A0A2K6DXS5_MACNE Loading...

Collagen type VIII alpha 2 chain

AlphaFold DB , UniProt , Accession A0A2K6DXS5, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene COL8A2, Length 701 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
1M34.2Very low31.2Very low250 Ų250151.5 Ų151.5100%1.23286%0.859SS**  0145.60-73.1171.3170.900108.5
2R29.4Very low31.3Very low248 Ų248152.6 Ų152.694%0.93686%0.859SS**  trans-81.6149.2-179.6-72177.5173.3172.3-3.6111.1
3G27.8Very low32Very low78 Ų78151.2 Ų151.280%0.80485%0.848SS**  trans-156.273.8171.900000109.7
4T30.5Very low32.1Very low123 Ų123152.8 Ų152.876%0.75585%0.852SS**  trans-79.6117.4-175.443.20000111.5
5L28Very low32Very low175 Ų175153.8 Ų153.892%0.91685%0.854SS**  trans-95.4113.1163.8-95.8156.2000108.8
6T29Very low32Very low104 Ų104152.8 Ų152.864%0.63885%0.845SS**  trans-97.9124.817848.10000111.2
7P34.3Very low31.9Very low123 Ų123152.4 Ų152.480%0.79985%0.847SS**  trans-90.3103.5156.131.5-26.6000109.7S9P7-S9 PolarHBondContact O-N 3.17Å
8L33.8Very low31.9Very low161 Ų161152.8 Ų152.884%0.84385%0.847SS**THydrogen-bonded Turntrans-75.7103.9164.3-91.985.4000108.9
9S32.4Very low31.7Very low116 Ų116148.2 Ų148.281%0.81184%0.838SS**THydrogen-bonded Turntrans-161-26.3156.9-161.10000113.8P7 L11P7-S9 PolarHBondContact O-N 3.17Å; S9-L11 PolarHBondContact O-N 3.12Å
10S32.4Very low31.5Very low118 Ų118147.4 Ų147.483%0.82584%0.841SS**SBendtrans-86.45-176.1-55.10000116.1L12S10-L12 PolarHBondContact O-N 3.47Å
11L31.2Very low31.5Very low171 Ų171144.1 Ų144.190%0.89584%0.839SS**THydrogen-bonded Turntrans-97.553.2-171.9-157.377.8000113.8S9S9-L11 PolarHBondContact O-N 3.12Å
12L33Very low31.7Very low164 Ų164138.4 Ų138.486%0.85982%0.821SS**THydrogen-bonded Turntrans-148.730.3163.8-151.377000114.9S10S10-L12 PolarHBondContact O-N 3.47Å
13L40.7Very low31.6Very low135 Ų135138.3 Ų138.371%0.70782%0.82SS**SBendtrans-157.360.3161.8-144.174.3000114.1
14L32.6Very low31.6Very low173 Ų173139.6 Ų139.691%0.90682%0.823SS**  trans-146.893.5164.5-154.476.8000111
15L31.5Very low31.6Very low168 Ų168139.5 Ų139.588%0.8883%0.828SS**  trans-106.9125.8173.5-116.1161.7000109.8
16L31.8Very low31.7Very low137 Ų137137 Ų13772%0.71783%0.825SS**  trans-33.4135.1-176.9-74.1109000117.5L18L16-L18 HydrophobicContact CD2-CD1 4.47Å
17V30.4Very low31.6Very low146 Ų146135.8 Ų135.889%0.88583%0.833SS**  trans-134115.6131.8-177.50000109.2
18L31.9Very low31.4Very low160 Ų160134.1 Ų134.184%0.83884%0.838SS**  trans-111128.4164.1-97.3164.8000106.7L16L16-L18 HydrophobicContact CD2-CD1 4.47Å
19G27.6Very low31.1Very low65 Ų65130.5 Ų130.567%0.6784%0.84SS**  trans157.9119.1168.100000116.9
20C27.4Very low31Very low133 Ų133130.2 Ų130.290%0.89984%0.844SS**  trans55.197.1146.7-59.10000119.5
21G32.1Very low30.8Very low79 Ų79128.5 Ų128.581%0.81485%0.846SS**PPolyproline II helixtrans-81.2144.2153.900000111.9
22P37.2Very low30.7Very low129 Ų129124.4 Ų124.484%0.83884%0.844SS**PPolyproline II helixtrans-96.8152.1167.834.2-29.4000113
23R28Very low30.6Very low246 Ų246121.6 Ų121.693%0.92885%0.845SS**PPolyproline II helixtrans-48.9150.5-178.4-67.9163.8167.1162.6-5.5115.4
24A28.8Very low30.1Very low105 Ų105120.1 Ų120.187%0.86885%0.852SS**PPolyproline II helixtrans-58.4145.1161.400000112.1
25S28.9Very low29.9Very low122 Ų122115.1 Ų115.185%0.85384%0.842SS**  trans-129.7124.7161.9-178.60000108.2
26S29.6Very low29.9Very low123 Ų123118.6 Ų118.686%0.8685%0.845SS**  trans-89.3125176.752.80000110.5
27G28.8Very low29.8Very low77 Ų77116.1 Ų116.179%0.79485%0.845SS**  trans-150.8106.2171.400000110.1
28G28.5Very low29.8Very low89 Ų89115.4 Ų115.492%0.91884%0.843SS**  trans-86.4150.2177.900000112.5
29G28.1Very low29.7Very low84 Ų84113.5 Ų113.587%0.86684%0.838SS**  trans-165.1127.2172.300000109.2
30A29.9Very low29.8Very low110 Ų110119.5 Ų119.591%0.90985%0.846SS**  trans-109160.9-166.700000113.4
31G28.7Very low29.9Very low83 Ų83122.4 Ų122.486%0.85684%0.839SS**  trans119.4137.7152.800000116.1
32G29.1Very low30Very low84 Ų84126 Ų12687%0.86684%0.838SS**  trans128.882.5165.400000114.9
33A30.2Very low29.7Very low106 Ų106127.5 Ų127.588%0.87683%0.834SS**  trans-97.4131.4168.800000111
34A30.2Very low29.9Very low103 Ų103121.4 Ų121.485%0.85183%0.826SS**  trans-159.5127.7158.300000108.9
35G29.1Very low29.9Very low68 Ų68125.4 Ų125.470%0.70183%0.829SS**  trans-107154.4178.300000112.4
36Y30.6Very low30.1Very low241 Ų241128.8 Ų128.895%0.94583%0.831SS**  trans-143.2152.8162.2-92.9-78.5000110.9
37A30.6Very low30.6Very low85 Ų85132.6 Ų132.670%0.70283%0.832SS**PPolyproline II helixtrans-82.1157.3-164.200000114.7V39A37-V39 PolarHBondContact O-N 3.44Å
38P30.5Very low30.7Very low131 Ų131132 Ų13285%0.85183%0.826SS**PPolyproline II helixtrans-79.1117.5177.631-33.8000112.3
39V30.2Very low31Very low121 Ų121134 Ų13473%0.73382%0.823SS**PPolyproline II helixtrans-85.6117.1170.4179.70000109.7A37 Y41A37-V39 PolarHBondContact O-N 3.44Å; V39-Y41 HydrophobicContact CG1-CD2 4.04Å; V39-Y41 HydrophobicContact CG1-CE2 4.12Å; V39-Y41 PolarHBondContact O-N 3.48Å
40K30Very low31.5Very low191 Ų191136.9 Ų136.983%0.8382%0.823SS**PPolyproline II helixtrans-69.8122.5167.7-73.9177.3176.1175.70109.6
41Y28Very low31.7Very low194 Ų194134.4 Ų134.476%0.76181%0.809SS**  trans-105.1114.9158.5-102-88.6000109.9V39 Q43V39-Y41 HydrophobicContact CG1-CD2 4.04Å; V39-Y41 HydrophobicContact CG1-CE2 4.12Å; V39-Y41 PolarHBondContact O-N 3.48Å; Y41-Q43 HydrophobicContact CD1-CG 4.46Å
42I34.9Very low32.2Very low153 Ų153136.4 Ų136.479%0.78581%0.806SS**  trans-99.7126.3163.4-65.8170.8000105.9
43Q30.3Very low32.5Very low162 Ų162138.4 Ų138.476%0.75780%0.804SS**  trans-134.4155.5167.1-84.1-156.21.300111.1Y41Y41-Q43 HydrophobicContact CD1-CG 4.46Å
44P33.4Very low32.7Very low117 Ų117143.3 Ų143.376%0.7681%0.806SS**  trans-88.4151.3-146.5-9.127.3000114Q46P44-Q46 PolarHBondContact O-N 3.31Å; P44-Q46 VanDerWaalsContact O-N 3.1Å
