.7Very low39.7Very low164 Ų164153.3 Ų153.386%0.85978%0.779SS**  -163.6149.2113.3-105.4174000111.3
7C35.3Very low40.6Very low106 Ų106152.5 Ų152.572%0.71678%0.777SS**  trans-105.9153.8172.9-54.70000109.7
8N33Very low41.8Very low141 Ų141149.7 Ų149.775%0.75476%0.764SS**  175.4167.5124.6-99.6-59.9000113.5
9L40.1Very low43.3Very low160 Ų160147 Ų14784%0.83875%0.75SS**  trans65.5109.3174-53.8116.3000114.3
10S37.2Very low44.8Very low101 Ų101147.8 Ų147.871%0.70675%0.745SS**  cis80.5112.335.4-49.20000115.9
11N34.2Very low45.6Very low146 Ų146146 Ų14678%0.78174%0.737SS**  trans5486149.1-60.6-4.9000120.2
12C41.3Very low47.6Very low124 Ų124140 Ų14084%0.83871%0.709SS**SBendtrans173.1143.3130.4-98.60000110.4
13T46.2Very low49.5Very low115 Ų115134.1 Ų134.171%0.70669%0.693SS**  cis-125.228.6-2.950.70000112.8Y15T13-Y15 VanDerWaalsContact C-N 3.33Å; T13-Y15 PolarHBondContact O-N 2.99Å
14F43.9Very low51.2Low172 Ų172132 Ų13275%0.75468%0.682SS**  trans59.5-40.7163.6-130.5-95.1000121.2
15Y48.2Very low52.7Low171 Ų171128.4 Ų128.467%0.67167%0.671SS**SBendtrans-87.3-30.3-172.4-90.4-88.8000115.1T13 N17 L18T13-Y15 VanDerWaalsContact C-N 3.33Å; T13-Y15 PolarHBondContact O-N 2.99Å; Y15-N17 VanDerWaalsContact C-N 3.35Å; Y15-N17 PolarHBondContact O-N 3.22Å; Y15-L18 PolarHBondContact O-N 2.98Å
16H53.8Low54.3Low147 Ų147126.9 Ų126.968%0.68166%0.663SS**Hα-helixtrans-71.4-25.3-167.4-137.5-64.1000114.7
17N54.1Low55.9Low139 Ų139122.5 Ų122.574%0.74365%0.645SS**Hα-helixtrans-88.3-25.8174.4-79.7-40.1000113Y15 L21Y15-N17 VanDerWaalsContact C-N 3.35Å; Y15-N17 PolarHBondContact O-N 3.22Å; N17-L21 WeakPolarHBondContact O-CB 3.37Å; N17-L21 PolarHBondContact O-N 3.42Å
18L62.3Low57.5Low102 Ų102122.3 Ų122.353%0.53464%0.636SS.*Hα-helixtrans-68.6-40.7-175.4-164.168.8000111.5Y15 L22Y15-L18 PolarHBondContact O-N 2.98Å; L18-L22 PolarHBondContact O-N 3.43Å; L18-L22 VanDerWaalsContact O-N 3.16Å
19I71.8Confident58.9Low99 Ų99120.9 Ų120.951%0.50863%0.628SS.*Hα-helixtrans-72-41.7177.9-65.4170.6000111.4L21 L22 I23I19-L21 VanDerWaalsContact C-N 3.32Å; I19-L21 PolarHBondContact O-N 3.09Å; I19-L22 PolarHBondContact O-N 3.42Å; I19-I23 HydrophobicContact CG2-CD1 3.76Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 WeakPolarHBondContact O-CG1 3.42Å; I19-I23 PolarHBondContact O-N 3.4Å
20Y73.1Confident59.7Low163 Ų163117.7 Ų117.764%0.63962%0.618SS**Hα-helixtrans-62.6-38.7177.3-110.2-85.4000112.2L24Y20-L24 WeakPolarHBondContact O-CB 3.48Å; Y20-L24 PolarHBondContact O-N 3.48Å; Y20-L24 VanDerWaalsContact O-N 3.09Å
21L61.9Low60.5Low111 Ų111118.2 Ų118.258%0.58162%0.62SS**Hα-helixtrans-66.7-40175.2-160.474.8000111.8N17 I19 L24 L25N17-L21 WeakPolarHBondContact O-CB 3.37Å; N17-L21 PolarHBondContact O-N 3.42Å; I19-L21 VanDerWaalsContact C-N 3.32Å; I19-L21 PolarHBondContact O-N 3.09Å; L21-L24 PolarHBondContact O-N 3.01Å; L21-L25 HydrophobicContact CG-CD1 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.33Å; L21-L25 PolarHBondContact O-N 3.04Å
22L73.6Confident61.1Low109 Ų109116.5 Ų116.557%0.57162%0.615SS**Hα-helixtrans-63.5-45.2177.7-147.782.5000112.1L18 I19 L25 I26L18-L22 PolarHBondContact O-N 3.43Å; L18-L22 VanDerWaalsContact O-N 3.16Å; I19-L22 PolarHBondContact O-N 3.42Å; L22-L25 PolarHBondContact O-N 3.48Å; L22-I26 HydrophobicContact CD2-CD1 4.49Å; L22-I26 HydrophobicContact CG-CD1 4.33Å; L22-I26 WeakPolarHBondContact O-CG1 3.24Å; L22-I26 PolarHBondContact O-N 3.44Å
23I76.4Confident61.3Low94 Ų94116.4 Ų116.448%0.48261%0.61SS.*Hα-helixtrans-64-43.3178.3-67.9168.9000110.5I19 L25 I26 C27I19-I23 HydrophobicContact CG2-CD1 3.76Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 WeakPolarHBondContact O-CG1 3.42Å; I19-I23 PolarHBondContact O-N 3.4Å; I23-L25 PolarHBondContact O-N 3.26Å; I23-I26 PolarHBondContact O-N 3.1Å; I23-C27 PolarHBondContact O-N 3.19Å; I23-C27 PolarHBondContact O-SG 2.79Å; I23-C27 VanDerWaalsContact O-SG 3.42Å
24L74.1Confident60.9Low106 Ų106116.5 Ų116.556%0.55561%0.611SS**Hα-helixtrans-63.7-42.1178.3-149.882.5000111.9Y20 L21 C27 I28Y20-L24 WeakPolarHBondContact O-CB 3.48Å; Y20-L24 PolarHBondContact O-N 3.48Å; Y20-L24 VanDerWaalsContact O-N 3.09Å; L21-L24 PolarHBondContact O-N 3.01Å; L24-C27 PolarHBondContact O-N 3.12Å; L24-I28 HydrophobicContact CD2-CD1 4.2Å; L24-I28 HydrophobicContact CG-CD1 4.05Å; L24-I28 WeakPolarHBondContact O-CB 3.45Å; L24-I28 WeakPolarHBondContact O-CD1 3.45Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 3.32Å; L24-I28 PolarHBondContact O-N 3.27Å
25L68.2Low60.6Low96 Ų96115.9 Ų115.950%0.50362%0.615SS.*Hα-helixtrans-60.7-47.7175.7-97.1156000112.2L21 L22 I23 I28 L29L21-L25 HydrophobicContact CG-CD1 4.45Å; L21-L25 WeakPolarHBondContact O-CB 3.33Å; L21-L25 PolarHBondContact O-N 3.04Å; L22-L25 PolarHBondContact O-N 3.48Å; I23-L25 PolarHBondContact O-N 3.26Å; L25-I28 PolarHBondContact O-N 3.03Å; L25-L29 HydrophobicContact CD2-CD1 4.08Å; L25-L29 VanDerWaalsContact O-CD1 3.23Å; L25-L29 WeakPolarHBondContact O-CD1 3.46Å; L25-L29 PolarHBondContact O-N 3.25Å
26I74.7Confident60.3Low99 Ų99114.6 Ų114.651%0.50862%0.618SS.*Hα-helixtrans-63.9-44.2-179.9-67.6165000110.8L22 I23 I28 L29 C30L22-I26 HydrophobicContact CD2-CD1 4.49Å; L22-I26 HydrophobicContact CG-CD1 4.33Å; L22-I26 WeakPolarHBondContact O-CG1 3.24Å; L22-I26 PolarHBondContact O-N 3.44Å; I23-I26 PolarHBondContact O-N 3.1Å; I26-I28 PolarHBondContact O-N 3.31Å; I26-L29 PolarHBondContact O-N 3.26Å; I26-C30 PolarHBondContact O-N 3.41Å; I26-C30 PolarHBondContact O-SG 3.08Å
27C70.1Confident59.4Low71 Ų71113 Ų11348%0.4862%0.623SS.*Hα-helixtrans-62.2-39.9176-71.30000112.8I23 L24 C31I23-C27 PolarHBondContact O-N 3.19Å; I23-C27 PolarHBondContact O-SG 2.79Å; I23-C27 VanDerWaalsContact O-SG 3.42Å; L24-C27 PolarHBondContact O-N 3.12Å; C27-C31 WeakPolarHBondContact O-CB 3.23Å; C27-C31 PolarHBondContact O-N 3.27Å; C27-C31 VanDerWaalsContact O-N 3.1Å; C27-C31 PolarHBondContact O-SG 3.02Å
28I68.7Low58.4Low103 Ų103111.5 Ų111.553%0.52862%0.624SS.*Hα-helixtrans-70.5-38.2179.7-69.1166.6000111.8L24 L25 I26 T32L24-I28 HydrophobicContact CD2-CD1 4.2Å; L24-I28 HydrophobicContact CG-CD1 4.05Å; L24-I28 WeakPolarHBondContact O-CB 3.45Å; L24-I28 WeakPolarHBondContact O-CD1 3.45Å; L24-I28 VanDerWaalsContact O-CG1 3.24Å; L24-I28 WeakPolarHBondContact O-CG1 3.32Å; L24-I28 PolarHBondContact O-N 3.27Å; L25-I28 PolarHBondContact O-N 3.03Å; I26-I28 PolarHBondContact O-N 3.31Å; I28-T32 PolarHBondContact O-OG1 3.32Å
29L63.8Low57.3Low111 Ų111114.3 Ų114.358%0.58163%0.634SS**Hα-helixtrans-68.3-38.4175.4-92.581.5000112.5L25 I26 T32L25-L29 HydrophobicContact CD2-CD1 4.08Å; L25-L29 VanDerWaalsContact O-CD1 3.23Å; L25-L29 WeakPolarHBondContact O-CD1 3.46Å; L25-L29 PolarHBondContact O-N 3.25Å; I26-L29 PolarHBondContact O-N 3.26Å; L29-T32 PolarHBondContact O-OG1 3.06Å
30C56.2Low55.4Low92 Ų92120.6 Ų120.662%0.62265%0.651SS**Hα-helixtrans-75.6-29.9-179.7-69.60000113.5I26 T32I26-C30 PolarHBondContact O-N 3.41Å; I26-C30 PolarHBondContact O-SG 3.08Å; C30-T32 PolarHBondContact O-N 3.16Å
31C53.6Low53.6Low113 Ų113119.8 Ų119.876%0.76466%0.663SS**THydrogen-bonded Turntrans-75.34.1-178.7-76.20000115.4C27C27-C31 WeakPolarHBondContact O-CB 3.23Å; C27-C31 PolarHBondContact O-N 3.27Å; C27-C31 VanDerWaalsContact O-N 3.1Å; C27-C31 PolarHBondContact O-SG 3.02Å
32T46.2Very low52.2Low110 Ų110119.8 Ų119.868%0.67567%0.667SS**THydrogen-bonded Turntrans-122.6-4.4-168.948.10000116.5I28 L29 C30I28-T32 PolarHBondContact O-OG1 3.32Å; L29-T32 PolarHBondContact O-OG1 3.06Å; C30-T32 PolarHBondContact O-N 3.16Å
33V47.2Very low50.4Low121 Ų121126.2 Ų126.273%0.73368%0.684SS**SBendtrans-110-25.6-170.7-176.40000114.8
34T37.4Very low48.2Very low118 Ų118126.7 Ų126.772%0.72469%0.686SS**SBendtrans-139.392.4-178.154.30000114.1
35L37Very low46.2Very low159 Ų159133.5 Ų133.583%0.83271%0.705SS**  trans174.8141.1135.5-95.9161.2000113.7
36I42.3Very low44.6Very low144 Ų144135.8 Ų135.874%0.73871%0.707SS**  trans72.5100.7155.7-57157.5000118.9
37S34.9Very low42.6Very low113 Ų113140.2 Ų140.279%0.7973%0.725SS**  30134.1128.6-48.80000123.8
38S33.6Very low40.9Very low107 Ų107139.6 Ų139.675%0.74873%0.731SS**  trans103.5133.5136.9-140.60000120
39E37.9Very low39.3Very low162 Ų162143.1 Ų143.176%0.75775%0.751SS**  trans50.1109.8161-66.6-171.3116.500122.8
40R32.9Very low37.7Very low230 Ų230141.5 Ų141.587%0.86876%0.761SS**  37.1114.1129.5-62.1176.5173.2-178-1.4119
41V35.9Very low36.4Very low147 Ų147142.4 Ų142.489%0.89176%0.764SS**  -153.7147.8112.51520000108.9
42V31.5Very low35.4Very low110 Ų110144.2 Ų144.267%0.66777%0.765SS**  trans-77.3130.1-177.21740000112.9
43R35.6Very low34.5Very low245 Ų245145.3 Ų145.393%0.92577%0.767SS**  trans-161.3143.4133.6-114171.6-173175.43.4113.3
44I30.1Very low33.8Very low103 Ų103147.8 Ų147.853%0.52877%0.77SS.*  trans-86.3124.7-170-61.7165.3000111.4F1288I44-F1288 HydrophobicContact CG2-CE2 4.28Å; I44-F1288 HydrophobicContact CG2-CZ 3.97Å
45R32.8Very low33.3Very low249 Ų249147 Ų14794%0.9476%0.762SS**  trans-136.8137.6140.3-86.2-169171.4-176.9-2.6107.8
46R33.6Very low33.1Very low144 Ų144147.5 Ų147.554%0.54376%0.764SS.*  trans-118.5120.7-178.5-161.4179-175.9-171.3-1.1107.4F1288R46-F1288 HydrophobicContact CB-CE2 4.19Å; R46-F1288 HydrophobicContact CG-CD2 4.03Å; R46-F1288 HydrophobicContact CG-CE2 4.03Å
47Q33.9Very low32.4Very low192 Ų192145.8 Ų145.890%0.89776%0.764SS**  trans-154.5124.4177.5-171.1173.16.400109.1
48G34.6Very low32.3Very low58 Ų58143.8 Ų143.860%0.59876%0.755SS**  trans72.6143.3168.700000117.6
49D33.5Very low32.2Very low177 Ų177142.8 Ų142.895%0.94775%0.748SS**  cis-147.9155.4-13.1-76.3-55.1000108.4
50G30.8Very low32.1Very low78 Ų78138.3 Ų138.380%0.80475%0.745SS**  trans155.319178.400000118.8
51V29.1Very low32.2Very low110 Ų110130.3 Ų130.367%0.66773%0.734SS**  trans-137.2116.2170.8178.70000109.9D53V51-D53 HydrophobicContact CG1-CB 4.31Å
52L31.9Very low32.2Very low151 Ų151130.5 Ų130.579%0.79173%0.73SS**  trans-161130.2144-68.4-174000104.3
53D27.5Very low32.4Very low134 Ų134132.8 Ų132.872%0.71774%0.738SS**  cis54.274.40.7-11633.2000115V51V51-D53 HydrophobicContact CG1-CB 4.31Å
54E33.6Very low32.8Very low172 Ų172128.7 Ų128.780%0.80474%0.735SS**  trans-151.1131.3136.7-125.2173.3-173.100110.8
55D26.4Very low33Very low102 Ų102130.9 Ų130.955%0.54575%0.746SS.*  trans-70.6140.9157.9-73.2-68.3000108.4
56I32.1Very low33.3Very low170 Ų170125.1 Ų125.187%0.87274%0.741SS**  175140129.4-90.6154.8000110.6
57S27.9Very low33.2Very low107 Ų107126.3 Ų126.375%0.74875%0.753SS**  trans-89156.9-177-56.70000113.7
58A33.1Very low33.4Very low72 Ų72123.7 Ų123.760%0.59575%0.75SS**  trans69.7157.6142.700000119.8
59S32.2Very low33.4Very low86 Ų86126.9 Ų126.960%0.60176%0.758SS**  cis-169.2156.4-27.154.40000111.1P681S59-P681 WeakPolarHBondContact O-CD 3.07Å
60G34.7Very low33.7Very low67 Ų67123.3 Ų123.369%0.69175%0.745SS**  trans72.8155.3161.500000116.5
61G34.8Very low33.9Very low63 Ų63127.1 Ų127.165%0.64975%0.745SS**  cis-163-175.2-2.700000108.2
62D36.7Very low34.6Very low151 Ų151127 Ų12781%0.80775%0.747SS**  cis-155.9170.1-3.9-77-54.4000107.6
63D36.4Very low34.7Very low157 Ų157125.2 Ų125.284%0.8475%0.747SS**  -174.2150125.7-101.5-28.3000113.4
64D42.3Very low35.2Very low160 Ų160123.9 Ų123.986%0.85675%0.748SS**  trans65132169.9-77.8-40.7000122.4
65I34.5Very low35.3Very low149 Ų149121.5 Ų121.576%0.76475%0.745SS**  trans-128.8154.3175.2-29.2176.7000106.9
66P39.4Very low35.8Very low127 Ų127126.3 Ų126.383%0.82576%0.761SS**  -148.5120.6101.932.8-13.7000115.9
67E32.9Very low35.9Very low170 Ų170121.5 Ų121.579%0.79475%0.753SS**  trans9.2124.5133.4-171.4170.4-12600119.9
68T36.4Very low36.7Very low136 Ų136122.9 Ų122.983%0.83476%0.76SS**  -170.3153.5125-65.30000110
69T35.3Very low36.9Very low125 Ų125122.7 Ų122.777%0.76777%0.765SS**  trans-130.4175.5-173.740.90000111.4
70P39.2Very low37.7Very low103 Ų103124.2 Ų124.267%0.66977%0.772SS**  cis-140.9-172.6-2330.2-6.7000116.1
71I36.2Very low37.7Very low158 Ų158130.7 Ų130.781%0.8178%0.782SS**  trans68.1168160.2-0.1173000118.1
72P43Very low38Very low108 Ų108135.7 Ų135.770%0.70179%0.793SS**  -124171.2-106.742.7-27.5000116.1
73S35Very low38.2Very low113 Ų113137 Ų13779%0.7979%0.794SS**  trans171.7132.5130.9-83.70000116.3
74S37Very low38.8Very low106 Ų106135.4 Ų135.474%0.74179%0.793SS**  53.4112.9127.9-138.60000123.2
75V36.8Very low38.6Very low122 Ų122134.3 Ų134.374%0.73979%0.787SS**  74.6102.8128.4176.30000120.8
76K35.5Very low38.8Very low202 Ų202133.7 Ų133.788%0.87878%0.784SS**  77.3127.3129.4-155.3171.6-174.7177.30119.7
77G33.9Very low39Very low70 Ų70133.9 Ų133.972%0.72278%0.782SS**  trans-85.8-153.9178.600000115.1
78P44.7Very low39.4Very low135 Ų135131.8 Ų131.888%0.87778%0.781SS**  cis-129.1-177.323.941.6-25.1000115.8
79G38.1Very low39.6Very low68 Ų68128 Ų12870%0.70177%0.768SS**  trans-101.4-178.5-179.800000115.8
80P48.3Very low40Very low118 Ų118128.7 Ų128.777%0.76678%0.775SS**  -148.6147.9122.436.1-19.3000117.7
81F36.1Very low40.5Very low204 Ų204134.7 Ų134.790%0.89579%0.785SS**  trans38.3127146.4-75-92.6000123.8
82L39.4Very low41.4Very low167 Ų167130 Ų13087%0.87478%0.775SS**  -161.3139.7119.5-102.9179.8000112
83Q41.5Very low41.8Very low178 Ų178129.4 Ų129.483%0.83278%0.78SS**  trans-149.1142.6167-75.3-173.7-7.400108
84P49.4Very low42.9Very low125 Ų125129.5 Ų129.581%0.81278%0.777SS**  -156.4179.5115.637.3-18.9000116.1
85N38.7Very low44.1Very low137 Ų137127.7 Ų127.773%0.73378%0.775SS**  cis178.5179.3-39.7-160.80.9000109.4
86I38.3Very low45.1Very low136 Ų136130.6 Ų130.670%0.69778%0.781SS**  trans78.3139.2158.9-61.1151.2000113.9
87V43.1Very low46.3Very low131 Ų131127 Ų12779%0.79478%0.778SS**  cis-102.3-146.525.8-147.20000115.2
88T40.5Very low47.7Very low126 Ų126126.5 Ų126.577%0.77377%0.773SS**  trans-165.3148.7-159.7-63.90000111.9
89G41Very low48.6Very low55 Ų55125.8 Ų125.857%0.56777%0.768SS**  trans-119159.2159.800000110.5R91G89-R91 PolarHBondContact O-N 3.45Å; G89-R91 VanDerWaalsContact O-N 3.12Å
90P44.1Very low49.9Very low140 Ų140128.6 Ų128.691%0.90977%0.774SS**  trans-69.3111.4-162.126.5-34.7000113.6
91R50.4Low50.6Low230 Ų230125.8 Ų125.887%0.86877%0.767SS**PPolyproline II helixtrans-74.8131167.1-172.9177.1-178.9165.41109.1G89G89-R91 PolarHBondContact O-N 3.45Å; G89-R91 VanDerWaalsContact O-N 3.12Å
92G53.9Low51.7Low59 Ų59122.3 Ų122.361%0.60876%0.764SS**PPolyproline II helixtrans-60.7165.1172.300000112.4
93A52Low52.7Low96 Ų96119.9 Ų119.979%0.79376%0.761SS**PPolyproline II helixtrans-52.4136.1175.100000110.3G95A93-G95 PolarHBondContact O-N 3.03Å
94P58.8Low53.5Low115 Ų115114.1 Ų114.175%0.74775%0.75SS**PPolyproline II helixtrans-55.1129.8167.4-20.932.5000108.8
95G60.9Low53.8Low67 Ų67114.4 Ų114.469%0.69175%0.752SS**PPolyproline II helixtrans-57146.4165.300000109.1A93A93-G95 PolarHBondContact O-N 3.03Å
96E59.4Low54.9Low184 Ų184115.4 Ų115.486%0.8676%0.756SS**PPolyproline II helixtrans-52.4136.9174.5-64.1-171.813300109.4G98E96-G98 PolarHBondContact O-N 3.4Å
97P60.6Low55.9Low126 Ų126111.4 Ų111.482%0.81875%0.748SS**PPolyproline II helixtrans-54.1119.1172-23.733.7000108.6
98G63Low56.6Low59 Ų59111 Ų11161%0.60875%0.748SS**PPolyproline II helixtrans-51.7140.8175.100000109.4E96E96-G98 PolarHBondContact O-N 3.4Å
99P63.8Low57.6Low121 Ų121110.8 Ų110.879%0.78675%0.749SS**PPolyproline II helixtrans-52.3135.3-176.922.5-33.7000109G101P99-G101 PolarHBondContact O-N 3.5Å; P99-G101 VanDerWaalsContact O-N 3.07Å
100P64.6Low58.4Low126 Ų126111.6 Ų111.682%0.81876%0.757SS**PPolyproline II helixtrans-48.7122.6-176.6-29.835.2000110.4
101G62.4Low58.8Low60 Ų60115 Ų11562%0.61976%0.758SS**PPolyproline II helixtrans-51.7137.3177.900000109.1P99 S103P99-G101 PolarHBondContact O-N 3.5Å; P99-G101 VanDerWaalsContact O-N 3.07Å; G101-S103 PolarHBondContact O-N 3.01Å; G101-S103 VanDerWaalsContact O-N 3.11Å
102P59.6Low59.2Low130 Ų130112.4 Ų112.484%0.84476%0.757SS**PPolyproline II helixtrans-53.3124.7-173.322.6-33.8000109.1G104P102-G104 PolarHBondContact O-N 2.99Å
103S61.3Low59.4Low116 Ų116112.4 Ų112.481%0.81176%0.757SS**PPolyproline II helixtrans-46.9119.6-172.6-58.90000110.2G101G101-S103 PolarHBondContact O-N 3.01Å; G101-S103 VanDerWaalsContact O-N 3.11Å
104G57.7Low59.5Low58 Ų58116.8 Ų116.860%0.59876%0.762SS**PPolyproline II helixtrans-50.7139.9177.600000109.7P102 I106P102-G104 PolarHBondContact O-N 2.99Å; G104-I106 PolarHBondContact O-N 3.31Å; G104-I106 VanDerWaalsContact O-N 3.12Å
105P54.8Low59.5Low130 Ų130116.9 Ų116.984%0.84476%0.762SS**PPolyproline II helixtrans-53.6125.2-173.222.1-33.4000109.4G107P105-G107 PolarHBondContact O-N 3.22Å
106I62.6Low59.7Low159 Ų159116.6 Ų116.682%0.81576%0.759SS**PPolyproline II helixtrans-52120.1-178.4-67.6173.6000107.7G104G104-I106 PolarHBondContact O-N 3.31Å; G104-I106 VanDerWaalsContact O-N 3.12Å
107G59.1Low59.7Low52 Ų52113.7 Ų113.754%0.53676%0.756SS.*PPolyproline II helixtrans-52.7136.8-179.600000109.8P105P105-G107 PolarHBondContact O-N 3.22Å
108P57.9Low59.8Low122 Ų122113.7 Ų113.779%0.79276%0.756SS**PPolyproline II helixtrans-54.8130.2-171.721.9-33.3000109.8G110P108-G110 PolarHBondContact O-N 3.03Å
109P61.1Low59.8Low121 Ų121114 Ų11479%0.78676%0.759SS**PPolyproline II helixtrans-50.4135.2179-29.235.5000111.2K111P109-K111 PolarHBondContact O-N 3.17Å
110G59.1Low59.4Low73 Ų73114.5 Ų114.575%0.75376%0.763SS**PPolyproline II helixtrans-52.7137.7179.300000110.7P108 M112P108-G110 PolarHBondContact O-N 3.03Å; G110-M112 PolarHBondContact O-N 3.28Å
111K51.4Low59.1Low210 Ų210113.2 Ų113.291%0.91376%0.763SS**  trans-51.2113.2-175.7-68.8-174.1178.7-175.80110.1P109 G113P109-K111 PolarHBondContact O-N 3.17Å; K111-G113 PolarHBondContact O-N 3.27Å
112M58.5Low58.7Low176 Ų176113.6 Ų113.687%0.86777%0.767SS**PPolyproline II helixtrans-58.6129.7168.9-174.1167.665.600107.9G110G110-M112 PolarHBondContact O-N 3.28Å
113G58.9Low57.9Low59 Ų59117.1 Ų117.161%0.60877%0.771SS**PPolyproline II helixtrans-58.9145.6-178.500000111.4K111 P115K111-G113 PolarHBondContact O-N 3.27Å; G113-P115 WeakPolarHBondContact O-CD 3.1Å
114E54.2Low57.4Low188 Ų188119.4 Ų119.488%0.87978%0.775SS**PPolyproline II helixtrans-59.2128178.1-65.7-171.3132.400110.1G116E114-G116 PolarHBondContact O-N 3.07Å
115P59.4Low56.9Low118 Ų118120.2 Ų120.277%0.76678%0.783SS**PPolyproline II helixtrans-57.8130.9170.4-23.634.3000109.8G113G113-P115 WeakPolarHBondContact O-CD 3.1Å
116G64.8Low56.3Low60 Ų60119.5 Ų119.562%0.61979%0.788SS**PPolyproline II helixtrans-56.4146177.200000111.5E114E114-G116 PolarHBondContact O-N 3.07Å
117P59.2Low55.7Low123 Ų123124 Ų12480%0.79980%0.795SS**PPolyproline II helixtrans-57.7135.7-177.623.9-33.8000110.5G119P117-G119 PolarHBondContact O-N 3.11Å
118P63.2Low55.2Low127 Ų127124.6 Ų124.683%0.82580%0.801SS**PPolyproline II helixtrans-53.8136175.1-26.835.1000111.3
119G62.3Low54.7Low64 Ų64124.9 Ų124.966%0.6680%0.803SS**PPolyproline II helixtrans-60.3151.5176.500000111.7P117 A121P117-G119 PolarHBondContact O-N 3.11Å; G119-A121 PolarHBondContact O-N 3.33Å
120P56Low54.2Low133 Ų133125.2 Ų125.286%0.86481%0.805SS**PPolyproline II helixtrans-58.2133.9176.425.9-34.1000110.2
121A57.1Low53.6Low99 Ų99125.5 Ų125.582%0.81881%0.807SS**PPolyproline II helixtrans-64138.7177.300000110.6G119G119-A121 PolarHBondContact O-N 3.33Å
122G53.9Low53.6Low68 Ų68120.9 Ų120.970%0.70180%0.799SS**PPolyproline II helixtrans-68.9147.7-178.700000113.3D124G122-D124 PolarHBondContact O-N 3.11Å
123E42.9Very low53.1Low203 Ų203118 Ų11895%0.94980%0.796SS**  trans-81.1101.2173.4-63.9-173.2127.100110.7
124D51.3Low52.4Low165 Ų165119 Ų11988%0.88281%0.807SS**  trans-110.8109.2179.3-96.2-45.7000114.1G122G122-D124 PolarHBondContact O-N 3.11Å
125G48.1Very low51.8Low74 Ų74116.6 Ų116.676%0.76380%0.8SS**  trans54.994.5138.600000120.4R127G125-R127 PolarHBondContact O-N 3.32Å
126A41.7Very low51.5Low115 Ų115116.9 Ų116.995%0.9580%0.802SS**  trans-72.2108.6170.400000114
127R50.1Low50.6Low254 Ų254117.6 Ų117.696%0.95881%0.809SS**  trans-164.3136.3169-170.2180-173.9-176.62.1109.6G125G125-R127 PolarHBondContact O-N 3.32Å
128G48.2Very low49.9Very low65 Ų65118.7 Ų118.767%0.6781%0.806SS**  cis173.3129.6-8.500000109
129P48.1Very low48.7Very low128 Ų128120.4 Ų120.483%0.83181%0.809SS**  trans-90.1177.1-17538.1-38.1000112.7
130P50Low47.9Very low128 Ų128121 Ų12183%0.83182%0.816SS**  cis-129.8-164.8-1637.6-19.1000112.8
131G46.4Very low47.4Very low78 Ų78124.5 Ų124.580%0.80482%0.817SS**  trans-168.9108159.100000112.5
132P50.4Low47Very low114 Ų114126.3 Ų126.374%0.7482%0.821SS**  trans-111.8163.3-168.839.6-34.2000117.1
133S48.1Very low46.5Very low115 Ų115126.1 Ų126.180%0.80482%0.819SS**  trans76.3146.6155.2-690000120.9
134G44.6Very low46.3Very low80 Ų80124 Ų12483%0.82581%0.813SS**  trans176.943.2-176.700000113.8
135D42.7Very low45.7Very low138 Ų138123.3 Ų123.374%0.73881%0.809SS**  trans-84.1173.3174.2-45.3-86.3000111.4
136P52.4Low45.5Very low124 Ų124123.5 Ų123.581%0.80581%0.811SS**  cis-128.1-171.2-2531.1-10.6000112.3
137G45.1Very low45.3Very low75 Ų75126.9 Ų126.977%0.77381%0.808SS**  trans-154.9120.5161.700000112.1
138I45.1Very low44.9Very low145 Ų145120 Ų12074%0.74480%0.798SS**  trans-140.6144-178.248.5168.8000111.4
139D37.6Very low44.6Very low163 Ų163120.1 Ų120.187%0.87280%0.799SS**  trans149.1151.5135.3-81.8-18.5000113
140G46.7Very low44.1Very low78 Ų78122.9 Ų122.980%0.80481%0.806SS**  trans142.479.9173.200000115.9
141K44.6Very low44.1Very low206 Ų206128.3 Ų128.390%0.89681%0.81SS**  trans-110139.5157-69.2-177.3179.3179.70108.4
142P49.9Very low44.2Very low137 Ų137127.8 Ų127.889%0.8981%0.805SS**  -142-171.910332.4-14.1000112.9
143G42.2Very low43.9Very low64 Ų64129 Ų12966%0.6681%0.81SS**  trans-169.9-169.4176.800000112.4
144L38.2Very low44.2Very low159 Ų159130 Ų13083%0.83281%0.814SS**  trans68.9141.5-177.1-49.9-179.3000113.9
145D39.1Very low44.1Very low149 Ų149129.5 Ų129.580%0.79781%0.809SS**  cis-154.9162.3-10.9-95.6-30.6000108.6
146G45Very low44.1Very low79 Ų79129 Ų12981%0.81481%0.813SS**  trans149.5122.1165.300000117.3
147E37.4Very low44.1Very low186 Ų186129.3 Ų129.387%0.86982%0.816SS**  trans-75169.7166.6-76.7-161.48100112.9
148S42.4Very low44.2Very low108 Ų108129.2 Ų129.276%0.75582%0.815SS**  cis-156.7167.6-2.5-133.20000108.8
149G41.2Very low44.3Very low68 Ų68128.8 Ų128.870%0.70182%0.821SS**  trans151.987.915900000120.1
150L36.3Very low44.9Very low187 Ų187128.1 Ų128.198%0.97982%0.823SS**  trans61.2169.8152-66.2173.6000119.5
151R50.6Low44.7Very low241 Ų241127.6 Ų127.691%0.90982%0.818SS**PPolyproline II helixtrans-89.6119.3-155-177.7-175.8-171177.24.4114.1
152G49.5Very low45Very low67 Ų67123.4 Ų123.469%0.69181%0.811SS**PPolyproline II helixtrans-84.5167.6163.600000114
153T42.5Very low44.5Very low140 Ų140126.2 Ų126.286%0.85982%0.815SS**PPolyproline II helixtrans-92.4156.7-172.947.80000114.7
154P54.8Low44.7Very low135 Ų135126.8 Ų126.888%0.87782%0.82SS**PPolyproline II helixtrans-80.3151.3-177.9-10.428.4000115.2
155G42.5Very low44.6Very low71 Ų71127.2 Ų127.273%0.73282%0.823SS**  trans141.1165.2169.100000112.4
156P42.4Very low44.6Very low126 Ų126127.8 Ų127.882%0.81882%0.824SS**  cis-114.5174.1-2.840.9-30.2000113.9
157P52.2Low44.3Very low132 Ų132126.8 Ų126.886%0.85781%0.814SS**  trans-93.9156175.6-2.523.3000114.9
158G48Very low44.3Very low73 Ų73123.9 Ų123.975%0.75382%0.815SS**  trans97.2162.8169.500000114.9
159P47.3Very low44.5Very low136 Ų136125.7 Ų125.788%0.88382%0.821SS**  cis-114.1-177.916.341.2-32.1000115.1
160V50.5Low45.1Very low148 Ų148125.2 Ų125.290%0.89782%0.816SS**  trans-106.7142.7178.8177.40000110.9
161G43.1Very low45.9Very low68 Ų68122 Ų12270%0.70181%0.806SS**  trans-155.4129.8173.800000112.7
162P48.9Very low46.2Very low118 Ų118116.7 Ų116.777%0.76680%0.803SS**  trans-105.7-177.8-172.940.4-36.5000115.2
163M40.5Very low46.4Very low196 Ų196116.4 Ų116.497%0.96680%0.8SS**  trans102.1141.6-177.7-60.8-172.5-71.500114.1
164G45.9Very low47Very low75 Ų75116 Ų11677%0.77380%0.8SS**  cis-170178.4-1.300000114.6
165L35.9Very low46.6Very low168 Ų168118.4 Ų118.488%0.8880%0.801SS**  trans-51.3152.4171-67.1161000111.7
166I38.9Very low46.8Very low161 Ų161118 Ų11883%0.82680%0.798SS**  cis-154.3156.57-103152.5000103.5
167G40.2Very low47Very low59 Ų59119.1 Ų119.161%0.60880%0.795SS**  cis159.2159.824.100000108.6
168S37.2Very low47.3Very low125 Ų125118.7 Ų118.787%0.87479%0.792SS**  trans36.498.4166.762.30000120.7
169T46.9Very low47Very low146 Ų146118.6 Ų118.690%0.89679%0.792SS**  trans-122.8146.4135.6-55.10000107.7
170G52.5Low46.6Very low57 Ų57120.1 Ų120.159%0.58879%0.792SS**PPolyproline II helixtrans-65.8171.2-171.900000115.2
171P53.4Low46.3Very low120 Ų120123.2 Ų123.278%0.77979%0.793SS**PPolyproline II helixtrans-59.8148.5177.827.1-35.3000111.3G173P171-G173 PolarHBondContact O-N 3.26Å
172P57.6Low46.4Very low130 Ų130122.8 Ų122.884%0.84479%0.788SS**PPolyproline II helixtrans-51.6126163.9-23.934.2000109.5
173G52.1Low46.1Very low61 Ų61125.4 Ų125.463%0.62979%0.794SS**PPolyproline II helixtrans-59.7153.1178.600000111.4P171P171-G173 PolarHBondContact O-N 3.26Å
174P56.4Low46.1Very low130 Ų130126 Ų12684%0.84479%0.792SS**PPolyproline II helixtrans-55.7143.717625.2-34.3000110.5G176P174-G176 PolarHBondContact O-N 3.46Å
175M46.4Very low45.9Very low186 Ų186125.3 Ų125.392%0.91678%0.784SS**PPolyproline II helixtrans-52.4128177.4-167.6-174.4-55.900109.8I177M175-I177 PolarHBondContact O-N 3.1Å
176G46.2Very low46Very low64 Ų64122.7 Ų122.766%0.6678%0.78SS**PPolyproline II helixtrans-57.9137.5-170.800000113P174P174-G176 PolarHBondContact O-N 3.46Å
177I47.9Very low46.4Very low148 Ų148120.8 Ų120.876%0.75978%0.778SS**PPolyproline II helixtrans-54.6127.8175.2-49.3171.3000108.8M175 G179M175-I177 PolarHBondContact O-N 3.1Å; I177-G179 PolarHBondContact O-N 3.35Å; I177-G179 VanDerWaalsContact O-N 3.13Å
178P56.6Low46.2Very low123 Ų123121.2 Ų121.280%0.79978%0.783SS**PPolyproline II helixtrans-51.4121.2169.9-28.136.4000110.3L180P178-L180 PolarHBondContact O-N 2.89Å
179G43.7Very low46.4Very low72 Ų72123.6 Ų123.674%0.74278%0.784SS**PPolyproline II helixtrans-62.3130-151.800000115.6I177 K181I177-G179 PolarHBondContact O-N 3.35Å; I177-G179 VanDerWaalsContact O-N 3.13Å; G179-K181 PolarHBondContact O-N 2.76Å; G179-K181 VanDerWaalsContact O-N 3.1Å
180L37.7Very low45.9Very low168 Ų168124.5 Ų124.588%0.8878%0.783SS**  trans-57.5111.8161.2-76.2169.3000109.3P178 G182P178-L180 PolarHBondContact O-N 2.89Å; L180-G182 PolarHBondContact O-N 2.89Å
181K44.2Very low45.6Very low212 Ų212125.4 Ų125.492%0.92279%0.792SS**  trans-65118.2174.6-170175.1-179.1177.90108.9G179G179-K181 PolarHBondContact O-N 2.76Å; G179-K181 VanDerWaalsContact O-N 3.1Å
182G44.6Very low44.9Very low59 Ų59125.4 Ų125.461%0.60879%0.792SS**  trans-70.5135.6-157.400000117L180L180-G182 PolarHBondContact O-N 2.89Å
183I44.3Very low44.2Very low174 Ų174127.9 Ų127.989%0.89280%0.795SS**  trans30135132.452.3164.1000120.9
184K39Very low43.5Very low208 Ų208128.2 Ų128.290%0.90480%0.798SS**  trans-135.9125.1132-162.6-176.5177.4-176.70109.4
185G42.9Very low42.6Very low60 Ų60129.4 Ų129.462%0.61979%0.793SS**  trans-80-162.5168.900000111.6
186S36.5Very low42.3Very low114 Ų114131.3 Ų131.380%0.79779%0.79SS**  cis-177-157.82.146.60000105.6
187P48Very low42.2Very low121 Ų121131.5 Ų131.579%0.78679%0.791SS**  -94.5-173-5514.59.1000109.9
188G37.3Very low41.8Very low68 Ų68133.7 Ų133.770%0.70180%0.798SS**  cis116.1123.95.100000112.8
189I39.9Very low41.1Very low174 Ų174133.8 Ų133.889%0.89280%0.796SS**  trans-152.4154160.443.7171.1000109.9
190D37.1Very low41.2Very low166 Ų166133.4 Ų133.489%0.88879%0.792SS**  trans-106.7146.5-163.8-53.8-86.9000115.6
191G45.1Very low41.4Very low75 Ų75133.2 Ų133.277%0.77379%0.791SS**  trans82.2172.6142.900000119.1
192P39.3Very low42.1Very low121 Ų121128.7 Ų128.779%0.78678%0.784SS**  cis-124166.69.842.3-30.2000116.4
193M43.1Very low42.4Very low181 Ų181128.6 Ų128.689%0.89278%0.783SS**  trans-36.2143.2143163.9-165.974.700112.4
194G38.7Very low42.6Very low68 Ų68126.6 Ų126.670%0.70178%0.781SS**  cis135134.94.500000110.6
195E37Very low43.4Very low156 Ų156126.4 Ų126.473%0.72978%0.781SS**  trans-122.7156.9-178-87.3-115111.200113
196R40.3Very low44Very low226 Ų226126.2 Ų126.285%0.85378%0.778SS**  trans-109116-161.9170.1-174.6-77.1146.4-6.1111.9
197G44.3Very low45.1Very low67 Ų67126.6 Ų126.669%0.69178%0.778SS**  trans-70149.4156.400000111.2
198E39.3Very low45.7Very low194 Ų194126.8 Ų126.891%0.90778%0.779SS**  trans-66.5152.4-174.5-64.5-170.5121.500113.6G200E198-G200 PolarHBondContact O-N 3.47Å
199V41.6Very low46.3Very low126 Ų126126.8 Ų126.876%0.76478%0.779SS**  trans-73.999.9179.7179.80000109.7L201V199-L201 PolarHBondContact O-N 3.26Å
200G45.4Very low47.1Very low63 Ų63124.9 Ų124.965%0.64978%0.778SS**PPolyproline II helixtrans-57.7128.6161.600000110E198E198-G200 PolarHBondContact O-N 3.47Å
201L40.7Very low47.9Very low164 Ų164126.9 Ų126.986%0.85978%0.779SS**PPolyproline II helixtrans-55.8130.5178.1-70.5169.1000110.1V199 G203V199-L201 PolarHBondContact O-N 3.26Å; L201-G203 PolarHBondContact O-N 3Å
202P59.8Low48.2Very low118 Ų118126.1 Ų126.177%0.76677%0.77SS**PPolyproline II helixtrans-55.4125.7174-26.134.9000110.9
203G50.1Low48.9Very low57 Ų57126.7 Ų126.759%0.58877%0.774SS**PPolyproline II helixtrans-60142.1171.600000110.2L201 F205L201-G203 PolarHBondContact O-N 3Å; G203-F205 PolarHBondContact O-N 2.79Å
204P50.1Low49.5Very low132 Ų132124.7 Ų124.786%0.85777%0.773SS**PPolyproline II helixtrans-60.2127.5178.625.2-33.6000109.9G206P204-G206 PolarHBondContact O-N 3.17Å
205F55.9Low49.8Very low204 Ų204124.8 Ų124.890%0.89577%0.773SS**PPolyproline II helixtrans-56.5131.6177.3-110.5-98.8000110.4G203G203-F205 PolarHBondContact O-N 2.79Å
206G55.7Low50.3Low55 Ų55125.3 Ų125.357%0.56778%0.78SS**PPolyproline II helixtrans-62141.4170.500000110.6P204P204-G206 PolarHBondContact O-N 3.17Å
207P57.5Low50.7Low122 Ų122120.6 Ų120.679%0.79278%0.779SS**PPolyproline II helixtrans-64.4132.8177.426.8-33.6000110.2
208P61.2Low50.7Low126 Ų126121.1 Ų121.182%0.81878%0.784SS**PPolyproline II helixtrans-56.7142.1176.2-26.835.4000112.7
209G51Low51Low67 Ų67117.2 Ų117.269%0.69179%0.785SS**PPolyproline II helixtrans-60.4144.8-179.500000113.2K211G209-K211 PolarHBondContact O-N 3.34Å
210P56.2Low51.3Low134 Ų134120.6 Ų120.687%0.8779%0.792SS**PPolyproline II helixtrans-66.4126.2-177.826.9-34000111.7G212P210-G212 PolarHBondContact O-N 3.06Å
211K52.8Low51.3Low209 Ų209120.4 Ų120.491%0.90979%0.791SS**PPolyproline II helixtrans-67127.7178.1-164.6175.8-173.3177.30110.3G209G209-K211 PolarHBondContact O-N 3.34Å
212G52Low51.7Low58 Ų58119.1 Ų119.160%0.59879%0.792SS**PPolyproline II helixtrans-59.9146.9-177.300000113.7P210P210-G212 PolarHBondContact O-N 3.06Å
213P55Low51.4Low134 Ų134120.5 Ų120.587%0.8780%0.798SS**PPolyproline II helixtrans-69.3144.2-174.728.3-35000112.9
214T55.8Low51.1Low139 Ų139121 Ų12185%0.85380%0.804SS**PPolyproline II helixtrans-72.3140.8176.3-49.40000111.4
215G44.9Very low50.9Low69 Ų69124.4 Ų124.471%0.71181%0.808SS**PPolyproline II helixtrans-65.9150.3178.500000113.9
216L46.2Very low50.3Low168 Ų168123.5 Ų123.588%0.8881%0.809SS**PPolyproline II helixtrans-77.9147.9-178.9-67171.1000112.4
217P49.5Very low49.7Very low127 Ų127123.9 Ų123.983%0.82581%0.813SS**PPolyproline II helixtrans-64.6149172.4-20.433.3000113.2
218G44.8Very low49.1Very low78 Ų78125.5 Ų125.580%0.80482%0.82SS**PPolyproline II helixtrans-76151178.300000113.9
219A44.6Very low48.1Very low111 Ų111128.9 Ų128.992%0.91783%0.825SS**PPolyproline II helixtrans-76.8139.6176.800000112.3
220Q47.9Very low47.6Very low197 Ų197129 Ų12992%0.92183%0.826SS**PPolyproline II helixtrans-96.1129.8177.5-169.2171.52.300110.2
221G45.7Very low47Very low60 Ų60128.7 Ų128.762%0.61982%0.824SS**PPolyproline II helixtrans-85.9162.9-171.800000115.4
222P49.6Very low46.7Very low136 Ų136126.9 Ų126.988%0.88383%0.825SS**PPolyproline II helixtrans-76146.5175.432.1-34.9000112.5
223V52.3Low46.2Very low148 Ų148127.4 Ų127.490%0.89783%0.83SS**PPolyproline II helixtrans-93.9140.2175.5177.70000110.1
224G43.7Very low45.6Very low68 Ų68131 Ų13170%0.70183%0.832SS**  trans-93.5-165.7-173.200000116.3
225Q46.3Very low45.3Very low203 Ų203130.4 Ų130.495%0.94983%0.83SS**  trans-133.4171.7178.1-77.9-166.7-10.400113.2
226M43.6Very low45.4Very low185 Ų185130.6 Ų130.691%0.91183%0.833SS**  trans-144152-164.7-177-166.1-51.600109.2
227G42.6Very low45.1Very low63 Ų63131 Ų13165%0.64984%0.835SS**  cis144.5135.1-1.600000110.9
228T44.6Very low44.8Very low155 Ų155133 Ų13395%0.95184%0.837SS**  trans-145.4163.8-171.348.20000112.9
229Q41.3Very low45Very low198 Ų198132.3 Ų132.393%0.92583%0.829SS**  trans-133.2145.5-150.8173.8-173.7-6.200116.2
230G41Very low45.1Very low68 Ų68132.8 Ų132.870%0.70183%0.826SS**  trans95.3167.314900000118
231P43.7Very low44.8Very low129 Ų129132.2 Ų132.284%0.83883%0.825SS**  cis-123.5-167.6-540.7-24.3000114.5
232D44.8Very low44.7Very low171 Ų171131.9 Ų131.991%0.91482%0.822SS**  trans-79165.9-162.7-53.2-81.5000118.9
233G43.4Very low44.5Very low68 Ų68131.6 Ų131.670%0.70182%0.82SS**  trans-167.256-179.400000118.9
234F40.8Very low44.3Very low211 Ų211133 Ų13393%0.92582%0.817SS**  trans65.2149.3166.9-73.2-82.7000120.5
235P51.1Low44.4Very low125 Ų125132.3 Ų132.381%0.81281%0.81SS**  trans-102.8152-170.739.1-33.6000115
236G46.2Very low44.3Very low74 Ų74128.3 Ų128.376%0.76380%0.802SS**  trans-161.2121.6168.600000112.7
237L40.4Very low45Very low177 Ų177124.8 Ų124.893%0.92779%0.792SS**  trans49.4105.9175-71.8168.2000117.2G239L237-G239 PolarHBondContact O-N 3.2Å
238I43.4Very low45Very low169 Ų169124.9 Ų124.987%0.86779%0.794SS**  trans-68.199162.3-63.9171.9000108.6
239G47.5Very low44.9Very low62 Ų62123.6 Ų123.664%0.63979%0.788SS**  trans-63.5143.8158.800000110.1L237 M241L237-G239 PolarHBondContact O-N 3.2Å; G239-M241 PolarHBondContact O-N 3.25Å
240S46.8Very low45Very low121 Ų121119.3 Ų119.385%0.84678%0.78SS**  trans-51.6124.5-170.946.10000114.1G242S240-G242 PolarHBondContact O-N 3.1Å
241M43.1Very low44.9Very low185 Ų185119.5 Ų119.591%0.91178%0.782SS**  trans-74.896.5175.5-178.1169.263.300111G239G239-M241 PolarHBondContact O-N 3.25Å
242G43.1Very low44.5Very low54 Ų54122.1 Ų122.156%0.55779%0.785SS**  trans72.7111.4155.400000116.7S240 Q244S240-G242 PolarHBondContact O-N 3.1Å; G242-Q244 PolarHBondContact O-N 3.05Å; G242-Q244 VanDerWaalsContact O-N 3.11Å
243P44.2Very low44.2Very low130 Ų130121.3 Ų121.384%0.84478%0.779SS**PPolyproline II helixtrans-59.9117.1151.327.8-31.9000107.8G245P243-G245 PolarHBondContact O-N 3.39Å
244Q48.3Very low44.2Very low177 Ų177120.5 Ų120.583%0.82777%0.77SS**PPolyproline II helixtrans-52.9132.5168.7-177.7176.2-300108.3G242G242-Q244 PolarHBondContact O-N 3.05Å; G242-Q244 VanDerWaalsContact O-N 3.11Å
245G46.9Very low44.2Very low54 Ų54116.5 Ų116.556%0.55777%0.766SS**PPolyproline II helixtrans-51.1138.3177.600000110.1P243P243-G245 PolarHBondContact O-N 3.39Å
246P44.6Very low43.6Very low119 Ų119116.6 Ų116.677%0.77376%0.764SS**PPolyproline II helixtrans-53.3133.3-168.721.4-33.5000110G248P246-G248 PolarHBondContact O-N 2.91Å
247P57.9Low43.4Very low110 Ų110116.2 Ų116.271%0.71476%0.76SS**PPolyproline II helixtrans-48.7128.6175.9-28.735.3000110
248G42.1Very low43.3Very low66 Ų66115.2 Ų115.268%0.6876%0.755SS**PPolyproline II helixtrans-50.9132.517600000108.7P246 S250P246-G248 PolarHBondContact O-N 2.91Å; G248-S250 PolarHBondContact O-N 3.45Å
249P42.5Very low43.2Very low127 Ų127116 Ų11683%0.82575%0.751SS**PPolyproline II helixtrans-55.1117.1-15819.2-32.9000111.1G251P249-G251 PolarHBondContact O-N 2.69Å
250S43.7Very low43Very low109 Ų109116 Ų11676%0.76275%0.752SS**PPolyproline II helixtrans-48.2128.7170.3-66.60000108.6G248 M252G248-S250 PolarHBondContact O-N 3.45Å; S250-M252 PolarHBondContact O-N 2.74Å
251G38.5Very low42.6Very low71 Ų71117.2 Ų117.273%0.73275%0.749SS**SBendtrans-50140.1-17700000110.9P249 I253P249-G251 PolarHBondContact O-N 2.69Å; G251-I253 PolarHBondContact O-N 2.75Å; G251-I253 VanDerWaalsContact O-N 3.16Å
252M34.6Very low42.5Very low184 Ų184117 Ų11791%0.90675%0.746SS**  trans-32.1116.5-170.5-69.3166.858.500112.6S250 G254S250-M252 PolarHBondContact O-N 2.74Å; M252-G254 VanDerWaalsContact C-N 3.3Å; M252-G254 PolarHBondContact O-N 2.96Å
253I40.1Very low42.3Very low155 Ų155118.2 Ų118.280%0.79576%0.758SS**  trans-59.4103.1160.7-66.9174.8000105.5G251G251-I253 PolarHBondContact O-N 2.75Å; G251-I253 VanDerWaalsContact O-N 3.16Å
254G41.6Very low42Very low50 Ų50120.2 Ų120.252%0.51576%0.761SS.*PPolyproline II helixtrans-53.8141.6165.900000107.9M252 V256M252-G254 VanDerWaalsContact C-N 3.3Å; M252-G254 PolarHBondContact O-N 2.96Å; G254-V256 PolarHBondContact O-N 3.38Å
255P41.1Very low41.7Very low127 Ų127120.5 Ų120.583%0.82576%0.762SS**PPolyproline II helixtrans-52.5136.3-171.521.9-33.4000110.3G257P255-G257 PolarHBondContact O-N 2.92Å
256V40Very low41.5Very low127 Ų127121 Ų12177%0.7777%0.768SS**PPolyproline II helixtrans-47.2121.6168.3170.90000107.1G254 L258G254-V256 PolarHBondContact O-N 3.38Å; V256-L258 PolarHBondContact O-N 2.92Å
257G42.1Very low41.1Very low66 Ų66120 Ų12068%0.6877%0.769SS**PPolyproline II helixtrans-54.6116.4177.300000108.3P255 K259P255-G257 PolarHBondContact O-N 2.92Å; G257-K259 PolarHBondContact O-N 3.2Å
258L37.5Very low40.6Very low157 Ų157120.4 Ų120.482%0.82277%0.771SS**PPolyproline II helixtrans-55.2134.2171.5-70.6171.3000107.2V256 G260V256-L258 PolarHBondContact O-N 2.92Å; L258-G260 PolarHBondContact O-N 2.03Å; L258-G260 VanDerWaalsContact O-N 3.09Å
259K40.9Very low40.7Very low184 Ų184120.9 Ų120.980%0.878%0.776SS**PPolyproline II helixtrans-48.4122.2163.8175.8-162.4172-160.90105.9G257 D261G257-K259 PolarHBondContact O-N 3.2Å; K259-D261 PolarHBondContact O-N 3.19Å
260G42.8Very low40.6Very low64 Ų64120.5 Ų120.566%0.6678%0.777SS**PPolyproline II helixtrans-53.5118-178.900000109.8L258L258-G260 PolarHBondContact O-N 2.03Å; L258-G260 VanDerWaalsContact O-N 3.09Å
261D38.5Very low40.9Very low145 Ų145123.2 Ų123.278%0.77578%0.782SS**PPolyproline II helixtrans-61.1144.6171.2-65.5-57000108.6K259 G263K259-D261 PolarHBondContact O-N 3.19Å; D261-G263 PolarHBondContact O-N 2.98Å
262E42.2Very low41.2Very low182 Ų182122.5 Ų122.585%0.8578%0.775SS**PPolyproline II helixtrans-59.3131.8174-71.3171.9104.200108.9L264E262-L264 PolarHBondContact O-N 3.33Å
263G38Very low41.5Very low78 Ų78121.3 Ų121.380%0.80477%0.772SS**  trans-57.7109-172.700000111D261 Q265D261-G263 PolarHBondContact O-N 2.98Å; G263-Q265 PolarHBondContact O-N 2.89Å; G263-Q265 VanDerWaalsContact O-N 3.13Å
264L37.3Very low42.3Very low172 Ų172119.8 Ų119.890%0.90177%0.772SS**PPolyproline II helixtrans-59.2120.5-179.7-74.5175.6000109.5E262 G266E262-L264 PolarHBondContact O-N 3.33Å; L264-G266 PolarHBondContact O-N 2.98Å
265Q41.9Very low42.4Very low184 Ų184120.7 Ų120.786%0.8678%0.782SS**PPolyproline II helixtrans-51.2130.6179.2-174174.6600110.2G263 A267G263-Q265 PolarHBondContact O-N 2.89Å; G263-Q265 VanDerWaalsContact O-N 3.13Å; Q265-A267 PolarHBondContact O-N 2.8Å
266G42.9Very low42.3Very low65 Ų65122.1 Ų122.167%0.6778%0.783SS**PPolyproline II helixtrans-52.6136.8-175.900000112L264 P268L264-G266 PolarHBondContact O-N 2.98Å; G266-P268 WeakPolarHBondContact O-CD 3.44Å
267A36.1Very low43.1Very low97 Ų97121.8 Ų121.880%0.80278%0.783SS**PPolyproline II helixtrans-53.3122.2-171.600000111.8Q265 G269Q265-A267 PolarHBondContact O-N 2.8Å; A267-G269 PolarHBondContact O-N 2.88Å
268P49.3Very low43.2Very low118 Ų118122.1 Ų122.177%0.76679%0.786SS**PPolyproline II helixtrans-55.4140.2167-24.234.7000110G266 S270G266-P268 WeakPolarHBondContact O-CD 3.44Å; P268-S270 PolarHBondContact O-N 2.82Å
269G43.9Very low43.3Very low76 Ų76122.8 Ų122.878%0.78479%0.79SS**PPolyproline II helixtrans-54.8138.4179.500000111.5A267 L271A267-G269 PolarHBondContact O-N 2.88Å; G269-L271 PolarHBondContact O-N 2.87Å; G269-L271 VanDerWaalsContact O-N 3.1Å
270S40.6Very low43.4Very low120 Ų120122.1 Ų122.184%0.83980%0.795SS**PPolyproline II helixtrans-55.7116.5-175.951.90000111.5P268 G272P268-S270 PolarHBondContact O-N 2.82Å; S270-G272 PolarHBondContact O-N 3.28Å
271L49.7Very low43.5Very low165 Ų165122.5 Ų122.586%0.86480%0.799SS**PPolyproline II helixtrans-51.2126.8165.5-176.967.6000108.7G269G269-L271 PolarHBondContact O-N 2.87Å; G269-L271 VanDerWaalsContact O-N 3.1Å
272G44.8Very low43.7Very low57 Ų57120.5 Ų120.559%0.58880%0.796SS**PPolyproline II helixtrans-65.6150.7177.200000111.7S270S270-G272 PolarHBondContact O-N 3.28Å
273D40.4Very low44.1Very low158 Ų158118 Ų11885%0.84580%0.796SS**PPolyproline II helixtrans-55.3138.5-177.2-60.4-73.2000112.2G275D273-G275 PolarHBondContact O-N 2.89Å
274P57.2Low44.6Very low123 Ų123117.7 Ų117.780%0.79979%0.793SS**PPolyproline II helixtrans-56.9131.3169.5-22.833.7000110.5
275G42.7Very low44.8Very low69 Ų69114.2 Ų114.271%0.71179%0.789SS**PPolyproline II helixtrans-62.8150.7175.100000112D273D273-G275 PolarHBondContact O-N 2.89Å
276D39.3Very low44.8Very low158 Ų158113.5 Ų113.585%0.84579%0.791SS**PPolyproline II helixtrans-51141.3178.1-67.9-65.4000111.8G278D276-G278 PolarHBondContact O-N 3.11Å
277P57.9Low45Very low120 Ų120113.7 Ų113.778%0.77979%0.793SS**PPolyproline II helixtrans-52.5127.3170.4-25.534.7000110.7L279P277-L279 PolarHBondContact O-N 2.72Å
278G43.7Very low45.1Very low72 Ų72118 Ų11874%0.74280%0.797SS**PPolyproline II helixtrans-56.2131176.800000110.6D276 D280D276-G278 PolarHBondContact O-N 3.11Å; G278-D280 PolarHBondContact O-N 2.9Å
279L39.3Very low45.1Very low172 Ų172118.6 Ų118.690%0.90180%0.8SS**PPolyproline II helixtrans-52138.2175.7-65.5171.8000110.1P277 G281P277-L279 PolarHBondContact O-N 2.72Å; L279-G281 PolarHBondContact O-N 3.12Å
280D43.8Very low45.3Very low169 Ų169118 Ų11890%0.90480%0.795SS**  trans-48.9114.6179.7-79.3-45.8000110.9G278 S282G278-D280 PolarHBondContact O-N 2.9Å; D280-S282 PolarHBondContact O-N 3.06Å
281G44.9Very low45.4Very low73 Ų73118.6 Ų118.675%0.75380%0.795SS**  trans-62.7107.517300000108.9L279L279-G281 PolarHBondContact O-N 3.12Å
282S41.8Very low45.2Very low102 Ų102119.7 Ų119.771%0.71380%0.798SS**PPolyproline II helixtrans-47132.2174.3550000109.9D280 G284D280-S282 PolarHBondContact O-N 3.06Å; S282-G284 PolarHBondContact O-N 3.04Å; S282-G284 VanDerWaalsContact O-N 3.11Å
283P50.3Low45.4Very low129 Ų129119.7 Ų119.784%0.83880%0.798SS**PPolyproline II helixtrans-46.8120.7-172.5-31.635.6000112.4A285P283-A285 PolarHBondContact O-N 3.18Å
284G49.1Very low45.5Very low72 Ų72118.7 Ų118.774%0.74280%0.801SS**PPolyproline II helixtrans-59.8126.4177.800000109.7S282S282-G284 PolarHBondContact O-N 3.04Å; S282-G284 VanDerWaalsContact O-N 3.11Å
285A41.8Very low45Very low99 Ų99117.8 Ų117.882%0.81880%0.803SS**PPolyproline II helixtrans-63.2141.317200000109.7P283 G287P283-A285 PolarHBondContact O-N 3.18Å; A285-G287 PolarHBondContact O-N 3.41Å
286D41.5Very low45.1Very low170 Ų170117.3 Ų117.391%0.90980%0.798SS**  trans-57.1112.4-177.6-65.7-60.4000111.4
287G47.9Very low45Very low69 Ų69120 Ų12071%0.71180%0.802SS**PPolyproline II helixtrans-80.7135.6173.800000111.1A285A285-G287 PolarHBondContact O-N 3.41Å
288E37.1Very low44.3Very low188 Ų188122 Ų12288%0.87981%0.807SS**PPolyproline II helixtrans-59.1138.9-169.5-63.6-170.6120.900113.8G290E288-G290 PolarHBondContact O-N 3.41Å
289P49.5Very low44.1Very low129 Ų129121.9 Ų121.984%0.83881%0.806SS**PPolyproline II helixtrans-59.6120176.1-25.835.1000113.2
290G49.1Very low44.2Very low65 Ų65119.8 Ų119.867%0.6780%0.802SS**PPolyproline II helixtrans-60.5149.1170.900000112.4E288E288-G290 PolarHBondContact O-N 3.41Å
291P41.3Very low44.3Very low132 Ų132117.4 Ų117.486%0.85780%0.799SS**PPolyproline II helixtrans-66.9137.1-166.225.3-34.7000114G293P291-G293 PolarHBondContact O-N 3.16Å
292M45.1Very low44Very low187 Ų187117.1 Ų117.192%0.92180%0.796SS**  trans-62.7114.9-179.6177.8170.465.800112.7
293G49.1Very low43.9Very low57 Ų57121.1 Ų121.159%0.58881%0.808SS**PPolyproline II helixtrans-68.8152.2166.600000112.2P291P291-G293 PolarHBondContact O-N 3.16Å
294P44.2Very low43.4Very low138 Ų138124.9 Ų124.990%0.89681%0.811SS**PPolyproline II helixtrans-72.3141.8-164.728.4-35.8000114
295A46.7Very low42.9Very low103 Ų103124.8 Ų124.885%0.85181%0.811SS**PPolyproline II helixtrans-88.1153.3-17800000114
296G43Very low42.7Very low59 Ų59128.6 Ų128.661%0.60881%0.811SS**  trans91.3109.1139.900000118.3
297K37.3Very low42.5Very low214 Ų214131.6 Ų131.693%0.9381%0.81SS**  trans-142.879.5142.8-71.5-166.4-175.6179.40108.5
298D44.7Very low41.9Very low163 Ų163131.5 Ų131.587%0.87281%0.809SS**  trans-77.3149.7-176.5-61.7-55.2000113.3
299G39Very low42.1Very low70 Ų70130.3 Ų130.372%0.72281%0.807SS**  trans136.9152.4149.600000115.6
300P41Very low41.8Very low128 Ų128130.3 Ų130.383%0.83181%0.807SS**  cis-109.3159.61.939.1-30.9000114.1
301S46.3Very low41.8Very low119 Ų119130.2 Ų130.283%0.83281%0.806SS**  trans-61.3152.8157.6-47.80000110.2
302G38.3Very low41.9Very low66 Ų66130.6 Ų130.668%0.6881%0.808SS**  cis121.4118.31000000110.2
303L39.7Very low42Very low187 Ų187130.5 Ų130.598%0.97981%0.808SS**  trans-136.5152.5178-75.5178.3000111.7
304K39.1Very low41.8Very low207 Ų207130.4 Ų130.490%0.981%0.808SS**  trans-136.3120-165.3169.6-167.2169.7-174.40110.7
305G38.7Very low42Very low71 Ų71130.5 Ų130.573%0.73281%0.808SS**  trans74.3164.4171.700000115
306E37.3Very low41.9Very low178 Ų178134.9 Ų134.983%0.83281%0.811SS**  cis-145.8154.1-5.9-74.9-163.481.900112.1
307R38.2Very low41.8Very low234 Ų234135.1 Ų135.188%0.88381%0.813SS**  trans21.6118.8146.4-169.4-174.2-57.4-156.20.8120.4
308G36.1Very low41.9Very low67 Ų67131.9 Ų131.969%0.69181%0.812SS**  trans140.5149.1154.900000113
309I39.3Very low41.7Very low163 Ų163131 Ų13184%0.83681%0.812SS**  cis-143.7149.6-4.5-62.6-177.7000106.8
310P44.8Very low41.7Very low128 Ų128130.8 Ų130.883%0.83181%0.81SS**  trans-62.5160.7176.3-20.733.5000113.2
311G48.3Very low41.7Very low64 Ų64130.6 Ų130.666%0.6681%0.809SS**  cis151.4129.8200000109.9M313G311-M313 PolarHBondContact O-N 3.29Å
312P43.6Very low41.4Very low139 Ų139137 Ų13790%0.90382%0.815SS**PPolyproline II helixtrans-80120.4-172.8-14.230.4000113.8
313M47.1Very low41.4Very low185 Ų185136.7 Ų136.791%0.91181%0.812SS**PPolyproline II helixtrans-63.6152.6161.6-177.5165.656.900110.7G311G311-M313 PolarHBondContact O-N 3.29Å
314G44.4Very low41.5Very low56 Ų56135.9 Ų135.958%0.57781%0.808SS**PPolyproline II helixtrans-65.4162.7-17100000115.6Q316G314-Q316 PolarHBondContact O-N 2.92Å
315P48.5Very low41.8Very low140 Ų140131.3 Ų131.391%0.90980%0.802SS**  trans-74.891.4-175.430.9-35.6000112.5
316Q45.1Very low42Very low194 Ų194131.8 Ų131.891%0.90781%0.807SS**  trans-73.8123158-177175.3-12.700108.8G314G314-Q316 PolarHBondContact O-N 2.92Å
317G40.5Very low42.1Very low64 Ų64126.9 Ų126.966%0.6680%0.804SS**  trans-102.7150-173.500000114.8
318T40.4Very low42.4Very low146 Ų146122.2 Ų122.290%0.89680%0.804SS**  trans-154.9144.9157.224.70000111.7
319T40Very low42.6Very low144 Ų144122.6 Ų122.688%0.88381%0.808SS**  trans-43151.9166.1-45.20000113.8
320G38.3Very low42.7Very low66 Ų66121.1 Ų121.168%0.6881%0.812SS**  cis178.3-146.64.700000107.7
321P42.6Very low42.7Very low125 Ų125124.2 Ų124.281%0.81282%0.816SS**  cis-133.4174.4-15.142.5-25.9000115.6
322R39.1Very low42.4Very low252 Ų252123.9 Ų123.995%0.95181%0.812SS**  trans8.8137.6148.8-167.2-179.1-166.4165.23.4119.8
323G39.4Very low42.3Very low60 Ų60123.3 Ų123.362%0.61981%0.806SS**  cis164.7-155.55.600000112.6
324L39.9Very low42.3Very low170 Ų170120.9 Ų120.989%0.8981%0.805SS**  trans81123.8-174-52.2175.8000113.8
325S47.1Very low42.1Very low111 Ų111121.3 Ų121.378%0.77681%0.809SS**  cis96.1133.232.175.30000113.7
326G42.9Very low41.5Very low81 Ų81124.4 Ų124.484%0.83581%0.811SS**  cis176.8-164.82.700000111.8
327G39Very low41.1Very low75 Ų75125.1 Ų125.177%0.77381%0.811SS**  trans-177.576.5177.700000118
328P44Very low41.1Very low136 Ų136125.2 Ų125.288%0.88381%0.812SS**  trans-82.3176.7160.937-34.6000111
329G40.8Very low40.6Very low76 Ų76123.4 Ų123.478%0.78481%0.812SS**  cis148.6144.6-0.300000110.8
330S42.1Very low40.6Very low131 Ų131125.5 Ų125.592%0.91681%0.811SS**  trans-152.9165.7178.460.60000113
331Q44.1Very low40.9Very low194 Ų194125.2 Ų125.291%0.90781%0.809SS**  trans-152.2146.1-150.4173-174.2-29.300114.6
332G41.9Very low41.1Very low57 Ų57124.3 Ų124.359%0.58881%0.812SS**  trans144.6126.3161.700000112.5
333T41.8Very low41.2Very low126 Ų126117.4 Ų117.477%0.77380%0.8SS**  cis69147.547.471.60000114
334P47.5Very low41.5Very low135 Ų135118.3 Ų118.388%0.87781%0.809SS**  cis-84.9-165.86.8-10.931.6000114.4
335G39.9Very low41.4Very low65 Ų65116 Ų11667%0.6780%0.804SS**  cis169.4169.3-5.500000113.7
336E36.3Very low41Very low205 Ų205120 Ų12096%0.95881%0.811SS**  trans58.4138.8-172-56.7-166.4156.700115.4
337K35.3Very low41Very low209 Ų209118.9 Ų118.991%0.90980%0.799SS**  cis-109.3149.60.6179.7-177.4177.4-1740110.1
338G41.9Very low41Very low65 Ų65121.6 Ų121.667%0.6781%0.807SS**  trans-88.6163.4-173.100000116.6
339A29.5Very low40.5Very low108 Ų108121.7 Ų121.789%0.89381%0.805SS**  trans61.780.5154.900000119.4
340E38.9Very low40.5Very low188 Ų188120.7 Ų120.788%0.87979%0.794SS**  trans-140.2118.1136.4-169.7166.1-140.600107
341G44.4Very low40.4Very low61 Ų61121 Ų12163%0.62979%0.793SS**  cis115.9123.70.700000110.9
342A47.2Very low40.4Very low106 Ų106116.7 Ų116.788%0.87679%0.79SS**  trans-66.8121.6162.300000107.4
343P40.6Very low40.2Very low106 Ų106117.2 Ų117.269%0.68880%0.796SS**  -126.3149.894.68.212.5000112.3
344G47.3Very low39.9Very low79 Ų79117.1 Ų117.181%0.81480%0.797SS**  trans-83.3134.9164.100000110.7
345P36.7Very low39.6Very low122 Ų122118.2 Ų118.279%0.79279%0.793SS**  trans-113116161.225.4-8.8000111.1G347P345-G347 PolarHBondContact O-N 2.93Å
346Q38.5Very low39.7Very low195 Ų195117.4 Ų117.491%0.91178%0.784SS**  trans-55.9128152.7170.5-169.8-60.200109.5
347G42.4Very low39.8Very low58 Ų58113.2 Ų113.260%0.59878%0.775SS**  trans40.599.3155.400000119.3P345 T349P345-G347 PolarHBondContact O-N 2.93Å; G347-T349 PolarHBondContact O-N 2.92Å
348S39.2Very low40.2Very low132 Ų132108.4 Ų108.492%0.92377%0.765SS**  trans-77.469.6154.244.90000111.1G350S348-G350 VanDerWaalsContact C-N 3.29Å; S348-G350 PolarHBondContact O-N 2.9Å
349T35.1Very low39.9Very low138 Ų138107.6 Ų107.685%0.84776%0.756SS**  trans-71.482.4175-55.70000111.3G347G347-T349 PolarHBondContact O-N 2.92Å
350G40.6Very low40Very low54 Ų54110.9 Ų110.956%0.55775%0.753SS**  trans69.4141.4154.700000118.7S348 A352S348-G350 VanDerWaalsContact C-N 3.29Å; S348-G350 PolarHBondContact O-N 2.9Å; G350-A352 PolarHBondContact O-N 3.05Å; G350-A352 VanDerWaalsContact O-N 3.12Å
351P39.3Very low40.7Very low139 Ų139108.5 Ų108.590%0.90375%0.754SS**  trans-71.396.8152.730.9-30.3000108.6G353P351-G353 PolarHBondContact O-N 3.05Å
352A45.1Very low40.5Very low102 Ų102107.7 Ų107.784%0.84375%0.746SS**  trans-69.9117.7174.200000110.3G350G350-A352 PolarHBondContact O-N 3.05Å; G350-A352 VanDerWaalsContact O-N 3.12Å
353G35.8Very low39.9Very low68 Ų68110.2 Ų110.270%0.70174%0.744SS**  trans-174.9121.1-177.500000114.8P351P351-G353 PolarHBondContact O-N 3.05Å
354P36Very low40.5Very low124 Ų124116.1 Ų116.181%0.80575%0.753SS**  cis-76.3153.8-18.134-33.9000111.3G356P354-G356 PolarHBondContact O-N 2.97Å
355M41.8Very low40.2Very low159 Ų159114.7 Ų114.778%0.78374%0.738SS**  trans-71.481.4152.9-179.8167.55900108.1P358M355-P358 HydrophobicContact CG-CG 3.86Å; M355-P358 HydrophobicContact SD-CG 3.95Å
356G41.4Very low40.1Very low47 Ų47116.5 Ų116.549%0.48574%0.741SS.*PPolyproline II helixtrans-58.2148.1162.800000109.6P354 P358P354-G356 PolarHBondContact O-N 2.97Å; G356-P358 WeakPolarHBondContact O-CD 3.43Å
357P39.5Very low40.6Very low118 Ų118116.3 Ų116.377%0.76674%0.737SS**PPolyproline II helixtrans-59.3122.6-151.120.1-33.2000114G359P357-G359 PolarHBondContact O-N 2.78Å
358P42.3Very low40.6Very low107 Ų107115.7 Ų115.770%0.69573%0.731SS**PPolyproline II helixtrans-69.3119.2159.1-15.231.1000109.1M355 G356M355-P358 HydrophobicContact CG-CG 3.86Å; M355-P358 HydrophobicContact SD-CG 3.95Å; G356-P358 WeakPolarHBondContact O-CD 3.43Å
359G36.3Very low40.7Very low48 Ų48115.2 Ų115.250%0.49572%0.724SS.*  trans99142.3-170.300000111.8P357P357-G359 PolarHBondContact O-N 2.78Å
360E32.1Very low41.6Very low178 Ų178118 Ų11883%0.83273%0.73SS**  cis-83.812811.1-61.6175.5139.700112.9
361P53.6Low41.9Very low138 Ų138117.6 Ų117.690%0.89673%0.726SS**  -95.596115.1-27.538.6000113.6
362G39.1Very low41.9Very low44 Ų44119.1 Ų119.145%0.45473%0.727SS.*  trans-159.9142.9169.900000107.9
363D34.3Very low42Very low158 Ų158122.6 Ų122.685%0.84573%0.729SS**  cis-86.1117-3.6-87.2-49.2000113.2G365D363-G365 WeakPolarHBondContact OD1-CA 3.2Å; D363-G365 PolarHBondContact OD1-N 2.86Å
364R54.1Low42.1Very low230 Ų230122.5 Ų122.587%0.86873%0.728SS**SBend-103.292.4113.6-176174.4-177.3160.92.9107.2L366R364-L366 PolarHBondContact O-N 3.16Å; R364-L366 VanDerWaalsContact O-N 3.13Å
365G41.8Very low42Very low49 Ų49126.3 Ų126.351%0.50573%0.732SS.*  trans-49119.4176.600000111D363D363-G365 WeakPolarHBondContact OD1-CA 3.2Å; D363-G365 PolarHBondContact OD1-N 2.86Å
366L35Very low42.4Very low161 Ų161125.4 Ų125.484%0.84374%0.738SS**  trans-16.1129.3178.7-69.1141.1000116.3R364 G368R364-L366 PolarHBondContact O-N 3.16Å; R364-L366 VanDerWaalsContact O-N 3.13Å; L366-G368 PolarHBondContact O-N 2.89Å; L366-G368 VanDerWaalsContact O-N 3.11Å
367F48.7Very low42.4Very low191 Ų191126.5 Ų126.584%0.83875%0.749SS**  trans-66.8106.7143.2-137.2-81.7000106.3
368G42.7Very low42.3Very low45 Ų45127.4 Ų127.446%0.46476%0.755SS.*PPolyproline II helixtrans-54.6152.8168.900000110.4L366L366-G368 PolarHBondContact O-N 2.89Å; L366-G368 VanDerWaalsContact O-N 3.11Å
369P40.2Very low42.8Very low121 Ų121133.1 Ų133.179%0.78676%0.763SS**PPolyproline II helixtrans-57.4141.6-162.322.1-34.1000113.6
370M53.4Low43Very low196 Ų196133.9 Ų133.997%0.96677%0.77SS**SBendtrans-77121167.7179.8176175.600109.4
371G47.9Very low43.3Very low46 Ų46131.4 Ų131.447%0.47477%0.77SS.*  trans93.9124.9-170.100000110.1
372D39Very low42.9Very low171 Ų171129.9 Ų129.991%0.91476%0.76SS**  cis-99.316731.2-74.7-52.6000118.3
373I47.9Very low42.7Very low175 Ų175131.5 Ų131.590%0.89778%0.776SS**  trans-100127.8176.2-67174.8000110.6
374G38.1Very low42.8Very low66 Ų66133.6 Ų133.668%0.6878%0.781SS**  trans112.3143.5172.400000113.1
375K33.6Very low42.2Very low205 Ų205129.3 Ų129.389%0.89178%0.781SS**  cis-135.3148.316.5-57.8169.9-173.6172.20111
376P50.2Low42Very low139 Ų139130.3 Ų130.390%0.90379%0.791SS**  trans-77.2152172.8-14.530.6000114.3
377G41.2Very low42.4Very low70 Ų70128.5 Ų128.572%0.72279%0.789SS**  trans100.5156.3169.700000114.7
378P37.9Very low41.9Very low138 Ų138128 Ų12890%0.89679%0.786SS**  cis-99.6176.311.338.8-35.6000115
379R52.2Low41.6Very low227 Ų227129.2 Ų129.286%0.85780%0.799SS**  trans-118142.4175.6168.4-172.5175.3-164.11.4110.8
380G39.3Very low41.4Very low63 Ų63129.8 Ų129.865%0.64980%0.795SS**  trans153.2162.9153.600000114.6
381P39.4Very low40.9Very low127 Ų127126.4 Ų126.483%0.82579%0.786SS**  cis-103.2176.1-7.438.8-30.9000113.1
382P45.5Very low40.6Very low106 Ų106127.6 Ų127.669%0.68880%0.798SS**  trans-107163.2174.726.8-9.5000114.3
383G34.6Very low40.6Very low77 Ų77127.1 Ų127.179%0.79480%0.795SS**  trans115147.9173.700000112.9
384E36.2Very low40.5Very low202 Ų202127.2 Ų127.294%0.94480%0.795SS**  cis-114.7176.86.1-64.4-168.9120.800113.5
385T40.6Very low40.5Very low141 Ų141127.4 Ų127.487%0.86580%0.797SS**  trans-118.7131.4178.6-61.80000110.9
386G39.2Very low40.8Very low69 Ų69122.5 Ų122.571%0.71180%0.795SS**  trans-109.4145.1164.900000110.9
387P41.8Very low40.5Very low124 Ų124125.1 Ų125.181%0.80580%0.795SS**  trans-95.3153.1-160.336-37.3000116.8
388K38.8Very low40.6Very low180 Ų180124.9 Ų124.978%0.78379%0.792SS**  trans21.4127.3133.2-172.3-177.9-179.9-168.30117D390K388-D390 WeakPolarHBondContact CE-OD1 3.43Å
389G36.1Very low40.6Very low70 Ų70126.9 Ų126.972%0.72279%0.792SS**  cis140.8176.349.200000107.4
390D37.2Very low40.5Very low134 Ų134122 Ų12272%0.71779%0.79SS**  cis-135.8179.711.6-74.5-38.2000112.1K388K388-D390 WeakPolarHBondContact CE-OD1 3.43Å
391T41.8Very low40.8Very low124 Ų124122.2 Ų122.276%0.76179%0.792SS**  trans-57.2131.4-171.9-51.10000116L393T391-L393 PolarHBondContact O-N 3.49Å
392G42.3Very low40.8Very low71 Ų71123.8 Ų123.873%0.73279%0.793SS**  trans-71.9115.216000000110.9
393L38.2Very low41.4Very low162 Ų162124.7 Ų124.785%0.84880%0.799SS**  trans-67.1133.6-174.4-82.6165.8000113T391 G395T391-L393 PolarHBondContact O-N 3.49Å; L393-G395 PolarHBondContact O-N 2.82Å
394I46.2Very low41.9Very low177 Ų177124.3 Ų124.391%0.90880%0.795SS**  trans-74.7115.7166.9-62.5171.9000108
395G39.4Very low42.1Very low70 Ų70123.3 Ų123.372%0.72280%0.795SS**  trans-155135.2175.700000110.4L393L393-G395 PolarHBondContact O-N 2.82Å
396A38.2Very low42.3Very low102 Ų102122.7 Ų122.784%0.84379%0.787SS**  cis-140165.4-400000111.5G398A396-G398 PolarHBondContact O-N 2.92Å
397Q44.2Very low42.3Very low194 Ų194122.3 Ų122.391%0.90778%0.783SS**  trans-43124.6177.6178.8176.9-1300113.3
398G44.5Very low42.1Very low64 Ų64124.7 Ų124.766%0.6679%0.788SS**PPolyproline II helixtrans-65.3148174.800000112.3A396A396-G398 PolarHBondContact O-N 2.92Å
399M36.2Very low42.5Very low180 Ų180121.6 Ų121.689%0.88779%0.786SS**PPolyproline II helixtrans-61.7147.5172.3-68.6178.767.200110.6G401M399-G401 PolarHBondContact O-N 3.28Å
400P50.5Low42.8Very low126 Ų126122.1 Ų122.182%0.81879%0.792SS**PPolyproline II helixtrans-57131.2-177.5-25.934.9000113
401G46.8Very low43.1Very low67 Ų67124.1 Ų124.169%0.69180%0.799SS**PPolyproline II helixtrans-69.5148.3163.100000110.5M399M399-G401 PolarHBondContact O-N 3.28Å
402N38.1Very low43.1Very low160 Ų160124.4 Ų124.486%0.85680%0.803SS**PPolyproline II helixtrans-59.1138.3175.9-70.9-28.8000110.7
403P57.8Low43.5Very low125 Ų125124.8 Ų124.881%0.81281%0.806SS**PPolyproline II helixtrans-57.2139.7176.7-26.135000113.1
404G46.4Very low43.4Very low69 Ų69126.3 Ų126.371%0.71181%0.809SS**PPolyproline II helixtrans-74.7145.7170.100000111.9D406G404-D406 PolarHBondContact O-N 3.47Å
405L40.1Very low43.1Very low181 Ų181123.1 Ų123.195%0.94881%0.809SS**  trans-95.481.7173.1-74.9171.6000110.2
406D45Very low43.1Very low127 Ų127122.7 Ų122.768%0.67981%0.805SS**  trans-87.7120.5174.5-78.4-3.8000111.5G404 Y1046G404-D406 PolarHBondContact O-N 3.47Å; D406-Y1046 PolarHBondContact OD1-OH 3.48Å
407G38.7Very low43Very low61 Ų61125.5 Ų125.563%0.62981%0.806SS**  trans68.3100.5148.200000119.3
408L38.3Very low43.1Very low174 Ų174124.2 Ų124.291%0.91181%0.805SS**PPolyproline II helixtrans-74.4127.1144.8-78.4174.2000108.9
409P47.5Very low42.9Very low116 Ų116125 Ų12575%0.75381%0.813SS**PPolyproline II helixtrans-64.5141.9176.2-22.634.3000112.5
410G40.7Very low43Very low81 Ų81126 Ų12684%0.83582%0.816SS**PPolyproline II helixtrans-70.5132.417500000112.1
411M44.5Very low42.7Very low176 Ų176128.4 Ų128.487%0.86782%0.818SS**PPolyproline II helixtrans-84.9151.2169.6-66.1-173.569.600110.8
412P42.2Very low42.8Very low130 Ų130128.6 Ų128.684%0.84482%0.82SS**PPolyproline II helixtrans-64.3145.5179.4-19.532.9000112.2
413G50.2Low43Very low78 Ų78132.4 Ų132.480%0.80482%0.823SS**PPolyproline II helixtrans-91.5140.9175.100000112.4
414E35.8Very low42.4Very low194 Ų194135 Ų13591%0.90782%0.824SS**  trans-149.3146.6171.1-129-179.4-160.700110.8
415A41.1Very low42.5Very low110 Ų110134.6 Ų134.691%0.90982%0.82SS**  trans57152.9172.800000118.6
416G38.8Very low42.6Very low62 Ų62134.7 Ų134.764%0.63982%0.818SS**  trans-159.8178.6178.100000112.3
417N36.7Very low43Very low160 Ų160134.1 Ų134.186%0.85682%0.821SS**  trans68.6143.7-172.6-45.5-23.9000112.3
418D45.4Very low43.4Very low167 Ų167134 Ų13489%0.89382%0.82SS**  cis-114170.917.3-70.2-50.7000114.3
419G40.3Very low43.7Very low81 Ų81131.8 Ų131.884%0.83582%0.816SS**  trans-113.6142.9179.800000113.7
420E38.6Very low43.9Very low200 Ų200132.1 Ų132.194%0.93582%0.818SS**  trans-114.5142.2163.7-164170.3-158.800110.2G422E420-G422 PolarHBondContact O-N 3.45Å; E420-G422 VanDerWaalsContact O-N 3.13Å
421M43.7Very low44.3Very low177 Ų177131.6 Ų131.687%0.87281%0.813SS**  trans-84.893.5-160.4-169.5-179.7-65.500112.6R423M421-R423 PolarHBondContact O-N 3.48Å
422G48.1Very low43.9Very low71 Ų71131.1 Ų131.173%0.73281%0.813SS**PPolyproline II helixtrans-55.3121.8167.700000111.2E420E420-G422 PolarHBondContact O-N 3.45Å; E420-G422 VanDerWaalsContact O-N 3.13Å
423R44.1Very low44.2Very low240 Ų240130.6 Ų130.691%0.90681%0.809SS**PPolyproline II helixtrans-59.6138-173-72.5178.7172.2177.3-3.4112.2M421 G425M421-R423 PolarHBondContact O-N 3.48Å; R423-G425 PolarHBondContact O-N 3.38Å
424Q45.3Very low44.1Very low181 Ų181129.9 Ų129.985%0.84680%0.802SS**PPolyproline II helixtrans-50.4132.7165.3-179.7177.4-9.800110.3
425G47.7Very low44.4Very low60 Ų60126.8 Ų126.862%0.61980%0.799SS**PPolyproline II helixtrans-59.3143.4176.400000111.6R423R423-G425 PolarHBondContact O-N 3.38Å
426M41.4Very low44.5Very low183 Ų183127.1 Ų127.190%0.90180%0.795SS**PPolyproline II helixtrans-58.6134.5178.8-67.8172.463.300110.2
427P53Low44.8Very low114 Ų114127.6 Ų127.674%0.7480%0.8SS**PPolyproline II helixtrans-54.4145.7171.2-25.634.9000111.5
428G49.1Very low44.7Very low60 Ų60130.9 Ų130.962%0.61980%0.8SS**PPolyproline II helixtrans-59.6152.8167.300000110.7
429P44.4Very low44.4Very low126 Ų126130.6 Ų130.682%0.81880%0.798SS**PPolyproline II helixtrans-57.2136.7178.924.7-33.8000110.3
430P50.8Low44.3Very low123 Ų123130 Ų13080%0.79979%0.792SS**PPolyproline II helixtrans-54.3143.5177.4-27.435.3000112.3
431G48.3Very low44.1Very low71 Ų71128.6 Ų128.673%0.73279%0.786SS**PPolyproline II helixtrans-59.5139.816900000110.3
432L37.8Very low44Very low166 Ų166126.3 Ų126.387%0.86978%0.784SS**PPolyproline II helixtrans-58.5136.9176.2-69.6172.5000109.8G434L432-G434 PolarHBondContact O-N 2.97Å
433P47.6Very low43.8Very low118 Ų118125.8 Ų125.877%0.76678%0.779SS**PPolyproline II helixtrans-53.7134.8173.6-26.234.8000110.8
434G48Very low43.5Very low63 Ų63120.6 Ų120.665%0.64978%0.776SS**PPolyproline II helixtrans-58.1141.5170.200000109.7L432 S436L432-G434 PolarHBondContact O-N 2.97Å; G434-S436 PolarHBondContact O-N 3.07Å
435P41.6Very low43.1Very low129 Ų129123.7 Ų123.784%0.83878%0.78SS**PPolyproline II helixtrans-58.2131.1177.225.4-33.8000109.1G437P435-G437 PolarHBondContact O-N 3.34Å
436S43.6Very low42.9Very low118 Ų118123.7 Ų123.783%0.82578%0.78SS**PPolyproline II helixtrans-48.7131174.1-65.40000109.4G434 R438G434-S436 PolarHBondContact O-N 3.07Å; S436-R438 PolarHBondContact O-N 2.97Å; S436-R438 VanDerWaalsContact O-N 3.12Å
437G45.4Very low42.5Very low72 Ų72123.9 Ų123.974%0.74278%0.776SS**PPolyproline II helixtrans-52.8124176.800000109.1P435 D439P435-G437 PolarHBondContact O-N 3.34Å; G437-D439 PolarHBondContact O-N 3.42Å
438R35Very low41.9Very low229 Ų229122.2 Ų122.286%0.86477%0.765SS**PPolyproline II helixtrans-52.6130172.1-78.4-178.9163.9-165.7-5.2108S436 G440S436-R438 PolarHBondContact O-N 2.97Å; S436-R438 VanDerWaalsContact O-N 3.12Å; R438-G440 PolarHBondContact O-N 3.45Å; R438-G440 VanDerWaalsContact O-N 3.09Å
439D37.9Very low41.4Very low161 Ų161122.9 Ų122.986%0.86177%0.772SS**PPolyproline II helixtrans-47.9121.9166.3-72.2-57.6000108.1G437 E441G437-D439 PolarHBondContact O-N 3.42Å; D439-E441 PolarHBondContact O-N 3.23Å; D439-E441 VanDerWaalsContact O-N 3.13Å
440G39.8Very low41Very low68 Ų68122.3 Ų122.370%0.70177%0.771SS**PPolyproline II helixtrans-57.8122.4-168.100000110.3R438 P442R438-G440 PolarHBondContact O-N 3.45Å; R438-G440 VanDerWaalsContact O-N 3.09Å; G440-P442 WeakPolarHBondContact O-CD 3.44Å; G440-P442 VanDerWaalsContact O-N 3.12Å
441E32.7Very low40.4Very low171 Ų171126.6 Ų126.680%0.79978%0.777SS**PPolyproline II helixtrans-49.1123.1-179.8-73-166.2136.300109.3D439 G443D439-E441 PolarHBondContact O-N 3.23Å; D439-E441 VanDerWaalsContact O-N 3.13Å; E441-G443 PolarHBondContact O-N 3.36Å
442P42.1Very low40Very low129 Ų129126.4 Ų126.484%0.83878%0.775SS**  trans-53.5113.4-178.4-3036.5000110.2G440G440-P442 WeakPolarHBondContact O-CD 3.44Å; G440-P442 VanDerWaalsContact O-N 3.12Å
443G44.1Very low39.8Very low60 Ų60127.2 Ų127.262%0.61978%0.775SS**  trans-50.8144-165.900000112.7E441 R445E441-G443 PolarHBondContact O-N 3.36Å; G443-R445 PolarHBondContact O-N 3.04Å
444P37.2Very low39.4Very low131 Ų131129.1 Ų129.185%0.85178%0.778SS**  trans-48.9115.7-161.716.9-32.1000111.8G446P444-G446 PolarHBondContact O-N 3Å
445R38.3Very low39.1Very low245 Ų245130 Ų13093%0.92579%0.788SS**  trans-45.6109-174.6-178.9179.9-178.1172.51.6110.1G443G443-R445 PolarHBondContact O-N 3.04Å
446G41.8Very low38.9Very low60 Ų60129.3 Ų129.362%0.61979%0.786SS**PPolyproline II helixtrans-53.6143.5-174.600000112.3P444P444-G446 PolarHBondContact O-N 3Å
447F33.2Very low38.8Very low188 Ų188133.2 Ų133.283%0.82579%0.791SS**PPolyproline II helixtrans-50.9141.2175.5-75.8-84.5000110.7G449F447-G449 PolarHBondContact O-N 3.09Å
448P40.2Very low38.7Very low78 Ų78133 Ų13351%0.50679%0.789SS.*PPolyproline II helixtrans-54125.4-174.7-27.135.1000112.2S450P448-S450 PolarHBondContact O-N 3.25Å
449G39.3Very low38.6Very low75 Ų75128.5 Ų128.577%0.77379%0.787SS**PPolyproline II helixtrans-61.2127.7172.100000110.2F447 K451F447-G449 PolarHBondContact O-N 3.09Å; G449-K451 PolarHBondContact O-N 2.93Å; G449-K451 VanDerWaalsContact O-N 3.16Å
450S37.1Very low38.6Very low114 Ų114131.8 Ų131.880%0.79779%0.787SS**PPolyproline II helixtrans-59117.9168.441.50000108.9P448 G452P448-S450 PolarHBondContact O-N 3.25Å; S450-G452 PolarHBondContact O-N 3.27Å; S450-G452 VanDerWaalsContact O-N 3.1Å
451K37.1Very low38.6Very low212 Ų212131.6 Ų131.692%0.92279%0.785SS**  trans-59.5115.4-179.7-166.8178.9-176.6-176.80108.7G449G449-K451 PolarHBondContact O-N 2.93Å; G449-K451 VanDerWaalsContact O-N 3.16Å
452G40.8Very low38.7Very low67 Ų67130.4 Ų130.469%0.69179%0.789SS**  trans-81.8-178.7-167.600000114.8S450S450-G452 PolarHBondContact O-N 3.27Å; S450-G452 VanDerWaalsContact O-N 3.1Å
453Q33.1Very low38.5Very low183 Ų183132.2 Ų132.286%0.85579%0.79SS**  trans-121.1122.2158.4-70.2-174.8-69.300108.9
454D38.5Very low38.2Very low158 Ų158132.3 Ų132.385%0.84579%0.791SS**  24127.1126.1-41.7-31.5000117.6
455G42.7Very low38.3Very low82 Ų82131.9 Ų131.985%0.84579%0.788SS**  cis-178.3155.9-1.900000111.6
456S37.9Very low38.3Very low115 Ų115132 Ų13280%0.80479%0.788SS**  trans-118.4112.9-16961.20000113.8
457Q41.3Very low38.1Very low200 Ų200132.3 Ų132.394%0.93579%0.792SS**  trans-163130.6153.6-112.7174.8-86.400110.7
458G41.9Very low38.5Very low68 Ų68129.5 Ų129.570%0.70179%0.792SS**  cis165.8-169.9-12.100000114.8
459V34.1Very low38.4Very low134 Ų134132 Ų13281%0.81281%0.812SS**  trans74.499.5158.2-161.90000119.2
460R36.5Very low38.7Very low229 Ų229131.5 Ų131.586%0.86481%0.807SS**  19.9139126.2-177-177.8-72.2177.8-4.6118.4
461G40.3Very low38.7Very low64 Ų64135.8 Ų135.866%0.6681%0.811SS**  cis-151.3-146.412.700000112.3
462V34.6Very low39.1Very low147 Ų147133.9 Ų133.989%0.89181%0.811SS**  cis-144.7168.315.3-178.50000110.5
463I38.9Very low39.3Very low167 Ų167134.1 Ų134.186%0.85681%0.813SS**  trans-68143.8-170.5-63.5159.8000114.8
464G38.2Very low39.4Very low61 Ų61133 Ų13363%0.62981%0.813SS**  trans-152.3144.7158.700000110.4
465P38.5Very low39.5Very low122 Ų122133.6 Ų133.679%0.79282%0.816SS**  trans-109.7151.8-148.338.9-34.1000118.8
466R39Very low39.4Very low248 Ų248133.6 Ų133.694%0.93682%0.816SS**  trans-1138.8145-173.4-176.8-169.9-179.43.6116.9
467G37.7Very low39.3Very low67 Ų67137.8 Ų137.869%0.69182%0.823SS**  cis170.4-141.77.600000107.2
468P40.9Very low39.5Very low128 Ų128136.8 Ų136.883%0.83182%0.821SS**  cis-125.4148.7-37.738.6-24.7000113.1
469S38.7Very low39.7Very low132 Ų132136.8 Ų136.892%0.92382%0.821SS**  trans-165.7156160.1-158.10000108.9
470G45.3Very low39.9Very low64 Ų64135.7 Ų135.766%0.6683%0.826SS**  cis-143.4-161.8-2.700000111.1
471K36.3Very low40.4Very low203 Ų203129.6 Ų129.688%0.88382%0.824SS**  trans-123.4108.1175.4-61.7-179.1-170.5175.80110.6
472D44.9Very low40.6Very low172 Ų172129.4 Ų129.492%0.9282%0.822SS**  trans-146.4145.7160.8-62.1-71.6000105.6
473G46.3Very low40.8Very low72 Ų72127.2 Ų127.274%0.74281%0.811SS**  cis168.3114.1-300000107
474D35.9Very low41.6Very low161 Ų161125.6 Ų125.686%0.86181%0.812SS**  trans-76.9153.5-169.5-72.2-54.1000113.9
475D39.5Very low41.5Very low169 Ų169126.1 Ų126.190%0.90482%0.817SS**  trans63.9122.9167.1-66.1-24.9000119.8
476G39.9Very low41.3Very low82 Ų82126.9 Ų126.985%0.84582%0.822SS**  trans-179.333.7177.800000117.1
477E36Very low41.7Very low203 Ų203120.3 Ų120.395%0.94982%0.82SS**  trans-98.4137.9167.5-118.3-174.6172.200112.3
478M45.5Very low41.8Very low179 Ų179120.4 Ų120.488%0.88282%0.822SS**  trans-107.8137.7-153.9175.4170.453.200112.5
479G47.8Very low41.5Very low69 Ų69120.4 Ų120.471%0.71182%0.822SS**PPolyproline II helixtrans-66.2149.8175.600000113.5
480A37.1Very low42.2Very low110 Ų110120.4 Ų120.491%0.90982%0.818SS**PPolyproline II helixtrans-69.6148.5-178.500000113.4
481A47.3Very low42.3Very low101 Ų101120.5 Ų120.584%0.83582%0.819SS**PPolyproline II helixtrans-97.3160.3-173.500000114.5
482G44.3Very low42.3Very low60 Ų60117.4 Ų117.462%0.61982%0.82SS**PPolyproline II helixtrans-80.8171.1170.100000114.2
483P38.2Very low42.6Very low101 Ų101115.2 Ų115.266%0.65682%0.818SS**PPolyproline II helixtrans-83.3162.1-166.933.7-36.6000115.4
484P55.9Low42.6Very low134 Ų134115.2 Ų115.287%0.8782%0.819SS**  trans-111.7160.5-167.940.5-34.5000116.4
485G35.9Very low42.9Very low71 Ų71111.2 Ų111.273%0.73280%0.801SS**  trans158.8167.7156.400000114.3
486P35.3Very low43.7Very low139 Ų139109 Ų10990%0.90380%0.796SS**  cis-105.7179.9-8.840.2-31.3000112.6
487A47.8Very low43.8Very low109 Ų109106.3 Ų106.390%0.90177%0.768SS**  trans-119.4150.7-178.700000114
488G39.2Very low43.9Very low70 Ų70104.2 Ų104.272%0.72276%0.763SS**  trans136.8161.5165.400000114.4
489P35.3Very low43.6Very low128 Ų128107 Ų10783%0.83176%0.763SS**  cis-104.8160.21.938.6-32.2000114.2
490P52.5Low43.5Very low131 Ų131107.8 Ų107.885%0.85177%0.771SS**  trans-92.2159.9172.8-121.4000114.3
491G47.8Very low43.6Very low66 Ų66106.1 Ų106.168%0.6876%0.764SS**  trans100.4162.3163.200000115.5
492P37.1Very low43Very low138 Ų138112.7 Ų112.790%0.89677%0.768SS**  cis-97.9174.414.238.2-36.2000114.8
493S51.2Low43Very low126 Ų126113.8 Ų113.888%0.88178%0.779SS**  trans-131.2151.2177.5-52.60000112.3
494G45.9Very low43Very low73 Ų73113 Ų11375%0.75378%0.776SS**  trans101.6167.5165.500000116
495P42.6Very low42Very low77 Ų77112.9 Ų112.950%0.578%0.778SS.*  cis-112167.612.736.2-24.1000114.9P848P495-P848 WeakPolarHBondContact CG-O 3.2Å
496P56.3Low42.4Very low123 Ų123113 Ų11380%0.79978%0.78SS**  trans-104.6158.4-17826.7-10.5000114.6
497G40.7Very low43Very low24 Ų24115.6 Ų115.625%0.24778%0.78CS.*  trans146.1159.9161.200000114.4T846 G847G497-T846 CarbonylContact O-C 3.54Å; G497-G847 PolarHBondContact O-N 3.22Å
498L37.4Very low42.7Very low160 Ų160116.7 Ų116.784%0.83878%0.778SS**  cis-160.3131.7-11.8-111.4178.1000110.8
499R41.2Very low42.7Very low238 Ų238116.9 Ų116.990%0.89878%0.78SS**  trans44.3101.4142.9-168.7-168.4-161-1767.8118.8
500G44.9Very low43.1Very low85 Ų85118.7 Ų118.788%0.87678%0.782SS**  trans-129.2128.5155.400000110.6
501G38.3Very low42.8Very low74 Ų74118.5 Ų118.576%0.76378%0.781SS**  trans-169.4170.5179.800000113.3
502R35.3Very low42.4Very low240 Ų240118.7 Ų118.791%0.90678%0.783SS**  trans88113.1-171.1-167.8-174-131.2172.14.3114.8
503G43.5Very low42.7Very low83 Ų83118 Ų11886%0.85678%0.778SS**  trans-148104.5158.100000107.4
504S38.2Very low42.3Very low84 Ų84118 Ų11859%0.58778%0.778SS**  trans-144139.7-173.558.30000109.9
505S36.6Very low41.9Very low131 Ų131117.6 Ų117.692%0.91677%0.774SS**  trans72.6138.8-165.176.30000114.3
506G43.5Very low41.9Very low75 Ų75120.1 Ų120.177%0.77379%0.791SS**  cis177.5170.6-6.700000115.5
507E46.9Very low41.3Very low193 Ų193123 Ų12390%0.90279%0.793SS**  trans-64.8161.6154.7-64169.4107.400109.7
508P41.6Very low41.6Very low132 Ų132125 Ų12586%0.85782%0.815SS**  cis-141.2-176.424.743-24.9000116.5
509G40.3Very low42Very low74 Ų74122.8 Ų122.876%0.76381%0.812SS**  trans166.272.9160.800000118.7
510D43.5Very low42.2Very low166 Ų166123.1 Ų123.189%0.88881%0.814SS**  trans-74.3149.3164.4-68.6-56.1000111.9
511P46.5Very low42.3Very low127 Ų127122.7 Ų122.783%0.82581%0.809SS**  -138.4150.7104.917.73.6000115.4
512G39.6Very low42.5Very low70 Ų70124 Ų12472%0.72281%0.812SS**  trans-82.3-160.2175.200000115
513P42.7Very low42.8Very low123 Ų123119.7 Ų119.780%0.79981%0.813SS**  -147.9175.169.941.4-24.1000117.6
514S42.1Very low42.6Very low125 Ų125119.3 Ų119.387%0.87481%0.809SS**  trans21.6142.1147.6-53.50000121.7