45M29.5Very low32.8Very low189 Ų189149.8 Ų149.893%0.93181%0.808SS**  trans-65.6107.4167.1-70.9177.666.900110.8
46Q32.8Very low33.3Very low193 Ų193155.6 Ų155.690%0.90282%0.817SS**  trans-86.4119164.5-142.1173.647.900108.6P44 G48P44-Q46 PolarHBondContact O-N 3.31Å; P44-Q46 VanDerWaalsContact O-N 3.1Å; Q46-G48 PolarHBondContact O-N 3.24Å
47K39.7Very low33.3Very low204 Ų204147.6 Ų147.689%0.88781%0.808SS**  trans-70.2109.9177-82.3-179.1172.5177.80110.1
48G31.7Very low33.4Very low63 Ų63153.5 Ų153.565%0.64982%0.818SS**PPolyproline II helixtrans-70.1158.3163.600000112Q46Q46-G48 PolarHBondContact O-N 3.24Å
49P33.8Very low33.5Very low132 Ų132150.8 Ų150.886%0.85781%0.814SS**PPolyproline II helixtrans-71.5151.9-168.228.3-35.4000114.1G51P49-G51 PolarHBondContact O-N 3.14Å
50V38.5Very low33.4Very low144 Ų144154.2 Ų154.287%0.87382%0.822SS**PPolyproline II helixtrans-63.1124.8172.5177.30000109.6
51G34.1Very low33.5Very low59 Ų59156.1 Ų156.161%0.60883%0.825SS**PPolyproline II helixtrans-68147.9174.700000112.4P49P49-G51 PolarHBondContact O-N 3.14Å
52P40.1Very low33.6Very low124 Ų124154.2 Ų154.281%0.80583%0.827SS**PPolyproline II helixtrans-68.9154.9179.829.8-35.2000112.1
53P35.1Very low33.5Very low126 Ų126155.6 Ų155.682%0.81883%0.831SS**PPolyproline II helixtrans-71.5158.1-177.430.1-35.6000113
54F33.3Very low33.7Very low210 Ų210155.7 Ų155.792%0.92183%0.833SS**PPolyproline II helixtrans-46.6137.4178.8-102.6-113.3000113.9
55R33.2Very low33.9Very low238 Ų238155.8 Ų155.890%0.89883%0.833SS**  trans-134.5117161.4-158.8179.8-161.5-171.85.7108.5G57R55-G57 PolarHBondContact O-N 3.22Å
56E38.6Very low34.2Very low191 Ų191154.6 Ų154.689%0.89383%0.83SS**  trans-66.6101.4177.3-68.4-177.1140.600110.4
57G31.1Very low34.6Very low72 Ų72151.2 Ų151.274%0.74283%0.825SS**  trans-94.7109.7170.900000110.3R55 G59R55-G57 PolarHBondContact O-N 3.22Å; G57-G59 PolarHBondContact O-N 3.21Å; G57-G59 VanDerWaalsContact O-N 3.15Å
58K32.7Very low34.4Very low210 Ų210149.7 Ų149.791%0.91383%0.825SS**  trans-65.5111.4170.7-66.2-178.9179.9-179.40109Q60K58-Q60 PolarHBondContact O-N 3.37Å
59G32.6Very low34.6Very low74 Ų74154.2 Ų154.276%0.76383%0.834SS**PPolyproline II helixtrans-70.2126.417800000111.9G57G57-G59 PolarHBondContact O-N 3.21Å; G57-G59 VanDerWaalsContact O-N 3.15Å
60Q28.9Very low35Very low193 Ų193154 Ų15490%0.90283%0.832SS**PPolyproline II helixtrans-83.5127.6164.3-72.8176.2-57.700109K58K58-Q60 PolarHBondContact O-N 3.37Å
61Y31.1Very low35Very low230 Ų230155.7 Ų155.790%0.90283%0.833SS**PPolyproline II helixtrans-70.9130.1168.2-104.1-107.4000109.5
62L30.1Very low35.6Very low155 Ų155160.8 Ų160.881%0.81285%0.846SS**  trans-107.399.1167.1-146.582000108.2
63E33.5Very low35.8Very low182 Ų182163.4 Ų163.485%0.8585%0.853SS**  trans-86.7130.8174.9-171.3174.217700109.3
64M33.4Very low35.8Very low163 Ų163167.1 Ų167.180%0.80386%0.856SS**  trans-124111.5-175.1-156.4179.1-60.600109.6
65P38.5Very low36.6Very low119 Ų119160.1 Ų160.177%0.77384%0.843SS**PPolyproline II helixtrans-84.3152.8-172.932.2-34.9000113.6
66L35.9Very low37.3Very low164 Ų164157.9 Ų157.986%0.85984%0.843SS**PPolyproline II helixtrans-73.6146.1174.5-71.2161.4000112.1
67P40.4Very low38.1Very low123 Ų123154.6 Ų154.680%0.79984%0.838SS**PPolyproline II helixtrans-76.7141.6176.630.9-34.1000112.9
68L36.2Very low39.3Very low171 Ų171154.1 Ų154.190%0.89583%0.833SS**PPolyproline II helixtrans-86.5141.8175.7-71.4161.7000111.5
69L35.1Very low40.5Very low158 Ų158150 Ų15083%0.82783%0.828SS**PPolyproline II helixtrans-95.9152.3163.5-70.2175000110.4
70P42.5Very low42.1Very low127 Ų127152.5 Ų152.583%0.82583%0.831SS**PPolyproline II helixtrans-73.4134.9179.25.66.6000111.8
71M38Very low43.4Very low180 Ų180146.7 Ų146.789%0.88782%0.823SS**  trans-105.3123.1170.1-75.5-175164.600110.2
72D47.6Very low44.5Very low166 Ų166145.3 Ų145.389%0.88882%0.821SS**  trans-144.780.5159.7-100.9-42.4000110.4
73L44.7Very low46.4Very low179 Ų179144 Ų14494%0.93782%0.823SS**  trans-165.1100.8158.7-110.3152.2000109.4G75L73-G75 PolarHBondContact O-N 3.38Å
74K35.5Very low47.5Very low204 Ų204138.5 Ų138.589%0.88782%0.815SS**  trans-84.8101.5-175.1-176.2-176.4179.4-173.80110.8
75G49.5Very low48.7Very low64 Ų64137.1 Ų137.166%0.6682%0.818SS**PPolyproline II helixtrans-71.1146.7165.800000111.9L73L73-G75 PolarHBondContact O-N 3.38Å
76E47.9Very low50.2Low191 Ų191142.9 Ų142.989%0.89382%0.824SS**PPolyproline II helixtrans-71.9140.6177.4-64.9-162132.400112G78E76-G78 PolarHBondContact O-N 3.35Å
77P54.6Low51.2Low122 Ų122137.7 Ų137.779%0.79281%0.81SS**PPolyproline II helixtrans-64.6128.6177.3-21.533.5000112.5
78G56.5Low52Low61 Ų61137.6 Ų137.663%0.62981%0.809SS**PPolyproline II helixtrans-62.1151.1170.900000112.4E76E76-G78 PolarHBondContact O-N 3.35Å
79P57.4Low53.8Low123 Ų123135.3 Ų135.380%0.79980%0.804SS**PPolyproline II helixtrans-63.4141.5-174.625.3-34.3000112.1G81P79-G81 PolarHBondContact O-N 3.39Å
80P65.8Low54.9Low127 Ų127130.8 Ų130.883%0.82580%0.797SS**PPolyproline II helixtrans-56.5135.4-179.3-2735000113.5
81G56.7Low55.5Low72 Ų72130.6 Ų130.674%0.74280%0.795SS**PPolyproline II helixtrans-60.1138.917400000111.8P79P79-G81 PolarHBondContact O-N 3.39Å
82K55.7Low57.1Low200 Ų200128 Ų12887%0.8779%0.791SS**PPolyproline II helixtrans-61.8135.8-178.4-62.1-176.4-177.2-178.30110.5G84K82-G84 PolarHBondContact O-N 3.24Å
83P69.5Low57.4Low129 Ų129123.5 Ų123.584%0.83878%0.784SS**PPolyproline II helixtrans-54.8138.3175.8-26.835000112.3
84G55.6Low57.8Low66 Ų66124.6 Ų124.668%0.6878%0.782SS**PPolyproline II helixtrans-62.8150.5177.400000112.3K82 R86K82-G84 PolarHBondContact O-N 3.24Å; G84-R86 PolarHBondContact O-N 2.93Å
85P58.4Low59.3Low134 Ų134120.8 Ų120.887%0.8778%0.778SS**PPolyproline II helixtrans-62.6136.4-178.626.1-34000111.4G87P85-G87 PolarHBondContact O-N 3.06Å
86R71.4Confident59.6Low240 Ų240121.3 Ų121.391%0.90678%0.783SS**PPolyproline II helixtrans-59.5128.7176.8-178.8177.3174.9-177.9-1.2110G84G84-R86 PolarHBondContact O-N 2.93Å
87G56.5Low59.7Low54 Ų54121.8 Ų121.856%0.55778%0.783SS**PPolyproline II helixtrans-58.4150.8177.500000112.8P85P85-G87 PolarHBondContact O-N 3.06Å
88P57.3Low59.8Low122 Ų122122 Ų12279%0.79278%0.784SS**PPolyproline II helixtrans-62.4146.2-177.426.2-34.4000111.5
89P74.8Confident59.3Low122 Ų122122.8 Ų122.879%0.79279%0.792SS**PPolyproline II helixtrans-57.2141.6174.6-23.634000112.1
90G57.3Low59.2Low64 Ų64123.7 Ų123.766%0.6680%0.796SS**PPolyproline II helixtrans-63.4149.817300000111.8
91P55.4Low58.3Low122 Ų122121 Ų12179%0.79279%0.791SS**PPolyproline II helixtrans-63.9146.1179.727-34.4000111.4
92P71.1Confident57.9Low125 Ų125127.1 Ų127.181%0.81280%0.797SS**PPolyproline II helixtrans-57.8141.4175.6-24.334.2000112.5
93G54.2Low58Low72 Ų72123.7 Ų123.774%0.74280%0.796SS**PPolyproline II helixtrans-63.9144.7174.300000112.1
94F52.4Low56.9Low203 Ų203120.9 Ų120.989%0.8979%0.79SS**PPolyproline II helixtrans-62.7138.8179.4-68.3-78.8000111.8G96F94-G96 PolarHBondContact O-N 3.02Å
95P68.1Low56.5Low123 Ų123126.3 Ų126.380%0.79980%0.802SS**PPolyproline II helixtrans-57.4133.9175.3-25.634.7000112.5
96G56Low56.1Low75 Ų75128.9 Ų128.977%0.77380%0.803SS**PPolyproline II helixtrans-62.8139.3174.200000111.7F94F94-G96 PolarHBondContact O-N 3.02Å
97K49Very low55Low201 Ų201120.7 Ų120.787%0.87479%0.792SS**PPolyproline II helixtrans-67.2135.8178.1-65.9-176.2178.5-178.70110.4G99K97-G99 PolarHBondContact O-N 3.2Å
98P57.1Low54.4Low126 Ų126127.2 Ų127.282%0.81881%0.808SS**PPolyproline II helixtrans-59.4131.4174.9-2434.1000112
99G45.4Very low54.4Low78 Ų78127.3 Ų127.380%0.80481%0.809SS**PPolyproline II helixtrans-77.9124.117800000112.3K97 G101K97-G99 PolarHBondContact O-N 3.2Å; G99-G101 PolarHBondContact O-N 3.17Å; G99-G101 VanDerWaalsContact O-N 3.13Å
100T56.3Low53.2Low142 Ų142124.7 Ų124.787%0.87180%0.804SS**  trans-8478.5175.837.70000111.8K102T100-K102 PolarHBondContact O-N 3.21Å
101G45.6Very low52.9Low71 Ų71128.2 Ų128.273%0.73282%0.815SS**PPolyproline II helixtrans-70123168.800000111.6G99G99-G101 PolarHBondContact O-N 3.17Å; G99-G101 VanDerWaalsContact O-N 3.13Å
102K48.1Very low53.1Low200 Ų200127.3 Ų127.387%0.8782%0.818SS**PPolyproline II helixtrans-81.1132.1169.8-67.2-175179.4-177.40109.5T100T100-K102 PolarHBondContact O-N 3.21Å
103P57.5Low52Low129 Ų129124.7 Ų124.784%0.83881%0.814SS**PPolyproline II helixtrans-61.2141.4175.9-23.634.2000112.6
104G47.8Very low51.7Low70 Ų70127.3 Ų127.372%0.72282%0.818SS**PPolyproline II helixtrans-72.4150.8173.800000112.6
105L46.3Very low51.8Low179 Ų179123.5 Ų123.594%0.93781%0.814SS**PPolyproline II helixtrans-67.3135177.2-72.1164.3000110.9
106H51.3Low50.6Low189 Ų189121.4 Ų121.488%0.87581%0.814SS**PPolyproline II helixtrans-64.3134.9176.3-105.958.5000111.6
107G46.5Very low50Low67 Ų67128 Ų12869%0.69182%0.822SS**PPolyproline II helixtrans-70.8143.3167.300000111.3
108Q45Very low49.8Very low191 Ų191124.3 Ų124.389%0.89382%0.821SS**PPolyproline II helixtrans-74.3137.5179.4-66.7-1692.500111.7
109P57.3Low49Very low125 Ų125130.5 Ų130.581%0.81283%0.828SS**PPolyproline II helixtrans-64.7142.2173.5-21.733.6000112.8
110G49.6Very low48.9Very low66 Ų66135.9 Ų135.968%0.6884%0.835SS**PPolyproline II helixtrans-71.8155172.600000113
111P50.9Low48.2Very low138 Ų138132.6 Ų132.690%0.89683%0.828SS**PPolyproline II helixtrans-69.6144.9-176.228.5-34.8000112.9
112A58.7Low48Very low104 Ų104139.1 Ų139.186%0.8684%0.837SS**PPolyproline II helixtrans-77.5146-176.900000113.4
113G48.8Very low47.8Very low69 Ų69134.8 Ų134.871%0.71184%0.838SS**PPolyproline II helixtrans-80.2155.2175.100000113.8
114P48Very low47Very low128 Ų128131.9 Ų131.983%0.83183%0.832SS**PPolyproline II helixtrans-76.9161.2-174.730.7-35.4000114.4
115P54.3Low47.2Very low123 Ų123134.5 Ų134.580%0.79984%0.836SS**PPolyproline II helixtrans-88.4145.6-161.8-6.726.3000115
116G42.6Very low47.6Very low78 Ų78132.6 Ų132.680%0.80484%0.835SS**PPolyproline II helixtrans-92.9139.4170.900000113.2
117F44.9Very low47.1Very low215 Ų215127.1 Ų127.194%0.94383%0.829SS**PPolyproline II helixtrans-80.7139.7-173.3-82.4-103.2000114.5
118S43.1Very low47.2Very low122 Ų122132 Ų13285%0.85384%0.838SS**PPolyproline II helixtrans-85.6140.1170.9-54.10000112.4
119R40.5Very low47.7Very low257 Ų257128.8 Ų128.897%0.9783%0.834SS**  trans-141.7135.8158-150.7176.1-151-136.44.8112.4
120M44.9Very low47.4Very low191 Ų191126.3 Ų126.394%0.94183%0.831SS**  trans-95.2142.1-173.8174.9171.959.100111.4
121G40.9Very low47.5Very low72 Ų72133.2 Ų133.274%0.74284%0.843SS**  trans-162.395.1-178.800000115.9
122K41.4Very low47.8Very low209 Ų209133.6 Ų133.691%0.90984%0.842SS**  trans30.2136152.8-61.4-174.8178.3-176.50121.6
123A42.7Very low47.5Very low109 Ų109131.1 Ų131.190%0.90183%0.827SS**  trans-76.6153.1173.700000114.4
124G42.3Very low47.9Very low68 Ų68133.8 Ų133.870%0.70183%0.832SS**  trans-137.4167.7173.400000111.9
125P50.9Low48.6Very low125 Ų125133.8 Ų133.881%0.81283%0.832SS**  trans-79.9166.8-158.131.7-37.2000115.7G127P125-G127 PolarHBondContact O-N 3.43Å
126P54.6Low48.4Very low139 Ų139131.3 Ų131.390%0.90383%0.829SS**  trans-68.1128.8-171.8-17.731.8000113.8
127G42.5Very low48.8Very low74 Ų74136.8 Ų136.876%0.76383%0.833SS**  trans-104.5155.2173.800000113P125P125-G127 PolarHBondContact O-N 3.43Å
128L48.4Very low49.5Very low169 Ų169132.6 Ų132.689%0.88583%0.827SS**PPolyproline II helixtrans-61.7156.4-168.5-71.3157.1000115.1G130L128-G130 PolarHBondContact O-N 3.49Å
129P54Low49.8Very low124 Ų124130.3 Ų130.381%0.80582%0.823SS**PPolyproline II helixtrans-59.2118.9-179-23.634000113.8
130G51.7Low50.2Low73 Ų73126.6 Ų126.675%0.75382%0.822SS**PPolyproline II helixtrans-72.3137.5169.600000111.6L128L128-G130 PolarHBondContact O-N 3.49Å
131K51.3Low50.6Low211 Ų211129 Ų12992%0.91782%0.82SS**PPolyproline II helixtrans-66.4141.7177.5-64.5-178.7179.4-179.30110.6G133K131-G133 PolarHBondContact O-N 3.43Å