515G39Very low42.7Very low65 Ų65120 Ų12067%0.6782%0.82SS**  cis147.2-147.910.600000109.9
516P41.3Very low43Very low130 Ų130125.5 Ų125.584%0.84482%0.821SS**  -64173.6-89.541.1-34.8000112.9
517Q45.5Very low42.9Very low184 Ų184125.6 Ų125.686%0.8682%0.822SS**  -170.3132.854.3175.9173.2-46.600106.9
518G45.2Very low42.8Very low67 Ų67127.8 Ų127.869%0.69182%0.822SS**  85113.477.800000110.6
519S45.6Very low42.7Very low113 Ų113133.7 Ų133.779%0.7983%0.827SS**  cis-163.8162.918.664.10000114.5
520R45.8Very low42.9Very low245 Ų245133.1 Ų133.193%0.92582%0.822SS**  trans63.2131160.3-116.4170.2178.9150.7-2.5117.3
521G47Very low42.7Very low75 Ų75135.1 Ų135.177%0.77382%0.822SS**  cis134.7140.20.700000110.9
522A43.1Very low42.7Very low102 Ų102135.2 Ų135.284%0.84382%0.82SS**  cis-158167200000113.5
523T41.1Very low42.6Very low149 Ų149135.1 Ų135.191%0.91482%0.819SS**  trans-72.4177.1168.230.50000112.3
524G40.8Very low42.6Very low75 Ų75135.1 Ų135.177%0.77382%0.817SS**  cis176.1-159.26.200000110.7
525A39.3Very low42.8Very low100 Ų100135 Ų13583%0.82681%0.813SS**  trans-117.7143.5-170.500000116.2
526R42.1Very low42.8Very low245 Ų245135.2 Ų135.293%0.92582%0.815SS**  trans68120.9155-168.7179.9-175.1174.91.3119.9
527G42.5Very low42.7Very low77 Ų77134.5 Ų134.579%0.79481%0.813SS**  trans-167.7119.8158.400000113.5
528R44.6Very low42.8Very low239 Ų239131.8 Ų131.890%0.90281%0.812SS**  trans-86145.8175.2-73.7179.1168.7-175.9-4.3111.2
529R39.2Very low42.8Very low256 Ų256132.2 Ų132.297%0.96682%0.815SS**  trans-160.6155.3160.6-160.6160.8-72.5-1411.9115.5
530G45.4Very low42.7Very low63 Ų63131.9 Ų131.965%0.64981%0.813SS**  trans155.3128.4167.700000108.2
531K39.5Very low42.6Very low208 Ų208128.7 Ų128.790%0.90481%0.813SS**  cis-135-178.422.5-61.9176-176.8179.20110.7
532V45.1Very low42.4Very low129 Ų129128.8 Ų128.878%0.78281%0.814SS**  -166.8152.5-62.6130.50000109.5V534V532-V534 HydrophobicContact CG1-CG1 4.12Å
533G36.8Very low42.4Very low67 Ų67127.8 Ų127.869%0.69181%0.813SS**  trans-168.568.2171.700000111.4
534V42.9Very low42.5Very low124 Ų124129.5 Ų129.575%0.75282%0.815SS**  42143.5105.3-74.40000117.7V532V532-V534 HydrophobicContact CG1-CG1 4.12Å
535P48Very low42.6Very low122 Ų122128.9 Ų128.979%0.79281%0.808SS**  cis-143.7165.3-26.238-19.6000117.7
536G39Very low42.7Very low70 Ų70131.3 Ų131.372%0.72281%0.807SS**  trans93.4146.2159.900000116.9
537S37.7Very low42.7Very low114 Ų114130.5 Ų130.580%0.79780%0.804SS**  cis144.5154.1-3.4460000107.6
538P48.1Very low42.8Very low128 Ų128130 Ų13083%0.83180%0.799SS**  cis-140.3167.2-1739.6-21.3000117
539G44.7Very low42.5Very low75 Ų75124.8 Ų124.877%0.77380%0.796SS**  trans90.3155153.200000119.9
540S43.4Very low43.2Very low106 Ų106119.2 Ų119.274%0.74179%0.793SS**  cis-172.5135.3-15.9500000114.9
541I44.5Very low43.1Very low179 Ų179119.4 Ų119.492%0.91880%0.795SS**  trans68.9138.1153-60.2162.5000118.4
542G41.9Very low43.3Very low77 Ų77116 Ų11679%0.79479%0.794SS**  cis168.8167.8-800000113.8
543G42.7Very low43.2Very low80 Ų80118.6 Ų118.683%0.82580%0.802SS**  trans139.4126.9166.600000118.9
544I44.3Very low43.5Very low185 Ų185118.4 Ų118.495%0.94980%0.8SS**  trans-89.6159-172.6-72.1160.5000112.9
545G43.5Very low43.6Very low62 Ų62118.9 Ų118.964%0.63981%0.806SS**  cis173.3-170.9-3.200000115.2
546D41Very low43.2Very low151 Ų151119.4 Ų119.481%0.80781%0.812SS**  trans66.7165.4178.9-101.932.6000117.2
547R42.4Very low43.2Very low229 Ų229119.5 Ų119.586%0.86481%0.813SS**  cis-179.5161.1-17.8163.4178.5170.7179.1-1.9108.9
548G43.8Very low43.1Very low65 Ų65123.2 Ų123.267%0.6782%0.818SS**  cis172139.6-8.500000112.1
549P38.8Very low43.4Very low130 Ų130122.6 Ų122.684%0.84481%0.814SS**  trans-118.3178.7-162.543-34.8000119.2
550P54.1Low43.2Very low139 Ų139122.3 Ų122.390%0.90381%0.811SS**  trans-115.4-153.1-165.345-35.5000117.3
551G42.5Very low43.2Very low68 Ų68123.3 Ų123.370%0.70182%0.815SS**  trans-154.2-173.7-173.900000117.1
552P43.7Very low42.9Very low136 Ų136122.8 Ų122.888%0.88381%0.812SS**  -132.8-167.7-108.542.6-27.9000118.5
553I43.2Very low42.8Very low183 Ų183122.5 Ų122.594%0.93881%0.809SS**  trans-134.2154.4-168.4-64.8170.8000113.5
554G42.7Very low42.4Very low64 Ų64128.1 Ų128.166%0.6681%0.814SS**  trans155.3138.6159.800000113.4
555P45.7Very low42.7Very low134 Ų134125.3 Ų125.387%0.8781%0.808SS**  -159.6-179.587.743.7-24.7000117.2
556S39.5Very low42.5Very low132 Ų132125.7 Ų125.792%0.92381%0.812SS**  176.1159.4126.5-165.70000112.5
557G39.2Very low42.2Very low72 Ų72127.8 Ų127.874%0.74282%0.817SS**  trans153.5139.6172.600000114.8
558Q35.7Very low42.5Very low193 Ų193122.9 Ų122.990%0.90281%0.814SS**  trans-150.6178.8-175.6-133.1-156.32400112.2
559P53.7Low42.2Very low115 Ų115123.9 Ų123.975%0.74783%0.825SS**  -123.3-168.6-100.243-27.7000115.3
560G40.5Very low42.4Very low69 Ų69121.7 Ų121.771%0.71183%0.826SS**  trans-151.1148.8170.800000114.5
561P44.7Very low41.9Very low126 Ų126125.6 Ų125.682%0.81883%0.829SS**  trans-100.5-174.8178.839-30.6000112.3
562I37Very low41.8Very low169 Ų169125.5 Ų125.587%0.86783%0.827SS**  cis-146.9153.822.6-60.2169.6000109.7
563G40Very low41.7Very low71 Ų71125.6 Ų125.673%0.73283%0.828SS**  trans-177.6146162.500000114
564Q34Very low41.8Very low197 Ų197123.6 Ų123.692%0.92183%0.825SS**  trans-121.6166.2-175.3-92.9-157.2-5.800114.2
565P51.6Low41.8Very low126 Ų126123.6 Ų123.682%0.81883%0.825SS**  trans-123.9177.2-140.244.6-35.2000117.5
566G37.7Very low41.6Very low70 Ų70129 Ų12972%0.72283%0.828SS**  trans140.9150.6167.500000111.6
567Q35Very low41.6Very low196 Ų196130.6 Ų130.692%0.91683%0.826SS**  cis-149.7171.2-11.2-109.1-167.1-0.700108.6
568P49.3Very low41.7Very low125 Ų125130.5 Ų130.581%0.81283%0.825SS**  trans-100.9158.8-159.437.9-36.6000117
569G38.6Very low41.9Very low87 Ų87131.4 Ų131.490%0.89783%0.826SS**  trans127.1118.7147.400000117.7
570G41.3Very low41.1Very low84 Ų84134.8 Ų134.887%0.86683%0.831SS**  trans170138.1169.900000112.1
571K43.4Very low41.2Very low221 Ų221134.5 Ų134.596%0.96183%0.829SS**  trans-148.1140.9-170.3-167.8-179-175.8-178.10112.9
572G41.4Very low40.9Very low65 Ų65134.1 Ų134.167%0.6782%0.824SS**  trans111.4170.517400000113.9
573P42Very low41.1Very low138 Ų138132.4 Ų132.490%0.89682%0.817SS**  cis-104.6-173.79.440.1-34.4000114.4
574T45.5Very low41.2Very low141 Ų141132.7 Ų132.787%0.86582%0.82SS**  trans-124.4136.6-171.6-56.20000113.1
575G42.5Very low41.5Very low64 Ų64132 Ų13266%0.6681%0.813SS**  trans90.4142.814000000120.2
576R40.2Very low41.4Very low249 Ų249132 Ų13294%0.9481%0.814SS**  trans-171.2147.7137.3-107.6174.6-178.9-172.90111.4
577D40.8Very low41.6Very low165 Ų165132.2 Ų132.288%0.88282%0.816SS**  trans-121166.2-158.5-44.2-90000115.2
578G42Very low41.9Very low70 Ų70130.2 Ų130.272%0.72282%0.817SS**  trans123.6149.4156.800000116.5
579K38.9Very low41.4Very low211 Ų211133.7 Ų133.792%0.91782%0.822SS**  cis-151.3162.9-0.7-67-169.3179.9-177.60113.1
580Q37.8Very low41.6Very low186 Ų186133.1 Ų133.187%0.86982%0.816SS**  trans-46.1160.3163.3179.9-178.41300115.3
581G42.6Very low41.5Very low63 Ų63138.7 Ų138.765%0.64982%0.82SS**  cis-150.4-1374.900000111.6
582T38.2Very low41.3Very low118 Ų118135 Ų13572%0.72482%0.815SS**  cis-170.4159.9-2.3-9.80000111.6
583D40.8Very low41.2Very low133 Ų133134.9 Ų134.971%0.71182%0.815SS**  trans60138.3160.6-79.130.5000124.5K585D583-K585 IonicContact OD2-NZ 3.67Å
584G42.5Very low40.9Very low77 Ų77136.3 Ų136.379%0.79481%0.814SS**  trans-164.9-27.8-179.600000118.4
585K40.7Very low41.3Very low182 Ų182135.8 Ų135.879%0.79181%0.813SS**  trans70162.1161.1-78.9-176.6177.3170.30120.5D583D583-K585 IonicContact OD2-NZ 3.67Å
586P47.9Very low41.3Very low128 Ų128136.2 Ų136.283%0.83182%0.818SS**  trans-138.5-177.9-138.346.2-30000118.8
587G43.5Very low41.3Very low73 Ų73130.6 Ų130.675%0.75381%0.813SS**  trans125.5146.8166.700000113.1
588T40.8Very low41.7Very low154 Ų154130.9 Ų130.995%0.94581%0.813SS**  cis-131.4-144.920.457.30000114
589Q39Very low41.7Very low198 Ų198130.7 Ų130.793%0.92581%0.811SS**  trans-145.8146.5-142.1169.7-175.3-24.700116.1
590G42.5Very low41.5Very low75 Ų75130.3 Ų130.377%0.77381%0.813SS**  trans136.1136.4164.300000112.7
591Q38.8Very low42Very low202 Ų202133.2 Ų133.294%0.94482%0.816SS**  cis-142173.43.9-166.6171.15.700110.1
592V39.3Very low42.2Very low142 Ų142133.7 Ų133.786%0.86182%0.821SS**  trans-123.2146.1-161.6175.10000114.1
593G39.7Very low42Very low64 Ų64133.6 Ų133.666%0.6683%0.832SS**  trans129.6144.4149.200000115.8
594L35Very low41.9Very low168 Ų168132.2 Ų132.288%0.8884%0.839SS**  cis-154.3151.1-8.4-83.3172.8000109.1
595P53.4Low41.6Very low129 Ų129131.8 Ų131.884%0.83883%0.834SS**  trans-108.5147.7170.737-29.6000114.6
596G43.9Very low41.2Very low74 Ų74131.5 Ų131.576%0.76384%0.836SS**  trans118.9163.5170.100000114.4
597P39.9Very low40.8Very low131 Ų131133.2 Ų133.285%0.85184%0.838SS**  cis-113.9-172.34.941.8-31.3000114
598I49.3Very low40.6Very low171 Ų171132.8 Ų132.888%0.87783%0.834SS**  trans-99.6128.5173.7-71.4172.2000110.7
599G40.9Very low40.3Very low66 Ų66131 Ų13168%0.6882%0.815SS**  trans73.6119.5136.500000120.8
600E35.4Very low40.4Very low203 Ų203128.8 Ų128.895%0.94981%0.805SS**  trans-136.2159.7145.1-77-157.4136.400110
601R48.7Very low40.1Very low246 Ų246127 Ų12793%0.92879%0.786SS**  trans-113.8103.8169.5177-173.4-75.7-177.9-4.3108.9
602G46.2Very low40Very low74 Ų74127.8 Ų127.876%0.76378%0.782SS**  trans-85.116817100000113.4
603A34.3Very low40.3Very low115 Ų115127 Ų12795%0.9578%0.779SS**  trans-93.5-173.9-176.600000113.6
604A38.4Very low40.2Very low105 Ų105127.5 Ų127.587%0.86879%0.785SS**  trans-110.2170.5-161.600000115.4
605G35.2Very low40.4Very low67 Ų67127 Ų12769%0.69179%0.788SS**  trans91.1152.3168.300000115.1
606E33.9Very low39.9Very low177 Ų177130.3 Ų130.383%0.82779%0.793SS**  cis-165.7156.6-17-128.9158.8-177.500108.3
607D39Very low40Very low163 Ų163129.7 Ų129.787%0.87279%0.786SS**  trans58.3157.8170.1-52.9-24.1000119.4
608G38.7Very low40Very low65 Ų65130.2 Ų130.267%0.6779%0.79SS**  cis172.5131.6-10.600000112.9
609E35.4Very low39.8Very low116 Ų116132 Ų13254%0.54279%0.791SS.*  trans60172.8164.5-47.4-162.1-176.800118.9
610Q40.3Very low39.6Very low152 Ų152131.9 Ų131.971%0.7179%0.791SS**  cis-148.9155.1-3.6-149.2179.157.800112.5A752Q610-A752 HydrophobicContact CG-CB 4.16Å
611G36Very low39.5Very low37 Ų37131.6 Ų131.638%0.38179%0.789SS.*  trans72.1125.8139.900000122.6
612Y37.9Very low39.4Very low219 Ų219127.2 Ų127.286%0.85979%0.789SS**  -162.4142.8103.8-99.3-68.6000111.2
613P43.9Very low39.2Very low124 Ų124126.8 Ų126.881%0.80579%0.785SS**  trans-97.1-179.7-175.70.122.7000114.7
614G38.5Very low39.3Very low76 Ų76124.9 Ų124.978%0.78476%0.764SS**  trans-113.6-157.4-175.900000116.4
615V40Very low39.7Very low156 Ų156129.4 Ų129.495%0.94577%0.768SS**  trans-138.4156.3-178.8-76.10000112.3
616Q41.1Very low39.9Very low199 Ų199129.7 Ų129.793%0.9377%0.77SS**  trans-152.4156.7-167.4173.6179.9-29.500109.8
617G47.8Very low40.1Very low61 Ų61129.2 Ų129.263%0.62977%0.772SS**  cis-140.5-116.4-0.400000110.4
618P39.7Very low40.4Very low143 Ų143127.4 Ų127.493%0.92977%0.769SS**  cis-100.5-143.4-0.839.8-32.5000113.2
619K43.7Very low40.6Very low207 Ų207127.7 Ų127.790%0.977%0.771SS**  trans-134.7145.4-150.3171.9-168.6170.9-1670115
620G36.7Very low41Very low65 Ų65132.3 Ų132.367%0.6778%0.784SS**  trans115.6145.715900000114.7
621E33.3Very low40.9Very low197 Ų197131.2 Ų131.292%0.92179%0.788SS**  cis-144.3-165.5-8.9-70.3-158.1127.500110.6
622V47.1Very low41.1Very low154 Ų154132.5 Ų132.593%0.93380%0.802SS**  trans-123.7139.5-164.8173.60000113.7
623G43Very low41.7Very low64 Ų64128.4 Ų128.466%0.6680%0.801SS**  trans149.9150.2165.600000113.3
624S36.1Very low41.3Very low75 Ų75127.8 Ų127.852%0.52481%0.807SS.*  cis-162.5149.1-2.352.40000109K776S624-K776 PolarHBondContact O-NZ 2.82Å; S624-K776 PolarHBondContact OG-NZ 2.82Å
625Q45.6Very low41.2Very low201 Ų201127.6 Ų127.694%0.93981%0.805SS**  trans-104.9151-172.1-162.4169.80.300112.3
626G41Very low41.4Very low72 Ų72126.1 Ų126.174%0.74280%0.798SS**  trans-94.9174.6-160.600000118.6
627I38.1Very low42Very low167 Ų167122.5 Ų122.586%0.85679%0.792SS**  trans-117.3135.7-160.7-32.4171.6000113.5
628P45.3Very low41.5Very low126 Ų126123.2 Ų123.282%0.81880%0.799SS**  trans-87.3163.4164.3-12.531000115.2
629G42Very low41.5Very low70 Ų70123 Ų12372%0.72280%0.795SS**  trans-104.1-177.6-171.900000117.4
630R43.6Very low41.7Very low213 Ų213124.6 Ų124.680%0.80480%0.795SS**  trans-143.6130.6-161.5-175.7-167.9-166.4-160.78115.2
631T39Very low41.8Very low129 Ų129125.2 Ų125.279%0.79180%0.802SS**  trans-160.7151.3166.6-59.20000107.6
632G39.2Very low41.9Very low65 Ų65119.6 Ų119.667%0.6780%0.797SS**  cis179.1159.2-7.500000110.3
633P50.5Low41.5Very low132 Ų132118.9 Ų118.986%0.85780%0.799SS**  trans-122.7151.4-158.840.4-28.7000118.4
634A36.5Very low41.2Very low111 Ų111119 Ų11992%0.91780%0.8SS**  trans-170.9153.2152.500000108.6
635G35.6Very low41.1Very low72 Ų72124.1 Ų124.174%0.74282%0.816SS**  cis-168.4170.3-6.300000110.3
636P44.9Very low40.8Very low125 Ų125122.1 Ų122.181%0.81281%0.808SS**  trans-105.6-177.7-170.843.4-37.3000113.3
637P53.9Low40.6Very low124 Ų124121.9 Ų121.981%0.80581%0.806SS**  -128.6-173.9-69.639.2-22.8000112.2
638G36.3Very low40.5Very low75 Ų75121.5 Ų121.577%0.77381%0.805SS**  trans-135.5149173.300000113.1
639V40.3Very low40.4Very low138 Ų138127.2 Ų127.284%0.83681%0.81SS**  trans-126.9128.9-165.7-1510000114.1
640R47.1Very low40.7Very low241 Ų241126.6 Ų126.691%0.90980%0.804SS**  trans44.9119.9155.3-174.4-177.9-74.1-172.8-1.6120.9
641G40.2Very low40.4Very low78 Ų78123.6 Ų123.680%0.80481%0.809SS**  -127.4173.1127.600000108.5
642G34.8Very low40.7Very low80 Ų80127.5 Ų127.583%0.82582%0.815SS**  cis169.6142.1-2.500000108.1
643S37.8Very low41.2Very low138 Ų138127.2 Ų127.297%0.96581%0.812SS**  trans-100.9154.7-163.7-53.30000116.4
644G38.4Very low40.7Very low66 Ų66127.4 Ų127.468%0.6881%0.813SS**  trans162.1114.1165.700000111
645Q33.4Very low41.6Very low184 Ų184133.6 Ų133.686%0.8681%0.813SS**  65.8141.375.6-67.1-171.13.400113.6
646M38.4Very low42.3Very low159 Ų159132.6 Ų132.678%0.78380%0.802SS**  cis-135.2168.219.9-120.3168.4-78.900110.4
647G37.9Very low42.6Very low67 Ų67132.5 Ų132.569%0.69180%0.802SS**  93.814352.500000110.1
648L35.2Very low42.7Very low159 Ų159132.4 Ų132.483%0.83280%0.801SS**  cis-132.4-151.14-62.3167.5000107.2
649R43.1Very low43.3Very low246 Ų246131.9 Ų131.993%0.92880%0.796SS**  cis-164.6146.20.2-168-178.6-174.3176.12.2106.6
650G48.4Very low43.5Very low57 Ų57134.6 Ų134.659%0.58880%0.799SS**  cis171124.6-11.200000112.4
651T37.7Very low43.5Very low149 Ų149130.7 Ų130.791%0.91480%0.797SS**  trans54.7117.2159.359.90000122.1
652K45.7Very low44Very low212 Ų212129.6 Ų129.692%0.92279%0.785SS**  trans-111.8152.1138.4-172.3173.3-178177.60107.6
653G50.1Low44.7Very low59 Ų59131.5 Ų131.561%0.60878%0.783SS**PPolyproline II helixtrans-62.3165.4-172.900000115.1R655G653-R655 PolarHBondContact O-N 2.84Å
654P38.4Very low45.6Very low136 Ų136130.6 Ų130.688%0.88377%0.774SS**PPolyproline II helixtrans-63117.7-17526.5-34.4000111.3
655R55.3Low46.1Very low241 Ų241130.4 Ų130.491%0.90977%0.771SS**PPolyproline II helixtrans-65.7138.6152.7-168.8174.6-176.4173.5-0.8106.3G653G653-R655 PolarHBondContact O-N 2.84Å
656G51.7Low46.2Very low50 Ų50131.4 Ų131.452%0.51577%0.773SS.*PPolyproline II helixtrans-55.1162.2171.300000111
657P51.3Low46.5Very low123 Ų123131.2 Ų131.280%0.79978%0.775SS**PPolyproline II helixtrans-50.8139.517524.8-34.4000109G659P657-G659 PolarHBondContact O-N 3.1Å
658P56Low46.7Very low123 Ų123133.3 Ų133.380%0.79978%0.779SS**PPolyproline II helixtrans-46.8135.3156.2-21.233.2000107.4E660P658-E660 PolarHBondContact O-N 2.86Å
659G49.3Very low46.9Very low64 Ų64129.8 Ų129.866%0.6677%0.773SS**PPolyproline II helixtrans-53.7142.5168.100000108P657 D661P657-G659 PolarHBondContact O-N 3.1Å; G659-D661 PolarHBondContact O-N 3.22Å; G659-D661 VanDerWaalsContact O-N 3.14Å
660E43.2Very low47.2Very low194 Ų194124.1 Ų124.191%0.90777%0.768SS**PPolyproline II helixtrans-49.1126.2175.8-62.6-179.8140.600108.3P658 G662P658-E660 PolarHBondContact O-N 2.86Å; E660-G662 PolarHBondContact O-N 3.06Å
661D48.3Very low47.1Very low160 Ų160124.7 Ų124.786%0.85677%0.774SS**  trans-56.2111.2169.6-76.5-49.4000105.9G659G659-D661 PolarHBondContact O-N 3.22Å; G659-D661 VanDerWaalsContact O-N 3.14Å
662G49.9Very low47.3Very low55 Ų55126.5 Ų126.557%0.56777%0.772SS**  trans-52.7137.5-176.200000108.7E660 P664E660-G662 PolarHBondContact O-N 3.06Å; G662-P664 VanDerWaalsContact O-N 3.14Å
663P49.1Very low47.7Very low119 Ų119122.7 Ų122.777%0.77377%0.769SS**  trans-49.8127.3-173.820.7-33.2000108.5G665P663-G665 PolarHBondContact O-N 2.72Å
664P57.3Low47.6Very low120 Ų120122.7 Ų122.778%0.77977%0.769SS**  trans-45.9135.9-173.7-32.535.8000111G662 K666G662-P664 VanDerWaalsContact O-N 3.14Å; P664-K666 PolarHBondContact O-N 3.03Å
665G49.1Very low47.9Very low61 Ų61121.9 Ų121.963%0.62976%0.764SS**  trans-47.1137.1-175.400000110.4P663 D667P663-G665 PolarHBondContact O-N 2.72Å; G665-D667 PolarHBondContact O-N 2.95Å
666K35.2Very low47.8Very low205 Ų205116.4 Ų116.489%0.89176%0.759SS**  trans-72.460-179.2-71.2-172.7175.6-176.40111.4P664 S668P664-K666 PolarHBondContact O-N 3.03Å; K666-S668 PolarHBondContact O-N 2.9Å
667D45.5Very low47.5Very low156 Ų156117.4 Ų117.483%0.83477%0.769SS**PPolyproline II helixtrans-60.8118.7163.1-71.4-20.6000106.8G665 A669G665-D667 PolarHBondContact O-N 2.95Å; D667-A669 PolarHBondContact O-N 2.85Å
668S40.3Very low47.1Very low111 Ų111119.7 Ų119.778%0.77677%0.769SS**PPolyproline II helixtrans-69.4128.1-164-600000110.1K666K666-S668 PolarHBondContact O-N 2.9Å
669A39.3Very low47Very low85 Ų85120 Ų12070%0.70277%0.772SS**PPolyproline II helixtrans-53133.9156.900000107.7D667 G671D667-A669 PolarHBondContact O-N 2.85Å; A669-G671 PolarHBondContact O-N 2.81Å; A669-G671 VanDerWaalsContact O-N 3.08Å
670P51.3Low46.6Very low127 Ų127119.8 Ų119.883%0.82577%0.769SS**PPolyproline II helixtrans-52.9121.4168.7-23.833.9000108E672P670-E672 PolarHBondContact O-N 2.77Å
671G44.9Very low46.4Very low68 Ų68114.1 Ų114.170%0.70175%0.749SS**PPolyproline II helixtrans-55.6137.5-177.300000110.1A669A669-G671 PolarHBondContact O-N 2.81Å; A669-G671 VanDerWaalsContact O-N 3.08Å
672E42.2Very low46.3Very low188 Ų188118.5 Ų118.588%0.87975%0.754SS**PPolyproline II helixtrans-53.1131.6174-65.3-170.8124.900108.9P670 G674P670-E672 PolarHBondContact O-N 2.77Å; E672-G674 PolarHBondContact O-N 2.63Å
673P53.6Low45.7Very low131 Ų131118.5 Ų118.585%0.85175%0.754SS**  trans-56113.8175.8-25.634.8000108.9
674G48.9Very low45.1Very low59 Ų59119.2 Ų119.261%0.60876%0.758SS**PPolyproline II helixtrans-53.8143.2-178.900000110.5E672E672-G674 PolarHBondContact O-N 2.63Å
675P44.9Very low44.1Very low120 Ų120121.4 Ų121.478%0.77976%0.761SS**PPolyproline II helixtrans-54.7138.8178.524.1-33.8000109.3G677P675-G677 PolarHBondContact O-N 2.82Å; P675-G677 VanDerWaalsContact O-N 3.1Å
676P53.7Low43.2Very low126 Ų126126.5 Ų126.582%0.81877%0.769SS**PPolyproline II helixtrans-52.5121.9176.9-26.434.7000110.1E678P676-E678 PolarHBondContact O-N 2.92Å
677G44.9Very low43Very low70 Ų70122.6 Ų122.672%0.72276%0.762SS**PPolyproline II helixtrans-55.8136.4-175.200000111.4P675P675-G677 PolarHBondContact O-N 2.82Å; P675-G677 VanDerWaalsContact O-N 3.1Å
678E41.8Very low42.2Very low172 Ų172124.3 Ų124.380%0.80477%0.765SS**PPolyproline II helixtrans-59.9132.8179.5-64.1-169.7129.600109.9P676 G680P676-E678 PolarHBondContact O-N 2.92Å; E678-G680 PolarHBondContact O-N 3.14Å
679P53.7Low41.9Very low130 Ų130122.3 Ų122.384%0.84476%0.762SS**  trans-60.6113.9176.7-24.134.5000110.5
680G42Very low41.6Very low58 Ų58129.1 Ų129.160%0.59877%0.771SS**  trans-52.4144.7-174.500000113.4E678 R682E678-G680 PolarHBondContact O-N 3.14Å; G680-R682 PolarHBondContact O-N 2.91Å
681P39.4Very low41Very low76 Ų76129.1 Ų129.149%0.49476%0.764SS.*  trans-62.1125-170.825.7-34.3000111.1S59 G683S59-P681 WeakPolarHBondContact O-CD 3.07Å; P681-G683 PolarHBondContact O-N 3.02Å; P681-G683 VanDerWaalsContact O-N 3.09Å
682R45.6Very low40.6Very low252 Ų252132.7 Ų132.795%0.95177%0.767SS**  trans-62.5114.4172.9-100.3-179165.6166.1-3.6109.7G680G680-R682 PolarHBondContact O-N 2.91Å
683G37.1Very low40.2Very low55 Ų55127.3 Ų127.357%0.56776%0.762SS**  trans-56.7151.9-178.200000114.1P681 I685P681-G683 PolarHBondContact O-N 3.02Å; P681-G683 VanDerWaalsContact O-N 3.09Å; G683-I685 PolarHBondContact O-N 2.97Å; G683-I685 VanDerWaalsContact O-N 3.16Å
684P35.5Very low39.2Very low134 Ų134130.3 Ų130.387%0.8776%0.762SS**  trans-72.6107.9-171.428.8-35.1000112.2
685I37.4Very low38.5Very low165 Ų165134.7 Ų134.785%0.84678%0.777SS**  trans-79126168.9-64.1178.7000109.2G683G683-I685 PolarHBondContact O-N 2.97Å; G683-I685 VanDerWaalsContact O-N 3.16Å
686Q29.9Very low38.1Very low169 Ų169134.2 Ų134.279%0.7977%0.771SS**  trans-74.1136.5176.9-69.8-174.4-6.100112.4
687V30.7Very low37.6Very low123 Ų123130.3 Ų130.375%0.74575%0.754SS**  trans46.4121.8135.9-172.10000118.5
688Q29.2Very low37.4Very low191 Ų191133 Ų13389%0.89376%0.758SS**  160.5150108.8-156.2157.674.900113.3
689G34.3Very low37.4Very low69 Ų69133.7 Ų133.771%0.71176%0.762SS**  trans113.3110.9150.900000118.6
690Y31.7Very low37Very low228 Ų228130.5 Ų130.589%0.89475%0.752SS**  trans-78.9159.5156.4-68.6-106.6000108.2
691D40.4Very low36.9Very low128 Ų128132.3 Ų132.368%0.68476%0.762SS**  -177.8160.456.9-165.325000114.5
692N35.9Very low37.2Very low142 Ų142138.2 Ų138.276%0.75978%0.78SS**  trans34.9104.7156.4-80.5-49.5000122.3
693G33Very low37.1Very low76 Ų76129.2 Ų129.278%0.78477%0.766SS**  trans167104.6151.700000118.2
694K33.5Very low37.3Very low193 Ų193133.4 Ų133.484%0.83977%0.774SS**  trans62.3115.1-177.8-72.3-173173.2-173.20115.7V696K694-V696 HydrophobicContact CB-CG2 4.44Å; K694-V696 HydrophobicContact CD-CG2 4.26Å; K694-V696 PolarHBondContact O-N 2.68Å
695V33.5Very low38.1Very low152 Ų152132.6 Ų132.692%0.92177%0.769SS**  trans-75.278.8152.1-174.60000108.5
696V37.5Very low38.5Very low110 Ų110128 Ų12867%0.66776%0.762SS**  trans-85.9111.7142.91760000103.5K694K694-V696 HydrophobicContact CB-CG2 4.44Å; K694-V696 HydrophobicContact CD-CG2 4.26Å; K694-V696 PolarHBondContact O-N 2.68Å
697G43.4Very low39Very low44 Ų44129.5 Ų129.545%0.45476%0.762SS.*  trans-53.7147.2172.200000109.4Q699G697-Q699 PolarHBondContact O-N 2.91Å; G697-Q699 VanDerWaalsContact O-N 3.1Å
698P39.5Very low40.2Very low125 Ų125129.3 Ų129.381%0.81276%0.763SS**  trans-49.3125.3-174.221.8-33.7000109.1G700P698-G700 WeakPolarHBondContact O-CA 3.4Å; P698-G700 PolarHBondContact O-N 2.74Å
699Q42.7Very low41.2Very low187 Ų187123.1 Ų123.187%0.87475%0.751SS**  trans-51.3107.4-177.3174.8-178.3-16.900107.6G697 A701G697-Q699 PolarHBondContact O-N 2.91Å; G697-Q699 VanDerWaalsContact O-N 3.1Å; Q699-A701 PolarHBondContact O-N 3.26Å
700G45.6Very low41.5Very low63 Ų63125.6 Ų125.665%0.64975%0.754SS**  trans-48.7116.8-159.100000110.2P698 K702P698-G700 WeakPolarHBondContact O-CA 3.4Å; P698-G700 PolarHBondContact O-N 2.74Å; G700-K702 WeakPolarHBondContact O-CA 3.31Å; G700-K702 PolarHBondContact O-N 3.34Å
701A39.7Very low42.3Very low96 Ų96125.7 Ų125.779%0.79375%0.753SS**  trans-45.5110.8-16500000109.2Q699 G703Q699-A701 PolarHBondContact O-N 3.26Å; A701-G703 VanDerWaalsContact O-CA 3.25Å; A701-G703 WeakPolarHBondContact O-CA 3.35Å; A701-G703 PolarHBondContact O-N 3.36Å
702K44.4Very low42.7Very low200 Ų200122.7 Ų122.787%0.8775%0.752SS**  trans-41.1104.7-157.4178.6-169.1175.5-173.90109.3G700 L704G700-K702 WeakPolarHBondContact O-CA 3.31Å; G700-K702 PolarHBondContact O-N 3.34Å; K702-L704 PolarHBondContact O-N 3.48Å
703G43.9Very low43Very low64 Ų64126.8 Ų126.866%0.6676%0.757SS**  trans-44.2122.7-156.800000111.3A701A701-G703 VanDerWaalsContact O-CA 3.25Å; A701-G703 WeakPolarHBondContact O-CA 3.35Å; A701-G703 PolarHBondContact O-N 3.36Å
704L41.6Very low43.9Very low142 Ų142128.3 Ų128.374%0.74375%0.753SS**  trans-40.4119.9179.6-74.3172.7000107.7K702 G706K702-L704 PolarHBondContact O-N 3.48Å; L704-G706 VanDerWaalsContact O-CA 3.31Å; L704-G706 WeakPolarHBondContact O-CA 3.01Å; L704-G706 PolarHBondContact O-N 3.34Å
705P53.1Low44.3Very low118 Ų118122.4 Ų122.477%0.76675%0.747SS**  trans-49.5109.9-173.7-30.135.6000109Y707P705-Y707 PolarHBondContact O-N 2.86Å; P705-Y707 VanDerWaalsContact O-N 3.13Å
706G44.9Very low44.6Very low67 Ų67122.4 Ų122.469%0.69174%0.74SS**  trans-52.4122.8-15500000110.1L704L704-G706 VanDerWaalsContact O-CA 3.31Å; L704-G706 WeakPolarHBondContact O-CA 3.01Å; L704-G706 PolarHBondContact O-N 3.34Å
707Y41.5Very low45.1Very low202 Ų202122.3 Ų122.379%0.79274%0.742SS**  trans-35.5115.7-170.4-74.4-78.8000110P705 G709P705-Y707 PolarHBondContact O-N 2.86Å; P705-Y707 VanDerWaalsContact O-N 3.13Å; Y707-G709 WeakPolarHBondContact O-CA 3.07Å; Y707-G709 PolarHBondContact O-N 3.16Å
708P55.5Low45.2Very low118 Ų118123.4 Ų123.477%0.76675%0.753SS**  trans-49.8110.3-175.9-30.735.8000109.2P710P708-P710 WeakPolarHBondContact O-CA 3.5Å; P708-P710 VanDerWaalsContact O-N 3.11Å
709G50Low45.2Very low62 Ų62121.6 Ų121.664%0.63975%0.749SS**  trans-48.2120.5-159.100000109.9Y707 R711Y707-G709 WeakPolarHBondContact O-CA 3.07Å; Y707-G709 PolarHBondContact O-N 3.16Å; G709-R711 PolarHBondContact O-N 3.48Å
710P41Very low45.5Very low120 Ų120118.8 Ų118.878%0.77975%0.747SS**  trans-51.5109.4-149.917.8-33000109.6P708 G712P708-P710 WeakPolarHBondContact O-CA 3.5Å; P708-P710 VanDerWaalsContact O-N 3.11Å; P710-G712 VanDerWaalsContact O-CA 3.32Å; P710-G712 WeakPolarHBondContact O-CA 3.33Å; P710-G712 PolarHBondContact O-N 3.17Å
711R48.2Very low45.5Very low230 Ų230118.9 Ų118.987%0.86875%0.748SS**  trans-38.9105.8-163.2177.1-179.2178173.50.7108.8G709 R713G709-R711 PolarHBondContact O-N 3.48Å; R711-R713 PolarHBondContact O-N 3.24Å; R711-R713 VanDerWaalsContact O-N 3.11Å
712G48.2Very low45.3Very low65 Ų65121.8 Ų121.867%0.6775%0.75SS**  trans-45.1120.8-160.700000109.8P710 P714P710-G712 VanDerWaalsContact O-CA 3.32Å; P710-G712 WeakPolarHBondContact O-CA 3.33Å; P710-G712 PolarHBondContact O-N 3.17Å; G712-P714 VanDerWaalsContact O-N 3.13Å
713R42.4Very low45.4Very low229 Ų229118.1 Ų118.186%0.86475%0.747SS**  trans-36.9121.9-167.9-75.2-174.7177.5-140.80.6108.7R711 G715R711-R713 PolarHBondContact O-N 3.24Å; R711-R713 VanDerWaalsContact O-N 3.11Å; R713-G715 WeakPolarHBondContact O-CA 3.38Å; R713-G715 PolarHBondContact O-N 2.96Å
714P51.3Low45.6Very low107 Ų107117.8 Ų117.870%0.69574%0.743SS**  trans-45114175.1-29.335.5000107.7G712 I716G712-P714 VanDerWaalsContact O-N 3.13Å; P714-I716 PolarHBondContact O-N 3.05Å; P714-I716 VanDerWaalsContact O-N 3.16Å
715G43Very low45.4Very low69 Ų69117.1 Ų117.171%0.71175%0.747SS**  trans-52.7126.3-161.800000108.5R713 P717R713-G715 WeakPolarHBondContact O-CA 3.38Å; R713-G715 PolarHBondContact O-N 2.96Å; G715-P717 WeakPolarHBondContact O-CD 3.36Å
716I39.2Very low45Very low152 Ų152119.6 Ų119.678%0.77975%0.752SS**  trans-37.9111.8-166.2-61.5171.7000108P714 G718P714-I716 PolarHBondContact O-N 3.05Å; P714-I716 VanDerWaalsContact O-N 3.16Å; I716-G718 PolarHBondContact O-N 3.35Å
717P48.7Very low45Very low108 Ų108119.1 Ų119.170%0.70175%0.747SS**  trans-50.5115.4-177.6-29.135.3000107.7G715 A719G715-P717 WeakPolarHBondContact O-CD 3.36Å; P717-A719 PolarHBondContact O-N 2.8Å
718G44.8Very low44.8Very low67 Ų67119 Ų11969%0.69175%0.754SS**  trans-51.4130.7-16500000108.9I716 P720I716-G718 PolarHBondContact O-N 3.35Å; G718-P720 VanDerWaalsContact O-N 3.09Å
719A40.6Very low44.2Very low88 Ų88118.2 Ų118.273%0.72776%0.757SS**  trans-43.3123.3-175.500000108.4P717 G721P717-A719 PolarHBondContact O-N 2.8Å; A719-G721 WeakPolarHBondContact O-CA 3.37Å; A719-G721 PolarHBondContact O-N 2.77Å
720P48.5Very low44.1Very low128 Ų128118.3 Ų118.383%0.83176%0.759SS**  trans-49.2111.3-170.8-30.535.3000109.2G718 D722G718-P720 VanDerWaalsContact O-N 3.09Å; P720-D722 PolarHBondContact O-N 2.82Å
721G46Very low44.5Very low64 Ų64119.2 Ų119.266%0.6676%0.761SS**  trans-56.2136.6-164.800000109.9A719A719-G721 WeakPolarHBondContact O-CA 3.37Å; A719-G721 PolarHBondContact O-N 2.77Å
722D34Very low44.6Very low157 Ų157114.3 Ų114.384%0.8476%0.759SS**  trans-39.5119.3178-74.2-49.9000108.7P720 G724P720-D722 PolarHBondContact O-N 2.82Å; D722-G724 PolarHBondContact O-N 2.89Å
723P48.2Very low44.8Very low124 Ų124114.4 Ų114.481%0.80576%0.761SS**  trans-47.9112.3-165.8-3436.2000110.9
724G46.2Very low44.9Very low56 Ų56112.8 Ų112.858%0.57776%0.763SS**  trans-51.6137.2-17200000109.4D722 I726D722-G724 PolarHBondContact O-N 2.89Å; G724-I726 PolarHBondContact O-N 3.08Å
725P37.6Very low44.8Very low129 Ų129115.6 Ų115.684%0.83877%0.772SS**  trans-51.9123.9-177.523.2-33.7000107.9G727P725-G727 PolarHBondContact O-N 2.84Å
726I44.8Very low45.3Very low170 Ų170115.2 Ų115.287%0.87277%0.768SS**  trans-48.4110.1-170-68171.8000108.1G724G724-I726 PolarHBondContact O-N 3.08Å
727G45.7Very low45.8Very low57 Ų57113.6 Ų113.659%0.58877%0.768SS**  trans-58.2141.8176.300000108.6P725 A729P725-G727 PolarHBondContact O-N 2.84Å; G727-A729 PolarHBondContact O-N 3.23Å; G727-A729 VanDerWaalsContact O-N 3.16Å
728E37.4Very low46.2Very low199 Ų199114.6 Ų114.693%0.9377%0.774SS**  trans-48.7127.7172.3-64.7-172.6135.200108.5G730E728-G730 PolarHBondContact O-N 3.13Å
729A42.3Very low46.7Very low101 Ų101114.6 Ų114.684%0.83577%0.774SS**  trans-56.3109.8-164.200000110.3G727 V731G727-A729 PolarHBondContact O-N 3.23Å; G727-A729 VanDerWaalsContact O-N 3.16Å; A729-V731 PolarHBondContact O-N 2.98Å
730G49.2Very low47.1Very low65 Ų65116.3 Ų116.367%0.6778%0.778SS**PPolyproline II helixtrans-54.2129173.600000108.5E728E728-G730 PolarHBondContact O-N 3.13Å
731V48.1Very low47.2Very low138 Ų138118.1 Ų118.184%0.83678%0.781SS**PPolyproline II helixtrans-49.4127.9174.3-83.70000108.5A729 G733A729-V731 PolarHBondContact O-N 2.98Å; V731-G733 PolarHBondContact O-N 3.02Å
732P51Low47.4Very low127 Ų127118.3 Ų118.383%0.82578%0.783SS**PPolyproline II helixtrans-52.7118.7-176.6-29.435.7000110.7E734P732-E734 PolarHBondContact O-N 2.67Å
733G51.9Low48.1Very low68 Ų68116.8 Ų116.870%0.70178%0.781SS**PPolyproline II helixtrans-64.2128.4167.300000108V731 D735V731-G733 PolarHBondContact O-N 3.02Å; G733-D735 PolarHBondContact O-N 2.89Å
734E44Very low48.1Very low195 Ų195122.8 Ų122.891%0.91179%0.788SS**PPolyproline II helixtrans-60.6133.2178.2-60.4-176.4129.100109.7P732 G736P732-E734 PolarHBondContact O-N 2.67Å; E734-G736 PolarHBondContact O-N 3.11Å
735D50.7Low48.1Very low165 Ų165123.6 Ų123.688%0.88280%0.797SS**  trans-58.8111.4-179.2-76.7-51.5000110.2G733G733-D735 PolarHBondContact O-N 2.89Å
736G52.9Low48.2Very low62 Ų62127 Ų12764%0.63980%0.798SS**PPolyproline II helixtrans-60.3134.2175.200000110.2E734E734-G736 PolarHBondContact O-N 3.11Å
737P49.2Very low48.2Very low118 Ų118127 Ų12777%0.76680%0.8SS**PPolyproline II helixtrans-60.2143.3-178.925.5-34.4000110.4G739P737-G739 PolarHBondContact O-N 3.41Å; P737-G739 VanDerWaalsContact O-N 3.13Å
738P57.9Low48Very low129 Ų129127.9 Ų127.984%0.83881%0.809SS**PPolyproline II helixtrans-51.2121.7177.4-28.535.6000111.5
739G53.9Low48.1Very low67 Ų67126 Ų12669%0.69180%0.804SS**PPolyproline II helixtrans-63135179.400000110.8P737P737-G739 PolarHBondContact O-N 3.41Å; P737-G739 VanDerWaalsContact O-N 3.13Å
740P50.2Low48.3Very low124 Ų124128.7 Ų128.781%0.80580%0.804SS**PPolyproline II helixtrans-66151.3175.829.2-35.1000110.9G742P740-G742 PolarHBondContact O-N 3.32Å
741D50.5Low48.1Very low166 Ų166128.3 Ų128.389%0.88880%0.8SS**PPolyproline II helixtrans-52.2126.4178.7-72.1-55.6000111.8
742G50.7Low47.7Very low68 Ų68124.3 Ų124.370%0.70178%0.781SS**PPolyproline II helixtrans-64.7125.2-172.200000112.3P740 R744P740-G742 PolarHBondContact O-N 3.32Å; G742-R744 PolarHBondContact O-N 2.86Å
743P47.8Very low47.9Very low125 Ų125123.1 Ų123.181%0.81277%0.773SS**PPolyproline II helixtrans-63.5134.8174.326.6-33.5000110.1G745P743-G745 PolarHBondContact O-N 3Å
744R47.3Very low48Very low249 Ų249123.6 Ų123.694%0.9478%0.778SS**PPolyproline II helixtrans-51.8124.6178.1-177.9176.6177.6173.8-0.7110.3G742G742-R744 PolarHBondContact O-N 2.86Å
745G47.7Very low47.9Very low74 Ų74125.9 Ų125.976%0.76378%0.779SS**PPolyproline II helixtrans-64.7164.9-169.900000115.3P743P743-G745 PolarHBondContact O-N 3Å
746K38.3Very low48Very low201 Ų201124.2 Ų124.287%0.87478%0.777SS**  trans-131.8143.7165.950.3174.5176.9169.10107.9
747D45.9Very low48.1Very low168 Ų168125 Ų12590%0.89879%0.785SS**  trans-70.4161.1-167-52.6-77.5000113.6
748G40.9Very low47.7Very low76 Ų76129.5 Ų129.578%0.78479%0.793SS**  trans-92.1-179.5-164.100000117.1
749I39.6Very low46.8Very low161 Ų161129.2 Ų129.283%0.82679%0.793SS**  trans-142.2149.7173.749.4173.6000109.4
750D46.7Very low46.7Very low157 Ų157129.6 Ų129.684%0.8480%0.797SS**  trans-116.4114.1-167.1-86.5-42.6000114.2
751G45.9Very low46.2Very low56 Ų56133.7 Ų133.758%0.57780%0.802SS**  trans171.8144.7166.900000113.7
752A38.9Very low46.5Very low54 Ų54132.1 Ų132.145%0.44680%0.801SS.*  cis-156.1169.3-3.800000111.5Q610Q610-A752 HydrophobicContact CG-CB 4.16Å
753P55.4Low46.1Very low102 Ų102132.4 Ų132.466%0.66281%0.805SS**PPolyproline II helixtrans-75146.8-169.8-18.933.3000117
754G52.9Low45.7Very low78 Ų78135.8 Ų135.880%0.80481%0.81SS**PPolyproline II helixtrans-87.1156.9175.800000115.3
755R43.6Very low45.6Very low244 Ų244130 Ų13092%0.92181%0.807SS**PPolyproline II helixtrans-90.4154-169.8-63.6-179.2178.3-174.8-0.6114.8
756P51.6Low45.5Very low130 Ų130130.1 Ų130.184%0.84481%0.809SS**PPolyproline II helixtrans-67.5150.6175.5-20.433.3000115.5
757G55.4Low45.5Very low78 Ų78125.4 Ų125.480%0.80481%0.807SS**PPolyproline II helixtrans-79.4161.7172.200000114.3
758K39.9Very low45.7Very low213 Ų213124.6 Ų124.693%0.92681%0.808SS**PPolyproline II helixtrans-92.5152.6-169.7-62.1174.4-177.6173.50113.5
759S40.7Very low45.9Very low122 Ų122124.2 Ų124.285%0.85380%0.804SS**PPolyproline II helixtrans-81.2149.1178.346.10000114.5
760G50.6Low46.1Very low75 Ų75121.4 Ų121.477%0.77381%0.805SS**PPolyproline II helixtrans-90.8164170.300000113.1
761K39.5Very low46.4Very low210 Ų210123 Ų12391%0.91381%0.807SS**PPolyproline II helixtrans-89.9152.8-172.4-66.6-178.4178.8-179.90113.3
762P57.7Low47Very low133 Ų133123.1 Ų123.186%0.86481%0.808SS**PPolyproline II helixtrans-94.8159.6-170.737.2-37.1000115.8
763G41.3Very low47.4Very low75 Ų75126.4 Ų126.477%0.77383%0.825SS**  trans159.7140168.500000109.8
764Q39.5Very low47.5Very low196 Ų196127.6 Ų127.692%0.91683%0.833SS**  cis-133.2160.22.2-65.6173.3-3100110.4
765S45.9Very low47.6Very low126 Ų126127.3 Ų127.388%0.88183%0.83SS**  trans-87.4149.3161.245.20000110.3
766G45.2Very low47.7Very low78 Ų78122.5 Ų122.580%0.80482%0.815SS**  cis178.2171.6-5.800000110.9
767A38.8Very low48Very low101 Ų101122 Ų12284%0.83581%0.813SS**  trans-133.2156.3172.300000110.1
768V50.1Low47.8Very low151 Ų151121.9 Ų121.992%0.91581%0.811SS**PPolyproline II helixtrans-62.5138-169.1-178.70000111.7
769G45.9Very low48Very low69 Ų69119.2 Ų119.271%0.71181%0.807SS**PPolyproline II helixtrans-67.4142.2-17100000114.4
770A43.3Very low48.5Very low102 Ų102118.1 Ų118.184%0.84381%0.806SS**PPolyproline II helixtrans-73.7143166.700000110.6
771Q52.1Low48.3Very low190 Ų190118 Ų11889%0.88880%0.804SS**PPolyproline II helixtrans-59.6134.8174.4-169.4173.11700110.4
772G58.1Low48.4Very low58 Ų58119.4 Ų119.460%0.59881%0.805SS**PPolyproline II helixtrans-62.3145.3-178.900000112.2
773P48Very low47.9Very low123 Ų123117.8 Ų117.880%0.79980%0.803SS**PPolyproline II helixtrans-63.6139.1175.527.9-34.1000110.2
774P58.4Low48.2Very low128 Ų128117.1 Ų117.183%0.83180%0.796SS**PPolyproline II helixtrans-53.2144169.2-26.435.4000111.5
775G53.3Low48.6Very low71 Ų71113.6 Ų113.673%0.73279%0.791SS**PPolyproline II helixtrans-57.9143.8-177.100000112.6P777G775-P777 WeakPolarHBondContact O-CD 3.33Å
776K45.7Very low48.9Very low143 Ų143113.8 Ų113.862%0.62279%0.788SS**PPolyproline II helixtrans-60.8127.2170.9-66.7179.3178177.20108.8S624S624-K776 PolarHBondContact O-NZ 2.82Å; S624-K776 PolarHBondContact OG-NZ 2.82Å
777P59.6Low49.1Very low121 Ų121112.9 Ų112.979%0.78678%0.779SS**PPolyproline II helixtrans-56.8147161.2-21.834.2000110G775G775-P777 WeakPolarHBondContact O-CD 3.33Å
778G51.2Low49.2Very low75 Ų75114.2 Ų114.277%0.77378%0.78SS**PPolyproline II helixtrans-64.9150.1-178.400000113A780G778-A780 PolarHBondContact O-N 3.23Å
779D44.2Very low49.4Very low156 Ų156113 Ų11383%0.83478%0.777SS**PPolyproline II helixtrans-64.6125.1178.7-67-56000110.9
780A50.2Low49.3Very low100 Ų100112.9 Ų112.983%0.82678%0.776SS**PPolyproline II helixtrans-73.7144.1178.200000111.3G778G778-A780 PolarHBondContact O-N 3.23Å
781G46Very low49.1Very low72 Ų72115.7 Ų115.774%0.74278%0.776SS**PPolyproline II helixtrans-60.8152.6-18000000113.5A783G781-A783 PolarHBondContact O-N 3.12Å
782Y41.1Very low49.2Very low240 Ų240112.2 Ų112.294%0.94177%0.77SS**PPolyproline II helixtrans-53.9125.6179.2-65-84.9000111.7
783A48.8Very low48.9Very low99 Ų99112.4 Ų112.482%0.81877%0.771SS**PPolyproline II helixtrans-61.1138.6170.400000110.3G781G781-A783 PolarHBondContact O-N 3.12Å
784G47.8Very low48.6Very low61 Ų61112.5 Ų112.563%0.62977%0.772SS**PPolyproline II helixtrans-59.7158.3169.700000111.6
785P46.2Very low48.1Very low122 Ų122112.2 Ų112.279%0.79277%0.773SS**PPolyproline II helixtrans-57.6141.3176.726.3-34.5000110G787P785-G787 PolarHBondContact O-N 3.32Å
786P53.3Low47.8Very low129 Ų129111.6 Ų111.684%0.83877%0.767SS**PPolyproline II helixtrans-53.4129.7175.4-25.834.4000110.8
787G48.4Very low47.5Very low59 Ų59113.8 Ų113.861%0.60878%0.779SS**PPolyproline II helixtrans-56.8149.4171.900000110.5P785 S789P785-G787 PolarHBondContact O-N 3.32Å; G787-S789 PolarHBondContact O-N 3.28Å
788P42.2Very low47.3Very low130 Ų130114 Ų11484%0.84478%0.78SS**PPolyproline II helixtrans-54.9132.9176.425.3-34.1000109.1G790P788-G790 PolarHBondContact O-N 3.28Å
789S53.3Low47.1Very low124 Ų124113.7 Ų113.787%0.86778%0.778SS**PPolyproline II helixtrans-54.2118.7-179.1-55.80000109.5G787 I791G787-S789 PolarHBondContact O-N 3.28Å; S789-I791 PolarHBondContact O-N 3.29Å
790G45Very low46.9Very low67 Ų67114.2 Ų114.269%0.69178%0.78SS**PPolyproline II helixtrans-53.5138.4-178.300000110.5P788 P792P788-G790 PolarHBondContact O-N 3.28Å; G790-P792 WeakPolarHBondContact O-CD 3.33Å; G790-P792 VanDerWaalsContact O-N 3.14Å
791I38.1Very low47.2Very low162 Ų162115.2 Ų115.283%0.83178%0.778SS**PPolyproline II helixtrans-50.9123.8174.4-55.1173.1000106.8S789 G793S789-I791 PolarHBondContact O-N 3.29Å; I791-G793 PolarHBondContact O-N 3.04Å
792P55.3Low47.2Very low117 Ų117115.2 Ų115.276%0.7678%0.778SS**PPolyproline II helixtrans-52.6119.9177.7-27.735.5000109G790G790-P792 WeakPolarHBondContact O-CD 3.33Å; G790-P792 VanDerWaalsContact O-N 3.14Å
793G49.8Very low47.1Very low61 Ų61111.8 Ų111.863%0.62977%0.774SS**PPolyproline II helixtrans-55145.6-178.200000110.1I791 S795I791-G793 PolarHBondContact O-N 3.04Å; G793-S795 PolarHBondContact O-N 3.21Å; G793-S795 VanDerWaalsContact O-N 3.16Å
794P42.6Very low47Very low126 Ų126113 Ų11382%0.81877%0.766SS**PPolyproline II helixtrans-52.9128.3173.225.3-33.9000108.2G796P794-G796 PolarHBondContact O-N 2.74Å; P794-G796 VanDerWaalsContact O-N 3.09Å
795S48.7Very low46.8Very low121 Ų121111.7 Ų111.785%0.84675%0.754SS**PPolyproline II helixtrans-54.2122.3-179.7-177.90000108.2G793 E797G793-S795 PolarHBondContact O-N 3.21Å; G793-S795 VanDerWaalsContact O-N 3.16Å; S795-E797 PolarHBondContact O-N 2.83Å
796G47.1Very low46.5Very low59 Ų59113 Ų11361%0.60875%0.752SS**PPolyproline II helixtrans-53.2138.9-178.300000110.4P794P794-G796 PolarHBondContact O-N 2.74Å; P794-G796 VanDerWaalsContact O-N 3.09Å
797E38Very low45.8Very low188 Ų188113.7 Ų113.788%0.87975%0.749SS**PPolyproline II helixtrans-56132.3174.4-64.4-174.5130.300109S795 G799S795-E797 PolarHBondContact O-N 2.83Å; E797-G799 PolarHBondContact O-N 3.42Å
798P56.5Low45.6Very low125 Ų125113.7 Ų113.781%0.81275%0.749SS**PPolyproline II helixtrans-56.1118.9174.1-25.435000109.6L800P798-L800 PolarHBondContact O-N 3.22Å
799G46.6Very low45.3Very low70 Ų70113.2 Ų113.272%0.72274%0.744SS**PPolyproline II helixtrans-54.3137.1-179.300000111E797E797-G799 PolarHBondContact O-N 3.42Å
800L40.8Very low44.5Very low167 Ų167112.4 Ų112.487%0.87474%0.744SS**PPolyproline II helixtrans-50.6131.5177-68.2171000109.7P798 G802P798-L800 PolarHBondContact O-N 3.22Å; L800-G802 PolarHBondContact O-N 2.04Å
801P56Low44.3Very low120 Ų120112.6 Ų112.678%0.77975%0.746SS**PPolyproline II helixtrans-52.2130.4173.7-27.335.3000110.5I803P801-I803 PolarHBondContact O-N 3.02Å
802G46.2Very low44.1Very low72 Ų72109.7 Ų109.774%0.74275%0.747SS**PPolyproline II helixtrans-56.5129.5-177.300000111.4L800 D804L800-G802 PolarHBondContact O-N 2.04Å; G802-D804 PolarHBondContact O-N 2.83Å; G802-D804 VanDerWaalsContact O-N 3.16Å
803I38.8Very low43.4Very low169 Ų169113.1 Ų113.187%0.86775%0.753SS**  trans-74.6100.4172.943.6162.1000109.8P801 G805P801-I803 PolarHBondContact O-N 3.02Å; I803-G805 VanDerWaalsContact C-N 3.32Å; I803-G805 PolarHBondContact O-N 3.01Å
804D45.3Very low43.3Very low123 Ų123113.7 Ų113.766%0.65876%0.759SS**  trans-65.791.3169.2-85-37.5000110G802 I806 I965G802-D804 PolarHBondContact O-N 2.83Å; G802-D804 VanDerWaalsContact O-N 3.16Å; D804-I806 PolarHBondContact O-N 2.95Å; D804-I965 HydrophobicContact CB-CD1 3.59Å
805G43.6Very low43Very low35 Ų35112 Ų11236%0.36176%0.755SS.*  trans-75.1103.2-177.300000114.2I803 I965I803-G805 VanDerWaalsContact C-N 3.32Å; I803-G805 PolarHBondContact O-N 3.01Å; G805-I965 WeakPolarHBondContact O-CG1 3.31Å
806I40.5Very low43.2Very low150 Ų150112.6 Ų112.677%0.76976%0.756SS**  trans8.9140.2133.350.6161.5000117.2D804D804-I806 PolarHBondContact O-N 2.95Å
807N38.9Very low43.1Very low142 Ų142113.2 Ų113.276%0.75976%0.763SS**  cis-169.7173.136.1-145.5-20.7000112.9
808G43.9Very low42.9Very low59 Ų59112.1 Ų112.161%0.60876%0.763SS**  trans149.565.6167.300000114.9
809T35.3Very low42.6Very low121 Ų121112.4 Ų112.474%0.74277%0.765SS**  42.7127.892710000114.5
810A36.4Very low42.4Very low106 Ų106113 Ų11388%0.87677%0.771SS**  cis-150.7168.623.100000111.9
811G42.6Very low42.2Very low71 Ų71110.3 Ų110.373%0.73277%0.773SS**  cis-174.9-1586.300000115.1
812A33Very low41.5Very low102 Ų102113.8 Ų113.884%0.84378%0.779SS**  trans-61.7162.6170.600000110.9
813Q39.9Very low41.5Very low188 Ų188114 Ų11488%0.87978%0.781SS**  cis-158.8153.933.5177.9177.3-49.500112
814G48.7Very low41.6Very low74 Ų74111.3 Ų111.376%0.76378%0.784SS**  trans-171.165.7174.300000113.8
815A37.1Very low41.4Very low89 Ų89117.5 Ų117.574%0.73680%0.798SS**  trans-65.7148.3171.600000110.8
816P52.9Low41.4Very low135 Ų135119.4 Ų119.488%0.87782%0.817SS**  trans-80.8148.5-150.730.2-37.1000115.7
817G43.8Very low41.4Very low72 Ų72117.4 Ų117.474%0.74282%0.823SS**  trans-110.6150.9170.100000112.8
818N33.4Very low41.6Very low164 Ų164115.7 Ų115.788%0.87783%0.829SS**  trans-61.9148.5-169.3-58.4-54.6000114.8
819P50.1Low41.7Very low132 Ų132116.4 Ų116.486%0.85784%0.836SS**  trans-80.6132.8175.932.1-33.9000112.8
820G42.5Very low42.1Very low83 Ų83116.6 Ų116.686%0.85684%0.839SS**  trans140102.3151.100000118.1
821A37Very low42.6Very low110 Ų110117.7 Ų117.791%0.90984%0.837SS**  trans-149.3136.5147.100000108.7
822Q41.3Very low42.8Very low193 Ų193117.8 Ų117.890%0.90284%0.838SS**  trans-110.1110.7-168.9-174.6-178.4-4.500113.7
823G46.7Very low43.3Very low76 Ų76121.2 Ų121.278%0.78484%0.841SS**  trans35.2127.2146.600000122.6
824A40.3Very low43.5Very low112 Ų112120.7 Ų120.793%0.92684%0.844SS**  trans-88.3168.9156.500000112
825R41.7Very low43.1Very low254 Ų254121 Ų12196%0.95885%0.847SS**  trans-140.2141.8-166.2172.2-170.5176.9-157.61.1113.3
826G44.1Very low43.4Very low74 Ų74122 Ų12276%0.76386%0.856SS**  trans165.7145.7157.900000111.4
827A40.7Very low43.1Very low109 Ų109125.7 Ų125.790%0.90186%0.858SS**  cis-149.5-179.1-1400000108.5
828A41.7Very low43Very low106 Ų106125.2 Ų125.288%0.87685%0.853SS**  trans-136.5157.2-170.100000114.9
829G46.5Very low43.5Very low73 Ų73123.3 Ų123.375%0.75385%0.85SS**  trans99.9152167.100000114.5
830P43.1Very low43.6Very low126 Ų126123.1 Ų123.182%0.81885%0.849SS**  cis-119.4177.627.239.3-27.2000116
831P48.5Very low43.8Very low128 Ų128122.2 Ų122.283%0.83184%0.839SS**  trans-79.7169.7-177.7-12.830.9000115.4
832G46Very low44.2Very low73 Ų73125.1 Ų125.175%0.75384%0.84SS**  trans-90-165.5178.100000115.7
833I43.8Very low44.7Very low174 Ų174125.5 Ų125.589%0.89284%0.841SS**  trans-140.6145.3-179.651173.2000111.3
834D44.2Very low44.6Very low177 Ų177124.9 Ų124.995%0.94784%0.835SS**  trans-103159.2-173.8-65.4-60.1000114.2
835G39.8Very low45.2Very low81 Ų81125.4 Ų125.484%0.83583%0.829SS**  trans119.1149.2160.700000114.9
836A43.5Very low45.9Very low111 Ų111119.8 Ų119.892%0.91782%0.823SS**  cis-143.1-1758.600000112.8
837K45.5Very low45.9Very low211 Ų211116.7 Ų116.792%0.91779%0.791SS**  trans-127.6142.3-164.2167-173.1171.3-176.90114.1
838G41.7Very low46Very low63 Ų63117.2 Ų117.265%0.64979%0.785SS**  trans102.8176.4151.900000116.1
839P44.4Very low46.6Very low123 Ų123122.2 Ų122.280%0.79978%0.781SS**  cis-123.8174.32.341.7-28.9000114.8
840P53.2Low46.6Very low129 Ų129122.3 Ų122.384%0.83878%0.783SS**  trans-96.9153.7159.737.1-31000112.6
841G46.8Very low46.4Very low64 Ų64123.6 Ų123.666%0.6678%0.778SS**  trans-174.9157.6171.600000110.4
842D45Very low46.3Very low171 Ų171122.6 Ų122.691%0.91478%0.78SS**  cis-144.4159.8-2.8-81.4-41000110.9
843E51.3Low46.2Very low201 Ų201122.7 Ų122.794%0.93978%0.781SS**  trans-108.1148.1173.3-179.9-176.6-159.300111.1
844G45.3Very low46Very low63 Ų63120.6 Ų120.665%0.64978%0.779SS**  trans165.2177.7152.600000116.3
845P51.3Low46.3Very low123 Ų123124.1 Ų124.180%0.79978%0.779SS**  cis-123.9179.1-935.4-18000114.2
846T56.7Low46.6Very low136 Ų136123.6 Ų123.683%0.83477%0.774SS**  trans-101152-154.1-41.20000116.9G497G497-T846 CarbonylContact O-C 3.54Å
847G45.5Very low46.5Very low9 Ų9124.7 Ų124.79%0.09377%0.769CS.*  trans-118.6155.3166.800000112.8G497G497-G847 PolarHBondContact O-N 3.22Å
848P43.3Very low46.6Very low120 Ų120122.4 Ų122.478%0.77976%0.762SS**  trans-101.3166.5-146.937.7-37.6000119.2P495P495-P848 WeakPolarHBondContact CG-O 3.2Å
849R53.4Low47.1Very low210 Ų210122.8 Ų122.879%0.79277%0.766SS**  trans-70142.7-173.1175-175.1-179.7-175.71.6116.2
850G45.4Very low47Very low76 Ų76125.3 Ų125.378%0.78476%0.764SS**  trans-139.5145.7164.600000111.2
851Q39Very low46.8Very low152 Ų152127 Ų12771%0.7177%0.767SS**  trans-113.2148.5-159.6-58.6-179.213.100116
852A47.4Very low46.4Very low107 Ų107127.4 Ų127.488%0.88477%0.77SS**  trans68127.714400000121.9
853G43.5Very low46.2Very low75 Ų75126.9 Ų126.977%0.77377%0.767SS**  trans-156.6143.3160.600000109.8
854P40.6Very low46.1Very low131 Ų131123.5 Ų123.585%0.85176%0.762SS**  trans-103.8150.2-160.637.8-35.4000117.5
855R50.5Low46.3Very low250 Ų250123.5 Ų123.594%0.94376%0.762SS**  trans10.397.6155.3-168.7-176.7-178.21741.3119.9
856G44.7Very low45.8Very low71 Ų71125.3 Ų125.373%0.73276%0.764SS**  87.7158104.800000122.1
857T42.6Very low45.4Very low133 Ų133127.3 Ų127.382%0.81676%0.764SS**  trans-149.1114150.828.70000107.5
858Q47.4Very low45.2Very low164 Ų164130.2 Ų130.277%0.76680%0.795SS**  75.8105.1107.5-172.3175.1800114.8
859G51Low45Very low71 Ų71134.7 Ų134.773%0.73280%0.802SS**  trans-84.2173.4161.200000112.2
860K42.7Very low44.6Very low175 Ų175132.9 Ų132.976%0.76180%0.804SS**  trans-142.9111.2169.8-58.4-179.8-172.3177.40108.1
861D50Low44.5Very low166 Ų166132.7 Ų132.789%0.88880%0.802SS**  trans37.4141.2137-46.2-37.7000120.3
862G38Very low44.5Very low71 Ų71129.8 Ų129.873%0.73280%0.804SS**  cis-140.8145.230.800000118.1
863L41.1Very low44.3Very low161 Ų161131 Ų13184%0.84380%0.803SS**  trans-92.9154.5136.8-71.8170.5000106.6
864P49.6Very low44.1Very low129 Ų129130.9 Ų130.984%0.83880%0.802SS**  -129.813965.719.22.3000114.8
865G49.1Very low44Very low64 Ų64136.9 Ų136.966%0.6681%0.807SS**  trans-104.2125.5161.500000111
866L40.4Very low43.6Very low160 Ų160131.2 Ų131.284%0.83880%0.803SS**  trans-151.6146.3170.7-71.9179.8000107.3
867Q47.7Very low43.4Very low178 Ų178131.6 Ų131.683%0.83281%0.807SS**  cis-153.7139.8-15.9180174.91.700106.2
868G40.9Very low43.2Very low71 Ų71130.6 Ų130.673%0.73281%0.812SS**  trans-73.2158.9-167.900000115.2
869K39.1Very low43Very low214 Ų214135 Ų13593%0.9382%0.822SS**  trans-98.693.4158.4-79-172.7176.8177.70110.4
870M46.3Very low42.6Very low172 Ų172135.3 Ų135.385%0.84783%0.825SS**  trans-16.4126.2152.7173.2176.362.700114.4A872M870-A872 PolarHBondContact O-N 3.17Å
871G42.3Very low42.7Very low72 Ų72132.7 Ų132.774%0.74283%0.829SS**PPolyproline II helixtrans-69.3127.1167.500000110.9
872A40.2Very low42.3Very low91 Ų91129.6 Ų129.675%0.75283%0.826SS**PPolyproline II helixtrans-94.4123.3171.800000109.8M870M870-A872 PolarHBondContact O-N 3.17Å
873P43.8Very low42.3Very low131 Ų131129.6 Ų129.685%0.85183%0.826SS**PPolyproline II helixtrans-61.2153.5174.1-25.236000113.3
874G37.9Very low42.5Very low73 Ų73128.7 Ų128.775%0.75383%0.827SS**PPolyproline II helixtrans-80.2173.7-167.100000116.6
875R39.1Very low42.2Very low257 Ų257130.9 Ų130.997%0.9783%0.829SS**  trans-104.1117.9165.5-77.1-172.5171.3-161.8-2.1110.2
876P41.9Very low41.8Very low131 Ų131130.8 Ų130.885%0.85183%0.828SS**  trans-79.3149.2175.5-13.629.5000113.4
877G40.2Very low41.9Very low79 Ų79130.2 Ų130.281%0.81483%0.83SS**  trans108.5111138.600000118.6
878A39.4Very low41.8Very low112 Ų112127.9 Ų127.993%0.92683%0.831SS**  -117.4139.1123.600000107.2
879R42.4Very low42.2Very low256 Ų256127.9 Ų127.997%0.96683%0.83SS**  trans-128.1124.1-168.6172.3-172.1175.4-172.9-0.2110.7
880G43.3Very low42.4Very low78 Ų78123.9 Ų123.980%0.80483%0.826SS**  trans150.1143.6165.600000112.1
881S44.1Very low42.5Very low120 Ų120124.9 Ų124.984%0.83983%0.829SS**  cis-114.8151.3146.50000112.6
882A42.7Very low42.5Very low101 Ų101124.7 Ų124.784%0.83583%0.827SS**  trans-76.8153.4158.700000108.5
883G37.5Very low42.3Very low71 Ų71130.2 Ų130.273%0.73283%0.834SS**  128148.874.700000106.5
884V44.7Very low42.6Very low143 Ų143132.3 Ų132.387%0.86784%0.836SS**  -143.6145.755.8-155.10000112.3
885M42.9Very low43Very low175 Ų175131.9 Ų131.986%0.86283%0.832SS**  trans-42.4149.2151-179.6174.163.300112.4
886G40.3Very low43.2Very low62 Ų62126 Ų12664%0.63983%0.827SS**  cis131.51407.200000110.4
887V42.3Very low43.7Very low148 Ų148125.5 Ų125.590%0.89783%0.826SS**  trans-136.8118.5174.1-169.10000110.4
888P47.5Very low44Very low129 Ų129125.2 Ų125.284%0.83882%0.823SS**  trans-93.4156.9-178.4-7.826.9000115.8
889G48.3Very low44.1Very low70 Ų70130 Ų13072%0.72282%0.823SS**  trans102.1146.6153.700000115.9
890P44.5Very low44.5Very low131 Ų131126.8 Ų126.885%0.85182%0.819SS**  cis-123.814328.937.9-25000117.7
891Q47.6Very low45.1Very low193 Ų193125.8 Ų125.890%0.90281%0.809SS**  trans-11.5115150.7-177.5176.9-8.300119.8
892G42.8Very low45.2Very low67 Ų67126.4 Ų126.469%0.69181%0.81SS**  77.4127.1111.700000121.6
893K36.2Very low45.7Very low207 Ų207129.3 Ų129.390%0.981%0.807SS**  trans-130.6137.4145.4-70.7-178.8-178.3171.40108.5
894I48.3Very low46.5Very low175 Ų175128.6 Ų128.690%0.89780%0.799SS**  trans-114.1142.3-177.2-69.5174.1000109.9
895G47.3Very low46.6Very low65 Ų65128.2 Ų128.267%0.6780%0.799SS**  trans83.5170.5166.300000115.7
896P43.4Very low47.1Very low134 Ų134124.3 Ų124.387%0.8779%0.79SS**  cis-90.7-178.19.936.8-36.4000114.9
897S53.2Low47.8Very low119 Ų119124 Ų12483%0.83279%0.786SS**PPolyproline II helixtrans-62.3169.1-176.7-57.10000115
898G45.2Very low47.9Very low73 Ų73123.3 Ų123.375%0.75379%0.785SS**PPolyproline II helixtrans-58.6152.1169.600000112.2E900G898-E900 PolarHBondContact O-N 2.81Å
899K41.8Very low48.3Very low212 Ų212123.8 Ų123.892%0.92279%0.785SS**PPolyproline II helixtrans-68.7127.2171-65.6-174.5178.7-174.40108.6
900E50.9Low48.4Very low190 Ų190123 Ų12389%0.88878%0.777SS**PPolyproline II helixtrans-53.2141.1168.8-160.3152.9-141.500109.6G898G898-E900 PolarHBondContact O-N 2.81Å
901G55.9Low48.4Very low57 Ų57123.2 Ų123.259%0.58878%0.778SS**PPolyproline II helixtrans-65.6147.1173.300000109.5E903G901-E903 PolarHBondContact O-N 2.96Å
902P46.6Very low48.5Very low132 Ų132119.8 Ų119.886%0.85777%0.772SS**PPolyproline II helixtrans-55.6131.316726.6-33.3000108.2G904P902-G904 PolarHBondContact O-N 3.15Å
903E52Low48.6Very low163 Ų163119.8 Ų119.876%0.76277%0.773SS**PPolyproline II helixtrans-53.9123.9-176.4-164.4-17615300109.6G901 S906G901-E903 PolarHBondContact O-N 2.96Å; E903-S906 PolarHBondContact OE1-OG 3.05Å
904G54.8Low49.1Very low56 Ų56115.9 Ų115.958%0.57777%0.768SS**PPolyproline II helixtrans-60.8136.8171.800000108.4P902 S906P902-G904 PolarHBondContact O-N 3.15Å; G904-S906 PolarHBondContact O-N 3.46Å
905P47.2Very low49.3Very low134 Ų134113.2 Ų113.287%0.8776%0.763SS**  trans-55.4114.8-172.322.2-33.4000110.2G907P905-G907 PolarHBondContact O-N 3.31Å
906S54.4Low49.2Very low94 Ų94113.8 Ų113.866%0.65777%0.769SS**PPolyproline II helixtrans-55.2123.4180-890000109.6E903 G904E903-S906 PolarHBondContact OE1-OG 3.05Å; G904-S906 PolarHBondContact O-N 3.46Å
907G54.5Low49.1Very low55 Ų55112.5 Ų112.557%0.56776%0.758SS**PPolyproline II helixtrans-58.5155.717700000111.5P905 V909P905-G907 PolarHBondContact O-N 3.31Å; G907-V909 PolarHBondContact O-N 3.37Å; G907-V909 VanDerWaalsContact O-N 3.12Å
908P44.2Very low48.6Very low134 Ų134114 Ų11487%0.8776%0.757SS**PPolyproline II helixtrans-58.3119.8-171.723.4-34.2000111.6G910P908-G910 PolarHBondContact O-N 3.48Å
909V55.7Low48.7Very low139 Ų139114 Ų11484%0.84276%0.757SS**  trans-68.8103173.1178.10000108.4G907G907-V909 PolarHBondContact O-N 3.37Å; G907-V909 VanDerWaalsContact O-N 3.12Å
910G51.2Low48.5Very low53 Ų53112.7 Ų112.755%0.54676%0.755SS.*  trans-62.7149.6169.100000111.3P908 P912P908-G910 PolarHBondContact O-N 3.48Å; G910-P912 WeakPolarHBondContact O-CD 3.31Å
911P43.8Very low48.4Very low135 Ų135111 Ų11188%0.87776%0.757SS**  trans-85.2131.1-167.232-35.8000114.6
912P48.9Very low48Very low121 Ų121112 Ų11279%0.78677%0.767SS**  trans-128.1152145.438.1-28.6000111G910G910-P912 WeakPolarHBondContact O-CD 3.31Å
913G45.1Very low47.8Very low68 Ų68109.7 Ų109.770%0.70177%0.767SS**  cis173.9141.1-6.400000108.5
914P47.7Very low47.6Very low124 Ų124107.2 Ų107.281%0.80577%0.774SS**  trans-85.3171.5178.336.6-36.6000111.8
915P51.6Low47.3Very low119 Ų119107.9 Ų107.977%0.77378%0.782SS**  cis-127.8-166.3-14.339-21.9000112.3
916G45.4Very low47.5Very low78 Ų78107.5 Ų107.580%0.80478%0.779SS**  trans-143.5128.2152.700000109.2
917T41.4Very low47.5Very low106 Ų106110.3 Ų110.365%0.6579%0.792SS**  trans-110.1170.1-175.651.90000112.1
918D42.1Very low47.4Very low150 Ų150111 Ų11180%0.80280%0.799SS**  trans76150.8161.4-47-51.9000116.7
919G46.5Very low47.2Very low73 Ų73114 Ų11475%0.75380%0.801SS**  cis-120.1160.87.600000116
920E37.7Very low46.6Very low186 Ų186112.3 Ų112.387%0.86980%0.802SS**  trans-79.9-158.6167.9-54.8-175.810800112
921V48.9Very low46.4Very low155 Ų155113.6 Ų113.694%0.93982%0.815SS**  trans81120.4178-169.20000113.9
922G47.4Very low46.2Very low77 Ų77112.7 Ų112.779%0.79481%0.812SS**  cis-177.5164.2-3.500000111.7
923G43.1Very low46Very low84 Ų84113 Ų11387%0.86681%0.814SS**  trans-131.9147.6-173.600000115.1
924A48.5Very low46.2Very low110 Ų110113.4 Ų113.491%0.90982%0.819SS**  trans-169.9151.916100000107.8
925G49.1Very low45.8Very low71 Ų71117.1 Ų117.173%0.73283%0.825SS**  cis-162.1175.8-3.500000111.1
926P51.2Low45.5Very low126 Ų126120.8 Ų120.882%0.81883%0.832SS**  trans-103.9168.5-163.939.7-36.4000115.5
927V52.7Low45.8Very low153 Ų153120.4 Ų120.493%0.92783%0.828SS**  trans166.1139.6147.31480000107.8
928G52.6Low45.8Very low69 Ų69123.7 Ų123.771%0.71184%0.84SS**  cis-167.5-169.7100000114.1
929E41.6Very low46.3Very low197 Ų197122.4 Ų122.492%0.92184%0.84SS**  trans-75.6165.5-169.1-69.5173.7143.300115.1
930A42.8Very low46.2Very low103 Ų103122.6 Ų122.685%0.85184%0.842SS**  cis-167.7170.3-19.600000109.7
931G46.3Very low46.5Very low80 Ų80122.9 Ų122.983%0.82584%0.844SS**  trans-164106.9172.400000113.4
932S39Very low46.5Very low116 Ų116126.5 Ų126.581%0.81184%0.84SS**  trans-104.7171.3177.464.50000111.6
933P46.2Very low46.7Very low127 Ų127126.1 Ų126.183%0.82584%0.837SS**  cis-132.2175.22.741.4-25.8000115.1
934G47.5Very low46.8Very low78 Ų78130.7 Ų130.780%0.80484%0.84SS**  trans-173.786.8168.100000113.1Q936G934-Q936 PolarHBondContact O-N 2.72Å
935Q41Very low46.8Very low202 Ų202133.8 Ų133.894%0.94484%0.836SS**  trans-82.8100.7176.2-74.9-174.1-9.600111.6
936Q45Very low47.3Very low196 Ų196133.1 Ų133.192%0.91683%0.829SS**  trans-158.5137.7154.1-158.6166.1-8.600112.9G934G934-Q936 PolarHBondContact O-N 2.72Å
937G50.2Low47.5Very low70 Ų70132.9 Ų132.972%0.72283%0.827SS**  trans90128.317000000114.9
938L43.3Very low47.7Very low174 Ų174131 Ų13191%0.91182%0.818SS**  trans-71.7139.7167.7-72.1165.8000109.5G940L938-G940 PolarHBondContact O-N 2.85Å
939P52Low47.9Very low123 Ų123130.8 Ų130.880%0.79982%0.816SS**  trans-58.3132.5177.9-25.335000112.5
940G44.5Very low48.5Very low77 Ų77127.4 Ų127.479%0.79481%0.811SS**  trans-87.1111.6-179.800000112.7L938 R942L938-G940 PolarHBondContact O-N 2.85Å; G940-R942 PolarHBondContact O-N 3.06Å
941E44.1Very low49.1Very low192 Ų192126.1 Ų126.190%0.89781%0.808SS**  trans-80.793.9170.5-72.5-159.9131.100112.6
942R49.2Very low49.4Very low231 Ų231125.8 Ų125.887%0.87281%0.805SS**  trans-157.6122.7137.3-168.5154.7-67.3-167.6-1.3111.8G940G940-R942 PolarHBondContact O-N 3.06Å
943G50.8Low49.7Very low70 Ų70128.9 Ų128.972%0.72281%0.806SS**  trans-65.2153.4170.100000112.9
944L45.8Very low50.4Low179 Ų179128.8 Ų128.894%0.93781%0.806SS**  trans-41.5142.5-172.5-61.6168.3000116.4
945Q48.2Very low50.9Low176 Ų176128 Ų12882%0.82280%0.798SS**PPolyproline II helixtrans-68.6125.3173.8173.2175.518.500111.8
946G59.8Low51.6Low56 Ų56124.2 Ų124.258%0.57779%0.79SS**PPolyproline II helixtrans-68.8144.8162.300000111.1
947P54Low52.6Low121 Ų121120.7 Ų120.779%0.78678%0.784SS**PPolyproline II helixtrans-62.5150.8-176.226.6-34.9000111.7G949P947-G949 PolarHBondContact O-N 2.92Å
948P58.7Low52.8Low114 Ų114120.2 Ų120.274%0.7478%0.78SS**PPolyproline II helixtrans-58.3126.5178.9-22.733.4000111.5
949G56.3Low53.2Low64 Ų64118.1 Ų118.166%0.6678%0.777SS**PPolyproline II helixtrans-59.8138.5163.800000109.3P947 G951P947-G949 PolarHBondContact O-N 2.92Å; G949-G951 PolarHBondContact O-N 2.79Å
950P52.9Low53.5Low127 Ų127117.7 Ų117.783%0.82578%0.777SS**PPolyproline II helixtrans-58.1136.9179.325.1-33.8000109.8G952P950-G952 PolarHBondContact O-N 3.48Å
951G55.5Low53.9Low76 Ų76116.8 Ų116.878%0.78477%0.767SS**PPolyproline II helixtrans-60.7120.7-178.300000110.6G949 E953G949-G951 PolarHBondContact O-N 2.79Å; G951-E953 PolarHBondContact O-N 3.02Å
952G52.4Low54.1Low73 Ų73113.7 Ų113.775%0.75376%0.764SS**PPolyproline II helixtrans-57.9128.3168.800000109.2P950P950-G952 PolarHBondContact O-N 3.48Å
953E46Very low54.5Low181 Ų181110.2 Ų110.285%0.84676%0.761SS**PPolyproline II helixtrans-56137.1-178.1-62.9-176.4123.600110G951 G955G951-E953 PolarHBondContact O-N 3.02Å; E953-G955 PolarHBondContact O-N 3.09Å
954P61.5Low54.4Low125 Ų125109.1 Ų109.181%0.81275%0.751SS**PPolyproline II helixtrans-55118.8168.4-22.433.3000108.4
955G57.1Low54.4Low62 Ų62104.5 Ų104.564%0.63973%0.726SS**PPolyproline II helixtrans-51.4136.517900000109.8E953E953-G955 PolarHBondContact O-N 3.09Å
956P56.2Low55.1Low121 Ų121101.1 Ų101.179%0.78672%0.719SS**PPolyproline II helixtrans-54136.4-172.422.1-33.6000109.5G958P956-G958 PolarHBondContact O-N 3.23Å; P956-G958 VanDerWaalsContact O-N 3.15Å
957P65.4Low54.9Low122 Ų122101.1 Ų101.179%0.79272%0.72SS**PPolyproline II helixtrans-49.5126.9177.3-2835000110
958G55.4Low54.8Low61 Ų61101.4 Ų101.463%0.62972%0.721SS**PPolyproline II helixtrans-52.1134.5171.100000108.2P956 S960P956-G958 PolarHBondContact O-N 3.23Å; P956-G958 VanDerWaalsContact O-N 3.15Å; G958-S960 PolarHBondContact O-N 2.68Å; G958-S960 VanDerWaalsContact O-N 3.13Å
959P51.5Low54.7Low129 Ų129103.8 Ų103.884%0.83873%0.728SS**PPolyproline II helixtrans-54.6125.2-167.921.9-33.6000109.5G961P959-G961 PolarHBondContact O-N 2.88Å
960S58.7Low54.4Low115 Ų115103.7 Ų103.780%0.80473%0.726SS**PPolyproline II helixtrans-49.9131.7177.1-57.10000109.4G958G958-S960 PolarHBondContact O-N 2.68Å; G958-S960 VanDerWaalsContact O-N 3.13Å
961G52.9Low54.2Low57 Ų57103.7 Ų103.759%0.58873%0.727SS**PPolyproline II helixtrans-52.1151.9163.300000109.5P959 L963P959-G961 PolarHBondContact O-N 2.88Å; G961-L963 PolarHBondContact O-N 2.9Å
962P47.7Very low54.2Low127 Ų127105.9 Ų105.983%0.82573%0.73SS**PPolyproline II helixtrans-50.7138.1-179.421.9-31.9000109.9G964P962-G964 PolarHBondContact O-N 2.87Å
963L57.6Low54.1Low158 Ų158105.3 Ų105.383%0.82772%0.724SS**  trans-60.1110.1-176-158.885.8000108.4G961 I965G961-L963 PolarHBondContact O-N 2.9Å; L963-I965 PolarHBondContact O-N 2.84Å
964G48.9Very low54.2Low48 Ų48102.9 Ų102.950%0.49572%0.724SS.*PPolyproline II helixtrans-53.9129.5170.500000108.2P962P962-G964 PolarHBondContact O-N 2.87Å
965I45Very low53.8Low81 Ų81107.9 Ų107.942%0.41573%0.726SS.*PPolyproline II helixtrans-62.9137-170-59.997.6000108.4D804 G805 L963 G967D804-I965 HydrophobicContact CB-CD1 3.59Å; G805-I965 WeakPolarHBondContact O-CG1 3.31Å; L963-I965 PolarHBondContact O-N 2.84Å; I965-G967 PolarHBondContact O-N 2.97Å
966P64Low53.5Low105 Ų105107.9 Ų107.968%0.68273%0.726SS**PPolyproline II helixtrans-50.7117.9171.7-26.835.1000109.2
967G55.6Low52.9Low57 Ų57111.3 Ų111.359%0.58873%0.732SS**PPolyproline II helixtrans-53.7138170.500000108.1I965 D969I965-G967 PolarHBondContact O-N 2.97Å; G967-D969 PolarHBondContact O-N 2.78Å
968P51.9Low52.2Low127 Ų127111.5 Ų111.583%0.82573%0.731SS**PPolyproline II helixtrans-53.9132.2-176.523.5-34000109.2G970P968-G970 PolarHBondContact O-N 3.31Å
969D56.9Low51.9Low164 Ų164111.5 Ų111.588%0.87773%0.73SS**  trans-47.4113.5-175.7-75.7-55.2000109.8G967G967-D969 PolarHBondContact O-N 2.78Å
970G50.4Low51.5Low61 Ų61112.6 Ų112.663%0.62973%0.73SS**  trans-55.5132.1-179.800000108.5P968 S972P968-G970 PolarHBondContact O-N 3.31Å; G970-S972 PolarHBondContact O-N 3.4Å
971P48.4Very low51.6Low128 Ų128112.9 Ų112.983%0.83173%0.728SS**  trans-54.4116.8-170.221.4-33.4000109.4G973P971-G973 PolarHBondContact O-N 3.11Å
972S54.6Low51.2Low122 Ų122113.4 Ų113.485%0.85373%0.734SS**  trans-46.1110.4-174.4-66.70000109.8G970G970-S972 PolarHBondContact O-N 3.4Å
973G50.5Low51.1Low61 Ų61115.4 Ų115.463%0.62974%0.736SS**  trans-52.3138.5-17100000110.4P971 R975P971-G973 PolarHBondContact O-N 3.11Å; G973-R975 PolarHBondContact O-N 3.46Å
974P48.6Very low50.6Low129 Ų129115.7 Ų115.784%0.83874%0.739SS**  trans-52.6123.5-177.622.3-33.1000108.5G976P974-G976 PolarHBondContact O-N 3.38Å
975R53.3Low50.6Low230 Ų230116.8 Ų116.887%0.86875%0.75SS**  trans-48.5111-179.7172.7-177.8176.3170.6-0.6107.9G973 E977G973-R975 PolarHBondContact O-N 3.46Å; R975-E977 PolarHBondContact O-N 3.33Å
976G49.9Very low50.6Low62 Ų62117.4 Ų117.464%0.63977%0.767SS**  trans-49.5134.2-173.500000110.8P974 V978P974-G976 PolarHBondContact O-N 3.38Å; G976-V978 PolarHBondContact O-N 3.21Å
977E43.9Very low50.1Low193 Ų193119 Ų11990%0.90278%0.777SS**  trans-55.2139.2177.7-63.7-173.5136.600108.9R975 G979R975-E977 PolarHBondContact O-N 3.33Å; E977-G979 PolarHBondContact O-N 3.37Å
978V51.7Low49.8Very low127 Ų127119.9 Ų119.977%0.7779%0.786SS**  trans-68101.9-178.6176.90000107G976G976-V978 PolarHBondContact O-N 3.21Å
979G48Very low49.6Very low60 Ų60117.5 Ų117.562%0.61979%0.785SS**PPolyproline II helixtrans-53.7141.3176.100000110.5E977E977-G979 PolarHBondContact O-N 3.37Å
980D43.5Very low48.9Very low153 Ų153120.1 Ų120.182%0.81879%0.788SS**PPolyproline II helixtrans-49.5135.5-173.4-68.2-68000111.6G982D980-G982 PolarHBondContact O-N 3.1Å
981P59.7Low48.5Very low120 Ų120120.2 Ų120.278%0.77979%0.789SS**PPolyproline II helixtrans-51.8118.7-178.8-28.835.7000111.5I983P981-I983 PolarHBondContact O-N 2.81Å
982G46.2Very low48.1Very low69 Ų69123.4 Ų123.471%0.71179%0.793SS**PPolyproline II helixtrans-56.5127.3-178.200000110.9D980 D984D980-G982 PolarHBondContact O-N 3.1Å; G982-D984 PolarHBondContact O-N 2.76Å
983I44.9Very low47.6Very low169 Ų169125.9 Ų125.987%0.86780%0.797SS**PPolyproline II helixtrans-51.8124.7177.546171000111.1P981 G985P981-I983 PolarHBondContact O-N 2.81Å; I983-G985 PolarHBondContact O-N 3.44Å
984D47.3Very low47.5Very low164 Ų164126.3 Ų126.388%0.87780%0.802SS**PPolyproline II helixtrans-57.3126.3-176.1-80.6-54000111.7G982 A986G982-D984 PolarHBondContact O-N 2.76Å; D984-A986 PolarHBondContact O-N 2.62Å
985G48.3Very low47.3Very low71 Ų71129 Ų12973%0.73280%0.803SS**PPolyproline II helixtrans-67.2118.1-179.300000112I983I983-G985 PolarHBondContact O-N 3.44Å
986A45.8Very low47.5Very low93 Ų93124.2 Ų124.277%0.76980%0.802SS**PPolyproline II helixtrans-59.3129176.500000111.5D984 G988D984-A986 PolarHBondContact O-N 2.62Å; A986-G988 PolarHBondContact O-N 3.03Å
987P53.9Low47.6Very low139 Ų139124.7 Ų124.790%0.90381%0.806SS**  trans-65.5102.7-179.5-24.835.2000113
988G48.2Very low47.8Very low75 Ų75123.4 Ų123.477%0.77381%0.805SS**  trans-94.8114.6-17500000114.9A986A986-G988 PolarHBondContact O-N 3.03Å
989G47.9Very low48.2Very low78 Ų78123.2 Ų123.280%0.80481%0.806SS**  trans63.1109.5146.900000119.5G991G989-G991 PolarHBondContact O-N 2.93Å
990K42.1Very low48.4Very low218 Ų218123.8 Ų123.895%0.94881%0.812SS**  trans-85.8104.3164.7-176.7-170.2171.9-175.90111.7
991G41Very low48.6Very low63 Ų63128 Ų12865%0.64982%0.817SS**  trans90.1123.5140.700000119G989G989-G991 PolarHBondContact O-N 2.93Å
992E40.5Very low48.5Very low195 Ų195127.8 Ų127.891%0.91182%0.815SS**  -121.9140.9125.3-70.2-165.1134.300107.4G994E992-G994 PolarHBondContact O-N 2.02Å
993D44Very low48.7Very low175 Ų175127.9 Ų127.994%0.93682%0.817SS**  trans-78.892.5-177-76-39000111.2
994G49Very low48.7Very low70 Ų70129.6 Ų129.672%0.72282%0.818SS**PPolyproline II helixtrans-62.7142.4171.900000112.6E992E992-G994 PolarHBondContact O-N 2.02Å
995Q43.3Very low48.9Very low185 Ų185128.8 Ų128.886%0.86481%0.813SS**PPolyproline II helixtrans-55.2144.7-175.1-66.9179.4-9.400113G997Q995-G997 PolarHBondContact O-N 2.84Å; Q995-G997 VanDerWaalsContact O-N 3.1Å
996P59.3Low49.1Very low130 Ų130128.9 Ų128.984%0.84481%0.814SS**PPolyproline II helixtrans-52.3118.4177.2-27.935.4000112.3L998P996-L998 PolarHBondContact O-N 2.78Å
997G51.3Low49Very low71 Ų71129.6 Ų129.673%0.73281%0.814SS**PPolyproline II helixtrans-58.5131.6-178.800000111.7Q995Q995-G997 PolarHBondContact O-N 2.84Å; Q995-G997 VanDerWaalsContact O-N 3.1Å
998L47.8Very low49.1Very low166 Ų166128.9 Ų128.987%0.86981%0.809SS**PPolyproline II helixtrans-54135.9174.3-70.1170.9000109.9P996 G1000P996-L998 PolarHBondContact O-N 2.78Å; L998-G1000 PolarHBondContact O-N 2.84Å
999P59.2Low49.3Very low123 Ų123128.9 Ų128.980%0.79981%0.809SS**PPolyproline II helixtrans-49.5129.9-177-30.835.9000112.5R1001P999-R1001 PolarHBondContact O-N 2.87Å
1000G53.8Low49.2Very low73 Ų73136.9 Ų136.975%0.75382%0.815SS**PPolyproline II helixtrans-52.9125.4-173.100000111.7L998L998-G1000 PolarHBondContact O-N 2.84Å
1001R46.4Very low49.7Very low242 Ų242135.3 Ų135.391%0.91381%0.811SS**PPolyproline II helixtrans-57128.7173.7-70.4-174.3176.7-162.3-1.3108.1P999 G1003P999-R1001 PolarHBondContact O-N 2.87Å; R1001-G1003 PolarHBondContact O-N 2.98Å
1002P57.8Low50.4Low114 Ų114135.3 Ų135.374%0.7481%0.811SS**PPolyproline II helixtrans-50.8142.2178.3-29.435.8000111.7K1004P1002-K1004 PolarHBondContact O-N 2.97Å
1003G51.8Low50.5Low72 Ų72135.9 Ų135.974%0.74281%0.81SS**PPolyproline II helixtrans-51.2131.7177.100000110.5R1001 D1005R1001-G1003 PolarHBondContact O-N 2.98Å; G1003-D1005 PolarHBondContact O-N 3.11Å
1004K44.5Very low50.9Low205 Ų205133.1 Ų133.189%0.89181%0.805SS**PPolyproline II helixtrans-73.2120.1172.3-59.6178-173.3175.10107P1002 G1006P1002-K1004 PolarHBondContact O-N 2.97Å; K1004-G1006 PolarHBondContact O-N 2.9Å
1005D51Low51.3Low146 Ų146132.6 Ų132.678%0.78180%0.799SS**PPolyproline II helixtrans-53.6135171-62.4-57.5000109.3G1003 S1007G1003-D1005 PolarHBondContact O-N 3.11Å; D1005-S1007 PolarHBondContact O-N 3.23Å
1006G51.8Low51.5Low73 Ų73130 Ų13075%0.75380%0.799SS**PPolyproline II helixtrans-58.9126.9-176.100000110.8K1004K1004-G1006 PolarHBondContact O-N 2.9Å
1007S43.5Very low51.5Low109 Ų109133 Ų13376%0.76280%0.801SS**PPolyproline II helixtrans-53.5129.4171.353.20000109.1D1005 G1009D1005-S1007 PolarHBondContact O-N 3.23Å; S1007-G1009 PolarHBondContact O-N 2.93Å
1008P56.3Low51.5Low123 Ų123132.9 Ų132.980%0.79980%0.8SS**PPolyproline II helixtrans-48.7134.5175.9-29.235.7000110.7R1010P1008-R1010 PolarHBondContact O-N 3Å
1009G54Low51.3Low75 Ų75134 Ų13477%0.77380%0.801SS**PPolyproline II helixtrans-52.8132.4-178.700000110.1S1007 Q1011S1007-G1009 PolarHBondContact O-N 2.93Å; G1009-Q1011 PolarHBondContact O-N 3.45Å
1010R45.1Very low50.8Low247 Ų247137.9 Ų137.993%0.93281%0.805SS**PPolyproline II helixtrans-53.3119.9175.2-116.3-175175.9-177.3-0.4108P1008 G1012P1008-R1010 PolarHBondContact O-N 3Å; R1010-G1012 PolarHBondContact O-N 3.06Å
1011Q52.9Low50.6Low185 Ų185137.7 Ų137.786%0.86480%0.803SS**PPolyproline II helixtrans-51.3126.3166.9-173.8173.71.800107.4G1009 K1013G1009-Q1011 PolarHBondContact O-N 3.45Å; Q1011-K1013 PolarHBondContact O-N 2.64Å
1012G56Low50.2Low63 Ų63138.2 Ų138.265%0.64981%0.805SS**PPolyproline II helixtrans-56.6140.8179.900000109.3R1010 S1014R1010-G1012 PolarHBondContact O-N 3.06Å; G1012-S1014 PolarHBondContact O-N 2.8Å
1013K42.7Very low50.1Low206 Ų206139.6 Ų139.690%0.89681%0.811SS**PPolyproline II helixtrans-57.3131.1164.7-68.8-174.9176.4-173.90107.1Q1011 G1015Q1011-K1013 PolarHBondContact O-N 2.64Å; K1013-G1015 PolarHBondContact O-N 3.09Å
1014S52.3Low50.3Low117 Ų117138.5 Ų138.582%0.81880%0.8SS**PPolyproline II helixtrans-51.4132.5164.527.80000108.6G1012G1012-S1014 PolarHBondContact O-N 2.8Å
1015G55.6Low50.5Low59 Ų59134.5 Ų134.561%0.60880%0.795SS**PPolyproline II helixtrans-63153.6173.900000110.1K1013 Q1017K1013-G1015 PolarHBondContact O-N 3.09Å; G1015-Q1017 PolarHBondContact O-N 2.95Å
1016P49.3Very low50.9Low132 Ų132133.7 Ų133.786%0.85780%0.798SS**PPolyproline II helixtrans-56.3132.9169.326.4-33.7000108.9G1018P1016-G1018 PolarHBondContact O-N 3.17Å
1017Q57.8Low51.1Low192 Ų192133.5 Ų133.590%0.89780%0.796SS**PPolyproline II helixtrans-54.2123.2-178.7-172-179.332.500109.7G1015 H1019G1015-Q1017 PolarHBondContact O-N 2.95Å; Q1017-H1019 PolarHBondContact O-N 3.43Å
1018G51.4Low51.2Low69 Ų69135.8 Ų135.871%0.71180%0.8SS**PPolyproline II helixtrans-59.4125.8-17600000111.4P1016 K1020P1016-G1018 PolarHBondContact O-N 3.17Å; G1018-K1020 PolarHBondContact O-N 3.12Å
1019H44.3Very low51.5Low189 Ų189135.8 Ų135.888%0.87580%0.799SS**PPolyproline II helixtrans-55.3133.9170.2-70.3-91000109.3Q1017 G1021Q1017-H1019 PolarHBondContact O-N 3.43Å; H1019-G1021 PolarHBondContact O-N 3.44Å
1020K48.3Very low51.4Low205 Ų205135.5 Ų135.589%0.89180%0.797SS**PPolyproline II helixtrans-54119.3170.3-88.8-177.9173.3175.80108.6G1018G1018-K1020 PolarHBondContact O-N 3.12Å
1021G48.8Very low51.6Low68 Ų68131.5 Ų131.570%0.70179%0.793SS**PPolyproline II helixtrans-56.9142.1-17900000111.1H1019 T1023H1019-G1021 PolarHBondContact O-N 3.44Å; G1021-T1023 PolarHBondContact O-N 3.22Å
1022W39.4Very low52Low254 Ų254128.6 Ų128.696%0.96279%0.79SS**PPolyproline II helixtrans-64.4124.9169.8-75.444.4000108.1G1024W1022-G1024 PolarHBondContact O-N 3.44Å; W1022-G1024 VanDerWaalsContact O-N 3.1Å
1023T56Low52.1Low142 Ų142129.1 Ų129.187%0.87180%0.796SS**  trans-62.4114.9170-32.80000107.6G1021G1021-T1023 PolarHBondContact O-N 3.22Å
1024G55.4Low52.5Low50 Ų50125.9 Ų125.952%0.51579%0.793SS.*PPolyproline II helixtrans-58.2154.7174.200000111W1022W1022-G1024 PolarHBondContact O-N 3.44Å; W1022-G1024 VanDerWaalsContact O-N 3.1Å
1025P48.5Very low52.6Low121 Ų121125 Ų12579%0.78679%0.793SS**PPolyproline II helixtrans-55.4140.9170.126.5-34000109.2G1027P1025-G1027 PolarHBondContact O-N 3.08Å
1026P60.2Low52.6Low128 Ų128125.5 Ų125.583%0.83180%0.798SS**PPolyproline II helixtrans-53.7126.7172.3-24.234.1000109.5
1027G54.5Low52.3Low69 Ų69128.2 Ų128.271%0.71180%0.799SS**PPolyproline II helixtrans-59.4143.6179.800000111.3P1025P1025-G1027 PolarHBondContact O-N 3.08Å
1028D45.9Very low52.2Low158 Ų158125 Ų12585%0.84580%0.795SS**PPolyproline II helixtrans-51.9132.9177.7-72.7-56.8000110.6G1030D1028-G1030 PolarHBondContact O-N 2.8Å
1029P62.4Low52.3Low122 Ų122125.3 Ų125.379%0.79280%0.798SS**PPolyproline II helixtrans-54.6117.4178-27.335.4000110.9L1031P1029-L1031 PolarHBondContact O-N 2.9Å