132V58.2Low51Low145 Ų145128.5 Ų128.588%0.87982%0.816SS**PPolyproline II helixtrans-57.3124.4-179.9176.40000110.7
133G52.2Low51.5Low53 Ų53127.5 Ų127.555%0.54681%0.814SS.*PPolyproline II helixtrans-73.7150.6170.200000111.5K131K131-G133 PolarHBondContact O-N 3.43Å
134P57.5Low52.1Low125 Ų125128.2 Ų128.281%0.81281%0.809SS**PPolyproline II helixtrans-61.9143.3-178.726.3-34.4000111.5G136P134-G136 PolarHBondContact O-N 3.16Å
135P61.9Low52.4Low128 Ų128128.4 Ų128.483%0.83181%0.811SS**PPolyproline II helixtrans-56137.2177.8-26.335000112.7
136G49.8Very low52.5Low71 Ų71130.8 Ų130.873%0.73282%0.815SS**PPolyproline II helixtrans-63.6149.3178.300000112.7P134P134-G136 PolarHBondContact O-N 3.16Å
137Q50.5Low52.4Low192 Ų192135.3 Ų135.390%0.89782%0.815SS**PPolyproline II helixtrans-61.6134.3179-71.5179.9-7.100111.1
138P60.5Low52.8Low127 Ų127135 Ų13583%0.82581%0.812SS**PPolyproline II helixtrans-57.1139.6174.4-26.135.2000112.4
139G49.7Very low52.8Low74 Ų74134.7 Ų134.776%0.76381%0.811SS**PPolyproline II helixtrans-61.2151.9179.300000113.3R141G139-R141 PolarHBondContact O-N 2.88Å
140L48.3Very low52.6Low179 Ų179137.9 Ų137.994%0.93782%0.815SS**PPolyproline II helixtrans-57.7129.3-177.9-69.8167.7000111.5G142L140-G142 PolarHBondContact O-N 3.09Å
141R52.8Low52.5Low241 Ų241137.5 Ų137.591%0.90981%0.811SS**PPolyproline II helixtrans-62.5127.2176.2-174.9-179.4-1741772.9109.5G139G139-R141 PolarHBondContact O-N 2.88Å
142G49.8Very low52.2Low63 Ų63135.8 Ų135.865%0.64981%0.811SS**PPolyproline II helixtrans-56.1145.2175.500000112.3L140L140-G142 PolarHBondContact O-N 3.09Å
143E52.3Low51.9Low187 Ų187139.9 Ų139.987%0.87481%0.811SS**PPolyproline II helixtrans-58.8139.7-178.2-62.9-176.6130.800111.2G145E143-G145 PolarHBondContact O-N 3Å
144P55.3Low52Low124 Ų124139.9 Ų139.981%0.80581%0.811SS**PPolyproline II helixtrans-58.1125.5172.4-22.433.5000110.4I146P144-I146 PolarHBondContact O-N 3.34Å
145G47.5Very low51.4Low72 Ų72139.8 Ų139.874%0.74281%0.81SS**PPolyproline II helixtrans-54.6138.1177.100000111.5E143 R147E143-G145 PolarHBondContact O-N 3Å; G145-R147 PolarHBondContact O-N 3.45Å; G145-R147 VanDerWaalsContact O-N 3.12Å
146I53.8Low51.2Low175 Ų175139 Ų13990%0.89781%0.805SS**PPolyproline II helixtrans-46.8118.1177.640.6171.8000111P144 G148P144-I146 PolarHBondContact O-N 3.34Å; I146-G148 PolarHBondContact O-N 2.98Å; I146-G148 VanDerWaalsContact O-N 3.14Å
147R53.3Low51.2Low234 Ų234138.7 Ų138.788%0.88380%0.801SS**  trans-62.8115176.7-172.5-175.1-154172.47.6107.9G145 D149G145-R147 PolarHBondContact O-N 3.45Å; G145-R147 VanDerWaalsContact O-N 3.12Å; R147-D149 PolarHBondContact O-N 3.26Å
148G49.5Very low51Low68 Ų68135.3 Ų135.370%0.70180%0.796SS**  trans-52.4134.4178.300000111.3I146 Q150I146-G148 PolarHBondContact O-N 2.98Å; I146-G148 VanDerWaalsContact O-N 3.14Å; G148-Q150 PolarHBondContact O-N 3.34Å
149D49.8Very low50.8Low162 Ų162135.3 Ų135.387%0.86680%0.796SS**  trans-55.2128.3-173.7-59.8-44.9000110.7R147 G151R147-D149 PolarHBondContact O-N 3.26Å; D149-G151 PolarHBondContact O-N 3.28Å
150Q48.3Very low50.7Low191 Ų191135.1 Ų135.189%0.89380%0.795SS**  trans-66.2109.8177.3-166.6174.231.300108.1G148 L152G148-Q150 PolarHBondContact O-N 3.34Å; Q150-L152 PolarHBondContact O-N 2.92Å
151G50.8Low50.6Low65 Ų65134.7 Ų134.767%0.6779%0.792SS**  trans-49133-174.800000111.9D149 R153D149-G151 PolarHBondContact O-N 3.28Å; G151-R153 PolarHBondContact O-N 3.16Å
152L44.3Very low50.6Low175 Ų175129.2 Ų129.292%0.91679%0.788SS**  trans-49.6113.4-172.1-70.9171.2000110.9Q150 G154Q150-L152 PolarHBondContact O-N 2.92Å; L152-G154 PolarHBondContact O-N 3.42Å; L152-G154 VanDerWaalsContact O-N 3.11Å
153R52.4Low50.3Low231 Ų231129 Ų12987%0.87279%0.786SS**PPolyproline II helixtrans-56.4118.1175.4-176.8179.1-178.1-179.41.1108.3G151G151-R153 PolarHBondContact O-N 3.16Å
154G53.2Low49.7Very low53 Ų53126.6 Ų126.655%0.54679%0.786SS.*PPolyproline II helixtrans-52.8142.8176.300000110.8L152L152-G154 PolarHBondContact O-N 3.42Å; L152-G154 VanDerWaalsContact O-N 3.11Å
155P45.1Very low49Very low124 Ų124126.5 Ų126.581%0.80579%0.789SS**PPolyproline II helixtrans-57.2137.5-176.524-33.6000110.1G157P155-G157 PolarHBondContact O-N 3.21Å
156P58.4Low48.6Very low112 Ų112126.6 Ų126.673%0.72779%0.789SS**PPolyproline II helixtrans-54.6136.7173.5-24.234000110.5
157G49.9Very low47.8Very low63 Ų63126.5 Ų126.565%0.64979%0.789SS**PPolyproline II helixtrans-58.2148.2172.800000110.8P155P155-G157 PolarHBondContact O-N 3.21Å
158P46.1Very low47.5Very low121 Ų121121.3 Ų121.379%0.78678%0.783SS**PPolyproline II helixtrans-59140.4-178.925.1-34000110.6G160P158-G160 PolarHBondContact O-N 3.5Å
159P56.3Low47Very low127 Ų127125.8 Ų125.883%0.82579%0.79SS**PPolyproline II helixtrans-55.4134.4173.4-24.533.9000111.1
160G48.3Very low46.8Very low71 Ų71124.3 Ų124.373%0.73279%0.789SS**PPolyproline II helixtrans-60.5141.4174.600000111.1P158P158-G160 PolarHBondContact O-N 3.5Å
161L45.1Very low46.4Very low170 Ų170118.7 Ų118.789%0.8978%0.782SS**PPolyproline II helixtrans-56.5134.5174.4-73.3166000110G163L161-G163 PolarHBondContact O-N 3.28Å; L161-G163 VanDerWaalsContact O-N 3.16Å
162P52.3Low46.1Very low125 Ų125125 Ų12581%0.81279%0.791SS**PPolyproline II helixtrans-57.5119.9176.8-25.634.7000111.5
163G45.1Very low46.3Very low60 Ų60123 Ų12362%0.61979%0.788SS**PPolyproline II helixtrans-70.6142.7174.800000111.5L161L161-G163 PolarHBondContact O-N 3.28Å; L161-G163 VanDerWaalsContact O-N 3.16Å
164P39.9Very low46.1Very low135 Ų135115.3 Ų115.388%0.87778%0.781SS**PPolyproline II helixtrans-64.1145.1173.228.1-34.3000111.1
165S40Very low45.9Very low123 Ų123117.7 Ų117.786%0.8680%0.796SS**PPolyproline II helixtrans-88.7132.5-171.6-46.70000113.5
166G39.5Very low46Very low73 Ų73120.5 Ų120.575%0.75380%0.798SS**  trans82.1143172.900000113.8
167I36.9Very low45.7Very low174 Ų174118 Ų11889%0.89279%0.793SS**  cis-136.3156.124.7-72.8162.6000111.5