1030G52.6Low52.2Low69 Ų69125.5 Ų125.571%0.71180%0.799SS**PPolyproline II helixtrans-53.1132.9-173.900000112D1028D1028-G1030 PolarHBondContact O-N 2.8Å
1031L48.5Very low52.5Low164 Ų164120.9 Ų120.986%0.85979%0.79SS**PPolyproline II helixtrans-52.7131.2178.3-67.4172.9000109.8P1029 G1033P1029-L1031 PolarHBondContact O-N 2.9Å; L1031-G1033 PolarHBondContact O-N 2.75Å; L1031-G1033 VanDerWaalsContact O-N 3.09Å
1032P61.2Low52.6Low124 Ų124121.2 Ų121.281%0.80579%0.794SS**PPolyproline II helixtrans-52.9120.3175.7-27.935.5000110.4T1034P1032-T1034 PolarHBondContact O-N 2.88Å
1033G59.1Low52.8Low74 Ų74117.5 Ų117.576%0.76379%0.792SS**PPolyproline II helixtrans-56.3130-169.400000112.3L1031 A1035L1031-G1033 PolarHBondContact O-N 2.75Å; L1031-G1033 VanDerWaalsContact O-N 3.09Å; G1033-A1035 PolarHBondContact O-N 3.15Å
1034T52Low53Low138 Ų138122.5 Ų122.585%0.84780%0.795SS**PPolyproline II helixtrans-56.9125.6172.749.90000109.5P1032 G1036P1032-T1034 PolarHBondContact O-N 2.88Å; T1034-G1036 PolarHBondContact O-N 2.86Å
1035A53.2Low52.9Low99 Ų99123.3 Ų123.382%0.81880%0.803SS**PPolyproline II helixtrans-54.4124.9175.400000109.8G1033 Q1037G1033-A1035 PolarHBondContact O-N 3.15Å; A1035-Q1037 PolarHBondContact O-N 2.56Å
1036G56.1Low52.8Low69 Ų69126.1 Ų126.171%0.71180%0.799SS**PPolyproline II helixtrans-59.6134.4-172.300000111.9T1034 P1038T1034-G1036 PolarHBondContact O-N 2.86Å; G1036-P1038 WeakPolarHBondContact O-CD 3.34Å
1037Q43.2Very low52.8Low189 Ų189131.9 Ų131.988%0.88380%0.804SS**PPolyproline II helixtrans-60.2128.5172.6-70.9-175.9-1400109.5A1035 G1039A1035-Q1037 PolarHBondContact O-N 2.56Å; Q1037-G1039 PolarHBondContact O-N 3.24Å
1038P54.4Low52.7Low124 Ų124131.9 Ų131.981%0.80581%0.805SS**PPolyproline II helixtrans-59.9121.4173.3-24.134.7000110.5G1036 Q1040G1036-P1038 WeakPolarHBondContact O-CD 3.34Å; P1038-Q1040 PolarHBondContact O-N 3.43Å
1039G54.7Low52.3Low75 Ų75133.3 Ų133.377%0.77381%0.811SS**PPolyproline II helixtrans-63.2119.5-176.700000112.4Q1037Q1037-G1039 PolarHBondContact O-N 3.24Å
1040Q41.9Very low52Low194 Ų194133 Ų13391%0.90781%0.812SS**PPolyproline II helixtrans-83.6148.5168.7-89.7-167-2.300111.3P1038P1038-Q1040 PolarHBondContact O-N 3.43Å
1041P55.6Low51.8Low108 Ų108133.5 Ų133.570%0.70182%0.817SS**  -125.2163.3-106.837.8-27.6000114.8
1042G49.5Very low51.6Low75 Ų75133.9 Ų133.977%0.77382%0.819SS**  trans-67.6129.6169.700000112.1R1044G1042-R1044 PolarHBondContact O-N 3.39Å
1043L43.4Very low50.9Low176 Ų176134.2 Ų134.292%0.92182%0.821SS**  trans-62115.5177.1-71.6167.7000111G1045L1043-G1045 PolarHBondContact O-N 3.46Å
1044R59.8Low50.4Low247 Ų247134 Ų13493%0.93282%0.819SS**  trans-77.6111.5174.4-171.3176.7-173.5172.63.3109.3G1042G1042-R1044 PolarHBondContact O-N 3.39Å
1045G54.8Low49.9Very low67 Ų67136.9 Ų136.969%0.69182%0.823SS**PPolyproline II helixtrans-53.7142.8-172.700000115.1L1043L1043-G1045 PolarHBondContact O-N 3.46Å
1046Y46.1Very low50.1Low180 Ų180140.3 Ų140.371%0.70683%0.826SS**PPolyproline II helixtrans-57.7139.2-177.8-61.9-88.1000113.1D406D406-Y1046 PolarHBondContact OD1-OH 3.48Å
1047R60Low50.2Low248 Ų248140 Ų14094%0.93682%0.822SS**PPolyproline II helixtrans-91.2129.7165-161.3176.6-167.7178.63.4108.4
1048G51.7Low50.3Low70 Ų70137.3 Ų137.372%0.72282%0.821SS**PPolyproline II helixtrans-61.5155.3-168.800000115.6S1050G1048-S1050 PolarHBondContact O-N 3.4Å
1049L37.4Very low50.6Low187 Ų187138.4 Ų138.498%0.97983%0.825SS**PPolyproline II helixtrans-63.5121.7-178.1-69.4160.7000112.5
1050S56.6Low50.7Low116 Ų116137.9 Ų137.981%0.81182%0.82SS**PPolyproline II helixtrans-95.8124.3160.454.70000109.2G1048G1048-S1050 PolarHBondContact O-N 3.4Å
1051G47.6Very low51Low79 Ų79133.3 Ų133.381%0.81482%0.816SS**PPolyproline II helixtrans-73.5154.2-166.300000116.6
1052L45.6Very low51.6Low173 Ų173134.2 Ų134.291%0.90682%0.821SS**PPolyproline II helixtrans-88.9149.1154.5-63.6171.7000107
1053P47.1Very low52.3Low130 Ų130133.7 Ų133.784%0.84482%0.816SS**  -144.617951.541.4-22.7000116.7
1054G48.2Very low52.8Low70 Ų70131.7 Ų131.772%0.72281%0.814SS**  trans177.296.6167.300000110.4
1055E40.6Very low52.9Low199 Ų199129.2 Ų129.293%0.9381%0.813SS**  trans-73.6141.5-178.2-64.2-174.7135.500112.1
1056I57.8Low53.1Low171 Ų171129.2 Ų129.288%0.87781%0.812SS**  trans-127.3130.8165.5-64.2-179.9000107.7
1057G57.3Low53.2Low61 Ų61130.1 Ų130.163%0.62982%0.823SS**PPolyproline II helixtrans-70.5170.1-171.600000115.4
1058P45.6Very low53Low134 Ų134123.1 Ų123.187%0.8782%0.818SS**PPolyproline II helixtrans-76.4140.4-167.630.6-36.1000113.7
1059V61.7Low53.3Low146 Ų146123 Ų12389%0.88582%0.816SS**PPolyproline II helixtrans-95.6130.4161177.40000108.3
1060G57.3Low53.7Low64 Ų64124.2 Ų124.266%0.6681%0.814SS**PPolyproline II helixtrans-66.9152.1-175.700000113.9
1061A48.1Very low53.8Low99 Ų99125.3 Ų125.382%0.81882%0.816SS**PPolyproline II helixtrans-68.6129.8-176.800000112.6
1062P67.4Low54.3Low126 Ų126124.4 Ų124.482%0.81881%0.807SS**PPolyproline II helixtrans-60142.1159.3-2033.4000110.1
1063G64.8Low54.7Low64 Ų64125.2 Ų125.266%0.6681%0.806SS**PPolyproline II helixtrans-65.1156.4179.100000113Q1065G1063-Q1065 PolarHBondContact O-N 3.29Å
1064P53.7Low55.7Low135 Ų135125 Ų12588%0.87780%0.804SS**PPolyproline II helixtrans-62124.5-178.326-34.2000111.2
1065Q62Low56.7Low195 Ų195124.7 Ų124.791%0.91180%0.801SS**PPolyproline II helixtrans-70.2133.6170.2-175.2170.8-15.700109.2G1063G1063-Q1065 PolarHBondContact O-N 3.29Å
1066G59.2Low57.8Low66 Ų66121 Ų12168%0.6879%0.794SS**PPolyproline II helixtrans-60.8153.6-171.700000114.4A1068G1066-A1068 PolarHBondContact O-N 3.07Å
1067E47.7Very low58.4Low200 Ų200118.7 Ų118.794%0.93579%0.791SS**PPolyproline II helixtrans-55.5119.9-173.5-61.6179.5146.400112.6
1068A56.7Low58.9Low100 Ų100119.4 Ų119.483%0.82680%0.798SS**PPolyproline II helixtrans-77.9128.4166.100000109G1066G1066-A1068 PolarHBondContact O-N 3.07Å
1069G57.3Low60.1Low67 Ų67116.1 Ų116.169%0.69179%0.788SS**PPolyproline II helixtrans-60.3151.8-174.600000114V1071G1069-V1071 PolarHBondContact O-N 2.77Å; G1069-V1071 VanDerWaalsContact O-N 3.08Å
1070F46.6Very low60.6Low214 Ų214115.5 Ų115.594%0.93979%0.787SS**  trans-46.6111.4-175.8-67-88.3000113.4G1072F1070-G1072 PolarHBondContact O-N 2.88Å
1071V57.3Low61.3Low138 Ų138115.4 Ų115.484%0.83679%0.786SS**PPolyproline II helixtrans-69.4120.9159.3178.90000106.8G1069G1069-V1071 PolarHBondContact O-N 2.77Å; G1069-V1071 VanDerWaalsContact O-N 3.08Å
1072G58.7Low62.2Low61 Ų61116.8 Ų116.863%0.62979%0.787SS**PPolyproline II helixtrans-58.2142.2179.700000111.8F1070F1070-G1072 PolarHBondContact O-N 2.88Å
1073E53.9Low62Low190 Ų190118.1 Ų118.189%0.88879%0.786SS**PPolyproline II helixtrans-55.2130.5-177-63.7-173130.900111.1G1075E1073-G1075 PolarHBondContact O-N 2.79Å
1074P67.6Low61.9Low125 Ų125118.1 Ų118.181%0.81279%0.786SS**PPolyproline II helixtrans-56128170.2-24.434.5000109.9
1075G69.7Low62.4Low63 Ų63123.4 Ų123.465%0.64979%0.788SS**PPolyproline II helixtrans-53.8143.417900000111.3E1073E1073-G1075 PolarHBondContact O-N 2.79Å
1076P63.5Low62.7Low121 Ų121121.2 Ų121.279%0.78678%0.783SS**PPolyproline II helixtrans-56.1140.5-173.822.8-33.9000110.7G1078P1076-G1078 PolarHBondContact O-N 3.45Å
1077P71.4Confident63.1Low124 Ų124120.9 Ų120.981%0.80578%0.779SS**PPolyproline II helixtrans-50.2131.3179.3-28.535.3000111.4G1079P1077-G1079 PolarHBondContact O-N 2.99Å
1078G67.5Low64Low75 Ų75117.6 Ų117.677%0.77378%0.775SS**PPolyproline II helixtrans-53.2129178.600000110.3P1076P1076-G1078 PolarHBondContact O-N 3.45Å
1079G70.4Confident64.6Low66 Ų66124 Ų12468%0.6878%0.778SS**PPolyproline II helixtrans-53.7145.3-17800000111.3P1077 G1081P1077-G1079 PolarHBondContact O-N 2.99Å; G1079-G1081 PolarHBondContact O-N 3.2Å
1080P72.3Confident65.2Low133 Ų133123.2 Ų123.286%0.86477%0.769SS**PPolyproline II helixtrans-48.9133.9-178.9-28.535.1000111.6
1081G71.4Confident66.2Low61 Ų61118.8 Ų118.863%0.62976%0.762SS**PPolyproline II helixtrans-53.1145.7176.600000110.6G1079 I1083G1079-G1081 PolarHBondContact O-N 3.2Å; G1081-I1083 PolarHBondContact O-N 3.14Å
1082P66.6Low66.9Low128 Ų128117.8 Ų117.883%0.83176%0.758SS**PPolyproline II helixtrans-54.3131.8-176.823.9-34.2000109.6G1084P1082-G1084 PolarHBondContact O-N 2.78Å
1083I64Low67.2Low155 Ų155118 Ų11880%0.79576%0.76SS**PPolyproline II helixtrans-47.5120.1-179.6-66.3173.3000108.2G1081 R1085G1081-I1083 PolarHBondContact O-N 3.14Å; I1083-R1085 PolarHBondContact O-N 2.86Å; I1083-R1085 VanDerWaalsContact O-N 3.1Å
1084G63.4Low67.6Low64 Ų64117.9 Ų117.966%0.6676%0.759SS**PPolyproline II helixtrans-55120.5179.100000108.3P1082 D1086P1082-G1084 PolarHBondContact O-N 2.78Å; G1084-D1086 PolarHBondContact O-N 2.72Å
1085R63.1Low67.3Low245 Ų245120.8 Ų120.893%0.92576%0.764SS**PPolyproline II helixtrans-47.8126.1-176-81.4-179.3162.7-175.3-5.9109.7I1083 G1087I1083-R1085 PolarHBondContact O-N 2.86Å; I1083-R1085 VanDerWaalsContact O-N 3.1Å; R1085-G1087 PolarHBondContact O-N 2.99Å
1086D68.2Low67.1Low150 Ų150120.7 Ų120.780%0.80276%0.763SS**PPolyproline II helixtrans-47.1130.1173-66.7-53.5000109.4G1084G1084-D1086 PolarHBondContact O-N 2.72Å
1087G68.4Low67Low59 Ų59120.5 Ų120.561%0.60877%0.765SS**PPolyproline II helixtrans-54.1141.9174.300000109.3R1085 R1089R1085-G1087 PolarHBondContact O-N 2.99Å; G1087-R1089 PolarHBondContact O-N 3.03Å
1088P66.8Low66.8Low130 Ų130123.5 Ų123.584%0.84477%0.768SS**PPolyproline II helixtrans-52.7119.7-176.522.4-33.5000109G1090P1088-G1090 PolarHBondContact O-N 3Å
1089R68.2Low66.7Low236 Ų236122.3 Ų122.389%0.89176%0.756SS**  trans-45.3119-175.4179.2-179.1179.7176.61.8108.5G1087G1087-R1089 PolarHBondContact O-N 3.03Å
1090G69.3Low66.5Low49 Ų49125 Ų12551%0.50576%0.761SS.*PPolyproline II helixtrans-49.7143-178.500000110.4P1088P1088-G1090 PolarHBondContact O-N 3Å
1091P69.3Low66Low122 Ų122124.6 Ų124.679%0.79276%0.759SS**PPolyproline II helixtrans-51.6138.1-179.223.7-34000108.7G1093P1091-G1093 PolarHBondContact O-N 3.27Å; P1091-G1093 VanDerWaalsContact O-N 3.17Å
1092P71.1Confident65.4Low117 Ų117124.6 Ų124.676%0.7676%0.758SS**PPolyproline II helixtrans-47.7129.2178.4-28.234.9000109.8H1094P1092-H1094 PolarHBondContact O-N 3.02Å
1093G65.1Low65.1Low64 Ų64124.1 Ų124.166%0.6676%0.755SS**PPolyproline II helixtrans-50.3142.8174.700000109.2P1091 M1095P1091-G1093 PolarHBondContact O-N 3.27Å; P1091-G1093 VanDerWaalsContact O-N 3.17Å; G1093-M1095 PolarHBondContact O-N 3.11Å; G1093-M1095 VanDerWaalsContact O-N 3.11Å
1094H61.9Low64.4Low188 Ų188122.6 Ų122.687%0.8776%0.755SS**PPolyproline II helixtrans-48125.9-176.4-19.2-71.7000108.4P1092 G1096P1092-H1094 PolarHBondContact O-N 3.02Å; H1094-G1096 PolarHBondContact O-N 2.73Å
1095M62.3Low63.4Low186 Ų186122.2 Ų122.292%0.91675%0.752SS**PPolyproline II helixtrans-52.4120.9175.7-173.9-179.1-62.900106.7G1093 S1097G1093-M1095 PolarHBondContact O-N 3.11Å; G1093-M1095 VanDerWaalsContact O-N 3.11Å; M1095-S1097 PolarHBondContact O-N 2.87Å
1096G64.4Low62.4Low61 Ų61116.4 Ų116.463%0.62975%0.746SS**PPolyproline II helixtrans-51.3138.2179.800000108.7H1094 E1098H1094-G1096 PolarHBondContact O-N 2.73Å; G1096-E1098 PolarHBondContact O-N 2.99Å; G1096-E1098 VanDerWaalsContact O-N 3.16Å
1097S63Low60.9Low117 Ų117114.7 Ų114.782%0.81874%0.743SS**PPolyproline II helixtrans-47.4127.3176.650.70000108.8M1095 G1099M1095-S1097 PolarHBondContact O-N 2.87Å; S1097-G1099 PolarHBondContact O-N 2.94Å; S1097-G1099 VanDerWaalsContact O-N 3.14Å
1098E65.7Low59.5Low188 Ų188116.2 Ų116.288%0.87975%0.749SS**PPolyproline II helixtrans-46124.6178.1-172.3168.4-14900108.5G1096G1096-E1098 PolarHBondContact O-N 2.99Å; G1096-E1098 VanDerWaalsContact O-N 3.16Å
1099G64.9Low58.2Low50 Ų50116.5 Ų116.552%0.51574%0.741SS.*PPolyproline II helixtrans-53.5142.7-174.200000109.6S1097 P1101S1097-G1099 PolarHBondContact O-N 2.94Å; S1097-G1099 VanDerWaalsContact O-N 3.14Å; G1099-P1101 VanDerWaalsContact O-N 3.14Å
1100P66.4Low56.7Low123 Ų123109.6 Ų109.680%0.79973%0.729SS**PPolyproline II helixtrans-49.9127.8-177.622.1-33.4000108.5G1102P1100-G1102 PolarHBondContact O-N 3.13Å; P1100-G1102 VanDerWaalsContact O-N 3.12Å
1101P63.4Low55.5Low124 Ų124112.3 Ų112.381%0.80573%0.725SS**PPolyproline II helixtrans-48.1126.1-174.6-31.135.3000109.9G1099G1099-P1101 VanDerWaalsContact O-N 3.14Å
1102G58.7Low54.2Low60 Ų60109.4 Ų109.462%0.61972%0.717SS**PPolyproline II helixtrans-48.4134.9-17600000109.5P1100P1100-G1102 PolarHBondContact O-N 3.13Å; P1100-G1102 VanDerWaalsContact O-N 3.12Å
1103P59.3Low52.5Low119 Ų119112.9 Ų112.977%0.77372%0.72SS**PPolyproline II helixtrans-49.9130.4-169.620.7-33.4000109G1105P1103-G1105 PolarHBondContact O-N 3Å
1104P48.8Very low51.4Low122 Ų122116 Ų11679%0.79272%0.719SS**  trans-47.3115.8-170.2-3135000110.6
1105G43.8Very low50.4Low57 Ų57112.4 Ų112.459%0.58870%0.699SS**  trans-49.1130.5-173.700000109.1P1103 P1107P1103-G1105 PolarHBondContact O-N 3Å; G1105-P1107 WeakPolarHBondContact O-CA 2.94Å
1106P42.4Very low49.2Very low123 Ų123106.8 Ų106.880%0.79969%0.688SS**SBendtrans-48.2119.5-161.818.6-33000108.9A1108P1106-A1108 PolarHBondContact O-N 3.36Å
1107P35Very low47.7Very low114 Ų114111.3 Ų111.374%0.7470%0.698SS**  trans-52.3110.9-146.115.9-31.8000109.9G1105 M1109G1105-P1107 WeakPolarHBondContact O-CA 2.94Å; P1107-M1109 WeakPolarHBondContact O-CA 3.49Å; P1107-M1109 PolarHBondContact O-N 3.01Å
1108A40.6Very low46.5Very low90 Ų90113 Ų11374%0.74469%0.693SS**  trans-47.7114-175.700000107.8P1106 S1110P1106-A1108 PolarHBondContact O-N 3.36Å; A1108-S1110 VanDerWaalsContact C-N 3.29Å; A1108-S1110 PolarHBondContact O-N 3.07Å
1109M38.8Very low44.9Very low137 Ų137114.2 Ų114.268%0.67570%0.695SS**  trans-62.192.9-159.9-89.7-159.2-74.400110.9P1107 Y1111 M1114P1107-M1109 WeakPolarHBondContact O-CA 3.49Å; P1107-M1109 PolarHBondContact O-N 3.01Å; M1109-Y1111 PolarHBondContact O-N 3.37Å; M1109-M1114 HydrophobicContact SD-CE 4.03Å
1110S37.4Very low43.3Very low90 Ų90115.5 Ų115.563%0.62971%0.708SS**  trans-70.299.4169.2-178.50000105.8A1108 G1112 K1113A1108-S1110 VanDerWaalsContact C-N 3.29Å; A1108-S1110 PolarHBondContact O-N 3.07Å; S1110-G1112 PolarHBondContact O-N 3.34Å; S1110-K1113 PolarHBondContact O-N 3.26Å
1111Y44.2Very low42Very low106 Ų106114 Ų11442%0.41669%0.693SS.*G310 helixtrans-51-25.1-178-87-76.2000112.7M1109 K1113 Y1115 L1123M1109-Y1111 PolarHBondContact O-N 3.37Å; Y1111-K1113 PolarHBondContact O-N 3.02Å; Y1111-Y1115 WeakPolarHBondContact O-CD2 3.48Å; Y1111-L1123 HydrophobicContact CD1-CD2 3.3Å; Y1111-L1123 HydrophobicContact CE1-CD2 3.36Å; Y1111-L1123 HydrophobicContact CG-CD2 4.23Å
1112G41.8Very low40.8Very low61 Ų61114.4 Ų114.463%0.62969%0.693SS**G310 helixtrans-64.9-9.3172.800000116.6S1110S1110-G1112 PolarHBondContact O-N 3.34Å
1113K35Very low40.5Very low190 Ų190115.6 Ų115.683%0.82669%0.685SS**G310 helixtrans-108.53.6-177.4-135.8-176.7-177.2-175.80116.5S1110 Y1111 Y1115S1110-K1113 PolarHBondContact O-N 3.26Å; Y1111-K1113 PolarHBondContact O-N 3.02Å; K1113-Y1115 VanDerWaalsContact C-N 3.33Å
1114M41.5Very low40.7Very low129 Ų129115 Ų11564%0.63567%0.672SS**SBendtrans-85.1-7162.2-84-169.7-81.400113.1M1109 G1116M1109-M1114 HydrophobicContact SD-CE 4.03Å; M1114-G1116 PolarHBondContact O-N 3.43Å
1115Y42Very low42.1Very low114 Ų114114.8 Ų114.845%0.44766%0.662SS.*THydrogen-bonded Turntrans-84.539.6-177.9-75.7-75.8000114.9Y1111 K1113 I1121 L1123Y1111-Y1115 WeakPolarHBondContact O-CD2 3.48Å; K1113-Y1115 VanDerWaalsContact C-N 3.33Å; Y1115-I1121 WeakPolarHBondContact CE1-O 3.4Å; Y1115-I1121 PolarHBondContact OH-O 3.2Å; Y1115-L1123 WeakPolarHBondContact OH-CB 3.21Å; Y1115-L1123 PolarHBondContact OH-N 3.24Å
1116G35.5Very low44.2Very low67 Ų67112.9 Ų112.969%0.69164%0.639SS**THydrogen-bonded Turntrans-82-50.4171.900000112.8M1114M1114-G1116 PolarHBondContact O-N 3.43Å
1117D34Very low46.6Very low156 Ų156109.4 Ų109.483%0.83461%0.614SS**SBendtrans-140.674.1-170.2-93.6-54.7000112.1
1118Q37.3Very low49.4Very low152 Ų152104.1 Ų104.171%0.7158%0.58SS**  trans-164138.3149.9-113.8163.833.600112.9
1119K33Very low52Low214 Ų214102.5 Ų102.593%0.9356%0.561SS**SBendtrans-81.1118.8172.2-65.8177.5179.5178.10109.6
1120G31.5Very low54.7Low77 Ų77103.2 Ų103.279%0.79456%0.556SS**  trans94.829.2154.600000118.8
1121I37.7Very low57.3Low91 Ų91102 Ų10247%0.46755%0.547SS..  trans-102.295.3161.9-53.3177.5000108.6Y1115 L1123Y1115-I1121 WeakPolarHBondContact CE1-O 3.4Å; Y1115-I1121 PolarHBondContact OH-O 3.2Å; I1121-L1123 VanDerWaalsContact C-N 3.33Å; I1121-L1123 HydrophobicContact CG2-CB 4.47Å; I1121-L1123 PolarHBondContact O-N 3.42Å
1122T38.9Very low59.7Low133 Ų133101 Ų10182%0.81655%0.545SS*.  trans-75.489.1166.7-52.10000108E1124T1122-E1124 PolarHBondContact O-N 3.26Å; T1122-E1124 VanDerWaalsContact O-N 3.17Å
1123L53.3Low62.3Low86 Ų8698.8 Ų98.845%0.4552%0.52SS..  trans-78.7100.3174.7-165.885.2000108Y1111 Y1115 I1121Y1111-L1123 HydrophobicContact CD1-CD2 3.3Å; Y1111-L1123 HydrophobicContact CE1-CD2 3.36Å; Y1111-L1123 HydrophobicContact CG-CD2 4.23Å; Y1115-L1123 WeakPolarHBondContact OH-CB 3.21Å; Y1115-L1123 PolarHBondContact OH-N 3.24Å; I1121-L1123 VanDerWaalsContact C-N 3.33Å; I1121-L1123 HydrophobicContact CG2-CB 4.47Å; I1121-L1123 PolarHBondContact O-N 3.42Å
1124E62.6Low65.2Low105 Ų10589.8 Ų89.849%0.49148%0.481SS..  trans-56.6138.3175-60.7-170.5145.400110.1T1122 F1132T1122-E1124 PolarHBondContact O-N 3.26Å; T1122-E1124 VanDerWaalsContact O-N 3.17Å; E1124-F1132 WeakPolarHBondContact OE2-CE2 3.38Å
1125M77.9Confident67.8Low118 Ų11889 Ų8958%0.58147%0.471SS*.  trans-63.7129.7178-67.7-171.6-66.100109N1127M1125-N1127 PolarHBondContact O-N 3.49Å
1126P88.9Confident70.4Confident17 Ų1784 Ų8411%0.1145%0.453CS..  trans-54.3109.7-177.1-30.236.2000112.9F1132 P1133 A1134 Y1139 L1140 H1144P1126-F1132 CarbonylContact C-O 3.57Å; P1126-P1133 WeakPolarHBondContact CB-O 3.28Å; P1126-A1134 HydrophobicContact CB-CB 4.26Å; P1126-Y1139 HydrophobicContact CB-CE1 4.14Å; P1126-Y1139 HydrophobicContact CG-CE1 4.38Å; P1126-L1140 WeakPolarHBondContact O-CD2 3.49Å; P1126-H1144 PolarHBondContact O-CE1 3.25Å; P1126-H1144 VanDerWaalsContact O-CE1 3.29Å
1127N91.8Very high73.3Confident51 Ų5180.8 Ų80.827%0.27342%0.42SS..  trans-964.3-171.263.37.9000113.2M1125 T1129 F1132M1125-N1127 PolarHBondContact O-N 3.49Å; N1127-T1129 VanDerWaalsContact C-N 3.33Å; N1127-T1129 WeakPolarHBondContact OD1-CB 3.36Å; N1127-T1129 VanDerWaalsContact OD1-CG2 3.24Å; N1127-T1129 WeakPolarHBondContact OD1-CG2 2.94Å; N1127-T1129 PolarHBondContact OD1-N 2.93Å; N1127-T1129 VanDerWaalsContact OD1-N 3.09Å; N1127-T1129 PolarHBondContact OD1-OG1 3.04Å; N1127-F1132 PolarHBondContact N-O 2.85Å
1128G94.7Very high76.3Confident3 Ų374.5 Ų74.53%0.03139%0.387CS..SBendtrans81.411.3178.700000113.9F1132 W1153G1128-F1132 PolarHBondContact N-O 3.29Å; G1128-F1132 VanDerWaalsContact N-O 3.13Å; G1128-W1153 WeakPolarHBondContact CA-O 3.4Å; G1128-W1153 PolarHBondContact O-N 3.19Å
1129T95.4Very high79.1Confident55 Ų5570.4 Ų70.434%0.33737%0.365SS..SBendtrans-75.4160.8165.960.10000110.9N1127 S1131 F1132 P1133N1127-T1129 VanDerWaalsContact C-N 3.33Å; N1127-T1129 WeakPolarHBondContact OD1-CB 3.36Å; N1127-T1129 VanDerWaalsContact OD1-CG2 3.24Å; N1127-T1129 WeakPolarHBondContact OD1-CG2 2.94Å; N1127-T1129 PolarHBondContact OD1-N 2.93Å; N1127-T1129 VanDerWaalsContact OD1-N 3.09Å; N1127-T1129 PolarHBondContact OD1-OG1 3.04Å; T1129-S1131 PolarHBondContact O-N 2.85Å; T1129-S1131 PolarHBondContact OG1-OG 3.1Å; T1129-F1132 CarbonylContact O-C 3.39Å; T1129-F1132 PolarHBondContact O-N 2.85Å; T1129-F1132 VanDerWaalsContact O-N 3.14Å; T1129-F1132 PolarHBondContact OG1-N 2.81Å; T1129-P1133 WeakPolarHBondContact O-CA 3.28Å
1130R94.5Very high82Confident152 Ų15260.2 Ų60.257%0.57432%0.321SS*.SBendtrans-62.2-26.9178.8-167.3174.5-173.6-179.84.6113.6W1153R1130-W1153 HydrophobicContact CB-CD2 3.79Å; R1130-W1153 HydrophobicContact CB-CE3 4.41Å; R1130-W1153 HydrophobicContact CB-CG 3.84Å; R1130-W1153 HydrophobicContact CB-CZ2 4.47Å; R1130-W1153 HydrophobicContact CG-CD2 3.71Å; R1130-W1153 HydrophobicContact CG-CE3 3.82Å; R1130-W1153 HydrophobicContact CG-CG 4.23Å; R1130-W1153 HydrophobicContact CG-CH2 4.28Å; R1130-W1153 HydrophobicContact CG-CZ2 4.17Å; R1130-W1153 HydrophobicContact CG-CZ3 4.11Å
1131S93.1Very high85.1Confident65 Ų6557.7 Ų57.746%0.45529%0.291SS..SBendtrans-76.7-38.8174.536.20000112.4T1129 P1133 N1161T1129-S1131 PolarHBondContact O-N 2.85Å; T1129-S1131 PolarHBondContact OG1-OG 3.1Å; S1131-P1133 WeakPolarHBondContact O-CD 3.33Å; S1131-N1161 PolarHBondContact O-ND2 2.94Å
1132F94.1Very high87.8Confident84 Ų8462.3 Ų62.337%0.36830%0.303SS..SBendtrans-123.864.4-178.1-53.2-70.1000111.2E1124 P1126 N1127 G1128 T1129E1124-F1132 WeakPolarHBondContact OE2-CE2 3.38Å; P1126-F1132 CarbonylContact C-O 3.57Å; N1127-F1132 PolarHBondContact N-O 2.85Å; G1128-F1132 PolarHBondContact N-O 3.29Å; G1128-F1132 VanDerWaalsContact N-O 3.13Å; T1129-F1132 CarbonylContact O-C 3.39Å; T1129-F1132 PolarHBondContact O-N 2.85Å; T1129-F1132 VanDerWaalsContact O-N 3.14Å; T1129-F1132 PolarHBondContact OG1-N 2.81Å
1133P96.2Very high90.4Very high16 Ų1658 Ų5810%0.10428%0.276CS..  trans-67.4137.5-177.129.6-36.2000110.5P1126 T1129 S1131 W1153 D1155 N1161 A1164P1126-P1133 WeakPolarHBondContact CB-O 3.28Å; T1129-P1133 WeakPolarHBondContact O-CA 3.28Å; S1131-P1133 WeakPolarHBondContact O-CD 3.33Å; P1133-W1153 WeakPolarHBondContact CA-O 3.28Å; P1133-W1153 HydrophobicContact CB-CB 4.11Å; P1133-D1155 HydrophobicContact CB-CB 4.06Å; P1133-D1155 HydrophobicContact CG-CB 3.88Å; P1133-N1161 HydrophobicContact CG-CB 3.73Å; P1133-A1164 HydrophobicContact CB-CB 3.77Å; P1133-A1164 HydrophobicContact CG-CB 3.72Å
1134A95.9Very high92.3Very high1 Ų156 Ų561%0.00826%0.264CS..BIsolated β-bridgetrans-80.2161.2178.400000111.6P1126 S1136 Y1139 L1140 W1153 I1154 D1155P1126-A1134 HydrophobicContact CB-CB 4.26Å; A1134-S1136 VanDerWaalsContact C-N 3.31Å; A1134-S1136 PolarHBondContact O-N 2.73Å; A1134-Y1139 HydrophobicContact CB-CD1 3.86Å; A1134-L1140 HydrophobicContact CB-CD1 3.91Å; A1134-L1140 HydrophobicContact CB-CD2 3.61Å; A1134-L1140 HydrophobicContact CB-CG 3.43Å; A1134-L1140 VanDerWaalsContact CB-CG 3.43Å; A1134-W1153 PolarHBondContact N-O 3.22Å; A1134-I1154 HydrophobicContact CB-CG2 4.48Å; A1134-I1154 CarbonylContact O-C 3.55Å; A1134-I1154 WeakPolarHBondContact O-CA 3.36Å; A1134-I1154 WeakPolarHBondContact O-CB 3.39Å; A1134-D1155 PolarHBondContact O-N 3.19Å
1135R95.2Very high93.7Very high111 Ų11156.2 Ų56.242%0.41928%0.275SS..SBendtrans-70.3-28.3-179.8-151.7-176.8-176176.83.7113.8P1156 L1232R1135-P1156 PolarHBondContact NE-O 3.07Å; R1135-P1156 VanDerWaalsContact NE-O 3.15Å; R1135-P1156 WeakPolarHBondContact O-CA 3.27Å; R1135-L1232 HydrophobicContact CG-CD1 3.84Å
1136S96.5Very high94.3Very high10 Ų1054.3 Ų54.37%0.0729%0.286CS..  trans-166.7169.3174.265.20000110.3A1134 N1138 Y1139 L1140A1134-S1136 VanDerWaalsContact C-N 3.31Å; A1134-S1136 PolarHBondContact O-N 2.73Å; S1136-N1138 PolarHBondContact O-N 3.35Å; S1136-N1138 PolarHBondContact OG-N 2.91Å; S1136-Y1139 WeakPolarHBondContact O-CB 3.39Å; S1136-Y1139 PolarHBondContact O-N 2.93Å; S1136-Y1139 PolarHBondContact OG-N 3Å; S1136-L1140 PolarHBondContact O-N 3.18Å
1137C97.6Very high94.6Very high0 Ų056.2 Ų56.20%029%0.294CS..Hα-helixtrans-64.4-28.5172.7-590000112.6Y1139 L1140 S1141 C1169 L1171 G1174 E1175 T1176C1137-Y1139 VanDerWaalsContact C-N 3.27Å; C1137-Y1139 PolarHBondContact O-N 3.23Å; C1137-L1140 PolarHBondContact O-N 3.28Å; C1137-S1141 PolarHBondContact O-N 3.32Å; C1137-S1141 PolarHBondContact O-OG 3.2Å; C1137-C1169 VanDerWaalsContact CA-SG 3.6Å; C1137-C1169 HydrophobicContact CB-CB 3.49Å; C1137-C1169 VanDerWaalsContact CB-CB 3.49Å; C1137-C1169 WeakPolarHBondContact CB-SG 3.38Å; C1137-C1169 WeakPolarHBondContact SG-CA 3.31Å; C1137-C1169 WeakPolarHBondContact SG-CB 3.08Å; C1137-C1169 CovalentContact SG-SG 2.02Å; C1137-C1169 PolarHBondContact SG-SG 2.89Å; C1137-L1171 HydrophobicContact CB-CD2 4.3Å; C1137-L1171 WeakPolarHBondContact O-CD2 3.46Å; C1137-G1174 CarbonylContact C-O 3.59Å; C1137-E1175 WeakPolarHBondContact CB-O 3.45Å; C1137-T1176 VanDerWaalsContact CB-OG1 3.31Å; C1137-T1176 WeakPolarHBondContact CB-OG1 3.31Å; C1137-T1176 PolarHBondContact N-OG1 3.39Å; C1137-T1176 VanDerWaalsContact N-OG1 3.08Å; C1137-T1176 VanDerWaalsContact SG-CA 3.59Å
1138N96.2Very high94.8Very high24 Ų2458 Ų5813%0.12831%0.309CS..Hα-helixtrans-69.6-23.3173.6-155.6-27.5000112.2S1136 S1141 R1142 G1174 Q1329S1136-N1138 PolarHBondContact O-N 3.35Å; S1136-N1138 PolarHBondContact OG-N 2.91Å; N1138-S1141 PolarHBondContact O-OG 3.23Å; N1138-R1142 WeakPolarHBondContact O-CD 3.48Å; N1138-R1142 VanDerWaalsContact O-CG 3.3Å; N1138-R1142 WeakPolarHBondContact O-CG 3.46Å; N1138-R1142 PolarHBondContact O-NE 3.43Å; N1138-R1142 VanDerWaalsContact OD1-CZ 3.25Å; N1138-R1142 PolarHBondContact OD1-NE 2.81Å; N1138-R1142 PolarHBondContact OD1-NH2 3.24Å; N1138-G1174 WeakPolarHBondContact CA-O 3.4Å; N1138-G1174 WeakPolarHBondContact CB-O 3.24Å; N1138-G1174 PolarHBondContact N-O 3.05Å; N1138-Q1329 PolarHBondContact ND2-OXT 2.84Å
1139Y95.3Very high94.9Very high65 Ų6560.9 Ų60.926%0.25532%0.323SS..Hα-helixtrans-75.6-43.7167.8179.3-86.9000111.3P1126 A1134 S1136 C1137 R1142 T1143P1126-Y1139 HydrophobicContact CB-CE1 4.14Å; P1126-Y1139 HydrophobicContact CG-CE1 4.38Å; A1134-Y1139 HydrophobicContact CB-CD1 3.86Å; S1136-Y1139 WeakPolarHBondContact O-CB 3.39Å; S1136-Y1139 PolarHBondContact O-N 2.93Å; S1136-Y1139 PolarHBondContact OG-N 3Å; C1137-Y1139 VanDerWaalsContact C-N 3.27Å; C1137-Y1139 PolarHBondContact O-N 3.23Å; Y1139-R1142 PolarHBondContact O-N 3.15Å; Y1139-T1143 HydrophobicContact CD1-CG2 4.19Å; Y1139-T1143 HydrophobicContact CD2-CG2 4.41Å; Y1139-T1143 HydrophobicContact CE1-CG2 3.79Å; Y1139-T1143 HydrophobicContact CE2-CG2 4.02Å; Y1139-T1143 HydrophobicContact CG-CG2 4.49Å; Y1139-T1143 PolarHBondContact O-N 3.5Å; Y1139-T1143 VanDerWaalsContact O-N 3.09Å; Y1139-T1143 PolarHBondContact O-OG1 3.17Å
1140L95.7Very high95Very high0 Ų059 Ų590%032%0.315CS..Hα-helixtrans-60.5-48.8178.3-75.9169.6000112.2P1126 A1134 S1136 C1137 R1142 T1143 H1144 L1147 Y1152 L1171P1126-L1140 WeakPolarHBondContact O-CD2 3.49Å; A1134-L1140 HydrophobicContact CB-CD1 3.91Å; A1134-L1140 HydrophobicContact CB-CD2 3.61Å; A1134-L1140 HydrophobicContact CB-CG 3.43Å; A1134-L1140 VanDerWaalsContact CB-CG 3.43Å; S1136-L1140 PolarHBondContact O-N 3.18Å; C1137-L1140 PolarHBondContact O-N 3.28Å; L1140-R1142 PolarHBondContact O-N 3.12Å; L1140-R1142 VanDerWaalsContact O-N 3.12Å; L1140-T1143 PolarHBondContact O-N 3.5Å; L1140-T1143 VanDerWaalsContact O-N 3.17Å; L1140-T1143 PolarHBondContact O-OG1 3.06Å; L1140-H1144 CarbonylContact O-C 3.55Å; L1140-H1144 WeakPolarHBondContact O-CA 3.36Å; L1140-H1144 PolarHBondContact O-N 3.37Å; L1140-L1147 HydrophobicContact CD2-CD1 4.26Å; L1140-Y1152 HydrophobicContact CD1-CD1 4.1Å; L1140-Y1152 HydrophobicContact CD1-CD2 4.47Å; L1140-Y1152 HydrophobicContact CD1-CG 3.87Å; L1140-L1171 HydrophobicContact CB-CD2 3.53Å; L1140-L1171 HydrophobicContact CD1-CD2 4.47Å
1141S95.4Very high95.2Very high25 Ų2556.9 Ų56.918%0.17531%0.311CS..Hα-helixtrans-60.5-27.7-177.762.50000113.6C1137 N1138 L1171C1137-S1141 PolarHBondContact O-N 3.32Å; C1137-S1141 PolarHBondContact O-OG 3.2Å; N1138-S1141 PolarHBondContact O-OG 3.23Å; S1141-L1171 WeakPolarHBondContact CB-O 3.36Å
1142R94.3Very high95.4Very high188 Ų18855.1 Ų55.171%0.70930%0.295SS*.Hα-helixtrans-87.3-31.4178.1-61.7178.1-160.1-148.66.2113.8N1138 Y1139 L1140N1138-R1142 WeakPolarHBondContact O-CD 3.48Å; N1138-R1142 VanDerWaalsContact O-CG 3.3Å; N1138-R1142 WeakPolarHBondContact O-CG 3.46Å; N1138-R1142 PolarHBondContact O-NE 3.43Å; N1138-R1142 VanDerWaalsContact OD1-CZ 3.25Å; N1138-R1142 PolarHBondContact OD1-NE 2.81Å; N1138-R1142 PolarHBondContact OD1-NH2 3.24Å; Y1139-R1142 PolarHBondContact O-N 3.15Å; L1140-R1142 PolarHBondContact O-N 3.12Å; L1140-R1142 VanDerWaalsContact O-N 3.12Å
1143T93.6Very high95.5Very high42 Ų4253.9 Ų53.926%0.25829%0.288SS..Hα-helixtrans-93.9-30.6-17650.40000112.9Y1139 L1140 P1145Y1139-T1143 HydrophobicContact CD1-CG2 4.19Å; Y1139-T1143 HydrophobicContact CD2-CG2 4.41Å; Y1139-T1143 HydrophobicContact CE1-CG2 3.79Å; Y1139-T1143 HydrophobicContact CE2-CG2 4.02Å; Y1139-T1143 HydrophobicContact CG-CG2 4.49Å; Y1139-T1143 PolarHBondContact O-N 3.5Å; Y1139-T1143 VanDerWaalsContact O-N 3.09Å; Y1139-T1143 PolarHBondContact O-OG1 3.17Å; L1140-T1143 PolarHBondContact O-N 3.5Å; L1140-T1143 VanDerWaalsContact O-N 3.17Å; L1140-T1143 PolarHBondContact O-OG1 3.06Å; T1143-P1145 VanDerWaalsContact C-CD 3.48Å
1144H93.8Very high95.6Very high44 Ų4453.1 Ų53.120%0.20428%0.283CS..  trans-133.159.7-176.2-60.688.5000110.5P1126 L1140 G1146 L1147P1126-H1144 PolarHBondContact O-CE1 3.25Å; P1126-H1144 VanDerWaalsContact O-CE1 3.29Å; L1140-H1144 CarbonylContact O-C 3.55Å; L1140-H1144 WeakPolarHBondContact O-CA 3.36Å; L1140-H1144 PolarHBondContact O-N 3.37Å; H1144-G1146 PolarHBondContact O-N 3.09Å; H1144-L1147 HydrophobicContact CB-CD1 3.52Å; H1144-L1147 HydrophobicContact CB-CG 3.88Å; H1144-L1147 WeakPolarHBondContact O-CB 3.42Å; H1144-L1147 PolarHBondContact O-N 3.04Å
1145P91.1Very high95.6Very high110 Ų11053.7 Ų53.771%0.71429%0.286SS*.THydrogen-bonded Turntrans-66.3-0.4-173.528.6-37.6000115.4T1143T1143-P1145 VanDerWaalsContact C-CD 3.48Å
1146G91Very high95.7Very high78 Ų7848.4 Ų48.480%0.80427%0.266SS*.THydrogen-bonded Turntrans-96.40.1172.100000114.5H1144H1144-G1146 PolarHBondContact O-N 3.09Å
1147L94.5Very high95.6Very high57 Ų5749.8 Ų49.830%0.29827%0.272SS..SBendtrans-78.4140.9174-74.4177000110.9L1140 H1144 Y1152 L1171L1140-L1147 HydrophobicContact CD2-CD1 4.26Å; H1144-L1147 HydrophobicContact CB-CD1 3.52Å; H1144-L1147 HydrophobicContact CB-CG 3.88Å; H1144-L1147 WeakPolarHBondContact O-CB 3.42Å; H1144-L1147 PolarHBondContact O-N 3.04Å; L1147-Y1152 HydrophobicContact CD1-CE1 3.89Å; L1147-Y1152 HydrophobicContact CD2-CE1 4.32Å; L1147-L1171 HydrophobicContact CB-CD1 3.36Å; L1147-L1171 HydrophobicContact CD1-CD1 4.39Å
1148P96.8Very high95.3Very high89 Ų8951.2 Ų51.258%0.57829%0.287SS*.PPolyproline II helixtrans-78.3161.4176.233.4-36.5000112.5Y1152 L1171P1148-Y1152 WeakPolarHBondContact CD-OH 3.45Å; P1148-Y1152 WeakPolarHBondContact O-CE2 3.31Å; P1148-Y1152 PolarHBondContact O-OH 3.09Å; P1148-L1171 WeakPolarHBondContact O-CD1 3.45Å
1149D97.7Very high94.9Very high62 Ų6254.4 Ų54.433%0.33233%0.326SS..SBendtrans-58.1137.9164.6-63.9-13000109.7C1169 R1170 L1171 N1172D1149-C1169 CarbonylContact C-O 3.55Å; D1149-C1169 VanDerWaalsContact CA-O 3.28Å; D1149-C1169 WeakPolarHBondContact CA-O 3.2Å; D1149-R1170 VanDerWaalsContact OD1-C 3.28Å; D1149-R1170 WeakPolarHBondContact OD1-CA 3.28Å; D1149-L1171 WeakPolarHBondContact OD1-CA 3.17Å; D1149-L1171 PolarHBondContact OD1-N 3.32Å; D1149-N1172 VanDerWaalsContact CG-ND2 3.25Å; D1149-N1172 PolarHBondContact OD1-N 3.16Å; D1149-N1172 PolarHBondContact OD1-ND2 3Å; D1149-N1172 PolarHBondContact OD2-ND2 2.99Å
1150G96.8Very high94.7Very high15 Ų1553.2 Ų53.216%0.15533%0.327CS..EExtended strand (participates in β ladder)trans162.2-169.5-172.300000113.9Y1152 F1168 C1169G1150-Y1152 VanDerWaalsContact O-CD2 3.31Å; G1150-Y1152 WeakPolarHBondContact O-CD2 3.46Å; G1150-F1168 CarbonylContact O-C 3.46Å; G1150-F1168 WeakPolarHBondContact O-CA 3.48Å; G1150-C1169 PolarHBondContact N-O 3.14Å; G1150-C1169 PolarHBondContact O-N 3.14Å
1151E97.7Very high94.5Very high108 Ų10857.1 Ų57.151%0.50535%0.348SS..EExtended strand (participates in β ladder)trans-89.8124.1-178-62.4-160.6119.900114.4K1166 V1167 F1168E1151-K1166 HydrophobicContact CB-CD 4.34Å; E1151-K1166 WeakPolarHBondContact OE2-CE 3.35Å; E1151-K1166 IonicContact OE2-NZ 2.64Å; E1151-K1166 PolarHBondContact OE2-NZ 3.37Å; E1151-V1167 CarbonylContact C-O 3.11Å; E1151-V1167 VanDerWaalsContact CA-O 3.29Å; E1151-V1167 WeakPolarHBondContact CA-O 3.1Å; E1151-F1168 HydrophobicContact CG-CD2 4.24Å
1152Y97.6Very high94.3Very high29 Ų2964.3 Ų64.311%0.11438%0.376CS..EExtended strand (participates in β ladder)trans-129.4164.8179.1-62.6-90.5000111.4L1140 L1147 P1148 G1150 K1166 V1167 C1169 L1171L1140-Y1152 HydrophobicContact CD1-CD1 4.1Å; L1140-Y1152 HydrophobicContact CD1-CD2 4.47Å; L1140-Y1152 HydrophobicContact CD1-CG 3.87Å; L1147-Y1152 HydrophobicContact CD1-CE1 3.89Å; L1147-Y1152 HydrophobicContact CD2-CE1 4.32Å; P1148-Y1152 WeakPolarHBondContact CD-OH 3.45Å; P1148-Y1152 WeakPolarHBondContact O-CE2 3.31Å; P1148-Y1152 PolarHBondContact O-OH 3.09Å; G1150-Y1152 VanDerWaalsContact O-CD2 3.31Å; G1150-Y1152 WeakPolarHBondContact O-CD2 3.46Å; Y1152-K1166 CarbonylContact O-C 3.5Å; Y1152-K1166 WeakPolarHBondContact O-CA 3.31Å; Y1152-V1167 PolarHBondContact N-O 3.27Å; Y1152-V1167 PolarHBondContact O-N 3.13Å; Y1152-C1169 HydrophobicContact CD2-CB 3.65Å; Y1152-C1169 HydrophobicContact CE2-CB 4.15Å; Y1152-L1171 HydrophobicContact CE2-CD1 3.97Å; Y1152-L1171 HydrophobicContact CE2-CG 4.49Å
1153W97.3Very high94.2Very high57 Ų5758.5 Ų58.522%0.21636%0.359CS..EExtended strand (participates in β ladder)trans-97.5133.3171.7-66.579.3000110.6G1128 R1130 P1133 A1134 A1164 V1165 K1166G1128-W1153 WeakPolarHBondContact CA-O 3.4Å; G1128-W1153 PolarHBondContact O-N 3.19Å; R1130-W1153 HydrophobicContact CB-CD2 3.79Å; R1130-W1153 HydrophobicContact CB-CE3 4.41Å; R1130-W1153 HydrophobicContact CB-CG 3.84Å; R1130-W1153 HydrophobicContact CB-CZ2 4.47Å; R1130-W1153 HydrophobicContact CG-CD2 3.71Å; R1130-W1153 HydrophobicContact CG-CE3 3.82Å; R1130-W1153 HydrophobicContact CG-CG 4.23Å; R1130-W1153 HydrophobicContact CG-CH2 4.28Å; R1130-W1153 HydrophobicContact CG-CZ2 4.17Å; R1130-W1153 HydrophobicContact CG-CZ3 4.11Å; P1133-W1153 WeakPolarHBondContact CA-O 3.28Å; P1133-W1153 HydrophobicContact CB-CB 4.11Å; A1134-W1153 PolarHBondContact N-O 3.22Å; W1153-A1164 WeakPolarHBondContact CZ3-O 3.47Å; W1153-V1165 WeakPolarHBondContact CA-O 3.06Å; W1153-K1166 HydrophobicContact CD2-CB 4.09Å; W1153-K1166 HydrophobicContact CD2-CG 4.22Å; W1153-K1166 HydrophobicContact CE3-CB 4.24Å; W1153-K1166 HydrophobicContact CG-CG 4.46Å; W1153-K1166 HydrophobicContact CH2-CB 4.2Å; W1153-K1166 HydrophobicContact CZ2-CB 4.05Å; W1153-K1166 HydrophobicContact CZ2-CD 4.23Å; W1153-K1166 HydrophobicContact CZ2-CG 4.22Å; W1153-K1166 HydrophobicContact CZ3-CB 4.29Å
1154I96.9Very high94.3Very high0 Ų056.8 Ų56.80%035%0.349CS..EExtended strand (participates in β ladder)trans-130.5156.6176.166.1164.1000112.8A1134 P1156 A1164 V1165 V1167 T1176A1134-I1154 HydrophobicContact CB-CG2 4.48Å; A1134-I1154 CarbonylContact O-C 3.55Å; A1134-I1154 WeakPolarHBondContact O-CA 3.36Å; A1134-I1154 WeakPolarHBondContact O-CB 3.39Å; I1154-P1156 HydrophobicContact CD1-CG 3.87Å; I1154-P1156 HydrophobicContact CG1-CG 4.32Å; I1154-A1164 CarbonylContact O-C 3.03Å; I1154-A1164 VanDerWaalsContact O-CA 3.28Å; I1154-A1164 WeakPolarHBondContact O-CA 3.27Å; I1154-A1164 WeakPolarHBondContact O-CB 3.28Å; I1154-V1165 HydrophobicContact CG1-CG2 3.96Å; I1154-V1165 PolarHBondContact N-O 2.95Å; I1154-V1165 PolarHBondContact O-N 2.67Å; I1154-V1167 HydrophobicContact CB-CG2 4.38Å; I1154-V1167 HydrophobicContact CD1-CB 4.46Å; I1154-V1167 HydrophobicContact CD1-CG1 3.87Å; I1154-V1167 HydrophobicContact CD1-CG2 3.85Å; I1154-V1167 HydrophobicContact CG1-CB 4.45Å; I1154-V1167 HydrophobicContact CG1-CG1 3.85Å; I1154-V1167 HydrophobicContact CG1-CG2 3.7Å; I1154-V1167 HydrophobicContact CG2-CG2 3.86Å; I1154-T1176 HydrophobicContact CD1-CG2 3.38Å
1155D97Very high94.4Very high13 Ų1355.6 Ų55.67%0.0735%0.345CS..  trans-133.577-179.7-158.939.8000110.4P1133 A1134 N1157 G1158 A1164 Q1225P1133-D1155 HydrophobicContact CB-CB 4.06Å; P1133-D1155 HydrophobicContact CG-CB 3.88Å; A1134-D1155 PolarHBondContact O-N 3.19Å; D1155-N1157 PolarHBondContact O-N 3.2Å; D1155-N1157 PolarHBondContact OD1-OD1 2.83Å; D1155-G1158 PolarHBondContact O-N 3.32Å; D1155-G1158 WeakPolarHBondContact OD2-CA 3.43Å; D1155-A1164 HydrophobicContact CB-CB 4.05Å; D1155-Q1225 PolarHBondContact OD1-NE2 3.13Å; D1155-Q1225 VanDerWaalsContact OD1-NE2 3.17Å
1156P97Very high94.7Very high0 Ų054.4 Ų54.40%033%0.329CS..SBendtrans-56.4-46.4-177.4-29.434000115.1R1135 I1154 G1158 Q1225 F1228 L1229 L1232R1135-P1156 PolarHBondContact NE-O 3.07Å; R1135-P1156 VanDerWaalsContact NE-O 3.15Å; R1135-P1156 WeakPolarHBondContact O-CA 3.27Å; I1154-P1156 HydrophobicContact CD1-CG 3.87Å; I1154-P1156 HydrophobicContact CG1-CG 4.32Å; P1156-G1158 VanDerWaalsContact C-N 3.33Å; P1156-Q1225 VanDerWaalsContact CD-OE1 3.23Å; P1156-Q1225 HydrophobicContact CG-CB 4.45Å; P1156-F1228 HydrophobicContact CB-CB 3.69Å; P1156-L1229 HydrophobicContact CB-CB 4.3Å; P1156-L1229 HydrophobicContact CG-CB 4.26Å; P1156-L1232 HydrophobicContact CB-CD1 4.18Å
1157N94.9Very high95Very high39 Ų3950.8 Ų50.821%0.20929%0.291CS..SBendtrans-61.8-41.8174.162.6-14.9000111.3D1155 D1163 Q1225 F1228D1155-N1157 PolarHBondContact O-N 3.2Å; D1155-N1157 PolarHBondContact OD1-OD1 2.83Å; N1157-D1163 PolarHBondContact ND2-OD2 3.29Å; N1157-Q1225 VanDerWaalsContact CG-CD 3.5Å; N1157-Q1225 VanDerWaalsContact OD1-CD 3.22Å; N1157-Q1225 PolarHBondContact OD1-NE2 3.41Å; N1157-Q1225 PolarHBondContact OD1-OE1 3.05Å; N1157-F1228 HydrophobicContact CB-CB 4.49Å; N1157-F1228 HydrophobicContact CB-CD2 3.53Å; N1157-F1228 HydrophobicContact CB-CE2 3.77Å; N1157-F1228 HydrophobicContact CB-CG 3.95Å; N1157-F1228 HydrophobicContact CB-CZ 4.36Å
1158G90.5Very high95.1Very high30 Ų3049.7 Ų49.731%0.30928%0.284SS..  trans76.2177.8-170.700000112.7D1155 P1156 S1160D1155-G1158 PolarHBondContact O-N 3.32Å; D1155-G1158 WeakPolarHBondContact OD2-CA 3.43Å; P1156-G1158 VanDerWaalsContact C-N 3.33Å; G1158-S1160 PolarHBondContact O-N 3.08Å
1159G88.2Confident95.2Very high92 Ų9245.4 Ų45.495%0.94826%0.256SS*.SBendtrans95.8-63.2174.900000112.6
1160S90.6Very high95.2Very high40 Ų4047.7 Ų47.728%0.2826%0.26SS..  trans-116.2104.6-175.81670000111.3G1158 K1162 D1163G1158-S1160 PolarHBondContact O-N 3.08Å; S1160-K1162 PolarHBondContact O-N 3.2Å; S1160-D1163 WeakPolarHBondContact CB-OD1 3.23Å; S1160-D1163 PolarHBondContact O-N 3.19Å; S1160-D1163 PolarHBondContact OG-OD1 2.95Å
1161N91.3Very high95.1Very high81 Ų8147.6 Ų47.643%0.43326%0.256SS..THydrogen-bonded Turntrans-66.28.4175.169.6-8.5000115S1131 P1133S1131-N1161 PolarHBondContact O-ND2 2.94Å; P1133-N1161 HydrophobicContact CG-CB 3.73Å
1162K91.8Very high94.9Very high176 Ų17649.6 Ų49.677%0.76527%0.271SS*.THydrogen-bonded Turntrans-83.4-36175.6-59.9173.4-173.2165.40111.9S1160S1160-K1162 PolarHBondContact O-N 3.2Å
1163D93.3Very high94.8Very high66 Ų6650 Ų5035%0.35328%0.278SS..SBendtrans-94.97.7177.341.5-64.9000112.9N1157 S1160 Q1225N1157-D1163 PolarHBondContact ND2-OD2 3.29Å; S1160-D1163 WeakPolarHBondContact CB-OD1 3.23Å; S1160-D1163 PolarHBondContact O-N 3.19Å; S1160-D1163 PolarHBondContact OG-OD1 2.95Å; D1163-Q1225 PolarHBondContact O-NE2 3.37Å
1164A95.1Very high94.8Very high6 Ų647.3 Ų47.35%0.0527%0.267CS..  trans-58.6139.9164.800000111.4P1133 W1153 I1154 D1155P1133-A1164 HydrophobicContact CB-CB 3.77Å; P1133-A1164 HydrophobicContact CG-CB 3.72Å; W1153-A1164 WeakPolarHBondContact CZ3-O 3.47Å; I1154-A1164 CarbonylContact O-C 3.03Å; I1154-A1164 VanDerWaalsContact O-CA 3.28Å; I1154-A1164 WeakPolarHBondContact O-CA 3.27Å; I1154-A1164 WeakPolarHBondContact O-CB 3.28Å; D1155-A1164 HydrophobicContact CB-CB 4.05Å
1165V95.5Very high94.8Very high20 Ų2048.3 Ų48.312%0.12127%0.272CS..EExtended strand (participates in β ladder)trans-115142.2-169.4-73.20000111.5W1153 I1154 V1167 M1221 Q1225W1153-V1165 WeakPolarHBondContact CA-O 3.06Å; I1154-V1165 HydrophobicContact CG1-CG2 3.96Å; I1154-V1165 PolarHBondContact N-O 2.95Å; I1154-V1165 PolarHBondContact O-N 2.67Å; V1165-V1167 HydrophobicContact CG2-CG1 4.35Å; V1165-M1221 HydrophobicContact CG1-CG 4.3Å; V1165-M1221 HydrophobicContact CG2-CE 3.84Å; V1165-M1221 HydrophobicContact CG2-CG 4.17Å; V1165-M1221 HydrophobicContact CG2-SD 4.39Å; V1165-Q1225 HydrophobicContact CG1-CG 4.23Å; V1165-Q1225 HydrophobicContact CG2-CB 4.47Å; V1165-Q1225 HydrophobicContact CG2-CG 4.43Å
1166K96.6Very high94.9Very high84 Ų8447.8 Ų47.837%0.36527%0.269SS..EExtended strand (participates in β ladder)trans-83.8129.7174.8-153.2-170.2-167.1-160.20109.9E1151 Y1152 W1153E1151-K1166 HydrophobicContact CB-CD 4.34Å; E1151-K1166 WeakPolarHBondContact OE2-CE 3.35Å; E1151-K1166 IonicContact OE2-NZ 2.64Å; E1151-K1166 PolarHBondContact OE2-NZ 3.37Å; Y1152-K1166 CarbonylContact O-C 3.5Å; Y1152-K1166 WeakPolarHBondContact O-CA 3.31Å; W1153-K1166 HydrophobicContact CD2-CB 4.09Å; W1153-K1166 HydrophobicContact CD2-CG 4.22Å; W1153-K1166 HydrophobicContact CE3-CB 4.24Å; W1153-K1166 HydrophobicContact CG-CG 4.46Å; W1153-K1166 HydrophobicContact CH2-CB 4.2Å; W1153-K1166 HydrophobicContact CZ2-CB 4.05Å; W1153-K1166 HydrophobicContact CZ2-CD 4.23Å; W1153-K1166 HydrophobicContact CZ2-CG 4.22Å; W1153-K1166 HydrophobicContact CZ3-CB 4.29Å
1167V97.3Very high94.9Very high2 Ų247.9 Ų47.91%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-136.5158.9-175.9-62.10000110.2E1151 Y1152 I1154 V1165 T1176 F1178 M1221E1151-V1167 CarbonylContact C-O 3.11Å; E1151-V1167 VanDerWaalsContact CA-O 3.29Å; E1151-V1167 WeakPolarHBondContact CA-O 3.1Å; Y1152-V1167 PolarHBondContact N-O 3.27Å; Y1152-V1167 PolarHBondContact O-N 3.13Å; I1154-V1167 HydrophobicContact CB-CG2 4.38Å; I1154-V1167 HydrophobicContact CD1-CB 4.46Å; I1154-V1167 HydrophobicContact CD1-CG1 3.87Å; I1154-V1167 HydrophobicContact CD1-CG2 3.85Å; I1154-V1167 HydrophobicContact CG1-CB 4.45Å; I1154-V1167 HydrophobicContact CG1-CG1 3.85Å; I1154-V1167 HydrophobicContact CG1-CG2 3.7Å; I1154-V1167 HydrophobicContact CG2-CG2 3.86Å; V1165-V1167 HydrophobicContact CG2-CG1 4.35Å; V1167-T1176 HydrophobicContact CB-CG2 4.31Å; V1167-T1176 HydrophobicContact CG1-CG2 4.29Å; V1167-T1176 HydrophobicContact CG2-CG2 4.15Å; V1167-F1178 HydrophobicContact CG1-CB 4.23Å; V1167-M1221 HydrophobicContact CG1-CE 3.47Å; V1167-M1221 VanDerWaalsContact CG1-CE 3.47Å
1168F97.8Very high95Very high34 Ų3446.1 Ų46.115%0.14926%0.26CS..EExtended strand (participates in β ladder)trans-89.3119.1167.5-171.2-85.4000109.3G1150 E1151 R1170 C1177G1150-F1168 CarbonylContact O-C 3.46Å; G1150-F1168 WeakPolarHBondContact O-CA 3.48Å; E1151-F1168 HydrophobicContact CG-CD2 4.24Å; F1168-R1170 HydrophobicContact CD1-CG 4.22Å; F1168-R1170 HydrophobicContact CE1-CG 3.82Å; F1168-C1177 HydrophobicContact CB-CB 4.34Å; F1168-C1177 PolarHBondContact N-O 3.09Å; F1168-C1177 WeakPolarHBondContact O-CA 3.2Å; F1168-C1177 WeakPolarHBondContact O-CB 3.34Å; F1168-C1177 PolarHBondContact O-N 3.19Å
1169C98Very high95.3Very high0 Ų046.2 Ų46.20%026%0.257CS..EExtended strand (participates in β ladder)trans-94.4125.5172.6-64.90000110.6C1137 D1149 G1150 Y1152 L1171C1137-C1169 VanDerWaalsContact CA-SG 3.6Å; C1137-C1169 HydrophobicContact CB-CB 3.49Å; C1137-C1169 VanDerWaalsContact CB-CB 3.49Å; C1137-C1169 WeakPolarHBondContact CB-SG 3.38Å; C1137-C1169 WeakPolarHBondContact SG-CA 3.31Å; C1137-C1169 WeakPolarHBondContact SG-CB 3.08Å; C1137-C1169 CovalentContact SG-SG 2.02Å; C1137-C1169 PolarHBondContact SG-SG 2.89Å; D1149-C1169 CarbonylContact C-O 3.55Å; D1149-C1169 VanDerWaalsContact CA-O 3.28Å; D1149-C1169 WeakPolarHBondContact CA-O 3.2Å; G1150-C1169 PolarHBondContact N-O 3.14Å; G1150-C1169 PolarHBondContact O-N 3.14Å; Y1152-C1169 HydrophobicContact CD2-CB 3.65Å; Y1152-C1169 HydrophobicContact CE2-CB 4.15Å; C1169-L1171 HydrophobicContact CB-CD2 3.57Å; C1169-L1171 HydrophobicContact CB-CG 3.9Å
1170R97.3Very high95.6Very high109 Ų10942.3 Ų42.341%0.41121%0.214SC..EExtended strand (participates in β ladder)trans-91.391.1155.4-64.8169.6177.6169.2-1.2106.8D1149 F1168 N1172 S1173 G1174 E1175D1149-R1170 VanDerWaalsContact OD1-C 3.28Å; D1149-R1170 WeakPolarHBondContact OD1-CA 3.28Å; F1168-R1170 HydrophobicContact CD1-CG 4.22Å; F1168-R1170 HydrophobicContact CE1-CG 3.82Å; R1170-N1172 PolarHBondContact O-N 3.1Å; R1170-S1173 VanDerWaalsContact CB-OG 3.31Å; R1170-S1173 WeakPolarHBondContact CB-OG 3.49Å; R1170-S1173 PolarHBondContact O-N 3.15Å; R1170-S1173 PolarHBondContact O-OG 3.5Å; R1170-G1174 CarbonylContact O-C 3.42Å; R1170-G1174 VanDerWaalsContact O-CA 3.31Å; R1170-G1174 WeakPolarHBondContact O-CA 3.07Å; R1170-G1174 PolarHBondContact O-N 3.44Å; R1170-E1175 HydrophobicContact CB-CB 4.24Å; R1170-E1175 WeakPolarHBondContact CD-OE2 3.48Å; R1170-E1175 IonicContact CZ-OE2 2.69Å; R1170-E1175 PolarHBondContact N-O 2.83Å; R1170-E1175 IonicContact NH1-OE2 2.75Å; R1170-E1175 PolarHBondContact NH1-OE2 3.38Å; R1170-E1175 PolarHBondContact O-N 3.44Å
1171L95.8Very high95.7Very high14 Ų1445.9 Ų45.97%0.07323%0.23CC..THydrogen-bonded Turntrans-66.8-27.4179.9-60.4-177.7000111.9C1137 L1140 S1141 L1147 P1148 D1149 Y1152 C1169 S1173 G1174C1137-L1171 HydrophobicContact CB-CD2 4.3Å; C1137-L1171 WeakPolarHBondContact O-CD2 3.46Å; L1140-L1171 HydrophobicContact CB-CD2 3.53Å; L1140-L1171 HydrophobicContact CD1-CD2 4.47Å; S1141-L1171 WeakPolarHBondContact CB-O 3.36Å; L1147-L1171 HydrophobicContact CB-CD1 3.36Å; L1147-L1171 HydrophobicContact CD1-CD1 4.39Å; P1148-L1171 WeakPolarHBondContact O-CD1 3.45Å; D1149-L1171 WeakPolarHBondContact OD1-CA 3.17Å; D1149-L1171 PolarHBondContact OD1-N 3.32Å; Y1152-L1171 HydrophobicContact CE2-CD1 3.97Å; Y1152-L1171 HydrophobicContact CE2-CG 4.49Å; C1169-L1171 HydrophobicContact CB-CD2 3.57Å; C1169-L1171 HydrophobicContact CB-CG 3.9Å; L1171-S1173 PolarHBondContact O-N 2.81Å; L1171-G1174 PolarHBondContact O-N 2.91Å
1172N94.3Very high95.8Very high150 Ų15044.4 Ų44.480%0.80222%0.224SC*.THydrogen-bonded Turntrans-55.8-35.3170.2-76.2-60.2000113.7D1149 R1170D1149-N1172 VanDerWaalsContact CG-ND2 3.25Å; D1149-N1172 PolarHBondContact OD1-N 3.16Å; D1149-N1172 PolarHBondContact OD1-ND2 3Å; D1149-N1172 PolarHBondContact OD2-ND2 2.99Å; R1170-N1172 PolarHBondContact O-N 3.1Å
1173S95.2Very high95.8Very high38 Ų3839.5 Ų39.527%0.26621%0.212SC..THydrogen-bonded Turntrans-102.2-20.3173.955.70000113.1R1170 L1171 E1175 Q1329R1170-S1173 VanDerWaalsContact CB-OG 3.31Å; R1170-S1173 WeakPolarHBondContact CB-OG 3.49Å; R1170-S1173 PolarHBondContact O-N 3.15Å; R1170-S1173 PolarHBondContact O-OG 3.5Å; L1171-S1173 PolarHBondContact O-N 2.81Å; S1173-E1175 VanDerWaalsContact C-N 3.27Å; S1173-E1175 WeakPolarHBondContact OG-CB 3.42Å; S1173-E1175 VanDerWaalsContact OG-CD 3.29Å; S1173-E1175 WeakPolarHBondContact OG-CG 3.12Å; S1173-E1175 PolarHBondContact OG-N 3.44Å; S1173-E1175 PolarHBondContact OG-OE2 3.21Å; S1173-Q1329 PolarHBondContact O-NE2 3.37Å
1174G95.8Very high95.8Very high0 Ų040.7 Ų40.70%021%0.214CC..THydrogen-bonded Turntrans779-163.900000113.6C1137 N1138 R1170 L1171C1137-G1174 CarbonylContact C-O 3.59Å; N1138-G1174 WeakPolarHBondContact CA-O 3.4Å; N1138-G1174 WeakPolarHBondContact CB-O 3.24Å; N1138-G1174 PolarHBondContact N-O 3.05Å; R1170-G1174 CarbonylContact O-C 3.42Å; R1170-G1174 VanDerWaalsContact O-CA 3.31Å; R1170-G1174 WeakPolarHBondContact O-CA 3.07Å; R1170-G1174 PolarHBondContact O-N 3.44Å; L1171-G1174 PolarHBondContact O-N 2.91Å
1175E97.9Very high95.5Very high21 Ų2140.9 Ų40.910%0.09821%0.213CC..EExtended strand (participates in β ladder)trans-69.3133.7-179-72.6167.5144.100111.8C1137 R1170 S1173 K1235 C1327 F1328 Q1329C1137-E1175 WeakPolarHBondContact CB-O 3.45Å; R1170-E1175 HydrophobicContact CB-CB 4.24Å; R1170-E1175 WeakPolarHBondContact CD-OE2 3.48Å; R1170-E1175 IonicContact CZ-OE2 2.69Å; R1170-E1175 PolarHBondContact N-O 2.83Å; R1170-E1175 IonicContact NH1-OE2 2.75Å; R1170-E1175 PolarHBondContact NH1-OE2 3.38Å; R1170-E1175 PolarHBondContact O-N 3.44Å; S1173-E1175 VanDerWaalsContact C-N 3.27Å; S1173-E1175 WeakPolarHBondContact OG-CB 3.42Å; S1173-E1175 VanDerWaalsContact OG-CD 3.29Å; S1173-E1175 WeakPolarHBondContact OG-CG 3.12Å; S1173-E1175 PolarHBondContact OG-N 3.44Å; S1173-E1175 PolarHBondContact OG-OE2 3.21Å; E1175-K1235 IonicContact OE1-NZ 3.05Å; E1175-C1327 HydrophobicContact CB-CB 4.45Å; E1175-F1328 CarbonylContact C-O 3.59Å; E1175-F1328 WeakPolarHBondContact CA-O 3.46Å; E1175-Q1329 HydrophobicContact CG-CB 3.88Å; E1175-Q1329 HydrophobicContact CG-CG 3.86Å
1176T98.4Very high94.9Very high1 Ų145.9 Ų45.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-99.1103.6172.9-54.80000108.9C1137 I1154 V1167 L1229 C1327 F1328C1137-T1176 VanDerWaalsContact CB-OG1 3.31Å; C1137-T1176 WeakPolarHBondContact CB-OG1 3.31Å; C1137-T1176 PolarHBondContact N-OG1 3.39Å; C1137-T1176 VanDerWaalsContact N-OG1 3.08Å; C1137-T1176 VanDerWaalsContact SG-CA 3.59Å; I1154-T1176 HydrophobicContact CD1-CG2 3.38Å; V1167-T1176 HydrophobicContact CB-CG2 4.31Å; V1167-T1176 HydrophobicContact CG1-CG2 4.29Å; V1167-T1176 HydrophobicContact CG2-CG2 4.15Å; T1176-L1229 HydrophobicContact CG2-CD1 3.91Å; T1176-L1229 HydrophobicContact CG2-CD2 3.61Å; T1176-L1229 HydrophobicContact CG2-CG 4.42Å; T1176-C1327 CarbonylContact O-C 3.58Å; T1176-C1327 WeakPolarHBondContact O-CA 3.34Å; T1176-F1328 PolarHBondContact N-O 3.23Å; T1176-F1328 PolarHBondContact O-N 2.88Å
1177C98.1Very high93.6Very high2 Ų243.9 Ų43.91%0.01423%0.227CC..EExtended strand (participates in β ladder)trans-108133.7-175.6-59.90000112F1168 V1326 C1327F1168-C1177 HydrophobicContact CB-CB 4.34Å; F1168-C1177 PolarHBondContact N-O 3.09Å; F1168-C1177 WeakPolarHBondContact O-CA 3.2Å; F1168-C1177 WeakPolarHBondContact O-CB 3.34Å; F1168-C1177 PolarHBondContact O-N 3.19Å; C1177-V1326 CarbonylContact C-O 3.56Å; C1177-V1326 VanDerWaalsContact CA-O 3.26Å; C1177-V1326 WeakPolarHBondContact CA-O 3.45Å; C1177-C1327 HydrophobicContact CB-CB 4.16Å; C1177-C1327 WeakPolarHBondContact CB-SG 3.42Å; C1177-C1327 WeakPolarHBondContact SG-CB 3.3Å; C1177-C1327 CovalentContact SG-SG 2.04Å; C1177-C1327 PolarHBondContact SG-SG 3.28Å
1178F97.2Very high91.9Very high2 Ų251 Ų511%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-140.2158176.368.1-94.8000112.3V1167 Y1219 N1220 M1221 I1226 L1229 R1325 V1326 F1328V1167-F1178 HydrophobicContact CG1-CB 4.23Å; F1178-Y1219 HydrophobicContact CD2-CD1 4.27Å; F1178-Y1219 AromaticContact CE2-CD1 4Å; F1178-Y1219 HydrophobicContact CE2-CD1 4Å; F1178-Y1219 HydrophobicContact CE2-CG 4.03Å; F1178-N1220 WeakPolarHBondContact CB-OD1 3.5Å; F1178-M1221 HydrophobicContact CB-CE 3.97Å; F1178-M1221 HydrophobicContact CD1-CE 3.31Å; F1178-M1221 HydrophobicContact CD1-SD 3.97Å; F1178-M1221 HydrophobicContact CD2-CB 3.87Å; F1178-M1221 HydrophobicContact CD2-CE 4.33Å; F1178-M1221 HydrophobicContact CE1-CE 3.73Å; F1178-M1221 HydrophobicContact CE1-SD 3.74Å; F1178-M1221 HydrophobicContact CE2-CB 3.93Å; F1178-M1221 HydrophobicContact CE2-SD 4.5Å; F1178-M1221 HydrophobicContact CG-CB 4.29Å; F1178-M1221 HydrophobicContact CG-CE 3.64Å; F1178-M1221 HydrophobicContact CG-SD 4.42Å; F1178-M1221 HydrophobicContact CZ-CB 4.38Å; F1178-M1221 HydrophobicContact CZ-CE 4.42Å; F1178-M1221 HydrophobicContact CZ-SD 4.04Å; F1178-I1226 HydrophobicContact CE1-CG1 4.47Å; F1178-I1226 HydrophobicContact CE2-CD1 3.9Å; F1178-I1226 HydrophobicContact CE2-CG1 4.15Å; F1178-I1226 HydrophobicContact CZ-CD1 3.8Å; F1178-I1226 HydrophobicContact CZ-CG1 3.67Å; F1178-L1229 HydrophobicContact CD1-CD2 4.26Å; F1178-L1229 HydrophobicContact CE1-CD2 3.93Å; F1178-R1325 CarbonylContact O-C 3.57Å; F1178-R1325 VanDerWaalsContact O-CA 3.27Å; F1178-R1325 WeakPolarHBondContact O-CA 3.43Å; F1178-R1325 WeakPolarHBondContact O-CB 3.42Å; F1178-V1326 HydrophobicContact CD1-CG1 3.95Å; F1178-V1326 HydrophobicContact CD2-CG1 3.7Å; F1178-V1326 HydrophobicContact CE1-CG1 3.67Å; F1178-V1326 HydrophobicContact CE2-CG1 3.36Å; F1178-V1326 HydrophobicContact CG-CG1 3.98Å; F1178-V1326 HydrophobicContact CZ-CG1 3.35Å; F1178-V1326 PolarHBondContact N-O 3.28Å; F1178-V1326 PolarHBondContact O-N 2.95Å; F1178-F1328 HydrophobicContact CD1-CD2 4.38Å; F1178-F1328 HydrophobicContact CD1-CE2 4.4Å; F1178-F1328 AromaticContact CE1-CD2 3.69Å; F1178-F1328 HydrophobicContact CE1-CD2 3.69Å; F1178-F1328 AromaticContact CE1-CE2 3.38Å; F1178-F1328 HydrophobicContact CE1-CE2 3.38Å; F1178-F1328 HydrophobicContact CE1-CZ 4.5Å; F1178-F1328 AromaticContact CZ-CE2 3.79Å; F1178-F1328 HydrophobicContact CZ-CE2 3.79Å
1179S95.3Very high89.8Confident33 Ų3357.6 Ų57.623%0.23129%0.291CS..  trans-99.7149.6-164.6-59.40000112.2Y1219 N1220S1179-Y1219 WeakPolarHBondContact O-CA 3.49Å; S1179-N1220 PolarHBondContact N-OD1 2.96Å; S1179-N1220 VanDerWaalsContact N-OD1 3.11Å; S1179-N1220 PolarHBondContact O-N 3.12Å; S1179-N1220 PolarHBondContact O-OD1 3.22Å
1180P95.5Very high87.4Confident10 Ų1063.1 Ų63.17%0.06532%0.321CS..BIsolated β-bridgetrans-61154.5161.229.8-35.3000110.5T1182 T1218 Y1219 L1323P1180-T1182 VanDerWaalsContact C-N 3.28Å; P1180-T1218 CarbonylContact C-O 3.58Å; P1180-T1218 WeakPolarHBondContact CA-O 3.36Å; P1180-Y1219 VanDerWaalsContact CA-CD1 3.47Å; P1180-Y1219 HydrophobicContact CB-CD1 3.98Å; P1180-Y1219 HydrophobicContact CB-CE1 3.82Å; P1180-L1323 HydrophobicContact CB-CD2 3.77Å; P1180-L1323 HydrophobicContact CB-CG 4.21Å; P1180-L1323 HydrophobicContact CG-CB 4.11Å; P1180-L1323 HydrophobicContact CG-CD2 4.18Å; P1180-L1323 HydrophobicContact CG-CG 4.08Å; P1180-L1323 VanDerWaalsContact CG-O 3.27Å; P1180-L1323 WeakPolarHBondContact CG-O 3.32Å
1181L93.2Very high84.8Confident114 Ų11465.9 Ų65.960%0.59734%0.344SS*.SBendtrans-68.2-31.6173.3-89160000111.7T1218 Y1219L1181-T1218 PolarHBondContact N-O 2.84Å; L1181-Y1219 WeakPolarHBondContact CD1-O 3.37Å
1182T91.9Very high82.5Confident51 Ų5170.3 Ų70.331%0.31337%0.367SS..  trans-120.2105.9170.3-56.90000108.1P1180 F1184 Y1185P1180-T1182 VanDerWaalsContact C-N 3.28Å; T1182-F1184 WeakPolarHBondContact CG2-O 3.38Å; T1182-Y1185 HydrophobicContact CG2-CD1 4.04Å; T1182-Y1185 HydrophobicContact CG2-CD2 4Å; T1182-Y1185 HydrophobicContact CG2-CE1 3.85Å; T1182-Y1185 HydrophobicContact CG2-CE2 3.81Å; T1182-Y1185 HydrophobicContact CG2-CG 4.11Å; T1182-Y1185 WeakPolarHBondContact O-CE2 3.38Å
1183S92Very high80.4Confident73 Ų7365.9 Ų65.951%0.5135%0.346SS..SBendtrans-80.7-22.5177.253.60000113.5E1322 L1323S1183-E1322 CarbonylContact O-C 3.55Å; S1183-E1322 WeakPolarHBondContact O-CA 3.4Å; S1183-L1323 PolarHBondContact O-N 3.33Å
1184F92.9Very high78.2Confident90 Ų9069.3 Ų69.340%0.39536%0.362SS..EExtended strand (participates in β ladder)trans-136.3116.8-179.5-167.6-108.4000111.5T1182 Q1186 L1243 L1321 E1322T1182-F1184 WeakPolarHBondContact CG2-O 3.38Å; F1184-Q1186 HydrophobicContact CD1-CB 4.24Å; F1184-Q1186 HydrophobicContact CE1-CB 3.77Å; F1184-Q1186 HydrophobicContact CE1-CG 4.16Å; F1184-L1243 HydrophobicContact CE2-CD1 3.67Å; F1184-L1243 HydrophobicContact CZ-CD1 3.74Å; F1184-L1321 WeakPolarHBondContact CA-O 3.47Å; F1184-E1322 HydrophobicContact CD2-CB 4.06Å; F1184-E1322 HydrophobicContact CD2-CG 4.38Å; F1184-E1322 HydrophobicContact CE2-CB 4.46Å
1185Y89.3Confident76Confident11 Ų1174 Ų744%0.04339%0.385CS..EExtended strand (participates in β ladder)trans-99.7129.9170.7-64.2-96.4000108.3T1182 F1208 E1214 F1217 G1320 L1321 L1323T1182-Y1185 HydrophobicContact CG2-CD1 4.04Å; T1182-Y1185 HydrophobicContact CG2-CD2 4Å; T1182-Y1185 HydrophobicContact CG2-CE1 3.85Å; T1182-Y1185 HydrophobicContact CG2-CE2 3.81Å; T1182-Y1185 HydrophobicContact CG2-CG 4.11Å; T1182-Y1185 WeakPolarHBondContact O-CE2 3.38Å; Y1185-F1208 HydrophobicContact CD1-CE1 4.14Å; Y1185-F1208 HydrophobicContact CD2-CE1 4.41Å; Y1185-F1208 AromaticContact CG-CE1 3.93Å; Y1185-F1208 HydrophobicContact CG-CE1 3.93Å; Y1185-F1208 HydrophobicContact CG-CZ 4.31Å; Y1185-E1214 HydrophobicContact CD1-CG 4.29Å; Y1185-E1214 HydrophobicContact CE1-CG 4.13Å; Y1185-F1217 AromaticContact CE2-CD1 3.96Å; Y1185-F1217 HydrophobicContact CE2-CD1 3.96Å; Y1185-F1217 HydrophobicContact CE2-CE1 4.06Å; Y1185-F1217 AromaticContact CZ-CD1 3.89Å; Y1185-G1320 CarbonylContact O-C 3.56Å; Y1185-G1320 WeakPolarHBondContact O-CA 3.07Å; Y1185-L1321 HydrophobicContact CD2-CD2 4.2Å; Y1185-L1321 HydrophobicContact CD2-CG 4.42Å; Y1185-L1321 PolarHBondContact N-O 3.04Å; Y1185-L1321 PolarHBondContact O-N 3.42Å; Y1185-L1323 HydrophobicContact CE2-CD2 4.48Å
1186Q82.4Confident73.8Confident125 Ų12574.6 Ų74.658%0.58439%0.392SS*.EExtended strand (participates in β ladder)trans-126.9138.1178.2-168175.6-4.700111F1184 H1188F1184-Q1186 HydrophobicContact CD1-CB 4.24Å; F1184-Q1186 HydrophobicContact CE1-CB 3.77Å; F1184-Q1186 HydrophobicContact CE1-CG 4.16Å; Q1186-H1188 PolarHBondContact O-N 3.1Å; Q1186-H1188 VanDerWaalsContact O-N 3.08Å
1187Q70.8Confident71.6Confident42 Ų4278.4 Ų78.420%0.19641%0.408CS..  trans-73.5104177.9-161168.377.800109.8Q1189 Y1212 S1315 Q1316 L1319Q1187-Q1189 PolarHBondContact O-N 3.11Å; Q1187-Y1212 HydrophobicContact CB-CE1 4.01Å; Q1187-Y1212 HydrophobicContact CG-CE1 4.43Å; Q1187-S1315 PolarHBondContact NE2-O 3.1Å; Q1187-Q1316 PolarHBondContact OE1-O 3.38Å; Q1187-L1319 PolarHBondContact N-O 3.48Å
1188H61.4Low69.5Low151 Ų15186 Ų8670%0.69944%0.441SS*.  trans-61.8126.8172.4-76.6-84.1000110.1Q1186 N1190Q1186-H1188 PolarHBondContact O-N 3.1Å; Q1186-H1188 VanDerWaalsContact O-N 3.08Å; H1188-N1190 PolarHBondContact O-N 3.49Å
1189Q53.7Low67.8Low172 Ų17291 Ų9180%0.80446%0.463SS*.  trans-74.260.8175.3-70.1-170.8-17.600111.8Q1187Q1187-Q1189 PolarHBondContact O-N 3.11Å
1190N46.9Very low66.2Low116 Ų11691 Ų9162%0.6246%0.458SS*.  trans-77.3129.5167.1-70.4-19.7000108.3H1188 N1192H1188-N1190 PolarHBondContact O-N 3.49Å; N1190-N1192 PolarHBondContact O-N 3.13Å
1191N42.9Very low64.5Low167 Ų16794.7 Ų94.789%0.89348%0.484SS*.THydrogen-bonded Turntrans-65.213-175.6-68.9-26.5000115.3
1192N47.1Very low63.2Low107 Ų10796.8 Ų96.857%0.57250%0.496SS*.THydrogen-bonded Turntrans-100.711.9-178.1-146.725.9000112.9N1190 D1194 I1195N1190-N1192 PolarHBondContact O-N 3.13Å; N1192-D1194 PolarHBondContact O-N 3.35Å; N1192-I1195 PolarHBondContact O-N 3.37Å; N1192-I1195 VanDerWaalsContact O-N 3.13Å; N1192-I1195 WeakPolarHBondContact OD1-CD1 3.29Å
1193T50.2Low62Low58 Ų5898.3 Ų98.336%0.35650%0.5SS..Hα-helixtrans-53.5-35.6179.837.10000113.4I1195 S1196 K1197 Q1316T1193-I1195 PolarHBondContact O-N 3.33Å; T1193-I1195 VanDerWaalsContact O-N 3.12Å; T1193-S1196 PolarHBondContact O-N 2.94Å; T1193-S1196 PolarHBondContact O-OG 3.3Å; T1193-S1196 VanDerWaalsContact O-OG 3.11Å; T1193-K1197 PolarHBondContact O-N 3.04Å; T1193-Q1316 PolarHBondContact O-NE2 3.37Å
1194D49.2Very low61.2Low110 Ų110103 Ų10359%0.58851%0.51SS*.Hα-helixtrans-61.8-24.8-178.8-15642.7000113N1192 K1198N1192-D1194 PolarHBondContact O-N 3.35Å; D1194-K1198 PolarHBondContact O-N 2.73Å
1195I49.4Very low60.8Low97 Ų97101 Ų10150%0.49750%0.504SS..Hα-helixtrans-71.5-40.8172.8-57.5-168.2000111.4N1192 T1193 K1197 K1198 K1199N1192-I1195 PolarHBondContact O-N 3.37Å; N1192-I1195 VanDerWaalsContact O-N 3.13Å; N1192-I1195 WeakPolarHBondContact OD1-CD1 3.29Å; T1193-I1195 PolarHBondContact O-N 3.33Å; T1193-I1195 VanDerWaalsContact O-N 3.12Å; I1195-K1197 VanDerWaalsContact C-N 3.32Å; I1195-K1197 PolarHBondContact O-N 3.21Å; I1195-K1198 PolarHBondContact O-N 3.22Å; I1195-K1199 VanDerWaalsContact O-CB 3.28Å; I1195-K1199 WeakPolarHBondContact O-CB 3.16Å; I1195-K1199 PolarHBondContact O-N 3.17Å
1196S52.2Low60.6Low34 Ų34101.5 Ų101.524%0.23851%0.507CS..Hα-helixtrans-66.4-35.4-178.876.70000112.1T1193 K1199 Y1200 Q1316T1193-S1196 PolarHBondContact O-N 2.94Å; T1193-S1196 PolarHBondContact O-OG 3.3Å; T1193-S1196 VanDerWaalsContact O-OG 3.11Å; S1196-K1199 PolarHBondContact O-N 2.95Å; S1196-Y1200 WeakPolarHBondContact O-CD2 3.46Å; S1196-Y1200 PolarHBondContact O-N 2.85Å; S1196-Q1316 PolarHBondContact OG-NE2 3.41Å
1197K51.9Low60.9Low81 Ų8198.6 Ų98.635%0.35249%0.491SS..Hα-helixtrans-61.3-48.2171.2-98.2171.2177.3153.90112.2T1193 I1195 S1201 D1314 Q1316T1193-K1197 PolarHBondContact O-N 3.04Å; I1195-K1197 VanDerWaalsContact C-N 3.32Å; I1195-K1197 PolarHBondContact O-N 3.21Å; K1197-S1201 WeakPolarHBondContact O-CB 3.4Å; K1197-S1201 PolarHBondContact O-N 2.91Å; K1197-D1314 WeakPolarHBondContact CE-OD1 3.47Å; K1197-D1314 IonicContact NZ-OD1 2.97Å; K1197-D1314 PolarHBondContact NZ-OD1 3.32Å; K1197-D1314 IonicContact NZ-OD2 3.86Å; K1197-D1314 PolarHBondContact NZ-OD2 2.99Å; K1197-Q1316 VanDerWaalsContact CE-OE1 3.27Å
1198K53.3Low61.8Low161 Ų16196.6 Ų96.670%0.748%0.482SS*.Hα-helixtrans-65.8-38.1176.7-85.2178.4175.4165.40113.9D1194 I1195 Y1200D1194-K1198 PolarHBondContact O-N 2.73Å; I1195-K1198 PolarHBondContact O-N 3.22Å; K1198-Y1200 PolarHBondContact O-N 3.17Å
1199K62.3Low63Low108 Ų10890.2 Ų90.247%0.4745%0.454SS..Hα-helixtrans-64.5-26.2-177.5-170.1-179.6178.3-149.90113.1I1195 S1196 E1213I1195-K1199 VanDerWaalsContact O-CB 3.28Å; I1195-K1199 WeakPolarHBondContact O-CB 3.16Å; I1195-K1199 PolarHBondContact O-N 3.17Å; S1196-K1199 PolarHBondContact O-N 2.95Å; K1199-E1213 IonicContact NZ-OE1 3.98Å; K1199-E1213 PolarHBondContact NZ-OE1 2.9Å
1200Y62.5Low64.5Low34 Ų3485.4 Ų85.413%0.13343%0.432CS..Hα-helixtrans-126.34.2-173.3-61.6-68000115.3S1196 K1198 D1202 Q1203S1196-Y1200 WeakPolarHBondContact O-CD2 3.46Å; S1196-Y1200 PolarHBondContact O-N 2.85Å; K1198-Y1200 PolarHBondContact O-N 3.17Å; Y1200-D1202 PolarHBondContact O-N 2.9Å; Y1200-D1202 VanDerWaalsContact O-N 3.09Å; Y1200-Q1203 PolarHBondContact O-N 3.2Å
1201S58.8Low66Low86 Ų8680.7 Ų80.760%0.60141%0.406SS*.THydrogen-bonded Turntrans-57.8-26.2-176.9-168.70000114.9K1197K1197-S1201 WeakPolarHBondContact O-CB 3.4Å; K1197-S1201 PolarHBondContact O-N 2.91Å
1202D65.5Low67.7Low159 Ų15974.7 Ų74.785%0.8537%0.371SS*.THydrogen-bonded Turntrans-94-8.5-179.6-61-38.8000113.2Y1200Y1200-D1202 PolarHBondContact O-N 2.9Å; Y1200-D1202 VanDerWaalsContact O-N 3.09Å
1203Q67.3Low69.1Low83 Ų8376.8 Ų76.839%0.38838%0.378SS..  trans-81.5131.4-179.8-76.3-163.8-2200111.9Y1200 D1205 I1206Y1200-Q1203 PolarHBondContact O-N 3.2Å; Q1203-D1205 VanDerWaalsContact C-N 3.33Å; Q1203-D1205 PolarHBondContact O-N 2.89Å; Q1203-I1206 HydrophobicContact CB-CG1 4.44Å
1204K74.1Confident70.3Confident170 Ų17078.6 Ų78.674%0.73938%0.382SS*.SBendtrans-78.2-18.4-173-144.9179.4-171.6179.90114N1311K1204-N1311 VanDerWaalsContact O-CB 3.31Å; K1204-N1311 WeakPolarHBondContact O-CB 3.47Å; K1204-N1311 PolarHBondContact O-N 3.27Å; K1204-N1311 VanDerWaalsContact O-N 3.14Å
1205D84.9Confident72Confident49 Ų4981.5 Ų81.526%0.26239%0.39SS..EExtended strand (participates in β ladder)trans-149.4133.2177-77-42.9000106.5Q1203 R1256 I1308 L1309 P1310Q1203-D1205 VanDerWaalsContact C-N 3.33Å; Q1203-D1205 PolarHBondContact O-N 2.89Å; D1205-R1256 IonicContact OD1-CZ 3.95Å; D1205-R1256 IonicContact OD1-NH1 3.78Å; D1205-R1256 PolarHBondContact OD1-NH1 3.06Å; D1205-R1256 IonicContact OD1-NH2 2.78Å; D1205-R1256 IonicContact OD2-CZ 2.78Å; D1205-R1256 VanDerWaalsContact OD2-CZ 3.28Å; D1205-R1256 IonicContact OD2-NH1 3.25Å; D1205-R1256 PolarHBondContact OD2-NH1 2.96Å; D1205-R1256 IonicContact OD2-NH2 3.28Å; D1205-R1256 PolarHBondContact OD2-NH2 2.97Å; D1205-I1308 HydrophobicContact CB-CG2 3.68Å; D1205-L1309 WeakPolarHBondContact CA-O 3.22Å; D1205-P1310 WeakPolarHBondContact OD1-CA 3.33Å
1206I85.8Confident74Confident22 Ų2281 Ų8111%0.11339%0.385CS..EExtended strand (participates in β ladder)trans-115.2129-178.1-60.2173.9000109Q1203 L1211 L1309Q1203-I1206 HydrophobicContact CB-CG1 4.44Å; I1206-L1211 HydrophobicContact CG2-CB 4.09Å; I1206-L1309 PolarHBondContact N-O 3.03Å; I1206-L1309 PolarHBondContact O-N 3.25Å
1207W89.4Confident76Confident63 Ų6379.4 Ų79.424%0.23937%0.374CS..EExtended strand (participates in β ladder)trans-81.1141.8176.9-61.774.5000110.6S1209 Q1210 L1211 F1258 D1306 I1307 I1308W1207-S1209 VanDerWaalsContact C-N 3.34Å; W1207-S1209 PolarHBondContact O-N 2.94Å; W1207-Q1210 HydrophobicContact CB-CB 4.2Å; W1207-Q1210 HydrophobicContact CB-CG 3.95Å; W1207-Q1210 WeakPolarHBondContact O-CB 3.41Å; W1207-Q1210 PolarHBondContact O-N 3Å; W1207-Q1210 VanDerWaalsContact O-N 3.15Å; W1207-L1211 PolarHBondContact O-N 2.68Å; W1207-F1258 HydrophobicContact CH2-CD1 4.47Å; W1207-F1258 AromaticContact CH2-CD2 3.68Å; W1207-F1258 HydrophobicContact CH2-CD2 3.68Å; W1207-F1258 AromaticContact CH2-CE2 3.84Å; W1207-F1258 HydrophobicContact CH2-CE2 3.84Å; W1207-F1258 HydrophobicContact CH2-CG 4.01Å; W1207-F1258 HydrophobicContact CH2-CZ 4.31Å; W1207-F1258 HydrophobicContact CZ3-CB 3.87Å; W1207-F1258 AromaticContact CZ3-CD1 3.91Å; W1207-F1258 HydrophobicContact CZ3-CD1 3.91Å; W1207-F1258 AromaticContact CZ3-CD2 3.78Å; W1207-F1258 HydrophobicContact CZ3-CD2 3.78Å; W1207-F1258 HydrophobicContact CZ3-CE1 4.37Å; W1207-F1258 HydrophobicContact CZ3-CE2 4.24Å; W1207-F1258 AromaticContact CZ3-CG 3.6Å; W1207-F1258 HydrophobicContact CZ3-CG 3.6Å; W1207-F1258 HydrophobicContact CZ3-CZ 4.5Å; W1207-D1306 HydrophobicContact CE3-CB 3.78Å; W1207-D1306 HydrophobicContact CZ3-CB 4.07Å; W1207-I1307 CarbonylContact C-O 3.56Å; W1207-I1308 HydrophobicContact CD2-CG1 4.04Å; W1207-I1308 HydrophobicContact CE3-CD1 4.41Å; W1207-I1308 HydrophobicContact CE3-CG1 3.84Å; W1207-I1308 HydrophobicContact CH2-CD1 3.58Å; W1207-I1308 HydrophobicContact CH2-CG1 3.94Å; W1207-I1308 HydrophobicContact CZ2-CD1 3.81Å; W1207-I1308 HydrophobicContact CZ2-CG1 4.12Å; W1207-I1308 HydrophobicContact CZ3-CD1 3.91Å; W1207-I1308 HydrophobicContact CZ3-CG1 3.79Å
1208F88.7Confident77.9Confident0 Ų078.5 Ų78.50%038%0.375CS..Hα-helixtrans-64.8-39.9-177.9-175.5-83.1000111.3Y1185 Q1210 L1211 Y1212 F1217 D1306 I1307 L1321Y1185-F1208 HydrophobicContact CD1-CE1 4.14Å; Y1185-F1208 HydrophobicContact CD2-CE1 4.41Å; Y1185-F1208 AromaticContact CG-CE1 3.93Å; Y1185-F1208 HydrophobicContact CG-CE1 3.93Å; Y1185-F1208 HydrophobicContact CG-CZ 4.31Å; F1208-Q1210 PolarHBondContact O-N 3.13Å; F1208-L1211 PolarHBondContact O-N 3.38Å; F1208-Y1212 HydrophobicContact CD1-CD2 4.11Å; F1208-Y1212 HydrophobicContact CD2-CD2 4.08Å; F1208-Y1212 AromaticContact CD2-CE2 3.89Å; F1208-Y1212 HydrophobicContact CD2-CE2 3.89Å; F1208-Y1212 HydrophobicContact CE1-CD1 4.45Å; F1208-Y1212 AromaticContact CE1-CD2 3.8Å; F1208-Y1212 HydrophobicContact CE1-CD2 3.8Å; F1208-Y1212 HydrophobicContact CE1-CE2 4.12Å; F1208-Y1212 HydrophobicContact CE1-CG 4.01Å; F1208-Y1212 AromaticContact CE2-CD2 3.77Å; F1208-Y1212 HydrophobicContact CE2-CD2 3.77Å; F1208-Y1212 AromaticContact CE2-CE2 3.31Å; F1208-Y1212 HydrophobicContact CE2-CE2 3.31Å; F1208-Y1212 AromaticContact CE2-CZ 3.81Å; F1208-Y1212 HydrophobicContact CG-CD2 4.23Å; F1208-Y1212 HydrophobicContact CZ-CD1 4.26Å; F1208-Y1212 AromaticContact CZ-CD2 3.61Å; F1208-Y1212 HydrophobicContact CZ-CD2 3.61Å; F1208-Y1212 HydrophobicContact CZ-CE1 4.06Å; F1208-Y1212 AromaticContact CZ-CE2 3.43Å; F1208-Y1212 HydrophobicContact CZ-CE2 3.43Å; F1208-Y1212 VanDerWaalsContact CZ-CE2 3.43Å; F1208-Y1212 HydrophobicContact CZ-CG 4.05Å; F1208-Y1212 AromaticContact CZ-CZ 3.67Å; F1208-Y1212 PolarHBondContact O-N 3.43Å; F1208-F1217 AromaticContact CD1-CE1 3.91Å; F1208-F1217 HydrophobicContact CD1-CE1 3.91Å; F1208-F1217 HydrophobicContact CD1-CZ 4.14Å; F1208-F1217 HydrophobicContact CE1-CE1 4.29Å; F1208-D1306 WeakPolarHBondContact CB-OD1 3.02Å; F1208-D1306 PolarHBondContact N-OD1 2.93Å; F1208-D1306 VanDerWaalsContact N-OD1 3.17Å; F1208-I1307 HydrophobicContact CB-CB 3.99Å; F1208-I1307 WeakPolarHBondContact CB-O 3Å; F1208-I1307 PolarHBondContact N-O 2.94Å; F1208-L1321 HydrophobicContact CD1-CD2 4.18Å; F1208-L1321 HydrophobicContact CE1-CB 4.28Å; F1208-L1321 HydrophobicContact CE1-CD2 3.87Å; F1208-L1321 HydrophobicContact CE2-CB 3.79Å; F1208-L1321 HydrophobicContact CE2-CD2 4.22Å; F1208-L1321 HydrophobicContact CZ-CB 3.52Å; F1208-L1321 HydrophobicContact CZ-CD2 3.89Å; F1208-L1321 HydrophobicContact CZ-CG 4.37Å
1209S87.5Confident79.9Confident17 Ų1771.4 Ų71.412%0.11934%0.344CS..Hα-helixtrans-51.9-49.7169.156.50000112.5W1207 L1211 Y1212 E1213 E1214 D1306W1207-S1209 VanDerWaalsContact C-N 3.34Å; W1207-S1209 PolarHBondContact O-N 2.94Å; S1209-L1211 PolarHBondContact O-N 3.18Å; S1209-Y1212 PolarHBondContact O-N 3.13Å; S1209-E1213 WeakPolarHBondContact O-CA 3.29Å; S1209-E1213 PolarHBondContact O-N 2.85Å; S1209-E1214 WeakPolarHBondContact CB-O 3.31Å; S1209-E1214 PolarHBondContact O-N 3.14Å; S1209-D1306 VanDerWaalsContact CB-OD2 3.23Å; S1209-D1306 WeakPolarHBondContact CB-OD2 3.49Å; S1209-D1306 PolarHBondContact N-OD1 3.05Å; S1209-D1306 VanDerWaalsContact N-OD1 3.15Å; S1209-D1306 PolarHBondContact OG-OD2 3.2Å
1210Q83.9Confident81.3Confident71 Ų7169.9 Ų69.933%0.33234%0.341SS..Hα-helixtrans-65.6-36.5179.1-67.2174.3-14.500113.1W1207 F1208W1207-Q1210 HydrophobicContact CB-CB 4.2Å; W1207-Q1210 HydrophobicContact CB-CG 3.95Å; W1207-Q1210 WeakPolarHBondContact O-CB 3.41Å; W1207-Q1210 PolarHBondContact O-N 3Å; W1207-Q1210 VanDerWaalsContact O-N 3.15Å; F1208-Q1210 PolarHBondContact O-N 3.13Å
1211L78.6Confident82.8Confident17 Ų1768.8 Ų68.89%0.08934%0.337CS..Hα-helixtrans-69.2-35.8179.9174.563.8000112.9I1206 W1207 F1208 S1209 L1309I1206-L1211 HydrophobicContact CG2-CB 4.09Å; W1207-L1211 PolarHBondContact O-N 2.68Å; F1208-L1211 PolarHBondContact O-N 3.38Å; S1209-L1211 PolarHBondContact O-N 3.18Å; L1211-L1309 HydrophobicContact CD2-CD1 3.66Å
1212Y78.8Confident84.4Confident41 Ų4171.2 Ų71.216%0.16134%0.339CS..Hα-helixtrans-96.4-0.9-179.6-78.9-108.1000113.1Q1187 F1208 S1209 E1214 I1318Q1187-Y1212 HydrophobicContact CB-CE1 4.01Å; Q1187-Y1212 HydrophobicContact CG-CE1 4.43Å; F1208-Y1212 HydrophobicContact CD1-CD2 4.11Å; F1208-Y1212 HydrophobicContact CD2-CD2 4.08Å; F1208-Y1212 AromaticContact CD2-CE2 3.89Å; F1208-Y1212 HydrophobicContact CD2-CE2 3.89Å; F1208-Y1212 HydrophobicContact CE1-CD1 4.45Å; F1208-Y1212 AromaticContact CE1-CD2 3.8Å; F1208-Y1212 HydrophobicContact CE1-CD2 3.8Å; F1208-Y1212 HydrophobicContact CE1-CE2 4.12Å; F1208-Y1212 HydrophobicContact CE1-CG 4.01Å; F1208-Y1212 AromaticContact CE2-CD2 3.77Å; F1208-Y1212 HydrophobicContact CE2-CD2 3.77Å; F1208-Y1212 AromaticContact CE2-CE2 3.31Å; F1208-Y1212 HydrophobicContact CE2-CE2 3.31Å; F1208-Y1212 AromaticContact CE2-CZ 3.81Å; F1208-Y1212 HydrophobicContact CG-CD2 4.23Å; F1208-Y1212 HydrophobicContact CZ-CD1 4.26Å; F1208-Y1212 AromaticContact CZ-CD2 3.61Å; F1208-Y1212 HydrophobicContact CZ-CD2 3.61Å; F1208-Y1212 HydrophobicContact CZ-CE1 4.06Å; F1208-Y1212 AromaticContact CZ-CE2 3.43Å; F1208-Y1212 HydrophobicContact CZ-CE2 3.43Å; F1208-Y1212 VanDerWaalsContact CZ-CE2 3.43Å; F1208-Y1212 HydrophobicContact CZ-CG 4.05Å; F1208-Y1212 AromaticContact CZ-CZ 3.67Å; F1208-Y1212 PolarHBondContact O-N 3.43Å; S1209-Y1212 PolarHBondContact O-N 3.13Å; Y1212-E1214 PolarHBondContact O-N 3.32Å; Y1212-I1318 PolarHBondContact OH-O 2.92Å; Y1212-I1318 VanDerWaalsContact OH-O 3.1Å
1213E76.5Confident85.6Confident151 Ų15167.9 Ų67.971%0.70632%0.32SS*.THydrogen-bonded Turntrans52.131.2-170.4-56.7-16614500112.9K1199 S1209K1199-E1213 IonicContact NZ-OE1 3.98Å; K1199-E1213 PolarHBondContact NZ-OE1 2.9Å; S1209-E1213 WeakPolarHBondContact O-CA 3.29Å; S1209-E1213 PolarHBondContact O-N 2.85Å
1214E76.7Confident86.9Confident97 Ų9768.9 Ų68.945%0.45333%0.328SS..PPolyproline II helixtrans-98.9166.3-177.1-93.6-68.9178.800112.3Y1185 S1209 Y1212Y1185-E1214 HydrophobicContact CD1-CG 4.29Å; Y1185-E1214 HydrophobicContact CE1-CG 4.13Å; S1209-E1214 WeakPolarHBondContact CB-O 3.31Å; S1209-E1214 PolarHBondContact O-N 3.14Å; Y1212-E1214 PolarHBondContact O-N 3.32Å
1215K84.3Confident87.9Confident170 Ų17061 Ų6174%0.73929%0.294SS*.PPolyproline II helixtrans-80158.9168.5-69.5-177.1179.9178.60110.9
1216Q90.8Very high88.5Confident86 Ų8658.7 Ų58.740%0.40228%0.281SS..SBendtrans-52.5153.1167.2-78.7-171.8-11.600111.6T1218 R1305 D1306Q1216-T1218 WeakPolarHBondContact O-CG2 3.45Å; Q1216-T1218 PolarHBondContact O-N 3.43Å; Q1216-R1305 CarbonylContact C-O 3.54Å; Q1216-R1305 WeakPolarHBondContact CA-O 3.46Å; Q1216-R1305 VanDerWaalsContact CB-O 3.3Å; Q1216-R1305 WeakPolarHBondContact CB-O 3.28Å; Q1216-D1306 HydrophobicContact CG-CB 4.44Å