168T46.4Very low45.7Very low124 Ų124121.7 Ų121.776%0.76180%0.803SS**  trans-74.8141.1-174.449.60000115.9
169I38Very low46.4Very low163 Ų163121.3 Ų121.384%0.83680%0.8SS**  trans-164.9150.6139.4-98.8148.9000108.3G171I169-G171 PolarHBondContact O-N 3.23Å
170P45.8Very low46.2Very low131 Ų131118.1 Ų118.185%0.85179%0.791SS**  trans-72.9114.6-159.5-20.934.7000115.5
171G40.4Very low46.3Very low73 Ų73120.6 Ų120.675%0.75379%0.794SS**PPolyproline II helixtrans-75.2145.7166.600000112.5I169I169-G171 PolarHBondContact O-N 3.23Å
172K44.5Very low47Very low198 Ų198118.5 Ų118.586%0.86179%0.79SS**PPolyproline II helixtrans-55.6151.7177.3-62.9172-178.1174.80111.4G174K172-G174 PolarHBondContact O-N 3.24Å
173P49.8Very low46.9Very low131 Ų131116.1 Ų116.185%0.85179%0.788SS**PPolyproline II helixtrans-50.1126.9170.4-25.934.5000111
174G48.1Very low47Very low70 Ų70123.3 Ų123.372%0.72280%0.803SS**PPolyproline II helixtrans-60.3149.617800000111.2K172 Q176K172-G174 PolarHBondContact O-N 3.24Å; G174-Q176 PolarHBondContact O-N 3.26Å
175A47.3Very low47.7Very low104 Ų104126 Ų12686%0.8680%0.804SS**PPolyproline II helixtrans-53.8127.3175.900000109.8G177A175-G177 PolarHBondContact O-N 3.28Å
176Q47.5Very low48Very low182 Ų182123.1 Ų123.185%0.8579%0.794SS**PPolyproline II helixtrans-55.1124.6179.6-178.2176.2-10.700109.3G174 V178G174-Q176 PolarHBondContact O-N 3.26Å; Q176-V178 PolarHBondContact O-N 3.29Å
177G52.9Low48.6Very low59 Ų59128.5 Ų128.561%0.60880%0.8SS**PPolyproline II helixtrans-55.1136.8178.800000110.8A175A175-G177 PolarHBondContact O-N 3.28Å
178V50.2Low49.7Very low142 Ų142126.3 Ų126.386%0.86180%0.797SS**PPolyproline II helixtrans-52.1127176-111.80000109.2Q176 G180Q176-V178 PolarHBondContact O-N 3.29Å; V178-G180 PolarHBondContact O-N 3.43Å
179P59.5Low49.8Very low112 Ų112123.5 Ų123.573%0.72779%0.792SS**PPolyproline II helixtrans-54135.3176.1-27.235.3000110.7
180G52.4Low50.4Low61 Ų61122 Ų12263%0.62979%0.793SS**PPolyproline II helixtrans-57.3150.4174.800000111.1V178V178-G180 PolarHBondContact O-N 3.43Å
181P51.1Low50.8Low123 Ų123124.8 Ų124.880%0.79980%0.795SS**PPolyproline II helixtrans-56.6142.517824.8-33.9000110.3G183P181-G183 PolarHBondContact O-N 3.29Å
182P60.5Low51.1Low125 Ų125124.5 Ų124.581%0.81279%0.791SS**PPolyproline II helixtrans-53.5136.2177.5-25.934.5000111.3
183G49.2Very low51.6Low75 Ų75124 Ų12477%0.77379%0.792SS**PPolyproline II helixtrans-58.5143.7175.800000111.2P181 Q185P181-G183 PolarHBondContact O-N 3.29Å; G183-Q185 PolarHBondContact O-N 3.33Å
184F47.5Very low52.1Low212 Ų212123.8 Ų123.893%0.9379%0.79SS**PPolyproline II helixtrans-56.1129.2176.3-69.9-82.2000110.3G186F184-G186 PolarHBondContact O-N 3.26Å
185Q54Low52.4Low190 Ų190123.5 Ų123.589%0.88879%0.788SS**PPolyproline II helixtrans-60.6127.5173.2-178.2174.6-7.900108.8G183G183-Q185 PolarHBondContact O-N 3.33Å
186G47.5Very low52.8Low64 Ų64124.4 Ų124.466%0.6679%0.785SS**PPolyproline II helixtrans-58.9143.817900000111.7F184F184-G186 PolarHBondContact O-N 3.26Å
187E50.6Low53.6Low186 Ų186121.9 Ų121.987%0.86978%0.784SS**PPolyproline II helixtrans-57.4142.2177.3-67.4-173.9113.700110.8G189E187-G189 PolarHBondContact O-N 2.89Å
188P59.8Low53.6Low128 Ų128122.8 Ų122.883%0.83179%0.793SS**PPolyproline II helixtrans-54.5131.8173.1-24.734.5000110.9
189G49.1Very low53.7Low64 Ų64124 Ų12466%0.6680%0.795SS**PPolyproline II helixtrans-57.5147.7179.600000112E187 Q191E187-G189 PolarHBondContact O-N 2.89Å; G189-Q191 PolarHBondContact O-N 3.48Å
190P50Low53.4Low131 Ų131130.4 Ų130.485%0.85181%0.805SS**PPolyproline II helixtrans-58.5139.3-177.624.5-34000111.2G192P190-G192 PolarHBondContact O-N 3Å
191Q54.1Low53Low191 Ų191130.7 Ų130.789%0.89381%0.808SS**PPolyproline II helixtrans-57.6126.9177.1-179.2176.7-18.200110G189G189-Q191 PolarHBondContact O-N 3.48Å
192G48.7Very low52.7Low66 Ų66133.3 Ų133.368%0.6881%0.814SS**PPolyproline II helixtrans-59.9143.9-177.500000112.9P190P190-G192 PolarHBondContact O-N 3Å
193E53.8Low52.1Low187 Ų187136.1 Ų136.187%0.87481%0.814SS**PPolyproline II helixtrans-61141-178.6-63.5-171.9122.200111.7G195E193-G195 PolarHBondContact O-N 3.09Å
194P59.6Low51.9Low127 Ų127135.7 Ų135.783%0.82581%0.809SS**PPolyproline II helixtrans-58.6132.6174.7-23.834.3000111.7
195G54.3Low52.1Low64 Ų64131 Ų13166%0.6679%0.794SS**PPolyproline II helixtrans-60.7149.5178.700000112.8E193E193-G195 PolarHBondContact O-N 3.09Å
196P56.8Low51.8Low123 Ų123131.5 Ų131.580%0.79980%0.796SS**PPolyproline II helixtrans-62.6147.2-177.826-34.4000111.9G198P196-G198 PolarHBondContact O-N 3.43Å
197P63.3Low51.5Low130 Ų130132.1 Ų132.184%0.84480%0.802SS**PPolyproline II helixtrans-58.6134.6176.1-23.133.8000112
198G53.8Low51.4Low77 Ų77130.7 Ų130.779%0.79481%0.806SS**PPolyproline II helixtrans-68.6144.5-177.700000113.9P196P196-G198 PolarHBondContact O-N 3.43Å
199D53.2Low50.7Low169 Ų169127.9 Ų127.990%0.90480%0.8SS**PPolyproline II helixtrans-63.4146.5-177.4-73.2-51.3000113.9G201D199-G201 PolarHBondContact O-N 3.19Å
200R52.2Low50.7Low245 Ų245133.6 Ų133.693%0.92581%0.81SS**  trans-78.6104.3-173.1-171179.6-175.2-178.32.7112.1
201G43.8Very low50.8Low68 Ų68133.6 Ų133.670%0.70181%0.81SS**PPolyproline II helixtrans-58.6147.9170.900000114.1D199D199-G201 PolarHBondContact O-N 3.19Å
202L44.3Very low50.5Low178 Ų178128.1 Ų128.193%0.93281%0.805SS**PPolyproline II helixtrans-76.4151.7-164.8-68.5163000114.7G204L202-G204 PolarHBondContact O-N 3.1Å
203K47.7Very low50.7Low183 Ų183133 Ų13380%0.79681%0.814SS**PPolyproline II helixtrans-71.8120.2170.9-176.1-164174.8-146.50110.1D205K203-D205 VanDerWaalsContact CE-OD1 3.26Å; K203-D205 WeakPolarHBondContact CE-OD1 3.17Å; K203-D205 IonicContact NZ-OD1 3.15Å; K203-D205 PolarHBondContact NZ-OD1 3.18Å; K203-D205 VanDerWaalsContact NZ-OD1 3.15Å
204G45.4Very low51Low66 Ų66130 Ų13068%0.6881%0.811SS**  trans-126.5141.3164.400000109.7L202L202-G204 PolarHBondContact O-N 3.1Å
205D52.5Low50.6Low115 Ų115127.6 Ų127.662%0.61581%0.809SS**SBendtrans-82.8142.5-166.9-57-65.6000113.1K203K203-D205 VanDerWaalsContact CE-OD1 3.26Å; K203-D205 WeakPolarHBondContact CE-OD1 3.17Å; K203-D205 IonicContact NZ-OD1 3.15Å; K203-D205 PolarHBondContact NZ-OD1 3.18Å; K203-D205 VanDerWaalsContact NZ-OD1 3.15Å
206H47.6Very low50.7Low199 Ų199129 Ų12992%0.92182%0.815SS**SBendtrans60.199.8176.1-57-75.8000118.1
207G40.5Very low50.9Low77 Ų77129.3 Ų129.379%0.79482%0.817SS**  trans158.2133.8163.800000112.4G209G207-G209 PolarHBondContact O-N 3.11Å
208V48.9Very low50.2Low157 Ų157127 Ų12795%0.95282%0.816SS**  trans-73.2122.8-178-176.30000110.3
209G45.5Very low50Low69 Ų69132.9 Ų132.971%0.71182%0.823SS**  trans-125.4127.2173.600000111.5G207G207-G209 PolarHBondContact O-N 3.11Å
210Q48.2Very low50Low184 Ų184128.4 Ų128.486%0.8682%0.817SS**PPolyproline II helixtrans-76.6146.7178.1-69.7175.7-8.800111.5G212Q210-G212 PolarHBondContact O-N 3.39Å
211P53.4Low49.9Very low131 Ų131120.4 Ų120.485%0.85181%0.811SS**PPolyproline II helixtrans-61.3130.9170.5-21.933.7000112.1
212G47.6Very low50.3Low76 Ų76121.8 Ų121.878%0.78482%0.815SS**PPolyproline II helixtrans-69.9149.8177.200000113.4Q210Q210-G212 PolarHBondContact O-N 3.39Å
213L53.3Low51.1Low169 Ų169119.3 Ų119.389%0.88581%0.81SS**PPolyproline II helixtrans-69.2150.2-176.4-73161.4000113
214P60.3Low51Low122 Ų122113.9 Ų113.979%0.79281%0.806SS**PPolyproline II helixtrans-59.1144174.9-23.734.3000113.5
215G50.2Low51.5Low77 Ų77116.6 Ų116.679%0.79481%0.812SS**PPolyproline II helixtrans-65.3143.6178.100000113.4
216A55.9Low51.5Low95 Ų95117.2 Ų117.279%0.78582%0.822SS**PPolyproline II helixtrans-70.7143.8-177.900000112.6
217P61.9Low51.3Low129 Ų129111.4 Ų111.484%0.83882%0.816SS**PPolyproline II helixtrans-60.3141.9173.6-23.334000112.9
218G48.7Very low51.7Low80 Ų80115.8 Ų115.883%0.82582%0.82SS**PPolyproline II helixtrans-65.7141.7178.900000113.3
219Q49.5Very low51.6Low201 Ų201114.4 Ų114.494%0.93981%0.814SS**PPolyproline II helixtrans-69.4128.3175.9-76.3-178.9-26.300111.6
220G53.6Low51.5Low75 Ų75115.1 Ų115.177%0.77382%0.822SS**PPolyproline II helixtrans-72.3145.8165.500000111.7
221G49.1Very low51.1Low77 Ų77111.7 Ų111.779%0.79483%0.825SS**PPolyproline II helixtrans-65146.6-177.200000114.1
222A52Low50.5Low97 Ų97110.5 Ų110.580%0.80283%0.826SS**PPolyproline II helixtrans-70.6138.6-178.700000112.7
223P61.3Low50.1Low127 Ų127110.5 Ų110.583%0.82583%0.826SS**PPolyproline II helixtrans-62.4146.1170.7-22.834.3000113
224G46.1Very low49.3Very low68 Ų68111.5 Ų111.570%0.70183%0.831SS**PPolyproline II helixtrans-69.5152.2179.500000114
225P56.4Low48.2Very low124 Ų124109.2 Ų109.281%0.80583%0.83SS**PPolyproline II helixtrans-72.3146.4-175.929.1-35.1000113.1
226P51.6Low47.8Very low127 Ų127115.4 Ų115.483%0.82584%0.835SS**PPolyproline II helixtrans-65.8146.9174.5-20.933.3000113.7
227G44.1Very low47.7Very low77 Ų77117.1 Ų117.179%0.79484%0.839SS**PPolyproline II helixtrans-72.5143.5175.400000113.6
228L48.8Very low46.7Very low169 Ų169114.4 Ų114.489%0.88583%0.834SS**PPolyproline II helixtrans-78.8144.7-177.9-71.6165.9000112.9
229P45.9Very low46.3Very low128 Ų128118.4 Ų118.483%0.83184%0.836SS**PPolyproline II helixtrans-69.8140.5173-17.831.9000113.2
230G43.6Very low46.4Very low85 Ų85116.4 Ų116.488%0.87683%0.831SS**PPolyproline II helixtrans-86139.8176.900000113.9
231A39.7Very low45.8Very low112 Ų112116.7 Ų116.793%0.92683%0.834SS**PPolyproline II helixtrans-96.1168175.300000112.5
232A40.9Very low46Very low105 Ų105121.4 Ų121.487%0.86884%0.84SS**  trans-109.9139-168.700000114.9
233G40.3Very low45.8Very low76 Ų76123 Ų12378%0.78484%0.843SS**  trans109.6131.2135.500000120.5
234L35.6Very low44.9Very low190 Ų190120.2 Ų120.2100%0.99584%0.836SS**  trans94.4123.8145.2-15275000120.5
235G36.3Very low45.3Very low75 Ų75121.8 Ų121.877%0.77384%0.843SS**  trans139.3123.8161.400000116.6
236K42.5Very low45.4Very low206 Ų206121.9 Ų121.990%0.89684%0.843SS**  trans-134.6179.6167.8-45.6-179.5178.9-178.50108.1
237P53.6Low45.3Very low132 Ų132119.3 Ų119.386%0.85784%0.84SS**  cis-138-179-13.239.8-21.3000116.4
238G41.4Very low45.6Very low72 Ų72123.6 Ų123.674%0.74285%0.845SS**  trans110151.515400000117.1
239L40.7Very low45.9Very low164 Ų164125.5 Ų125.586%0.85985%0.846SS**  cis-158.8171.6-15.7-120.6170.9000108.9
240D51.9Low46.4Very low159 Ų159122.3 Ų122.385%0.8584%0.836SS**  trans-73.8162.5-156.9-58.8-64.5000120.3
241G40.8Very low46.7Very low80 Ų80127.5 Ų127.583%0.82584%0.838SS**  trans173.999.4160.700000116.5
242L51.7Low47.5Very low176 Ų176127.8 Ų127.892%0.92183%0.833SS**  trans-92.6140.8172.3-70.5163.6000111
243P49.2Very low48.3Very low132 Ų132125.6 Ų125.686%0.85782%0.821SS**  -150.8171.288.537.7-19.1000114.3
244G43Very low49.1Very low67 Ų67127.7 Ų127.769%0.69182%0.82SS**  cis-165.2170.7-1.100000110.2P246G244-P246 WeakPolarHBondContact O-CD 3.36Å
245A54.4Low50.5Low102 Ų102124.6 Ų124.684%0.84381%0.812SS**PPolyproline II helixtrans-87.8130.1-16300000115.9
246P56.6Low51.4Low125 Ų125124.4 Ų124.481%0.81281%0.81SS**PPolyproline II helixtrans-80132.1150.9-9.728.7000109.6G244G244-P246 WeakPolarHBondContact O-CD 3.36Å
247G50Low51.8Low74 Ų74121 Ų12176%0.76381%0.806SS**PPolyproline II helixtrans-68.2155.6-157.500000117.6K249G247-K249 PolarHBondContact O-N 3.32Å
248D50.3Low52.3Low166 Ų166120.5 Ų120.589%0.88880%0.803SS**PPolyproline II helixtrans-57.9122175.7-63.1-53.3000111.4G250D248-G250 PolarHBondContact O-N 3.24Å
249K56.5Low53.2Low210 Ų210119.9 Ų119.991%0.91380%0.797SS**  trans-69.7101.7164.3-176.7178.3-179.4179.10106.9G247 E251G247-K249 PolarHBondContact O-N 3.32Å; K249-E251 PolarHBondContact O-N 3.45Å
250G55Low53.9Low61 Ų61118.1 Ų118.163%0.62980%0.795SS**  trans-42.4129.9-17000000113.5D248 S252D248-G250 PolarHBondContact O-N 3.24Å; G250-S252 PolarHBondContact O-N 3.46Å