1217F93.9Very high88.9Confident2 Ų260.5 Ų60.51%0.00929%0.291CS..PPolyproline II helixtrans-57.9124.5-172.6-51.8-35.3000112Y1185 F1208 Y1219 L1304 R1305 I1307 L1321 L1323Y1185-F1217 AromaticContact CE2-CD1 3.96Å; Y1185-F1217 HydrophobicContact CE2-CD1 3.96Å; Y1185-F1217 HydrophobicContact CE2-CE1 4.06Å; Y1185-F1217 AromaticContact CZ-CD1 3.89Å; F1208-F1217 AromaticContact CD1-CE1 3.91Å; F1208-F1217 HydrophobicContact CD1-CE1 3.91Å; F1208-F1217 HydrophobicContact CD1-CZ 4.14Å; F1208-F1217 HydrophobicContact CE1-CE1 4.29Å; F1217-Y1219 HydrophobicContact CB-CE2 3.94Å; F1217-Y1219 WeakPolarHBondContact O-CE2 3.45Å; F1217-L1304 HydrophobicContact CD2-CB 4.47Å; F1217-R1305 VanDerWaalsContact CD2-C 3.43Å; F1217-R1305 PolarHBondContact N-O 3.27Å; F1217-R1305 PolarHBondContact O-NH1 3.06Å; F1217-I1307 HydrophobicContact CE2-CD1 4.49Å; F1217-I1307 HydrophobicContact CE2-CG1 3.95Å; F1217-I1307 HydrophobicContact CZ-CD1 4.33Å; F1217-I1307 HydrophobicContact CZ-CG1 3.98Å; F1217-L1321 HydrophobicContact CE1-CD2 3.67Å; F1217-L1321 HydrophobicContact CE2-CD2 4.19Å; F1217-L1321 HydrophobicContact CZ-CD2 3.33Å; F1217-L1323 HydrophobicContact CB-CD2 3.74Å; F1217-L1323 HydrophobicContact CD1-CD2 3.99Å; F1217-L1323 HydrophobicContact CD2-CD1 4.22Å; F1217-L1323 HydrophobicContact CD2-CD2 3.79Å; F1217-L1323 HydrophobicContact CE2-CD1 4.34Å; F1217-L1323 HydrophobicContact CE2-CD2 4.43Å; F1217-L1323 HydrophobicContact CG-CD2 3.57Å
1218T92.8Very high89.3Confident62 Ų6261.4 Ų61.438%0.3830%0.297SS..  trans-112157.5178.3560000110.3P1180 L1181 Q1216P1180-T1218 CarbonylContact C-O 3.58Å; P1180-T1218 WeakPolarHBondContact CA-O 3.36Å; L1181-T1218 PolarHBondContact N-O 2.84Å; Q1216-T1218 WeakPolarHBondContact O-CG2 3.45Å; Q1216-T1218 PolarHBondContact O-N 3.43Å
1219Y94.8Very high89.7Confident12 Ų1261.4 Ų61.45%0.04730%0.297CS..BIsolated β-bridgetrans-135.7157.5-168-65.1-97.4000110.8F1178 S1179 P1180 L1181 F1217 M1221 Q1238 P1303 L1304 V1326F1178-Y1219 HydrophobicContact CD2-CD1 4.27Å; F1178-Y1219 AromaticContact CE2-CD1 4Å; F1178-Y1219 HydrophobicContact CE2-CD1 4Å; F1178-Y1219 HydrophobicContact CE2-CG 4.03Å; S1179-Y1219 WeakPolarHBondContact O-CA 3.49Å; P1180-Y1219 VanDerWaalsContact CA-CD1 3.47Å; P1180-Y1219 HydrophobicContact CB-CD1 3.98Å; P1180-Y1219 HydrophobicContact CB-CE1 3.82Å; L1181-Y1219 WeakPolarHBondContact CD1-O 3.37Å; F1217-Y1219 HydrophobicContact CB-CE2 3.94Å; F1217-Y1219 WeakPolarHBondContact O-CE2 3.45Å; Y1219-M1221 PolarHBondContact O-N 2.59Å; Y1219-Q1238 PolarHBondContact OH-NE2 3.16Å; Y1219-P1303 HydrophobicContact CD1-CB 4.21Å; Y1219-P1303 HydrophobicContact CD2-CB 3.89Å; Y1219-P1303 HydrophobicContact CD2-CG 3.77Å; Y1219-P1303 HydrophobicContact CE1-CB 3.76Å; Y1219-P1303 HydrophobicContact CE2-CB 3.41Å; Y1219-P1303 VanDerWaalsContact CE2-CB 3.41Å; Y1219-P1303 HydrophobicContact CE2-CG 3.71Å; Y1219-P1303 HydrophobicContact CG-CB 4.3Å; Y1219-P1303 HydrophobicContact CG-CG 4.3Å; Y1219-L1304 WeakPolarHBondContact CE2-O 3.5Å; Y1219-L1304 PolarHBondContact OH-O 2.67Å; Y1219-V1326 HydrophobicContact CD1-CG1 4.1Å; Y1219-V1326 HydrophobicContact CE1-CG1 4.19Å
1220N92.7Very high90.2Very high75 Ų7561.3 Ų61.340%0.40130%0.295SS..SBendtrans-74.221.6-178.273.9-20.9000114.3F1178 S1179F1178-N1220 WeakPolarHBondContact CB-OD1 3.5Å; S1179-N1220 PolarHBondContact N-OD1 2.96Å; S1179-N1220 VanDerWaalsContact N-OD1 3.11Å; S1179-N1220 PolarHBondContact O-N 3.12Å; S1179-N1220 PolarHBondContact O-OD1 3.22Å
1221M93.8Very high90.7Very high11 Ų1164.3 Ų64.35%0.05431%0.312CS..SBendtrans-138.9132.7-179.6-174.3-178-62.700109.2V1165 V1167 F1178 Y1219 Q1225 I1226 L1229V1165-M1221 HydrophobicContact CG1-CG 4.3Å; V1165-M1221 HydrophobicContact CG2-CE 3.84Å; V1165-M1221 HydrophobicContact CG2-CG 4.17Å; V1165-M1221 HydrophobicContact CG2-SD 4.39Å; V1167-M1221 HydrophobicContact CG1-CE 3.47Å; V1167-M1221 VanDerWaalsContact CG1-CE 3.47Å; F1178-M1221 HydrophobicContact CB-CE 3.97Å; F1178-M1221 HydrophobicContact CD1-CE 3.31Å; F1178-M1221 HydrophobicContact CD1-SD 3.97Å; F1178-M1221 HydrophobicContact CD2-CB 3.87Å; F1178-M1221 HydrophobicContact CD2-CE 4.33Å; F1178-M1221 HydrophobicContact CE1-CE 3.73Å; F1178-M1221 HydrophobicContact CE1-SD 3.74Å; F1178-M1221 HydrophobicContact CE2-CB 3.93Å; F1178-M1221 HydrophobicContact CE2-SD 4.5Å; F1178-M1221 HydrophobicContact CG-CB 4.29Å; F1178-M1221 HydrophobicContact CG-CE 3.64Å; F1178-M1221 HydrophobicContact CG-SD 4.42Å; F1178-M1221 HydrophobicContact CZ-CB 4.38Å; F1178-M1221 HydrophobicContact CZ-CE 4.42Å; F1178-M1221 HydrophobicContact CZ-SD 4.04Å; Y1219-M1221 PolarHBondContact O-N 2.59Å; M1221-Q1225 HydrophobicContact CG-CB 3.66Å; M1221-Q1225 HydrophobicContact SD-CB 3.95Å; M1221-I1226 HydrophobicContact CB-CD1 4.39Å; M1221-I1226 HydrophobicContact CB-CG1 4.07Å; M1221-I1226 HydrophobicContact CG-CG1 3.8Å; M1221-I1226 WeakPolarHBondContact O-CD1 3.31Å; M1221-I1226 HydrophobicContact SD-CG1 3.73Å; M1221-L1229 HydrophobicContact CE-CD2 4.22Å; M1221-L1229 HydrophobicContact SD-CD2 4.25Å
1222E92Very high91.6Very high137 Ų13766.4 Ų66.464%0.6432%0.323SS*.  trans-68.5150.7178.6-69.1-165.4173.200112.7N1224 Q1225 I1226E1222-N1224 PolarHBondContact O-N 3.37Å; E1222-N1224 VanDerWaalsContact O-N 3.1Å; E1222-Q1225 PolarHBondContact O-N 3.07Å; E1222-I1226 WeakPolarHBondContact O-CG1 3.44Å; E1222-I1226 PolarHBondContact O-N 3.42Å
1223M91.4Very high92.5Very high89 Ų8965.3 Ų65.344%0.43832%0.321SS..Hα-helixtrans-55.1-33.7-177.1-165.368.5161.300113.2I1226 N1227 N1260 R1305M1223-I1226 PolarHBondContact O-N 3.32Å; M1223-N1227 WeakPolarHBondContact O-CB 3.34Å; M1223-N1227 PolarHBondContact O-N 3.17Å; M1223-N1227 PolarHBondContact O-ND2 3.25Å; M1223-N1227 PolarHBondContact O-OD1 3.13Å; M1223-N1260 WeakPolarHBondContact CE-OD1 3.43Å; M1223-R1305 PolarHBondContact SD-NH2 3.3Å
1224N93.3Very high93.4Very high105 Ų10562.6 Ų62.656%0.56132%0.319SS*.Hα-helixtrans-63.7-48.7175.1-76.5-21.4000112E1222 I1226 N1227 F1228E1222-N1224 PolarHBondContact O-N 3.37Å; E1222-N1224 VanDerWaalsContact O-N 3.1Å; N1224-I1226 VanDerWaalsContact C-N 3.31Å; N1224-I1226 PolarHBondContact O-N 3.1Å; N1224-N1227 PolarHBondContact O-N 3.44Å; N1224-F1228 WeakPolarHBondContact O-CD2 3.42Å; N1224-F1228 PolarHBondContact O-N 3.43Å
1225Q96.1Very high94.4Very high4 Ų461 Ų612%0.01931%0.311CS..Hα-helixtrans-64.6-37.3177.3-65.4-6826.900111.5D1155 P1156 N1157 D1163 V1165 M1221 E1222 F1228 L1229D1155-Q1225 PolarHBondContact OD1-NE2 3.13Å; D1155-Q1225 VanDerWaalsContact OD1-NE2 3.17Å; P1156-Q1225 VanDerWaalsContact CD-OE1 3.23Å; P1156-Q1225 HydrophobicContact CG-CB 4.45Å; N1157-Q1225 VanDerWaalsContact CG-CD 3.5Å; N1157-Q1225 VanDerWaalsContact OD1-CD 3.22Å; N1157-Q1225 PolarHBondContact OD1-NE2 3.41Å; N1157-Q1225 PolarHBondContact OD1-OE1 3.05Å; D1163-Q1225 PolarHBondContact O-NE2 3.37Å; V1165-Q1225 HydrophobicContact CG1-CG 4.23Å; V1165-Q1225 HydrophobicContact CG2-CB 4.47Å; V1165-Q1225 HydrophobicContact CG2-CG 4.43Å; M1221-Q1225 HydrophobicContact CG-CB 3.66Å; M1221-Q1225 HydrophobicContact SD-CB 3.95Å; E1222-Q1225 PolarHBondContact O-N 3.07Å; Q1225-F1228 PolarHBondContact O-N 3.1Å; Q1225-L1229 WeakPolarHBondContact O-CB 3.26Å; Q1225-L1229 PolarHBondContact O-N 3.33Å
1226I96.1Very high95Very high1 Ų153 Ų531%0.00528%0.276CS..Hα-helixtrans-60.8-47.4172.6-61.9178.4000111F1178 M1221 E1222 M1223 N1224 F1228 L1229 Q1230 P1303F1178-I1226 HydrophobicContact CE1-CG1 4.47Å; F1178-I1226 HydrophobicContact CE2-CD1 3.9Å; F1178-I1226 HydrophobicContact CE2-CG1 4.15Å; F1178-I1226 HydrophobicContact CZ-CD1 3.8Å; F1178-I1226 HydrophobicContact CZ-CG1 3.67Å; M1221-I1226 HydrophobicContact CB-CD1 4.39Å; M1221-I1226 HydrophobicContact CB-CG1 4.07Å; M1221-I1226 HydrophobicContact CG-CG1 3.8Å; M1221-I1226 WeakPolarHBondContact O-CD1 3.31Å; M1221-I1226 HydrophobicContact SD-CG1 3.73Å; E1222-I1226 WeakPolarHBondContact O-CG1 3.44Å; E1222-I1226 PolarHBondContact O-N 3.42Å; M1223-I1226 PolarHBondContact O-N 3.32Å; N1224-I1226 VanDerWaalsContact C-N 3.31Å; N1224-I1226 PolarHBondContact O-N 3.1Å; I1226-F1228 VanDerWaalsContact C-N 3.35Å; I1226-F1228 PolarHBondContact O-N 3.11Å; I1226-L1229 PolarHBondContact O-N 3.03Å; I1226-Q1230 HydrophobicContact CG2-CG 4.36Å; I1226-Q1230 WeakPolarHBondContact O-CB 3.46Å; I1226-Q1230 VanDerWaalsContact O-CG 3.32Å; I1226-Q1230 WeakPolarHBondContact O-CG 3.44Å; I1226-Q1230 PolarHBondContact O-N 2.86Å; I1226-P1303 HydrophobicContact CD1-CG 4.31Å
1227N95.9Very high95.3Very high60 Ų6050.5 Ų50.532%0.32127%0.265SS..Hα-helixtrans-62.3-39.8-179.7-69.9-17.9000112.1M1223 N1224 Q1230 L1231M1223-N1227 WeakPolarHBondContact O-CB 3.34Å; M1223-N1227 PolarHBondContact O-N 3.17Å; M1223-N1227 PolarHBondContact O-ND2 3.25Å; M1223-N1227 PolarHBondContact O-OD1 3.13Å; N1224-N1227 PolarHBondContact O-N 3.44Å; N1227-Q1230 PolarHBondContact O-N 3.5Å; N1227-L1231 WeakPolarHBondContact O-CG 3.45Å; N1227-L1231 PolarHBondContact O-N 3.44Å
1228F97.2Very high95.4Very high81 Ų8150.4 Ų50.436%0.35527%0.265SS..Hα-helixtrans-69.5-38.2173.8-86-82.7000112.5P1156 N1157 N1224 Q1225 I1226 Q1230 L1231 L1232P1156-F1228 HydrophobicContact CB-CB 3.69Å; N1157-F1228 HydrophobicContact CB-CB 4.49Å; N1157-F1228 HydrophobicContact CB-CD2 3.53Å; N1157-F1228 HydrophobicContact CB-CE2 3.77Å; N1157-F1228 HydrophobicContact CB-CG 3.95Å; N1157-F1228 HydrophobicContact CB-CZ 4.36Å; N1224-F1228 WeakPolarHBondContact O-CD2 3.42Å; N1224-F1228 PolarHBondContact O-N 3.43Å; Q1225-F1228 PolarHBondContact O-N 3.1Å; I1226-F1228 VanDerWaalsContact C-N 3.35Å; I1226-F1228 PolarHBondContact O-N 3.11Å; F1228-Q1230 VanDerWaalsContact C-N 3.34Å; F1228-Q1230 PolarHBondContact O-N 3.16Å; F1228-L1231 WeakPolarHBondContact O-CB 3.33Å; F1228-L1231 PolarHBondContact O-N 3.07Å; F1228-L1231 VanDerWaalsContact O-N 3.15Å; F1228-L1232 VanDerWaalsContact O-CG 3.31Å; F1228-L1232 WeakPolarHBondContact O-CG 3.32Å; F1228-L1232 PolarHBondContact O-N 3.42Å
1229L97Very high95.6Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-64.8-38.3174.5-172.661.3000111.7P1156 T1176 F1178 M1221 Q1225 I1226 L1231 L1232 S1233 F1328P1156-L1229 HydrophobicContact CB-CB 4.3Å; P1156-L1229 HydrophobicContact CG-CB 4.26Å; T1176-L1229 HydrophobicContact CG2-CD1 3.91Å; T1176-L1229 HydrophobicContact CG2-CD2 3.61Å; T1176-L1229 HydrophobicContact CG2-CG 4.42Å; F1178-L1229 HydrophobicContact CD1-CD2 4.26Å; F1178-L1229 HydrophobicContact CE1-CD2 3.93Å; M1221-L1229 HydrophobicContact CE-CD2 4.22Å; M1221-L1229 HydrophobicContact SD-CD2 4.25Å; Q1225-L1229 WeakPolarHBondContact O-CB 3.26Å; Q1225-L1229 PolarHBondContact O-N 3.33Å; I1226-L1229 PolarHBondContact O-N 3.03Å; L1229-L1231 VanDerWaalsContact C-N 3.25Å; L1229-L1231 PolarHBondContact O-N 3.46Å; L1229-L1232 PolarHBondContact O-N 3.27Å; L1229-L1232 VanDerWaalsContact O-N 3.12Å; L1229-S1233 WeakPolarHBondContact O-CB 3.3Å; L1229-S1233 PolarHBondContact O-N 3.16Å; L1229-S1233 PolarHBondContact O-OG 3.33Å; L1229-F1328 HydrophobicContact CD1-CB 4.35Å; L1229-F1328 HydrophobicContact CD2-CB 3.97Å; L1229-F1328 HydrophobicContact CD2-CD2 3.72Å; L1229-F1328 HydrophobicContact CD2-CE2 4.42Å; L1229-F1328 HydrophobicContact CD2-CG 3.91Å; L1229-F1328 HydrophobicContact CG-CB 3.88Å; L1229-F1328 HydrophobicContact CG-CD1 4.46Å; L1229-F1328 HydrophobicContact CG-CD2 4.27Å; L1229-F1328 HydrophobicContact CG-CG 3.97Å
1230Q96.9Very high95.7Very high16 Ų1651 Ų518%0.07526%0.264CS..Hα-helixtrans-61-29.6171.8-74.6174.64.700113.7I1226 N1227 F1228 N1260 P1299 L1302 F1328I1226-Q1230 HydrophobicContact CG2-CG 4.36Å; I1226-Q1230 WeakPolarHBondContact O-CB 3.46Å; I1226-Q1230 VanDerWaalsContact O-CG 3.32Å; I1226-Q1230 WeakPolarHBondContact O-CG 3.44Å; I1226-Q1230 PolarHBondContact O-N 2.86Å; N1227-Q1230 PolarHBondContact O-N 3.5Å; F1228-Q1230 VanDerWaalsContact C-N 3.34Å; F1228-Q1230 PolarHBondContact O-N 3.16Å; Q1230-N1260 PolarHBondContact NE2-ND2 3.09Å; Q1230-N1260 VanDerWaalsContact NE2-ND2 3.17Å; Q1230-P1299 HydrophobicContact CB-CB 4.06Å; Q1230-P1299 HydrophobicContact CG-CB 4.11Å; Q1230-L1302 PolarHBondContact NE2-O 2.89Å; Q1230-F1328 HydrophobicContact CG-CE1 3.71Å; Q1230-F1328 HydrophobicContact CG-CZ 4.27Å
1231L96.1Very high95.8Very high134 Ų13448.1 Ų48.170%0.70225%0.249SC*.Hα-helixtrans-80.9-25.8175-73.3165.5000112.8N1227 F1228 L1229N1227-L1231 WeakPolarHBondContact O-CG 3.45Å; N1227-L1231 PolarHBondContact O-N 3.44Å; F1228-L1231 WeakPolarHBondContact O-CB 3.33Å; F1228-L1231 PolarHBondContact O-N 3.07Å; F1228-L1231 VanDerWaalsContact O-N 3.15Å; L1229-L1231 VanDerWaalsContact C-N 3.25Å; L1229-L1231 PolarHBondContact O-N 3.46Å
1232L96.1Very high95.8Very high60 Ų6047.7 Ų47.731%0.31425%0.247SC..Hα-helixtrans-88-7.7179.8-69.4169.1000113.8R1135 P1156 F1228 L1229R1135-L1232 HydrophobicContact CG-CD1 3.84Å; P1156-L1232 HydrophobicContact CB-CD1 4.18Å; F1228-L1232 VanDerWaalsContact O-CG 3.31Å; F1228-L1232 WeakPolarHBondContact O-CG 3.32Å; F1228-L1232 PolarHBondContact O-N 3.42Å; L1229-L1232 PolarHBondContact O-N 3.27Å; L1229-L1232 VanDerWaalsContact O-N 3.12Å
1233S97.6Very high95.7Very high18 Ų1842.2 Ų42.213%0.12622%0.222CC..  trans-116.6156.6-173.2-66.40000113.5L1229 P1299L1229-S1233 WeakPolarHBondContact O-CB 3.3Å; L1229-S1233 PolarHBondContact O-N 3.16Å; L1229-S1233 PolarHBondContact O-OG 3.33Å; S1233-P1299 WeakPolarHBondContact O-CG 3.42Å
1234S96.4Very high95.6Very high94 Ų9438.2 Ų38.266%0.65720%0.203SC*.SBendtrans-97.3-35.9179.766.60000113.2P1299 Q1329S1234-P1299 WeakPolarHBondContact O-CD 3.49Å; S1234-Q1329 WeakPolarHBondContact CA-O 3.19Å; S1234-Q1329 WeakPolarHBondContact CB-O 3.22Å; S1234-Q1329 PolarHBondContact N-O 3.42Å; S1234-Q1329 PolarHBondContact OG-O 2.86Å
1235K96.3Very high95.4Very high65 Ų6535 Ų3528%0.28318%0.184SC..  trans-142.7167176.666.5177.7178.680.40111.3E1175 T1297 Q1329E1175-K1235 IonicContact OE1-NZ 3.05Å; K1235-T1297 WeakPolarHBondContact CA-O 3.01Å; K1235-Q1329 HydrophobicContact CG-CB 4.14Å; K1235-Q1329 PolarHBondContact N-O 3.26Å; K1235-Q1329 PolarHBondContact O-N 3.22Å
1236A97.1Very high94.9Very high1 Ų137.9 Ų37.91%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-142.5144.8170.400000111T1297 L1302 C1327 F1328A1236-T1297 PolarHBondContact N-O 3.17Å; A1236-T1297 PolarHBondContact O-N 2.87Å; A1236-L1302 HydrophobicContact CB-CB 4.08Å; A1236-L1302 HydrophobicContact CB-CD1 3.78Å; A1236-L1302 HydrophobicContact CB-CG 4.46Å; A1236-L1302 WeakPolarHBondContact O-CD1 3.42Å; A1236-C1327 CarbonylContact C-O 3.59Å; A1236-C1327 WeakPolarHBondContact CA-O 3.49Å; A1236-C1327 WeakPolarHBondContact CB-O 3.44Å; A1236-F1328 HydrophobicContact CB-CD1 3.58Å; A1236-F1328 HydrophobicContact CB-CE1 3.64Å; A1236-F1328 HydrophobicContact CB-CG 4.14Å; A1236-F1328 HydrophobicContact CB-CZ 4.26Å
1237N97.1Very high94.4Very high33 Ų3338.3 Ų38.318%0.17620%0.2CC..EExtended strand (participates in β ladder)trans-118.8140.1175.5-174.1-53.5000109.8E1294 V1295 C1327N1237-E1294 PolarHBondContact ND2-OE1 2.93Å; N1237-V1295 CarbonylContact C-O 3.47Å; N1237-V1295 VanDerWaalsContact CA-O 3.24Å; N1237-V1295 WeakPolarHBondContact CA-O 3.4Å; N1237-C1327 PolarHBondContact N-O 3.39Å; N1237-C1327 PolarHBondContact O-N 3.1Å
1238Q97.4Very high94Very high0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-142.7140.2162.9-170.2173.49.900110.9Y1219 V1295 L1302 G1324 V1326Y1219-Q1238 PolarHBondContact OH-NE2 3.16Å; Q1238-V1295 PolarHBondContact N-O 3.47Å; Q1238-V1295 PolarHBondContact O-N 3.06Å; Q1238-L1302 HydrophobicContact CB-CD1 3.93Å; Q1238-L1302 HydrophobicContact CB-CD2 3.91Å; Q1238-G1324 PolarHBondContact NE2-O 3.24Å; Q1238-V1326 HydrophobicContact CB-CB 4.23Å; Q1238-V1326 HydrophobicContact CB-CG2 4.2Å; Q1238-V1326 HydrophobicContact CG-CB 4.12Å
1239Q96.7Very high93.5Very high87 Ų8733.2 Ų33.241%0.40718%0.179SC..EExtended strand (participates in β ladder)trans-107.3152.8175.4-167.5177.911.700111T1292 I1293 G1324Q1239-T1292 HydrophobicContact CG-CG2 4.08Å; Q1239-I1293 CarbonylContact C-O 3.57Å; Q1239-I1293 WeakPolarHBondContact CA-O 3.23Å; Q1239-G1324 VanDerWaalsContact O-CA 3.23Å; Q1239-G1324 WeakPolarHBondContact O-CA 3.34Å; Q1239-G1324 PolarHBondContact O-N 3.06Å
1240L96.3Very high92.9Very high1 Ų136.3 Ų36.31%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-146.6153.8166.973.495.1000110.9L1242 L1257 T1292 I1293 L1304 I1307 L1321 E1322 L1323L1240-L1242 HydrophobicContact CD1-CD1 4.29Å; L1240-L1242 HydrophobicContact CD1-CG 3.98Å; L1240-L1257 HydrophobicContact CD2-CD1 3.75Å; L1240-L1257 HydrophobicContact CD2-CD2 3.72Å; L1240-L1257 HydrophobicContact CD2-CG 4.38Å; L1240-T1292 WeakPolarHBondContact O-CA 3.33Å; L1240-I1293 HydrophobicContact CD1-CB 4.43Å; L1240-I1293 HydrophobicContact CD1-CD1 4.41Å; L1240-I1293 HydrophobicContact CG-CB 4.19Å; L1240-I1293 PolarHBondContact N-O 3.05Å; L1240-I1293 PolarHBondContact O-N 2.87Å; L1240-L1304 HydrophobicContact CD2-CD1 3.53Å; L1240-I1307 HydrophobicContact CD1-CD1 3.9Å; L1240-I1307 HydrophobicContact CD2-CD1 4.15Å; L1240-L1321 HydrophobicContact CB-CD1 4.16Å; L1240-L1321 HydrophobicContact CD1-CD1 3.77Å; L1240-E1322 CarbonylContact C-O 3.54Å; L1240-E1322 WeakPolarHBondContact CA-O 3.41Å; L1240-L1323 HydrophobicContact CB-CD1 4.11Å
1241T95.7Very high92.2Very high14 Ų1440.1 Ų40.19%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-127.9118.4177.6-50.20000110.7K1290 I1291 E1322T1241-K1290 HydrophobicContact CG2-CB 3.68Å; T1241-K1290 HydrophobicContact CG2-CD 4.21Å; T1241-I1291 CarbonylContact C-O 3.54Å; T1241-I1291 VanDerWaalsContact CA-O 3.28Å; T1241-I1291 WeakPolarHBondContact CA-O 3.4Å; T1241-E1322 PolarHBondContact N-O 3.26Å; T1241-E1322 PolarHBondContact O-N 3.06Å
1242L92.5Very high91.6Very high2 Ų243.4 Ų43.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-91129.5172.8-76.8163.5000110.4L1240 P1255 K1290 I1291 I1307 I1318 L1321L1240-L1242 HydrophobicContact CD1-CD1 4.29Å; L1240-L1242 HydrophobicContact CD1-CG 3.98Å; L1242-P1255 HydrophobicContact CD1-CB 4.31Å; L1242-P1255 HydrophobicContact CD1-CG 3.54Å; L1242-K1290 CarbonylContact O-C 3.58Å; L1242-K1290 VanDerWaalsContact O-CA 3.31Å; L1242-K1290 WeakPolarHBondContact O-CA 3.31Å; L1242-I1291 HydrophobicContact CB-CB 4.43Å; L1242-I1291 PolarHBondContact N-O 3.23Å; L1242-I1291 PolarHBondContact O-N 3.32Å; L1242-I1307 HydrophobicContact CD1-CD1 4.41Å; L1242-I1307 HydrophobicContact CD2-CD1 4.14Å; L1242-I1307 HydrophobicContact CG-CD1 4.41Å; L1242-I1318 HydrophobicContact CD2-CG2 4.16Å; L1242-L1321 HydrophobicContact CD2-CB 4.15Å; L1242-L1321 HydrophobicContact CD2-CD1 3.88Å; L1242-L1321 HydrophobicContact CG-CD1 4.18Å
1243L91.1Very high91.2Very high21 Ų2142.1 Ų42.111%0.1122%0.218CC..EExtended strand (participates in β ladder)trans-93.8123.7177.3-64-176.9000111.2F1184 K1290 L1319 G1320F1184-L1243 HydrophobicContact CE2-CD1 3.67Å; F1184-L1243 HydrophobicContact CZ-CD1 3.74Å; L1243-K1290 HydrophobicContact CD2-CB 4.2Å; L1243-L1319 HydrophobicContact CB-CB 4.43Å; L1243-L1319 PolarHBondContact O-N 3.37Å; L1243-G1320 PolarHBondContact N-O 3.26Å
1244C89.5Confident90.9Very high6 Ų641.9 Ų41.94%0.04122%0.216CC..EExtended strand (participates in β ladder)trans-122.3154.9-170.489.60000111.9I1247 C1281 F1288 G1289C1244-I1247 HydrophobicContact CB-CG2 3.57Å; C1244-C1281 HydrophobicContact CB-CB 3.98Å; C1244-C1281 WeakPolarHBondContact CB-SG 3.14Å; C1244-C1281 WeakPolarHBondContact SG-CB 3.3Å; C1244-C1281 CovalentContact SG-SG 2.03Å; C1244-C1281 PolarHBondContact SG-SG 3.13Å; C1244-F1288 WeakPolarHBondContact O-CA 3.49Å; C1244-G1289 PolarHBondContact N-O 3.44Å; C1244-G1289 PolarHBondContact O-N 3.05Å; C1244-G1289 VanDerWaalsContact SG-C 3.55Å
1245H87.5Confident90.7Very high36 Ų3637.4 Ų37.417%0.16718%0.184CC..EExtended strand (participates in β ladder)trans-157.3127.4174.3173.663.3000110.3I1247 P1286 F1288 R1317 L1319H1245-I1247 PolarHBondContact O-N 3.37Å; H1245-P1286 PolarHBondContact CE1-O 3.25Å; H1245-P1286 PolarHBondContact ND1-O 3.21Å; H1245-F1288 HydrophobicContact CB-CD1 4.21Å; H1245-R1317 PolarHBondContact N-O 3.28Å; H1245-R1317 WeakPolarHBondContact O-CB 3.39Å; H1245-L1319 HydrophobicContact CB-CD1 3.46Å; H1245-L1319 VanDerWaalsContact CB-CD1 3.46Å; H1245-L1319 HydrophobicContact CB-CG 4.2Å
1246E86.4Confident90.6Very high66 Ų6637 Ų3731%0.30818%0.181SC..SBendtrans49.836.1-174.9-58.5-169.2169.800115.4K1285 R1317E1246-K1285 WeakPolarHBondContact CA-O 3.35Å; E1246-K1285 PolarHBondContact N-O 3.28Å; E1246-R1317 WeakPolarHBondContact O-CD 3.45Å; E1246-R1317 PolarHBondContact O-NH1 3.05Å; E1246-R1317 IonicContact OE2-CZ 2.68Å; E1246-R1317 IonicContact OE2-NH1 2.91Å; E1246-R1317 PolarHBondContact OE2-NH1 3.37Å; E1246-R1317 IonicContact OE2-NH2 2.74Å; E1246-R1317 PolarHBondContact OE2-NH2 3.26Å
1247I85.3Confident90.5Very high9 Ų937 Ų375%0.04618%0.181CC..  trans-131154.8179.3-159.2174.9000110.2C1244 H1245 F1249 I1313 D1314 R1317 I1318C1244-I1247 HydrophobicContact CB-CG2 3.57Å; H1245-I1247 PolarHBondContact O-N 3.37Å; I1247-F1249 HydrophobicContact CD1-CE2 3.9Å; I1247-F1249 HydrophobicContact CD1-CZ 4.21Å; I1247-F1249 HydrophobicContact CG1-CE2 4.3Å; I1247-F1249 HydrophobicContact CG2-CD2 3.98Å; I1247-F1249 HydrophobicContact CG2-CE2 3.79Å; I1247-I1313 HydrophobicContact CD1-CG2 3.68Å; I1247-D1314 WeakPolarHBondContact CD1-O 3.41Å; I1247-R1317 HydrophobicContact CB-CB 3.95Å; I1247-R1317 HydrophobicContact CD1-CB 3.98Å; I1247-R1317 HydrophobicContact CG1-CB 4.31Å; I1247-I1318 HydrophobicContact CD1-CG1 4.11Å
1248S87.1Confident90.4Very high32 Ų3236.5 Ų36.522%0.22418%0.177CC..  trans-119.8121.4-178.2-169.50000111.3N1250 N1253 C1281 Q1282S1248-N1250 PolarHBondContact OG-OD1 3.06Å; S1248-N1253 PolarHBondContact O-ND2 3.22Å; S1248-C1281 CarbonylContact C-O 3.58Å; S1248-C1281 WeakPolarHBondContact CA-O 3.36Å; S1248-Q1282 PolarHBondContact OG-O 3.26Å
1249F87.8Confident90.3Very high2 Ų236.5 Ų36.51%0.00918%0.177CC..  trans-120.496.1175.9-77.8-79.1000109.4I1247 N1253 L1254 P1255 N1279 C1281 I1291 I1313 I1318I1247-F1249 HydrophobicContact CD1-CE2 3.9Å; I1247-F1249 HydrophobicContact CD1-CZ 4.21Å; I1247-F1249 HydrophobicContact CG1-CE2 4.3Å; I1247-F1249 HydrophobicContact CG2-CD2 3.98Å; I1247-F1249 HydrophobicContact CG2-CE2 3.79Å; F1249-N1253 WeakPolarHBondContact CD1-O 3.36Å; F1249-L1254 HydrophobicContact CB-CD2 4.01Å; F1249-P1255 HydrophobicContact CD1-CG 4.43Å; F1249-P1255 HydrophobicContact CE1-CG 4.06Å; F1249-N1279 PolarHBondContact O-ND2 3.24Å; F1249-C1281 HydrophobicContact CB-CB 4.32Å; F1249-C1281 HydrophobicContact CD2-CB 4.13Å; F1249-C1281 PolarHBondContact N-O 2.89Å; F1249-I1291 HydrophobicContact CB-CD1 3.37Å; F1249-I1291 HydrophobicContact CD1-CD1 4.15Å; F1249-I1291 HydrophobicContact CD2-CD1 3.41Å; F1249-I1291 VanDerWaalsContact CD2-CD1 3.41Å; F1249-I1291 HydrophobicContact CE2-CD1 4.12Å; F1249-I1291 HydrophobicContact CG-CD1 3.4Å; F1249-I1313 HydrophobicContact CD1-CD1 3.82Å; F1249-I1313 HydrophobicContact CE1-CD1 3.56Å; F1249-I1313 HydrophobicContact CE1-CG1 4.07Å; F1249-I1313 HydrophobicContact CE1-CG2 4.28Å; F1249-I1313 HydrophobicContact CZ-CD1 4.04Å; F1249-I1313 HydrophobicContact CZ-CG2 3.98Å; F1249-I1318 HydrophobicContact CE2-CG1 4.42Å; F1249-I1318 HydrophobicContact CZ-CD1 4.01Å; F1249-I1318 HydrophobicContact CZ-CG1 4.22Å
1250N84.5Confident90.2Very high65 Ų6533.2 Ų33.235%0.34816%0.163SC..  trans-115.2168.2-17837.6-73.2000109.3S1248 K1252 N1253 L1254S1248-N1250 PolarHBondContact OG-OD1 3.06Å; N1250-K1252 PolarHBondContact O-N 3.47Å; N1250-N1253 PolarHBondContact N-OD1 3.44Å; N1250-N1253 PolarHBondContact O-N 3Å; N1250-N1253 PolarHBondContact O-OD1 2.9Å; N1250-N1253 PolarHBondContact OD1-OD1 3.28Å; N1250-L1254 PolarHBondContact O-N 2.91Å
1251D82.5Confident89.9Confident96 Ų9636 Ų3651%0.51318%0.178SC..THydrogen-bonded Turntrans-58.6-6.4-161.5-39.6-34.8000116.8N1268D1251-N1268 PolarHBondContact O-ND2 3.01Å; D1251-N1268 VanDerWaalsContact O-ND2 3.11Å
1252K83Confident89.8Confident203 Ų20340.8 Ų40.888%0.88320%0.202SC*.THydrogen-bonded Turntrans-105.3-17.8178.4-62.5-177.2180179.20114.5N1250N1250-K1252 PolarHBondContact O-N 3.47Å
1253N87.7Confident89.8Confident33 Ų3345.7 Ų45.718%0.17622%0.223CC..THydrogen-bonded Turntrans-130.219-176.671.1-25.6000113.4S1248 F1249 N1250 P1310 I1313S1248-N1253 PolarHBondContact O-ND2 3.22Å; F1249-N1253 WeakPolarHBondContact CD1-O 3.36Å; N1250-N1253 PolarHBondContact N-OD1 3.44Å; N1250-N1253 PolarHBondContact O-N 3Å; N1250-N1253 PolarHBondContact O-OD1 2.9Å; N1250-N1253 PolarHBondContact OD1-OD1 3.28Å; N1253-P1310 HydrophobicContact CB-CG 4.2Å; N1253-P1310 WeakPolarHBondContact O-CG 3.47Å; N1253-I1313 HydrophobicContact CB-CD1 4.28Å; N1253-I1313 VanDerWaalsContact ND2-CD1 3.31Å; N1253-I1313 WeakPolarHBondContact ND2-CD1 3.47Å
1254L90.9Very high90Very high14 Ų1448.3 Ų48.37%0.07324%0.235CC..  trans-62.5152.5168.7-82.1163.4000112F1249 N1250 L1276 I1291F1249-L1254 HydrophobicContact CB-CD2 4.01Å; N1250-L1254 PolarHBondContact O-N 2.91Å; L1254-L1276 HydrophobicContact CD1-CD2 4.09Å; L1254-L1276 HydrophobicContact CD2-CD1 4.33Å; L1254-I1291 HydrophobicContact CD2-CD1 4.29Å; L1254-I1291 HydrophobicContact CD2-CG2 4.4Å
1255P92.4Very high90.2Very high0 Ų048 Ų480%023%0.233CC..  trans-61.6155.5-178.8-18.229.5000113L1242 F1249 Y1274 I1307L1242-P1255 HydrophobicContact CD1-CB 4.31Å; L1242-P1255 HydrophobicContact CD1-CG 3.54Å; F1249-P1255 HydrophobicContact CD1-CG 4.43Å; F1249-P1255 HydrophobicContact CE1-CG 4.06Å; P1255-Y1274 VanDerWaalsContact O-CE1 3.31Å; P1255-Y1274 WeakPolarHBondContact O-CE1 3.5Å; P1255-Y1274 PolarHBondContact O-OH 3.43Å; P1255-I1307 HydrophobicContact CB-CG2 3.72Å
1256R93.8Very high90.5Very high56 Ų5648.4 Ų48.421%0.21124%0.238CC..EExtended strand (participates in β ladder)trans-105.1142.6165.2-37.9-164.4-61.1-100.39.3108.6D1205 E1264 L1265 T1266 I1308D1205-R1256 IonicContact OD1-CZ 3.95Å; D1205-R1256 IonicContact OD1-NH1 3.78Å; D1205-R1256 PolarHBondContact OD1-NH1 3.06Å; D1205-R1256 IonicContact OD1-NH2 2.78Å; D1205-R1256 IonicContact OD2-CZ 2.78Å; D1205-R1256 VanDerWaalsContact OD2-CZ 3.28Å; D1205-R1256 IonicContact OD2-NH1 3.25Å; D1205-R1256 PolarHBondContact OD2-NH1 2.96Å; D1205-R1256 IonicContact OD2-NH2 3.28Å; D1205-R1256 PolarHBondContact OD2-NH2 2.97Å; R1256-E1264 IonicContact CZ-OE2 2.97Å; R1256-E1264 VanDerWaalsContact CZ-OE2 3.25Å; R1256-E1264 IonicContact NE-OE2 3.03Å; R1256-E1264 PolarHBondContact NE-OE2 2.92Å; R1256-E1264 IonicContact NH2-OE2 2.62Å; R1256-E1264 PolarHBondContact NH2-OE2 3.37Å; R1256-L1265 WeakPolarHBondContact CA-O 3.47Å; R1256-T1266 HydrophobicContact CB-CG2 4Å; R1256-T1266 HydrophobicContact CG-CG2 3.8Å; R1256-I1308 HydrophobicContact CB-CB 4.18Å; R1256-I1308 PolarHBondContact N-O 3.28Å; R1256-I1308 PolarHBondContact O-N 3.37Å
1257L95.8Very high90.8Very high0 Ų048 Ų480%024%0.236CC..EExtended strand (participates in β ladder)trans-108.9135-176.9-48.7-179.3000110.6L1240 E1264 L1265 Y1274 I1293 V1295 L1304 I1307L1240-L1257 HydrophobicContact CD2-CD1 3.75Å; L1240-L1257 HydrophobicContact CD2-CD2 3.72Å; L1240-L1257 HydrophobicContact CD2-CG 4.38Å; L1257-E1264 CarbonylContact O-C 3.59Å; L1257-E1264 WeakPolarHBondContact O-CA 3.37Å; L1257-L1265 HydrophobicContact CB-CB 4.26Å; L1257-L1265 PolarHBondContact N-O 3.27Å; L1257-L1265 PolarHBondContact O-N 2.86Å; L1257-Y1274 HydrophobicContact CD1-CD1 3.76Å; L1257-Y1274 HydrophobicContact CD1-CE1 4.35Å; L1257-Y1274 HydrophobicContact CD1-CG 4.23Å; L1257-Y1274 HydrophobicContact CG-CD1 3.85Å; L1257-Y1274 HydrophobicContact CG-CE1 4.04Å; L1257-I1293 HydrophobicContact CD1-CG2 3.78Å; L1257-I1293 HydrophobicContact CD2-CD1 4.48Å; L1257-V1295 HydrophobicContact CD1-CG2 3.65Å; L1257-L1304 HydrophobicContact CB-CD2 3.99Å; L1257-L1304 HydrophobicContact CD1-CD1 4.01Å; L1257-I1307 HydrophobicContact CD2-CD1 4.32Å; L1257-I1307 HydrophobicContact CD2-CG1 3.93Å; L1257-I1307 HydrophobicContact CD2-CG2 4.19Å
1258F95.4Very high90.9Very high23 Ų2353.5 Ų53.510%0.10127%0.266CS..EExtended strand (participates in β ladder)trans-98.5128-178.2-165.8-112.5000111.7W1207 N1262 E1264 R1305 D1306W1207-F1258 HydrophobicContact CH2-CD1 4.47Å; W1207-F1258 AromaticContact CH2-CD2 3.68Å; W1207-F1258 HydrophobicContact CH2-CD2 3.68Å; W1207-F1258 AromaticContact CH2-CE2 3.84Å; W1207-F1258 HydrophobicContact CH2-CE2 3.84Å; W1207-F1258 HydrophobicContact CH2-CG 4.01Å; W1207-F1258 HydrophobicContact CH2-CZ 4.31Å; W1207-F1258 HydrophobicContact CZ3-CB 3.87Å; W1207-F1258 AromaticContact CZ3-CD1 3.91Å; W1207-F1258 HydrophobicContact CZ3-CD1 3.91Å; W1207-F1258 AromaticContact CZ3-CD2 3.78Å; W1207-F1258 HydrophobicContact CZ3-CD2 3.78Å; W1207-F1258 HydrophobicContact CZ3-CE1 4.37Å; W1207-F1258 HydrophobicContact CZ3-CE2 4.24Å; W1207-F1258 AromaticContact CZ3-CG 3.6Å; W1207-F1258 HydrophobicContact CZ3-CG 3.6Å; W1207-F1258 HydrophobicContact CZ3-CZ 4.5Å; F1258-N1262 HydrophobicContact CE2-CB 4.26Å; F1258-N1262 HydrophobicContact CZ-CB 3.77Å; F1258-E1264 HydrophobicContact CD2-CG 4.16Å; F1258-R1305 HydrophobicContact CD1-CB 4.09Å; F1258-R1305 PolarHBondContact O-N 3.16Å; F1258-D1306 HydrophobicContact CB-CB 3.98Å; F1258-D1306 PolarHBondContact N-O 3.12Å
1259T94.8Very high90.9Very high0 Ų052.8 Ų52.80%026%0.263CS..EExtended strand (participates in β ladder)trans-93.9163-171.262.50000113.8N1261 N1262 K1263 L1265 R1301T1259-N1261 WeakPolarHBondContact CB-OD1 3.44Å; T1259-N1261 PolarHBondContact O-N 2.99Å; T1259-N1261 PolarHBondContact OG1-OD1 2.95Å; T1259-N1262 PolarHBondContact O-N 2.99Å; T1259-N1262 VanDerWaalsContact O-N 3.13Å; T1259-K1263 WeakPolarHBondContact CG2-O 3.46Å; T1259-K1263 PolarHBondContact N-O 3.29Å; T1259-K1263 WeakPolarHBondContact OG1-CA 3.27Å; T1259-K1263 WeakPolarHBondContact OG1-CB 3.07Å; T1259-K1263 PolarHBondContact OG1-N 3.28Å; T1259-K1263 PolarHBondContact OG1-O 3.35Å; T1259-L1265 HydrophobicContact CG2-CD1 3.66Å; T1259-L1265 HydrophobicContact CG2-CD2 4.36Å; T1259-L1265 HydrophobicContact CG2-CG 3.72Å; T1259-R1301 WeakPolarHBondContact CA-O 3.47Å; T1259-R1301 WeakPolarHBondContact CB-O 3.43Å; T1259-R1301 HydrophobicContact CG2-CB 3.95Å; T1259-R1301 WeakPolarHBondContact CG2-O 3.5Å
1260N93.4Very high90.5Very high19 Ų1957.5 Ų57.510%0.10230%0.303CS..THydrogen-bonded Turntrans-56.4-18.3174.3-163.871.7000114.9M1223 Q1230 R1301 P1303 R1305M1223-N1260 WeakPolarHBondContact CE-OD1 3.43Å; Q1230-N1260 PolarHBondContact NE2-ND2 3.09Å; Q1230-N1260 VanDerWaalsContact NE2-ND2 3.17Å; N1260-R1301 PolarHBondContact N-O 3.04Å; N1260-R1301 VanDerWaalsContact N-O 3.11Å; N1260-P1303 WeakPolarHBondContact CB-O 3.35Å; N1260-P1303 PolarHBondContact N-O 2.82Å; N1260-P1303 VanDerWaalsContact N-O 3.14Å; N1260-R1305 PolarHBondContact OD1-NE 3.29Å; N1260-R1305 PolarHBondContact OD1-NH2 3.04Å
1261N91.7Very high90.4Very high60 Ų6060.8 Ų60.832%0.32132%0.319SS..THydrogen-bonded Turntrans-116.432-179.864.2-5.1000113.5T1259 K1263 Q1300T1259-N1261 WeakPolarHBondContact CB-OD1 3.44Å; T1259-N1261 PolarHBondContact O-N 2.99Å; T1259-N1261 PolarHBondContact OG1-OD1 2.95Å; N1261-K1263 PolarHBondContact O-N 3.11Å; N1261-Q1300 VanDerWaalsContact CB-O 3.27Å; N1261-Q1300 WeakPolarHBondContact CB-O 3.41Å; N1261-Q1300 PolarHBondContact ND2-O 3.01Å
1262N92.3Very high90.7Very high113 Ų11358.6 Ų58.660%0.60431%0.307SS*.SBendtrans52.650.6174.2-58.9-0.6000112.9F1258 T1259F1258-N1262 HydrophobicContact CE2-CB 4.26Å; F1258-N1262 HydrophobicContact CZ-CB 3.77Å; T1259-N1262 PolarHBondContact O-N 2.99Å; T1259-N1262 VanDerWaalsContact O-N 3.13Å
1263K93.7Very high91.2Very high105 Ų10556 Ų5646%0.45729%0.292SS..  trans-121.6152.3169.3-55-61.4158.7-151.90109.8T1259 N1261 L1272T1259-K1263 WeakPolarHBondContact CG2-O 3.46Å; T1259-K1263 PolarHBondContact N-O 3.29Å; T1259-K1263 WeakPolarHBondContact OG1-CA 3.27Å; T1259-K1263 WeakPolarHBondContact OG1-CB 3.07Å; T1259-K1263 PolarHBondContact OG1-N 3.28Å; T1259-K1263 PolarHBondContact OG1-O 3.35Å; N1261-K1263 PolarHBondContact O-N 3.11Å; K1263-L1272 HydrophobicContact CB-CD1 4.21Å; K1263-L1272 HydrophobicContact CB-CD2 4.24Å
1264E93.9Very high91.6Very high76 Ų7654.7 Ų54.736%0.35528%0.284SS..EExtended strand (participates in β ladder)trans-101.5132.3174.9-66.5176.8-128.600109.2R1256 L1257 F1258 I1308R1256-E1264 IonicContact CZ-OE2 2.97Å; R1256-E1264 VanDerWaalsContact CZ-OE2 3.25Å; R1256-E1264 IonicContact NE-OE2 3.03Å; R1256-E1264 PolarHBondContact NE-OE2 2.92Å; R1256-E1264 IonicContact NH2-OE2 2.62Å; R1256-E1264 PolarHBondContact NH2-OE2 3.37Å; L1257-E1264 CarbonylContact O-C 3.59Å; L1257-E1264 WeakPolarHBondContact O-CA 3.37Å; F1258-E1264 HydrophobicContact CD2-CG 4.16Å; E1264-I1308 HydrophobicContact CG-CD1 3.77Å; E1264-I1308 WeakPolarHBondContact OE2-CD1 3.09Å
1265L94.8Very high91.8Very high0 Ų057.1 Ų57.10%030%0.298CS..EExtended strand (participates in β ladder)trans-101.6134.5171.6-59.9166.8000109.1R1256 L1257 T1259 L1272 Y1274 V1295 L1304R1256-L1265 WeakPolarHBondContact CA-O 3.47Å; L1257-L1265 HydrophobicContact CB-CB 4.26Å; L1257-L1265 PolarHBondContact N-O 3.27Å; L1257-L1265 PolarHBondContact O-N 2.86Å; T1259-L1265 HydrophobicContact CG2-CD1 3.66Å; T1259-L1265 HydrophobicContact CG2-CD2 4.36Å; T1259-L1265 HydrophobicContact CG2-CG 3.72Å; L1265-L1272 WeakPolarHBondContact CA-O 3.37Å; L1265-L1272 HydrophobicContact CD2-CB 3.98Å; L1265-L1272 HydrophobicContact CD2-CD2 3.91Å; L1265-Y1274 HydrophobicContact CB-CD1 4.06Å; L1265-Y1274 WeakPolarHBondContact O-CE1 3.47Å; L1265-V1295 HydrophobicContact CD1-CB 4.38Å; L1265-V1295 HydrophobicContact CD1-CG1 3.44Å; L1265-V1295 VanDerWaalsContact CD1-CG1 3.44Å; L1265-V1295 HydrophobicContact CD1-CG2 3.96Å; L1265-L1304 HydrophobicContact CD1-CD2 4.26Å
1266T94.1Very high91.9Very high45 Ų4559.3 Ų59.328%0.27631%0.309SS..  trans-135.3146.4176.866.90000110R1256 N1268 G1269 L1272 R1273R1256-T1266 HydrophobicContact CB-CG2 4Å; R1256-T1266 HydrophobicContact CG-CG2 3.8Å; T1266-N1268 PolarHBondContact O-N 2.89Å; T1266-N1268 VanDerWaalsContact O-N 3.07Å; T1266-G1269 PolarHBondContact O-N 3.44Å; T1266-G1269 PolarHBondContact OG1-N 3.36Å; T1266-L1272 PolarHBondContact N-O 3.12Å; T1266-R1273 WeakPolarHBondContact O-CA 3.42Å; T1266-R1273 VanDerWaalsContact O-CB 3.28Å; T1266-R1273 WeakPolarHBondContact O-CB 3.25Å
1267Q91.7Very high91.9Very high56 Ų5661 Ų6126%0.26232%0.322SS..THydrogen-bonded Turntrans-52.1-37.7-178.8-162.9-16814.500112.6G1269 Y1274Q1267-G1269 VanDerWaalsContact C-N 3.34Å; Q1267-G1269 PolarHBondContact O-N 3.25Å; Q1267-Y1274 HydrophobicContact CB-CD2 4.27Å; Q1267-Y1274 HydrophobicContact CB-CE2 3.59Å; Q1267-Y1274 HydrophobicContact CG-CE2 4.07Å
1268N88.4Confident91.8Very high126 Ų12664.3 Ų64.367%0.67434%0.337SS*.THydrogen-bonded Turntrans-88.48-176.9-60.2-41.2000113.9D1251 T1266D1251-N1268 PolarHBondContact O-ND2 3.01Å; D1251-N1268 VanDerWaalsContact O-ND2 3.11Å; T1266-N1268 PolarHBondContact O-N 2.89Å; T1266-N1268 VanDerWaalsContact O-N 3.07Å
1269G85.5Confident91.7Very high16 Ų1664.2 Ų64.217%0.16534%0.338CS..  trans-72.7134.3-178.800000113.7T1266 Q1267 I1271 R1273T1266-G1269 PolarHBondContact O-N 3.44Å; T1266-G1269 PolarHBondContact OG1-N 3.36Å; Q1267-G1269 VanDerWaalsContact C-N 3.34Å; Q1267-G1269 PolarHBondContact O-N 3.25Å; G1269-I1271 PolarHBondContact O-N 3.31Å; G1269-R1273 WeakPolarHBondContact O-CB 3.48Å
1270A80.9Confident91.6Very high102 Ų10267 Ų6784%0.84335%0.353SS*.SBendtrans-67-35179.900000113.9
1271I81.1Confident91.5Very high133 Ų13366.2 Ų66.268%0.68235%0.349SS*.SBendtrans-130.3-20.2-177.6-63.7171.1000112G1269 R1301G1269-I1271 PolarHBondContact O-N 3.31Å; I1271-R1301 PolarHBondContact O-NH1 3.18Å
1272L90Very high91.3Very high50 Ų5069 Ų6926%0.26236%0.36SS..SBendtrans-116.869.5-177.9-71.1173.5000108.9K1263 L1265 T1266 R1301K1263-L1272 HydrophobicContact CB-CD1 4.21Å; K1263-L1272 HydrophobicContact CB-CD2 4.24Å; L1265-L1272 WeakPolarHBondContact CA-O 3.37Å; L1265-L1272 HydrophobicContact CD2-CB 3.98Å; L1265-L1272 HydrophobicContact CD2-CD2 3.91Å; T1266-L1272 PolarHBondContact N-O 3.12Å; L1272-R1301 VanDerWaalsContact CD2-CZ 3.48Å
1273R93.1Very high91Very high148 Ų14866.3 Ų66.356%0.55835%0.35SS*.  trans-120.9160.5177.567179.6-165.7-165.83.8113.4T1266 G1269T1266-R1273 WeakPolarHBondContact O-CA 3.42Å; T1266-R1273 VanDerWaalsContact O-CB 3.28Å; T1266-R1273 WeakPolarHBondContact O-CB 3.25Å; G1269-R1273 WeakPolarHBondContact O-CB 3.48Å