251E50.3Low54.3Low194 Ų194121.8 Ų121.891%0.90780%0.797SS**PPolyproline II helixtrans-55.9126.3178.2-67.8-169.4132.600109.8K249 G253K249-E251 PolarHBondContact O-N 3.45Å; E251-G253 PolarHBondContact O-N 3.44Å; E251-G253 VanDerWaalsContact O-N 3.09Å
252S57.2Low54.9Low117 Ų117120.8 Ų120.882%0.81879%0.787SS**PPolyproline II helixtrans-58.1117.7170.8-58.50000108.1G250G250-S252 PolarHBondContact O-N 3.46Å
253G56.4Low54.9Low60 Ų60121.1 Ų121.162%0.61978%0.784SS**PPolyproline II helixtrans-50.2143.3-17900000111.4E251E251-G253 PolarHBondContact O-N 3.44Å; E251-G253 VanDerWaalsContact O-N 3.09Å
254P58.3Low55.6Low119 Ų119120.5 Ų120.577%0.77378%0.78SS**PPolyproline II helixtrans-53.6135-17421.4-33.2000110.1G256P254-G256 PolarHBondContact O-N 3.09Å; P254-G256 VanDerWaalsContact O-N 3.11Å
255P64.3Low56.1Low126 Ų126120.5 Ų120.582%0.81878%0.78SS**PPolyproline II helixtrans-49.8123.5180-28.935.1000110.5V257P255-V257 PolarHBondContact O-N 3.5Å
256G55.6Low55.9Low71 Ų71120.4 Ų120.473%0.73278%0.779SS**PPolyproline II helixtrans-51.7125.3-17600000110.2P254 P258P254-G256 PolarHBondContact O-N 3.09Å; P254-G256 VanDerWaalsContact O-N 3.11Å; G256-P258 WeakPolarHBondContact O-CD 3.49Å; G256-P258 VanDerWaalsContact O-N 3.12Å
257V50.5Low55.8Low135 Ų135121.2 Ų121.282%0.81878%0.781SS**PPolyproline II helixtrans-52.6121-177-149.90000107.9P255 G259P255-V257 PolarHBondContact O-N 3.5Å; V257-G259 PolarHBondContact O-N 3.11Å
258P64.3Low56.1Low120 Ų120120.1 Ų120.178%0.77977%0.771SS**PPolyproline II helixtrans-55.1118.6175.6-26.535.4000108.2G256G256-P258 WeakPolarHBondContact O-CD 3.49Å; G256-P258 VanDerWaalsContact O-N 3.12Å
259G59.8Low56.1Low60 Ų60118.4 Ų118.462%0.61977%0.768SS**PPolyproline II helixtrans-52.8140.5-177.900000109.6V257 R261V257-G259 PolarHBondContact O-N 3.11Å; G259-R261 PolarHBondContact O-N 3Å; G259-R261 VanDerWaalsContact O-N 3.09Å
260P55.7Low55.9Low127 Ų127117.4 Ų117.483%0.82576%0.764SS**PPolyproline II helixtrans-52.4125.3-178.322.4-33.1000108.5G262P260-G262 PolarHBondContact O-N 3.33Å
261R59.6Low55.7Low235 Ų235117 Ų11789%0.88776%0.76SS**  trans-52.5111.6175.6176.3-178.9-178.9172.31.5106.5G259 E263G259-R261 PolarHBondContact O-N 3Å; G259-R261 VanDerWaalsContact O-N 3.09Å; R261-E263 PolarHBondContact O-N 2.86Å
262G54.7Low55.9Low60 Ų60113.3 Ų113.362%0.61975%0.753SS**  trans-50.2132.6-176.600000109.5P260P260-G262 PolarHBondContact O-N 3.33Å
263E51.6Low55.7Low183 Ų183112.9 Ų112.986%0.85575%0.747SS**  trans-51.3132.5173.7-65.8-168.9137.900108R261 G265R261-E263 PolarHBondContact O-N 2.86Å; E263-G265 PolarHBondContact O-N 2.91Å
264P63Low54.9Low118 Ų118113.6 Ų113.677%0.76675%0.754SS**  trans-52.9114.4174.2-24.934.2000108A266P264-A266 PolarHBondContact O-N 3.11Å
265G54.3Low54.4Low68 Ų68114.6 Ų114.670%0.70176%0.758SS**  trans-50.4132.4-172.400000109.9E263 V267E263-G265 PolarHBondContact O-N 2.91Å; G265-V267 PolarHBondContact O-N 3.42Å; G265-V267 VanDerWaalsContact O-N 3.09Å
266A49.1Very low53.2Low100 Ų100116.7 Ų116.783%0.82676%0.762SS**  trans-45.3122.7-17500000109.5P264 G268P264-A266 PolarHBondContact O-N 3.11Å; A266-G268 PolarHBondContact O-N 2.87Å
267V55.9Low52.5Low141 Ų141116.7 Ų116.786%0.85576%0.762SS**  trans-53.3111.1-177.2174.60000107.3G265G265-V267 PolarHBondContact O-N 3.42Å; G265-V267 VanDerWaalsContact O-N 3.09Å
268G55.8Low51.6Low52 Ų52117.3 Ų117.354%0.53677%0.766SS.*  trans-51.9136.918000000108.7A266 K270A266-G268 PolarHBondContact O-N 2.87Å; G268-K270 PolarHBondContact O-N 3.27Å
269P51.3Low50.3Low129 Ų129114.4 Ų114.484%0.83876%0.758SS**  trans-51.8121.9-174.521.6-33.1000108.3G271P269-G271 PolarHBondContact O-N 2.83Å
270K51.4Low49Very low190 Ų190118.3 Ų118.383%0.82677%0.769SS**  trans-48.1113.7-175.7178-176.8177.7-178.40108G268G268-K270 PolarHBondContact O-N 3.27Å
271G49.9Very low48.4Very low52 Ų52118.3 Ų118.354%0.53677%0.769SS.*PPolyproline II helixtrans-51.3132.6177.700000108.8P269P269-G271 PolarHBondContact O-N 2.83Å
272P55.4Low47.5Very low117 Ų117110.6 Ų110.676%0.7676%0.763SS**PPolyproline II helixtrans-54.5136.5174.224.3-32.7000108G274P272-G274 PolarHBondContact O-N 2.96Å
273P52.8Low47.4Very low108 Ų108113.1 Ų113.170%0.70178%0.778SS**PPolyproline II helixtrans-49.8130.2172.8-26.434.6000109.4V275P273-V275 PolarHBondContact O-N 3.47Å; P273-V275 VanDerWaalsContact O-N 3.14Å
274G40.6Very low46.6Very low74 Ų74109.1 Ų109.176%0.76378%0.776SS**PPolyproline II helixtrans-57.2121.3-179.700000110P272 D276P272-G274 PolarHBondContact O-N 2.96Å; G274-D276 PolarHBondContact O-N 3.22Å
275V47.3Very low45.5Very low140 Ų140106.8 Ų106.885%0.84877%0.774SS**  trans-81.7106.3156.1-74.90000106.1P273 G277P273-V275 PolarHBondContact O-N 3.47Å; P273-V275 VanDerWaalsContact O-N 3.14Å; V275-G277 PolarHBondContact O-N 3.46Å; V275-G277 VanDerWaalsContact O-N 3.12Å
276D38.5Very low45.4Very low170 Ų170112.5 Ų112.591%0.90979%0.787SS**  trans-59.7118.1168.9-83-34.7000108G274G274-D276 PolarHBondContact O-N 3.22Å
277G40.4Very low45.1Very low71 Ų71113.4 Ų113.473%0.73279%0.785SS**  trans-79.4145.4-174.400000111.9V275V275-G277 PolarHBondContact O-N 3.46Å; V275-G277 VanDerWaalsContact O-N 3.12Å
278V32.6Very low44.6Very low149 Ų149109.9 Ų109.990%0.90378%0.776SS**  trans-96.9110.7139.6-1790000105.6
279G35.8Very low44.4Very low59 Ų59113.9 Ų113.961%0.60879%0.793SS**  trans-78.5-158.917200000111.7
280V32.9Very low44.2Very low142 Ų142117 Ų11786%0.86180%0.797SS**  cis-145.9-149.410.8-161.50000108.4
281P42.6Very low44.2Very low126 Ų126110.6 Ų110.682%0.81878%0.784SS**  trans-82177.3-13041.9-29.5000114.4
282G40.8Very low44.2Very low73 Ų73114.4 Ų114.475%0.75380%0.799SS**  cis-173.9161.53.500000110.3
283A52.4Low44.2Very low113 Ų113114.5 Ų114.593%0.93480%0.803SS**  trans-76.9147.2-16000000115.9
284A35.3Very low44.1Very low99 Ų99113 Ų11382%0.81881%0.807SS**  trans-131.9135.4161.100000110.6
285G39.9Very low44.4Very low70 Ų70114.3 Ų114.372%0.72281%0.81SS**  trans45.2109.3155.900000120.1P287G285-P287 WeakPolarHBondContact O-CD 3.49Å