1274Y95.5Very high90.6Very high6 Ų666.1 Ų66.12%0.02436%0.357CS..  trans-115.3159.9167.157.6-115.3000109.4P1255 L1257 L1265 Q1267 I1293 E1294P1255-Y1274 VanDerWaalsContact O-CE1 3.31Å; P1255-Y1274 WeakPolarHBondContact O-CE1 3.5Å; P1255-Y1274 PolarHBondContact O-OH 3.43Å; L1257-Y1274 HydrophobicContact CD1-CD1 3.76Å; L1257-Y1274 HydrophobicContact CD1-CE1 4.35Å; L1257-Y1274 HydrophobicContact CD1-CG 4.23Å; L1257-Y1274 HydrophobicContact CG-CD1 3.85Å; L1257-Y1274 HydrophobicContact CG-CE1 4.04Å; L1265-Y1274 HydrophobicContact CB-CD1 4.06Å; L1265-Y1274 WeakPolarHBondContact O-CE1 3.47Å; Q1267-Y1274 HydrophobicContact CB-CD2 4.27Å; Q1267-Y1274 HydrophobicContact CB-CE2 3.59Å; Q1267-Y1274 HydrophobicContact CG-CE2 4.07Å; Y1274-I1293 HydrophobicContact CD1-CG2 4.15Å; Y1274-I1293 HydrophobicContact CD2-CG2 3.35Å; Y1274-I1293 HydrophobicContact CE2-CD1 4.14Å; Y1274-I1293 HydrophobicContact CE2-CG1 4.4Å; Y1274-I1293 HydrophobicContact CE2-CG2 4.01Å; Y1274-I1293 HydrophobicContact CG-CG2 3.44Å; Y1274-I1293 VanDerWaalsContact CG-CG2 3.44Å; Y1274-E1294 CarbonylContact C-O 3.53Å; Y1274-E1294 WeakPolarHBondContact CA-O 3.44Å; Y1274-E1294 WeakPolarHBondContact CB-O 3.49Å
1275N95Very high90.2Very high66 Ų6666.2 Ų66.235%0.35336%0.357SS..EExtended strand (participates in β ladder)trans-90.3138.1171.7-58.8-27.6000109.2I1293 E1294N1275-I1293 WeakPolarHBondContact O-CA 3.37Å; N1275-E1294 HydrophobicContact CB-CB 4.28Å; N1275-E1294 PolarHBondContact N-O 2.96Å; N1275-E1294 PolarHBondContact ND2-OE2 3.27Å; N1275-E1294 PolarHBondContact O-N 3.27Å
1276L94.3Very high89.7Confident46 Ų4670.9 Ų70.924%0.24139%0.387CS..EExtended strand (participates in β ladder)trans-98.4105.5173-168.370.1000107.5L1254 N1279 I1291 I1293L1254-L1276 HydrophobicContact CD1-CD2 4.09Å; L1254-L1276 HydrophobicContact CD2-CD1 4.33Å; L1276-N1279 HydrophobicContact CD1-CB 4.45Å; L1276-N1279 HydrophobicContact CD2-CB 3.97Å; L1276-N1279 HydrophobicContact CG-CB 4.3Å; L1276-I1291 HydrophobicContact CD1-CG2 3.53Å; L1276-I1293 HydrophobicContact CD1-CG1 3.97Å
1277L94.7Very high89.4Confident92 Ų9272.9 Ų72.948%0.48240%0.399SS..EExtended strand (participates in β ladder)trans-80.8-35.1-177.8-63.8-178.8000111.7T1292 E1294L1277-T1292 HydrophobicContact CB-CG2 4.21Å; L1277-T1292 HydrophobicContact CD1-CG2 4.21Å; L1277-T1292 PolarHBondContact N-O 3.05Å; L1277-E1294 HydrophobicContact CD1-CB 3.78Å; L1277-E1294 HydrophobicContact CD2-CB 4.38Å; L1277-E1294 HydrophobicContact CG-CB 3.94Å
1278E93.9Very high89.3Confident68 Ų6872.9 Ų72.932%0.31840%0.398SS..EExtended strand (participates in β ladder)trans-155.4142.5-173.9-163.6174.7-158.900109.7K1290 I1291 T1292E1278-K1290 WeakPolarHBondContact OE1-CE 3.33Å; E1278-K1290 IonicContact OE1-NZ 3.45Å; E1278-K1290 PolarHBondContact OE1-NZ 3.13Å; E1278-K1290 WeakPolarHBondContact OE2-CD 3.24Å; E1278-K1290 WeakPolarHBondContact OE2-CE 3.37Å; E1278-K1290 IonicContact OE2-NZ 3.48Å; E1278-K1290 PolarHBondContact OE2-NZ 3.37Å; E1278-I1291 CarbonylContact O-C 3.57Å; E1278-I1291 WeakPolarHBondContact O-CA 3.39Å; E1278-T1292 PolarHBondContact N-O 3.13Å; E1278-T1292 PolarHBondContact O-N 3.41Å; E1278-T1292 PolarHBondContact OE2-OG1 2.94Å
1279N93.1Very high89.5Confident21 Ų2167.2 Ų67.211%0.11237%0.37CS..EExtended strand (participates in β ladder)trans-15485.3176-177.61.9000110.5F1249 L1276 C1281 Q1282 I1291F1249-N1279 PolarHBondContact O-ND2 3.24Å; L1276-N1279 HydrophobicContact CD1-CB 4.45Å; L1276-N1279 HydrophobicContact CD2-CB 3.97Å; L1276-N1279 HydrophobicContact CG-CB 4.3Å; N1279-C1281 PolarHBondContact O-N 3.41Å; N1279-C1281 VanDerWaalsContact OD1-C 3.29Å; N1279-C1281 WeakPolarHBondContact OD1-CA 3.41Å; N1279-C1281 WeakPolarHBondContact OD1-CB 3.5Å; N1279-C1281 PolarHBondContact OD1-N 3.05Å; N1279-Q1282 HydrophobicContact CB-CG 4.23Å; N1279-Q1282 WeakPolarHBondContact ND2-CG 3.5Å; N1279-Q1282 PolarHBondContact OD1-N 3.25Å; N1279-I1291 HydrophobicContact CB-CG2 4.33Å
1280D92.7Very high89.9Confident60 Ų6070.1 Ų70.132%0.32138%0.378SS..THydrogen-bonded Turntrans-65.4-19.3171.1-71.3-49.6000112.5Q1282 K1285 K1290D1280-Q1282 VanDerWaalsContact C-N 3.35Å; D1280-Q1282 PolarHBondContact O-N 3.26Å; D1280-K1285 WeakPolarHBondContact O-CE 3.32Å; D1280-K1285 PolarHBondContact O-NZ 3.15Å; D1280-K1290 PolarHBondContact N-O 3.12Å; D1280-K1290 WeakPolarHBondContact OD2-CG 3.31Å; D1280-K1290 PolarHBondContact OD2-N 3.33Å
1281C90.8Very high90.5Very high2 Ų265.3 Ų65.31%0.01434%0.338CS..THydrogen-bonded Turntrans-90.210.5-168.4-46.50000113.3C1244 S1248 F1249 N1279 S1283 I1291C1244-C1281 HydrophobicContact CB-CB 3.98Å; C1244-C1281 WeakPolarHBondContact CB-SG 3.14Å; C1244-C1281 WeakPolarHBondContact SG-CB 3.3Å; C1244-C1281 CovalentContact SG-SG 2.03Å; C1244-C1281 PolarHBondContact SG-SG 3.13Å; S1248-C1281 CarbonylContact C-O 3.58Å; S1248-C1281 WeakPolarHBondContact CA-O 3.36Å; F1249-C1281 HydrophobicContact CB-CB 4.32Å; F1249-C1281 HydrophobicContact CD2-CB 4.13Å; F1249-C1281 PolarHBondContact N-O 2.89Å; N1279-C1281 PolarHBondContact O-N 3.41Å; N1279-C1281 VanDerWaalsContact OD1-C 3.29Å; N1279-C1281 WeakPolarHBondContact OD1-CA 3.41Å; N1279-C1281 WeakPolarHBondContact OD1-CB 3.5Å; N1279-C1281 PolarHBondContact OD1-N 3.05Å; C1281-S1283 PolarHBondContact O-N 3.09Å; C1281-I1291 HydrophobicContact CB-CD1 3.87Å; C1281-I1291 HydrophobicContact CB-CG1 3.77Å; C1281-I1291 WeakPolarHBondContact SG-CG1 3.45Å
1282Q88.3Confident91.2Very high119 Ų11959.3 Ų59.356%0.55631%0.308SS*.SBendtrans-57-15.2174.7-73.8-176.6-15.900114.6S1248 N1279 D1280S1248-Q1282 PolarHBondContact OG-O 3.26Å; N1279-Q1282 HydrophobicContact CB-CG 4.23Å; N1279-Q1282 WeakPolarHBondContact ND2-CG 3.5Å; N1279-Q1282 PolarHBondContact OD1-N 3.25Å; D1280-Q1282 VanDerWaalsContact C-N 3.35Å; D1280-Q1282 PolarHBondContact O-N 3.26Å
1283S86Confident91.5Very high56 Ų5657 Ų5739%0.39230%0.295SS..SBendtrans-143.6144.9179.563.40000109.9C1281 K1285C1281-S1283 PolarHBondContact O-N 3.09Å; S1283-K1285 PolarHBondContact O-N 3.33Å; S1283-K1285 WeakPolarHBondContact OG-CE 3.5Å
1284T85Confident91.7Very high100 Ų10052.1 Ų52.161%0.61328%0.279SS*.  trans-60.495.2173.232.80000112.3
1285K85.9Confident91.8Very high79 Ų7951.9 Ų51.934%0.34328%0.278SS..  trans-100.8142.1174.9-67.8165.5-178.8164.80111E1246 D1280 S1283 T1287E1246-K1285 WeakPolarHBondContact CA-O 3.35Å; E1246-K1285 PolarHBondContact N-O 3.28Å; D1280-K1285 WeakPolarHBondContact O-CE 3.32Å; D1280-K1285 PolarHBondContact O-NZ 3.15Å; S1283-K1285 PolarHBondContact O-N 3.33Å; S1283-K1285 WeakPolarHBondContact OG-CE 3.5Å; K1285-T1287 PolarHBondContact O-N 2.86Å
1286P83.7Confident91.8Very high97 Ų9752.6 Ų52.663%0.6328%0.282SS*.SBendtrans-77-7.8170.933.7-36.1000113H1245H1245-P1286 PolarHBondContact CE1-O 3.25Å; H1245-P1286 PolarHBondContact ND1-O 3.21Å
1287T88.5Confident91.8Very high87 Ų8751.1 Ų51.153%0.53428%0.275SS..SBendtrans-77.5159.3165.655.50000110.2K1285K1285-T1287 PolarHBondContact O-N 2.86Å
1288F89.4Confident91.8Very high56 Ų5654.9 Ų54.925%0.24628%0.283CS..EExtended strand (participates in β ladder)trans-66.9146.4162.7-57.5-91.6000109.2I44 R46 C1244 H1245 L1319I44-F1288 HydrophobicContact CG2-CE2 4.28Å; I44-F1288 HydrophobicContact CG2-CZ 3.97Å; R46-F1288 HydrophobicContact CB-CE2 4.19Å; R46-F1288 HydrophobicContact CG-CD2 4.03Å; R46-F1288 HydrophobicContact CG-CE2 4.03Å; C1244-F1288 WeakPolarHBondContact O-CA 3.49Å; H1245-F1288 HydrophobicContact CB-CD1 4.21Å; F1288-L1319 HydrophobicContact CD1-CD1 3.33Å; F1288-L1319 HydrophobicContact CE1-CD1 3.39Å
1289G91.7Very high92Very high8 Ų851.8 Ų51.88%0.08227%0.269CS..EExtended strand (participates in β ladder)trans-137.5174.7170.700000111C1244C1244-G1289 PolarHBondContact N-O 3.44Å; C1244-G1289 PolarHBondContact O-N 3.05Å; C1244-G1289 VanDerWaalsContact SG-C 3.55Å
1290K93.7Very high92.1Very high77 Ų7754.6 Ų54.634%0.33528%0.281SS..EExtended strand (participates in β ladder)trans-131.5155.8174.947.6169.9170.4150.30112.5T1241 L1242 L1243 E1278 D1280T1241-K1290 HydrophobicContact CG2-CB 3.68Å; T1241-K1290 HydrophobicContact CG2-CD 4.21Å; L1242-K1290 CarbonylContact O-C 3.58Å; L1242-K1290 VanDerWaalsContact O-CA 3.31Å; L1242-K1290 WeakPolarHBondContact O-CA 3.31Å; L1243-K1290 HydrophobicContact CD2-CB 4.2Å; E1278-K1290 WeakPolarHBondContact OE1-CE 3.33Å; E1278-K1290 IonicContact OE1-NZ 3.45Å; E1278-K1290 PolarHBondContact OE1-NZ 3.13Å; E1278-K1290 WeakPolarHBondContact OE2-CD 3.24Å; E1278-K1290 WeakPolarHBondContact OE2-CE 3.37Å; E1278-K1290 IonicContact OE2-NZ 3.48Å; E1278-K1290 PolarHBondContact OE2-NZ 3.37Å; D1280-K1290 PolarHBondContact N-O 3.12Å; D1280-K1290 WeakPolarHBondContact OD2-CG 3.31Å; D1280-K1290 PolarHBondContact OD2-N 3.33Å
1291I94.3Very high92.2Very high0 Ų053.4 Ų53.40%027%0.272CS..EExtended strand (participates in β ladder)trans-123.3116.6166.3-49.1-177.5000107.8T1241 L1242 F1249 L1254 L1276 E1278 N1279 C1281 I1293T1241-I1291 CarbonylContact C-O 3.54Å; T1241-I1291 VanDerWaalsContact CA-O 3.28Å; T1241-I1291 WeakPolarHBondContact CA-O 3.4Å; L1242-I1291 HydrophobicContact CB-CB 4.43Å; L1242-I1291 PolarHBondContact N-O 3.23Å; L1242-I1291 PolarHBondContact O-N 3.32Å; F1249-I1291 HydrophobicContact CB-CD1 3.37Å; F1249-I1291 HydrophobicContact CD1-CD1 4.15Å; F1249-I1291 HydrophobicContact CD2-CD1 3.41Å; F1249-I1291 VanDerWaalsContact CD2-CD1 3.41Å; F1249-I1291 HydrophobicContact CE2-CD1 4.12Å; F1249-I1291 HydrophobicContact CG-CD1 3.4Å; L1254-I1291 HydrophobicContact CD2-CD1 4.29Å; L1254-I1291 HydrophobicContact CD2-CG2 4.4Å; L1276-I1291 HydrophobicContact CD1-CG2 3.53Å; E1278-I1291 CarbonylContact O-C 3.57Å; E1278-I1291 WeakPolarHBondContact O-CA 3.39Å; N1279-I1291 HydrophobicContact CB-CG2 4.33Å; C1281-I1291 HydrophobicContact CB-CD1 3.87Å; C1281-I1291 HydrophobicContact CB-CG1 3.77Å; C1281-I1291 WeakPolarHBondContact SG-CG1 3.45Å; I1291-I1293 HydrophobicContact CG2-CD1 4.39Å; I1291-I1293 HydrophobicContact CG2-CG1 4.06Å
1292T95.9Very high92.5Very high7 Ų753.3 Ų53.34%0.04327%0.271CS..EExtended strand (participates in β ladder)trans-105.4116.5-178.7-50.20000108.5Q1239 L1240 L1277 E1278Q1239-T1292 HydrophobicContact CG-CG2 4.08Å; L1240-T1292 WeakPolarHBondContact O-CA 3.33Å; L1277-T1292 HydrophobicContact CB-CG2 4.21Å; L1277-T1292 HydrophobicContact CD1-CG2 4.21Å; L1277-T1292 PolarHBondContact N-O 3.05Å; E1278-T1292 PolarHBondContact N-O 3.13Å; E1278-T1292 PolarHBondContact O-N 3.41Å; E1278-T1292 PolarHBondContact OE2-OG1 2.94Å
1293I96.7Very high92.9Very high1 Ų147.6 Ų47.61%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-114.4136.9-178.3-57.4174.4000109.4Q1239 L1240 L1257 Y1274 N1275 L1276 I1291Q1239-I1293 CarbonylContact C-O 3.57Å; Q1239-I1293 WeakPolarHBondContact CA-O 3.23Å; L1240-I1293 HydrophobicContact CD1-CB 4.43Å; L1240-I1293 HydrophobicContact CD1-CD1 4.41Å; L1240-I1293 HydrophobicContact CG-CB 4.19Å; L1240-I1293 PolarHBondContact N-O 3.05Å; L1240-I1293 PolarHBondContact O-N 2.87Å; L1257-I1293 HydrophobicContact CD1-CG2 3.78Å; L1257-I1293 HydrophobicContact CD2-CD1 4.48Å; Y1274-I1293 HydrophobicContact CD1-CG2 4.15Å; Y1274-I1293 HydrophobicContact CD2-CG2 3.35Å; Y1274-I1293 HydrophobicContact CE2-CD1 4.14Å; Y1274-I1293 HydrophobicContact CE2-CG1 4.4Å; Y1274-I1293 HydrophobicContact CE2-CG2 4.01Å; Y1274-I1293 HydrophobicContact CG-CG2 3.44Å; Y1274-I1293 VanDerWaalsContact CG-CG2 3.44Å; N1275-I1293 WeakPolarHBondContact O-CA 3.37Å; L1276-I1293 HydrophobicContact CD1-CG1 3.97Å; I1291-I1293 HydrophobicContact CG2-CD1 4.39Å; I1291-I1293 HydrophobicContact CG2-CG1 4.06Å
1294E97.1Very high93.4Very high47 Ų4745 Ų4522%0.2223%0.226CC..EExtended strand (participates in β ladder)trans-117.5139.8173.7174.3-164.9-128.200110.6N1237 Y1274 N1275 L1277N1237-E1294 PolarHBondContact ND2-OE1 2.93Å; Y1274-E1294 CarbonylContact C-O 3.53Å; Y1274-E1294 WeakPolarHBondContact CA-O 3.44Å; Y1274-E1294 WeakPolarHBondContact CB-O 3.49Å; N1275-E1294 HydrophobicContact CB-CB 4.28Å; N1275-E1294 PolarHBondContact N-O 2.96Å; N1275-E1294 PolarHBondContact ND2-OE2 3.27Å; N1275-E1294 PolarHBondContact O-N 3.27Å; L1277-E1294 HydrophobicContact CD1-CB 3.78Å; L1277-E1294 HydrophobicContact CD2-CB 4.38Å; L1277-E1294 HydrophobicContact CG-CB 3.94Å
1295V96.7Very high93.9Very high1 Ų141.9 Ų41.91%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-120.392.8175.6-178.10000109.3N1237 Q1238 L1257 L1265 T1297 L1302 L1304N1237-V1295 CarbonylContact C-O 3.47Å; N1237-V1295 VanDerWaalsContact CA-O 3.24Å; N1237-V1295 WeakPolarHBondContact CA-O 3.4Å; Q1238-V1295 PolarHBondContact N-O 3.47Å; Q1238-V1295 PolarHBondContact O-N 3.06Å; L1257-V1295 HydrophobicContact CD1-CG2 3.65Å; L1265-V1295 HydrophobicContact CD1-CB 4.38Å; L1265-V1295 HydrophobicContact CD1-CG1 3.44Å; L1265-V1295 VanDerWaalsContact CD1-CG1 3.44Å; L1265-V1295 HydrophobicContact CD1-CG2 3.96Å; V1295-T1297 HydrophobicContact CG1-CG2 3.74Å; V1295-L1302 HydrophobicContact CB-CD2 4.41Å; V1295-L1302 HydrophobicContact CG1-CD1 4.28Å; V1295-L1302 HydrophobicContact CG1-CD2 4.04Å; V1295-L1302 HydrophobicContact CG1-CG 4.38Å; V1295-L1304 HydrophobicContact CG2-CD1 4.26Å; V1295-L1304 HydrophobicContact CG2-CD2 4.42Å
1296D94.8Very high94.3Very high80 Ų8038.1 Ų38.143%0.42819%0.187SC..EExtended strand (participates in β ladder)trans-91.1121.7164-172.69.4000109.7
1297T95.1Very high94.8Very high16 Ų1633.5 Ų33.510%0.09816%0.157CC..EExtended strand (participates in β ladder)trans-164.1179.3-164.5-145.20000114.4K1235 A1236 V1295 R1301 L1302K1235-T1297 WeakPolarHBondContact CA-O 3.01Å; A1236-T1297 PolarHBondContact N-O 3.17Å; A1236-T1297 PolarHBondContact O-N 2.87Å; V1295-T1297 HydrophobicContact CG1-CG2 3.74Å; T1297-R1301 HydrophobicContact CG2-CB 3.74Å; T1297-R1301 HydrophobicContact CG2-CG 4.48Å; T1297-R1301 VanDerWaalsContact OG1-CD 3.3Å; T1297-R1301 WeakPolarHBondContact OG1-CD 3.46Å; T1297-R1301 PolarHBondContact OG1-NH1 3.17Å; T1297-L1302 HydrophobicContact CG2-CD1 3.92Å; T1297-L1302 HydrophobicContact CG2-CG 3.84Å
1298R95.2Very high95Very high170 Ų17029.4 Ų29.464%0.64213%0.132SC*.  trans-68138.7175.4-67.2-171.2-177.4178.40.2111.3Q1300 R1301R1298-Q1300 PolarHBondContact O-N 2.97Å; R1298-R1301 WeakPolarHBondContact O-CB 3.39Å; R1298-R1301 PolarHBondContact O-N 3.42Å
1299P96.6Very high94.9Very high3 Ų326.9 Ų26.92%0.01912%0.121CC..G310 helixtrans-51-39.2-171.3-28.234.4000114.9Q1230 S1233 S1234 R1301 L1302 F1328Q1230-P1299 HydrophobicContact CB-CB 4.06Å; Q1230-P1299 HydrophobicContact CG-CB 4.11Å; S1233-P1299 WeakPolarHBondContact O-CG 3.42Å; S1234-P1299 WeakPolarHBondContact O-CD 3.49Å; P1299-R1301 PolarHBondContact O-N 3.41Å; P1299-L1302 PolarHBondContact O-N 3.22Å; P1299-L1302 VanDerWaalsContact O-O 3.07Å; P1299-F1328 HydrophobicContact CB-CD1 4.04Å; P1299-F1328 HydrophobicContact CB-CE1 3.98Å
1300Q95.1Very high94.6Very high81 Ų8127.5 Ų27.538%0.37912%0.124SC..G310 helixtrans-64.9-11.7-174.9-53.976.722.400113.7N1261 R1298N1261-Q1300 VanDerWaalsContact CB-O 3.27Å; N1261-Q1300 WeakPolarHBondContact CB-O 3.41Å; N1261-Q1300 PolarHBondContact ND2-O 3.01Å; R1298-Q1300 PolarHBondContact O-N 2.97Å
1301R95.3Very high93.7Very high34 Ų3428.6 Ų28.613%0.12813%0.133CC..G310 helixtrans-91.2-14175.9-61.9170.4-178.8174.5-5.1113.1T1259 N1260 I1271 L1272 T1297 R1298 P1299T1259-R1301 WeakPolarHBondContact CA-O 3.47Å; T1259-R1301 WeakPolarHBondContact CB-O 3.43Å; T1259-R1301 HydrophobicContact CG2-CB 3.95Å; T1259-R1301 WeakPolarHBondContact CG2-O 3.5Å; N1260-R1301 PolarHBondContact N-O 3.04Å; N1260-R1301 VanDerWaalsContact N-O 3.11Å; I1271-R1301 PolarHBondContact O-NH1 3.18Å; L1272-R1301 VanDerWaalsContact CD2-CZ 3.48Å; T1297-R1301 HydrophobicContact CG2-CB 3.74Å; T1297-R1301 HydrophobicContact CG2-CG 4.48Å; T1297-R1301 VanDerWaalsContact OG1-CD 3.3Å; T1297-R1301 WeakPolarHBondContact OG1-CD 3.46Å; T1297-R1301 PolarHBondContact OG1-NH1 3.17Å; R1298-R1301 WeakPolarHBondContact O-CB 3.39Å; R1298-R1301 PolarHBondContact O-N 3.42Å; P1299-R1301 PolarHBondContact O-N 3.41Å
1302L96.7Very high92.6Very high0 Ų032 Ų320%017%0.168CC..  trans-115.2150.9-179.7-72.5178.8000111Q1230 A1236 Q1238 V1295 T1297 P1299 L1304 V1326 F1328Q1230-L1302 PolarHBondContact NE2-O 2.89Å; A1236-L1302 HydrophobicContact CB-CB 4.08Å; A1236-L1302 HydrophobicContact CB-CD1 3.78Å; A1236-L1302 HydrophobicContact CB-CG 4.46Å; A1236-L1302 WeakPolarHBondContact O-CD1 3.42Å; Q1238-L1302 HydrophobicContact CB-CD1 3.93Å; Q1238-L1302 HydrophobicContact CB-CD2 3.91Å; V1295-L1302 HydrophobicContact CB-CD2 4.41Å; V1295-L1302 HydrophobicContact CG1-CD1 4.28Å; V1295-L1302 HydrophobicContact CG1-CD2 4.04Å; V1295-L1302 HydrophobicContact CG1-CG 4.38Å; T1297-L1302 HydrophobicContact CG2-CD1 3.92Å; T1297-L1302 HydrophobicContact CG2-CG 3.84Å; P1299-L1302 PolarHBondContact O-N 3.22Å; P1299-L1302 VanDerWaalsContact O-O 3.07Å; L1302-L1304 HydrophobicContact CD2-CD2 3.86Å; L1302-L1304 HydrophobicContact CD2-CG 3.74Å; L1302-V1326 HydrophobicContact CB-CG2 3.89Å; L1302-V1326 HydrophobicContact CD1-CG2 4.38Å; L1302-F1328 HydrophobicContact CB-CZ 4.29Å
1303P96.9Very high91.6Very high0 Ų032.4 Ų32.40%017%0.17CC..SBendcis-70.3165.63.327.7-35.3000115.6Y1219 I1226 N1260 V1326Y1219-P1303 HydrophobicContact CD1-CB 4.21Å; Y1219-P1303 HydrophobicContact CD2-CB 3.89Å; Y1219-P1303 HydrophobicContact CD2-CG 3.77Å; Y1219-P1303 HydrophobicContact CE1-CB 3.76Å; Y1219-P1303 HydrophobicContact CE2-CB 3.41Å; Y1219-P1303 VanDerWaalsContact CE2-CB 3.41Å; Y1219-P1303 HydrophobicContact CE2-CG 3.71Å; Y1219-P1303 HydrophobicContact CG-CB 4.3Å; Y1219-P1303 HydrophobicContact CG-CG 4.3Å; I1226-P1303 HydrophobicContact CD1-CG 4.31Å; N1260-P1303 WeakPolarHBondContact CB-O 3.35Å; N1260-P1303 PolarHBondContact N-O 2.82Å; N1260-P1303 VanDerWaalsContact N-O 3.14Å; P1303-V1326 HydrophobicContact CB-CB 4.39Å; P1303-V1326 HydrophobicContact CB-CG1 4.19Å; P1303-V1326 HydrophobicContact CB-CG2 4.35Å
1304L97Very high90.4Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-66.8146.8166.5-65.4177.4000111.1F1217 Y1219 L1240 L1257 L1265 V1295 L1302F1217-L1304 HydrophobicContact CD2-CB 4.47Å; Y1219-L1304 WeakPolarHBondContact CE2-O 3.5Å; Y1219-L1304 PolarHBondContact OH-O 2.67Å; L1240-L1304 HydrophobicContact CD2-CD1 3.53Å; L1257-L1304 HydrophobicContact CB-CD2 3.99Å; L1257-L1304 HydrophobicContact CD1-CD1 4.01Å; L1265-L1304 HydrophobicContact CD1-CD2 4.26Å; V1295-L1304 HydrophobicContact CG2-CD1 4.26Å; V1295-L1304 HydrophobicContact CG2-CD2 4.42Å; L1302-L1304 HydrophobicContact CD2-CD2 3.86Å; L1302-L1304 HydrophobicContact CD2-CG 3.74Å
1305R95.5Very high89Confident36 Ų3632.8 Ų32.814%0.13618%0.175CC..EExtended strand (participates in β ladder)trans-117.8-28.5-176.1-65.9-59.6-177.9178.81.1114.5Q1216 F1217 M1223 F1258 N1260Q1216-R1305 CarbonylContact C-O 3.54Å; Q1216-R1305 WeakPolarHBondContact CA-O 3.46Å; Q1216-R1305 VanDerWaalsContact CB-O 3.3Å; Q1216-R1305 WeakPolarHBondContact CB-O 3.28Å; F1217-R1305 VanDerWaalsContact CD2-C 3.43Å; F1217-R1305 PolarHBondContact N-O 3.27Å; F1217-R1305 PolarHBondContact O-NH1 3.06Å; M1223-R1305 PolarHBondContact SD-NH2 3.3Å; F1258-R1305 HydrophobicContact CD1-CB 4.09Å; F1258-R1305 PolarHBondContact O-N 3.16Å; N1260-R1305 PolarHBondContact OD1-NE 3.29Å; N1260-R1305 PolarHBondContact OD1-NH2 3.04Å
1306D95.2Very high87.5Confident0 Ų034.6 Ų34.60%018%0.183CC..EExtended strand (participates in β ladder)trans-160.2171.5177.4-141.7-39000111.3W1207 F1208 S1209 Q1216 F1258W1207-D1306 HydrophobicContact CE3-CB 3.78Å; W1207-D1306 HydrophobicContact CZ3-CB 4.07Å; F1208-D1306 WeakPolarHBondContact CB-OD1 3.02Å; F1208-D1306 PolarHBondContact N-OD1 2.93Å; F1208-D1306 VanDerWaalsContact N-OD1 3.17Å; S1209-D1306 VanDerWaalsContact CB-OD2 3.23Å; S1209-D1306 WeakPolarHBondContact CB-OD2 3.49Å; S1209-D1306 PolarHBondContact N-OD1 3.05Å; S1209-D1306 VanDerWaalsContact N-OD1 3.15Å; S1209-D1306 PolarHBondContact OG-OD2 3.2Å; Q1216-D1306 HydrophobicContact CG-CB 4.44Å; F1258-D1306 HydrophobicContact CB-CB 3.98Å; F1258-D1306 PolarHBondContact N-O 3.12Å
1307I93.8Very high86.4Confident0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-123.1134.8170.4-58.6-179.4000108.4W1207 F1208 F1217 L1240 L1242 P1255 L1257 L1309 L1321W1207-I1307 CarbonylContact C-O 3.56Å; F1208-I1307 HydrophobicContact CB-CB 3.99Å; F1208-I1307 WeakPolarHBondContact CB-O 3Å; F1208-I1307 PolarHBondContact N-O 2.94Å; F1217-I1307 HydrophobicContact CE2-CD1 4.49Å; F1217-I1307 HydrophobicContact CE2-CG1 3.95Å; F1217-I1307 HydrophobicContact CZ-CD1 4.33Å; F1217-I1307 HydrophobicContact CZ-CG1 3.98Å; L1240-I1307 HydrophobicContact CD1-CD1 3.9Å; L1240-I1307 HydrophobicContact CD2-CD1 4.15Å; L1242-I1307 HydrophobicContact CD1-CD1 4.41Å; L1242-I1307 HydrophobicContact CD2-CD1 4.14Å; L1242-I1307 HydrophobicContact CG-CD1 4.41Å; P1255-I1307 HydrophobicContact CB-CG2 3.72Å; L1257-I1307 HydrophobicContact CD2-CD1 4.32Å; L1257-I1307 HydrophobicContact CD2-CG1 3.93Å; L1257-I1307 HydrophobicContact CD2-CG2 4.19Å; I1307-L1309 HydrophobicContact CG2-CD2 4.18Å; I1307-L1321 HydrophobicContact CD1-CD1 3.65Å; I1307-L1321 HydrophobicContact CD1-CD2 3.74Å; I1307-L1321 HydrophobicContact CD1-CG 4.33Å
1308I91.5Very high85.4Confident0 Ų034.3 Ų34.30%017%0.174CC..EExtended strand (participates in β ladder)trans-105.6121.3176.9-50.2169.7000108.2D1205 W1207 R1256 E1264D1205-I1308 HydrophobicContact CB-CG2 3.68Å; W1207-I1308 HydrophobicContact CD2-CG1 4.04Å; W1207-I1308 HydrophobicContact CE3-CD1 4.41Å; W1207-I1308 HydrophobicContact CE3-CG1 3.84Å; W1207-I1308 HydrophobicContact CH2-CD1 3.58Å; W1207-I1308 HydrophobicContact CH2-CG1 3.94Å; W1207-I1308 HydrophobicContact CZ2-CD1 3.81Å; W1207-I1308 HydrophobicContact CZ2-CG1 4.12Å; W1207-I1308 HydrophobicContact CZ3-CD1 3.91Å; W1207-I1308 HydrophobicContact CZ3-CG1 3.79Å; R1256-I1308 HydrophobicContact CB-CB 4.18Å; R1256-I1308 PolarHBondContact N-O 3.28Å; R1256-I1308 PolarHBondContact O-N 3.37Å; E1264-I1308 HydrophobicContact CG-CD1 3.77Å; E1264-I1308 WeakPolarHBondContact OE2-CD1 3.09Å
1309L88.8Confident84.5Confident4 Ų428.1 Ų28.12%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-98.4120.5179.8-59.4171.4000109.1D1205 I1206 L1211 I1307 I1318D1205-L1309 WeakPolarHBondContact CA-O 3.22Å; I1206-L1309 PolarHBondContact N-O 3.03Å; I1206-L1309 PolarHBondContact O-N 3.25Å; L1211-L1309 HydrophobicContact CD2-CD1 3.66Å; I1307-L1309 HydrophobicContact CG2-CD2 4.18Å; L1309-I1318 HydrophobicContact CD1-CD1 3.47Å; L1309-I1318 VanDerWaalsContact CD1-CD1 3.47Å; L1309-I1318 HydrophobicContact CD2-CD1 3.58Å; L1309-I1318 HydrophobicContact CG-CD1 4.14Å
1310P85.6Confident84Confident21 Ų2128 Ų2814%0.13615%0.153CC..EExtended strand (participates in β ladder)trans-73.4157.3-177.329.3-34.4000112.7D1205 N1253 I1313D1205-P1310 WeakPolarHBondContact OD1-CA 3.33Å; N1253-P1310 HydrophobicContact CB-CG 4.2Å; N1253-P1310 WeakPolarHBondContact O-CG 3.47Å; P1310-I1313 HydrophobicContact CG-CG1 4.13Å; P1310-I1313 WeakPolarHBondContact O-CB 3.35Å; P1310-I1313 VanDerWaalsContact O-CG1 3.28Å; P1310-I1313 WeakPolarHBondContact O-CG1 3.45Å; P1310-I1313 PolarHBondContact O-N 3.2Å
1311N74.6Confident83.9Confident99 Ų9924.1 Ų24.153%0.52913%0.134SC..THydrogen-bonded Turntrans-54.3149-178.6-148.9-20.4000113.7K1204 I1313K1204-N1311 VanDerWaalsContact O-CB 3.31Å; K1204-N1311 WeakPolarHBondContact O-CB 3.47Å; K1204-N1311 PolarHBondContact O-N 3.27Å; K1204-N1311 VanDerWaalsContact O-N 3.14Å; N1311-I1313 VanDerWaalsContact C-N 3.28Å; N1311-I1313 PolarHBondContact O-N 3.32Å
1312G71.4Confident83.9Confident72 Ų7226.4 Ų26.474%0.74215%0.147SC*.THydrogen-bonded Turntrans83.5-7.2179.700000115D1314G1312-D1314 PolarHBondContact O-N 3.32Å
1313I74Confident83.8Confident15 Ų1526.6 Ų26.68%0.07715%0.148CC..  trans-72.7118165.9-66.6-61.8000108.6I1247 F1249 N1253 P1310 N1311 S1315 I1318I1247-I1313 HydrophobicContact CD1-CG2 3.68Å; F1249-I1313 HydrophobicContact CD1-CD1 3.82Å; F1249-I1313 HydrophobicContact CE1-CD1 3.56Å; F1249-I1313 HydrophobicContact CE1-CG1 4.07Å; F1249-I1313 HydrophobicContact CE1-CG2 4.28Å; F1249-I1313 HydrophobicContact CZ-CD1 4.04Å; F1249-I1313 HydrophobicContact CZ-CG2 3.98Å; N1253-I1313 HydrophobicContact CB-CD1 4.28Å; N1253-I1313 VanDerWaalsContact ND2-CD1 3.31Å; N1253-I1313 WeakPolarHBondContact ND2-CD1 3.47Å; P1310-I1313 HydrophobicContact CG-CG1 4.13Å; P1310-I1313 WeakPolarHBondContact O-CB 3.35Å; P1310-I1313 VanDerWaalsContact O-CG1 3.28Å; P1310-I1313 WeakPolarHBondContact O-CG1 3.45Å; P1310-I1313 PolarHBondContact O-N 3.2Å; N1311-I1313 VanDerWaalsContact C-N 3.28Å; N1311-I1313 PolarHBondContact O-N 3.32Å; I1313-S1315 PolarHBondContact O-N 3.16Å; I1313-I1318 HydrophobicContact CG2-CD1 3.92Å
1314D71.9Confident83.7Confident43 Ų4327.6 Ų27.623%0.2316%0.158CC..  trans-70.694.1168.7-178-2.8000109K1197 I1247 G1312 Q1316 R1317K1197-D1314 WeakPolarHBondContact CE-OD1 3.47Å; K1197-D1314 IonicContact NZ-OD1 2.97Å; K1197-D1314 PolarHBondContact NZ-OD1 3.32Å; K1197-D1314 IonicContact NZ-OD2 3.86Å; K1197-D1314 PolarHBondContact NZ-OD2 2.99Å; I1247-D1314 WeakPolarHBondContact CD1-O 3.41Å; G1312-D1314 PolarHBondContact O-N 3.32Å; D1314-Q1316 PolarHBondContact O-N 3.27Å; D1314-Q1316 PolarHBondContact OD1-N 3.18Å; D1314-Q1316 VanDerWaalsContact OD1-N 3.16Å; D1314-R1317 HydrophobicContact CB-CG 4.12Å; D1314-R1317 VanDerWaalsContact O-CB 3.31Å; D1314-R1317 WeakPolarHBondContact O-CB 3.22Å; D1314-R1317 PolarHBondContact O-N 3.42Å; D1314-R1317 IonicContact OD2-NE 2.74Å; D1314-R1317 PolarHBondContact OD2-NE 3.32Å
1315S66.9Low83.7Confident14 Ų1431.9 Ų31.910%0.09817%0.174CC..G310 helixtrans-64.8-7.4-175.634.50000114.7Q1187 I1313 R1317Q1187-S1315 PolarHBondContact NE2-O 3.1Å; I1313-S1315 PolarHBondContact O-N 3.16Å; S1315-R1317 VanDerWaalsContact C-N 3.31Å
1316Q65.7Low83.8Confident38 Ų3830.1 Ų30.118%0.17817%0.168CC..G310 helixtrans-880.7169.8-62.2176.3-6.800113.4Q1187 T1193 S1196 K1197 D1314Q1187-Q1316 PolarHBondContact OE1-O 3.38Å; T1193-Q1316 PolarHBondContact O-NE2 3.37Å; S1196-Q1316 PolarHBondContact OG-NE2 3.41Å; K1197-Q1316 VanDerWaalsContact CE-OE1 3.27Å; D1314-Q1316 PolarHBondContact O-N 3.27Å; D1314-Q1316 PolarHBondContact OD1-N 3.18Å; D1314-Q1316 VanDerWaalsContact OD1-N 3.16Å
1317R72.1Confident84Confident90 Ų9030.5 Ų30.534%0.3417%0.171SC..G310 helixtrans-104.61.8173.3-64-177.7-178.3-114.6-26.3112.6H1245 E1246 I1247 D1314 S1315H1245-R1317 PolarHBondContact N-O 3.28Å; H1245-R1317 WeakPolarHBondContact O-CB 3.39Å; E1246-R1317 WeakPolarHBondContact O-CD 3.45Å; E1246-R1317 PolarHBondContact O-NH1 3.05Å; E1246-R1317 IonicContact OE2-CZ 2.68Å; E1246-R1317 IonicContact OE2-NH1 2.91Å; E1246-R1317 PolarHBondContact OE2-NH1 3.37Å; E1246-R1317 IonicContact OE2-NH2 2.74Å; E1246-R1317 PolarHBondContact OE2-NH2 3.26Å; I1247-R1317 HydrophobicContact CB-CB 3.95Å; I1247-R1317 HydrophobicContact CD1-CB 3.98Å; I1247-R1317 HydrophobicContact CG1-CB 4.31Å; D1314-R1317 HydrophobicContact CB-CG 4.12Å; D1314-R1317 VanDerWaalsContact O-CB 3.31Å; D1314-R1317 WeakPolarHBondContact O-CB 3.22Å; D1314-R1317 PolarHBondContact O-N 3.42Å; D1314-R1317 IonicContact OD2-NE 2.74Å; D1314-R1317 PolarHBondContact OD2-NE 3.32Å; S1315-R1317 VanDerWaalsContact C-N 3.31Å
1318I72.9Confident84.2Confident1 Ų130.5 Ų30.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-93.2108.3165.8-57.1171.2000106.7Y1212 L1242 I1247 F1249 L1309 I1313Y1212-I1318 PolarHBondContact OH-O 2.92Å; Y1212-I1318 VanDerWaalsContact OH-O 3.1Å; L1242-I1318 HydrophobicContact CD2-CG2 4.16Å; I1247-I1318 HydrophobicContact CD1-CG1 4.11Å; F1249-I1318 HydrophobicContact CE2-CG1 4.42Å; F1249-I1318 HydrophobicContact CZ-CD1 4.01Å; F1249-I1318 HydrophobicContact CZ-CG1 4.22Å; L1309-I1318 HydrophobicContact CD1-CD1 3.47Å; L1309-I1318 VanDerWaalsContact CD1-CD1 3.47Å; L1309-I1318 HydrophobicContact CD2-CD1 3.58Å; L1309-I1318 HydrophobicContact CG-CD1 4.14Å; I1313-I1318 HydrophobicContact CG2-CD1 3.92Å
1319L76.4Confident84.4Confident39 Ų3933 Ų3320%0.20418%0.182CC..EExtended strand (participates in β ladder)trans-86.5-21-168.9-66167.9000113.4Q1187 L1243 H1245 F1288Q1187-L1319 PolarHBondContact N-O 3.48Å; L1243-L1319 HydrophobicContact CB-CB 4.43Å; L1243-L1319 PolarHBondContact O-N 3.37Å; H1245-L1319 HydrophobicContact CB-CD1 3.46Å; H1245-L1319 VanDerWaalsContact CB-CD1 3.46Å; H1245-L1319 HydrophobicContact CB-CG 4.2Å; F1288-L1319 HydrophobicContact CD1-CD1 3.33Å; F1288-L1319 HydrophobicContact CE1-CD1 3.39Å
1320G86.8Confident84.1Confident0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans176.2173.3179.100000113.2Y1185 L1243Y1185-G1320 CarbonylContact O-C 3.56Å; Y1185-G1320 WeakPolarHBondContact O-CA 3.07Å; L1243-G1320 PolarHBondContact N-O 3.26Å
1321L92.3Very high84.1Confident0 Ų035.2 Ų35.20%019%0.193CC..EExtended strand (participates in β ladder)trans-133.3124.6177.6166.366.1000108.2F1184 Y1185 F1208 F1217 L1240 L1242 I1307F1184-L1321 WeakPolarHBondContact CA-O 3.47Å; Y1185-L1321 HydrophobicContact CD2-CD2 4.2Å; Y1185-L1321 HydrophobicContact CD2-CG 4.42Å; Y1185-L1321 PolarHBondContact N-O 3.04Å; Y1185-L1321 PolarHBondContact O-N 3.42Å; F1208-L1321 HydrophobicContact CD1-CD2 4.18Å; F1208-L1321 HydrophobicContact CE1-CB 4.28Å; F1208-L1321 HydrophobicContact CE1-CD2 3.87Å; F1208-L1321 HydrophobicContact CE2-CB 3.79Å; F1208-L1321 HydrophobicContact CE2-CD2 4.22Å; F1208-L1321 HydrophobicContact CZ-CB 3.52Å; F1208-L1321 HydrophobicContact CZ-CD2 3.89Å; F1208-L1321 HydrophobicContact CZ-CG 4.37Å; F1217-L1321 HydrophobicContact CE1-CD2 3.67Å; F1217-L1321 HydrophobicContact CE2-CD2 4.19Å; F1217-L1321 HydrophobicContact CZ-CD2 3.33Å; L1240-L1321 HydrophobicContact CB-CD1 4.16Å; L1240-L1321 HydrophobicContact CD1-CD1 3.77Å; L1242-L1321 HydrophobicContact CD2-CB 4.15Å; L1242-L1321 HydrophobicContact CD2-CD1 3.88Å; L1242-L1321 HydrophobicContact CG-CD1 4.18Å; I1307-L1321 HydrophobicContact CD1-CD1 3.65Å; I1307-L1321 HydrophobicContact CD1-CD2 3.74Å; I1307-L1321 HydrophobicContact CD1-CG 4.33Å
1322E95.1Very high84.6Confident82 Ų8231.6 Ų31.638%0.38317%0.174SC..EExtended strand (participates in β ladder)trans-97.4122.5166.3-168.8-172.6147.300107.9S1183 F1184 L1240 T1241S1183-E1322 CarbonylContact O-C 3.55Å; S1183-E1322 WeakPolarHBondContact O-CA 3.4Å; F1184-E1322 HydrophobicContact CD2-CB 4.06Å; F1184-E1322 HydrophobicContact CD2-CG 4.38Å; F1184-E1322 HydrophobicContact CE2-CB 4.46Å; L1240-E1322 CarbonylContact C-O 3.54Å; L1240-E1322 WeakPolarHBondContact CA-O 3.41Å; T1241-E1322 PolarHBondContact N-O 3.26Å; T1241-E1322 PolarHBondContact O-N 3.06Å
1323L95.4Very high85.4Confident4 Ų429.2 Ų29.22%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-110.4113.8-175.1-171.163.1000108.8P1180 S1183 Y1185 F1217 L1240P1180-L1323 HydrophobicContact CB-CD2 3.77Å; P1180-L1323 HydrophobicContact CB-CG 4.21Å; P1180-L1323 HydrophobicContact CG-CB 4.11Å; P1180-L1323 HydrophobicContact CG-CD2 4.18Å; P1180-L1323 HydrophobicContact CG-CG 4.08Å; P1180-L1323 VanDerWaalsContact CG-O 3.27Å; P1180-L1323 WeakPolarHBondContact CG-O 3.32Å; S1183-L1323 PolarHBondContact O-N 3.33Å; Y1185-L1323 HydrophobicContact CE2-CD2 4.48Å; F1217-L1323 HydrophobicContact CB-CD2 3.74Å; F1217-L1323 HydrophobicContact CD1-CD2 3.99Å; F1217-L1323 HydrophobicContact CD2-CD1 4.22Å; F1217-L1323 HydrophobicContact CD2-CD2 3.79Å; F1217-L1323 HydrophobicContact CE2-CD1 4.34Å; F1217-L1323 HydrophobicContact CE2-CD2 4.43Å; F1217-L1323 HydrophobicContact CG-CD2 3.57Å; L1240-L1323 HydrophobicContact CB-CD1 4.11Å
1324G95.5Very high86.1Confident22 Ų2230.1 Ų30.123%0.22715%0.145CC..EExtended strand (participates in β ladder)trans-74.2162.4-175.900000113.2Q1238 Q1239Q1238-G1324 PolarHBondContact NE2-O 3.24Å; Q1239-G1324 VanDerWaalsContact O-CA 3.23Å; Q1239-G1324 WeakPolarHBondContact O-CA 3.34Å; Q1239-G1324 PolarHBondContact O-N 3.06Å
1325R96.7Very high87Confident89 Ų8929.3 Ų29.334%0.33614%0.139SC..EExtended strand (participates in β ladder)trans-57.9141.2171.1-52.7-168.8-163-169.37.2109.6F1178F1178-R1325 CarbonylContact O-C 3.57Å; F1178-R1325 VanDerWaalsContact O-CA 3.27Å; F1178-R1325 WeakPolarHBondContact O-CA 3.43Å; F1178-R1325 WeakPolarHBondContact O-CB 3.42Å
1326V97.6Very high88.5Confident0 Ų030.4 Ų30.40%014%0.142CC..EExtended strand (participates in β ladder)trans-92.8132.4171.258.90000108.8C1177 F1178 Y1219 Q1238 L1302 P1303 F1328C1177-V1326 CarbonylContact C-O 3.56Å; C1177-V1326 VanDerWaalsContact CA-O 3.26Å; C1177-V1326 WeakPolarHBondContact CA-O 3.45Å; F1178-V1326 HydrophobicContact CD1-CG1 3.95Å; F1178-V1326 HydrophobicContact CD2-CG1 3.7Å; F1178-V1326 HydrophobicContact CE1-CG1 3.67Å; F1178-V1326 HydrophobicContact CE2-CG1 3.36Å; F1178-V1326 HydrophobicContact CG-CG1 3.98Å; F1178-V1326 HydrophobicContact CZ-CG1 3.35Å; F1178-V1326 PolarHBondContact N-O 3.28Å; F1178-V1326 PolarHBondContact O-N 2.95Å; Y1219-V1326 HydrophobicContact CD1-CG1 4.1Å; Y1219-V1326 HydrophobicContact CE1-CG1 4.19Å; Q1238-V1326 HydrophobicContact CB-CB 4.23Å; Q1238-V1326 HydrophobicContact CB-CG2 4.2Å; Q1238-V1326 HydrophobicContact CG-CB 4.12Å; L1302-V1326 HydrophobicContact CB-CG2 3.89Å; L1302-V1326 HydrophobicContact CD1-CG2 4.38Å; P1303-V1326 HydrophobicContact CB-CB 4.39Å; P1303-V1326 HydrophobicContact CB-CG1 4.19Å; P1303-V1326 HydrophobicContact CB-CG2 4.35Å; V1326-F1328 HydrophobicContact CB-CE2 4.37Å; V1326-F1328 HydrophobicContact CG1-CE2 4.09Å; V1326-F1328 HydrophobicContact CG2-CD2 4.14Å; V1326-F1328 HydrophobicContact CG2-CE2 3.43Å; V1326-F1328 VanDerWaalsContact CG2-CE2 3.43Å; V1326-F1328 HydrophobicContact CG2-CZ 3.94Å
1327C98.1Very high90.2Very high8 Ų829.8 Ų29.85%0.05414%0.139CC..EExtended strand (participates in β ladder)trans-120.7137-176.2-65.80000111.3E1175 T1176 C1177 A1236 N1237E1175-C1327 HydrophobicContact CB-CB 4.45Å; T1176-C1327 CarbonylContact O-C 3.58Å; T1176-C1327 WeakPolarHBondContact O-CA 3.34Å; C1177-C1327 HydrophobicContact CB-CB 4.16Å; C1177-C1327 WeakPolarHBondContact CB-SG 3.42Å; C1177-C1327 WeakPolarHBondContact SG-CB 3.3Å; C1177-C1327 CovalentContact SG-SG 2.04Å; C1177-C1327 PolarHBondContact SG-SG 3.28Å; A1236-C1327 CarbonylContact C-O 3.59Å; A1236-C1327 WeakPolarHBondContact CA-O 3.49Å; A1236-C1327 WeakPolarHBondContact CB-O 3.44Å; N1237-C1327 PolarHBondContact N-O 3.39Å; N1237-C1327 PolarHBondContact O-N 3.1Å
1328F98.2Very high91.7Very high0 Ų024.8 Ų24.80%012%0.123CC..EExtended strand (participates in β ladder)trans-124133.6-177.3-72.7-92.6000111.2E1175 T1176 F1178 L1229 Q1230 A1236 P1299 L1302 V1326E1175-F1328 CarbonylContact C-O 3.59Å; E1175-F1328 WeakPolarHBondContact CA-O 3.46Å; T1176-F1328 PolarHBondContact N-O 3.23Å; T1176-F1328 PolarHBondContact O-N 2.88Å; F1178-F1328 HydrophobicContact CD1-CD2 4.38Å; F1178-F1328 HydrophobicContact CD1-CE2 4.4Å; F1178-F1328 AromaticContact CE1-CD2 3.69Å; F1178-F1328 HydrophobicContact CE1-CD2 3.69Å; F1178-F1328 AromaticContact CE1-CE2 3.38Å; F1178-F1328 HydrophobicContact CE1-CE2 3.38Å; F1178-F1328 HydrophobicContact CE1-CZ 4.5Å; F1178-F1328 AromaticContact CZ-CE2 3.79Å; F1178-F1328 HydrophobicContact CZ-CE2 3.79Å; L1229-F1328 HydrophobicContact CD1-CB 4.35Å; L1229-F1328 HydrophobicContact CD2-CB 3.97Å; L1229-F1328 HydrophobicContact CD2-CD2 3.72Å; L1229-F1328 HydrophobicContact CD2-CE2 4.42Å; L1229-F1328 HydrophobicContact CD2-CG 3.91Å; L1229-F1328 HydrophobicContact CG-CB 3.88Å; L1229-F1328 HydrophobicContact CG-CD1 4.46Å; L1229-F1328 HydrophobicContact CG-CD2 4.27Å; L1229-F1328 HydrophobicContact CG-CG 3.97Å; Q1230-F1328 HydrophobicContact CG-CE1 3.71Å; Q1230-F1328 HydrophobicContact CG-CZ 4.27Å; A1236-F1328 HydrophobicContact CB-CD1 3.58Å; A1236-F1328 HydrophobicContact CB-CE1 3.64Å; A1236-F1328 HydrophobicContact CB-CG 4.14Å; A1236-F1328 HydrophobicContact CB-CZ 4.26Å; P1299-F1328 HydrophobicContact CB-CD1 4.04Å; P1299-F1328 HydrophobicContact CB-CE1 3.98Å; L1302-F1328 HydrophobicContact CB-CZ 4.29Å; V1326-F1328 HydrophobicContact CB-CE2 4.37Å; V1326-F1328 HydrophobicContact CG1-CE2 4.09Å; V1326-F1328 HydrophobicContact CG2-CD2 4.14Å; V1326-F1328 HydrophobicContact CG2-CE2 3.43Å; V1326-F1328 VanDerWaalsContact CG2-CE2 3.43Å; V1326-F1328 HydrophobicContact CG2-CZ 3.94Å
1329Q95.5Very high93.4Very high52 Ų5226.9 Ų26.924%0.24313%0.133CC..  trans-129.60-175.2-156.3-175.4-3.800113.3N1138 S1173 E1175 S1234 K1235N1138-Q1329 PolarHBondContact ND2-OXT 2.84Å; S1173-Q1329 PolarHBondContact O-NE2 3.37Å; E1175-Q1329 HydrophobicContact CG-CB 3.88Å; E1175-Q1329 HydrophobicContact CG-CG 3.86Å; S1234-Q1329 WeakPolarHBondContact CA-O 3.19Å; S1234-Q1329 WeakPolarHBondContact CB-O 3.22Å; S1234-Q1329 PolarHBondContact N-O 3.42Å; S1234-Q1329 PolarHBondContact OG-O 2.86Å; K1235-Q1329 HydrophobicContact CG-CB 4.14Å; K1235-Q1329 PolarHBondContact N-O 3.26Å; K1235-Q1329 PolarHBondContact O-N 3.22Å

Retrieved 1,329 of 1,329 residues in 140.1 ms (Link to these results)