286L53.3Low45Very low188 Ų188117.2 Ų117.298%0.98481%0.812SS**  trans-67.8121.6164.1-76.7162.8000112.1
287P41.7Very low45.6Very low119 Ų119112.2 Ų112.277%0.77380%0.801SS**  trans-115.3123.6170.813.710000112G285G285-P287 WeakPolarHBondContact O-CD 3.49Å
288G45.2Very low46Very low66 Ų66117.4 Ų117.468%0.6881%0.806SS**  trans67.9122.8155.300000118.3Q290G288-Q290 PolarHBondContact O-N 3.01Å
289P53.2Low47.5Very low137 Ų137116.3 Ų116.389%0.8980%0.802SS**PPolyproline II helixtrans-64.2119.816827.8-32.6000109.9
290Q45.8Very low48.5Very low195 Ų195117 Ų11791%0.91181%0.809SS**PPolyproline II helixtrans-63.7137.2-180-171.4172.93.800110.7G288G288-Q290 PolarHBondContact O-N 3.01Å
291G51.9Low49.3Very low55 Ų55116.9 Ų116.957%0.56781%0.809SS**PPolyproline II helixtrans-60155.9-177.300000113.5S293G291-S293 PolarHBondContact O-N 2.83Å
292P49.9Very low50.2Low131 Ų131122.2 Ų122.285%0.85181%0.812SS**PPolyproline II helixtrans-62134.2-173.826-34.7000111.7G294P292-G294 PolarHBondContact O-N 3.15Å
293S55.9Low51.3Low120 Ų120121.2 Ų121.284%0.83980%0.802SS**PPolyproline II helixtrans-54136.8173.7-65.30000111.4G291G291-S293 PolarHBondContact O-N 2.83Å
294G50.3Low51.4Low75 Ų75121.6 Ų121.677%0.77380%0.795SS**PPolyproline II helixtrans-53.9141.4179.300000112.5P292 K296P292-G294 PolarHBondContact O-N 3.15Å; G294-K296 PolarHBondContact O-N 3Å
295A47.3Very low52.5Low102 Ų102122.7 Ų122.784%0.84379%0.794SS**PPolyproline II helixtrans-58.3128.1-175.800000111.5G297A295-G297 PolarHBondContact O-N 3.01Å
296K59.2Low53.2Low201 Ų201122.6 Ų122.687%0.87479%0.793SS**PPolyproline II helixtrans-57.4122.6164.7179.8-177.8-179.8-177.90107.8G294 E298G294-K296 PolarHBondContact O-N 3Å; K296-E298 PolarHBondContact O-N 3.25Å
297G51.8Low52.9Low66 Ų66122.2 Ų122.268%0.6879%0.791SS**PPolyproline II helixtrans-50.5132.9-178.300000111.9A295A295-G297 PolarHBondContact O-N 3.01Å
298E48.7Very low53.2Low180 Ų180124.2 Ų124.284%0.84179%0.793SS**PPolyproline II helixtrans-61.5138.3-177.4-63.4-171.2130.300110.7K296 G300K296-E298 PolarHBondContact O-N 3.25Å; E298-G300 PolarHBondContact O-N 3.38Å
299P64.7Low53.6Low126 Ų126123.6 Ų123.682%0.81879%0.787SS**PPolyproline II helixtrans-56.5124.1164.9-20.832.8000109T301P299-T301 PolarHBondContact O-N 3.19Å
300G56.6Low53.3Low74 Ų74123.2 Ų123.276%0.76379%0.785SS**PPolyproline II helixtrans-50.1135.3-17800000111.7E298 R302E298-G300 PolarHBondContact O-N 3.38Å; G300-R302 PolarHBondContact O-N 3.36Å
301T49.8Very low53Low138 Ų138120.7 Ų120.785%0.84778%0.783SS**PPolyproline II helixtrans-53.5126.4-174.545.50000110.8P299 G303P299-T301 PolarHBondContact O-N 3.19Å; T301-G303 PolarHBondContact O-N 3.21Å
302R61Low52.5Low238 Ų238121.1 Ų121.190%0.89879%0.788SS**PPolyproline II helixtrans-56.1116.9174179.9178.2-179.3170.10.8108.2G300G300-R302 PolarHBondContact O-N 3.36Å
303G62.8Low52.4Low52 Ų52126.5 Ų126.554%0.53679%0.793SS.*PPolyproline II helixtrans-53.2147.8177.200000111.5T301T301-G303 PolarHBondContact O-N 3.21Å
304P54.2Low51.8Low122 Ų122124.4 Ų124.479%0.79279%0.79SS**PPolyproline II helixtrans-55.7142.1-177.823.8-33.8000110.2G306P304-G306 PolarHBondContact O-N 3.45Å
305P60.3Low51.3Low122 Ų122129.7 Ų129.779%0.79280%0.797SS**PPolyproline II helixtrans-54.1125.3176.8-24.633.7000110.4L307P305-L307 PolarHBondContact O-N 3.24Å
306G54.5Low51.5Low68 Ų68131 Ų13170%0.70180%0.797SS**PPolyproline II helixtrans-56.6137.5171.600000110P304 I308P304-G306 PolarHBondContact O-N 3.45Å; G306-I308 PolarHBondContact O-N 3.42Å
307L46.9Very low51Low180 Ų180124.8 Ų124.894%0.94279%0.789SS**PPolyproline II helixtrans-53.6132.1176.8-78162.2000109.9P305 G309P305-L307 PolarHBondContact O-N 3.24Å; L307-G309 PolarHBondContact O-N 3.38Å
308I47.3Very low50.8Low160 Ų160129.6 Ų129.682%0.82180%0.798SS**  trans-65.8104.8-179.8-64.2173000108.6G306G306-I308 PolarHBondContact O-N 3.42Å
309G52.9Low51.5Low54 Ų54127 Ų12756%0.55780%0.797SS**PPolyproline II helixtrans-67.1141.5160.900000109.8L307 T311L307-G309 PolarHBondContact O-N 3.38Å; G309-T311 PolarHBondContact O-N 3.4Å
310P47.9Very low51.2Low129 Ų129124 Ų12484%0.83879%0.789SS**PPolyproline II helixtrans-64.8131.4-175.425.8-33.9000111.8G312P310-G312 PolarHBondContact O-N 3.01Å
311T38.8Very low51Low141 Ų141126.7 Ų126.787%0.86579%0.793SS**PPolyproline II helixtrans-66.5117.1-172.5-400000112.5G309G309-T311 PolarHBondContact O-N 3.4Å
312G41.7Very low51.4Low65 Ų65129.6 Ų129.667%0.6779%0.794SS**  trans-110.8134.2167.800000111.2P310P310-G312 PolarHBondContact O-N 3.01Å
313Y47.9Very low51.1Low244 Ų244121.4 Ų121.496%0.95778%0.784SS**  trans-49.2135.5-174.1-65.1-99.2000115.9
314G43.4Very low50.4Low75 Ų75126.7 Ų126.777%0.77380%0.8SS**  trans-174.4144.4169.700000111.7
315M39.7Very low50.6Low187 Ų187132.5 Ų132.592%0.92181%0.806SS**PPolyproline II helixtrans-67.2154.8-173.9-66.5-178.6172.100113.4G317M315-G317 PolarHBondContact O-N 3.36Å
316P50.2Low50.4Low130 Ų130129.5 Ų129.584%0.84480%0.797SS**PPolyproline II helixtrans-59.1120.5171-21.533.2000111.5
317G49.8Very low50.5Low69 Ų69132.6 Ų132.671%0.71181%0.805SS**PPolyproline II helixtrans-67.3158.8173.400000112.5M315M315-G317 PolarHBondContact O-N 3.36Å
318L48.5Very low51Low168 Ų168128.6 Ų128.688%0.8880%0.798SS**PPolyproline II helixtrans-58.4148.1178.3-74.197.5000111.7G320L318-G320 PolarHBondContact O-N 3.3Å
319P63Low51Low126 Ų126124.6 Ų124.682%0.81880%0.796SS**PPolyproline II helixtrans-53.8127.2169-2434000110.9
320G57.3Low51Low63 Ų63128.6 Ų128.665%0.64981%0.809SS**PPolyproline II helixtrans-60.3149.617900000112.1L318 K322L318-G320 PolarHBondContact O-N 3.3Å; G320-K322 PolarHBondContact O-N 3.39Å
321P53.1Low51.6Low130 Ų130128.2 Ų128.284%0.84481%0.807SS**PPolyproline II helixtrans-58.4137.3179.224.8-33.6000110.7G323P321-G323 PolarHBondContact O-N 3.14Å
322K58.4Low52Low198 Ų198125.4 Ų125.486%0.86181%0.806SS**PPolyproline II helixtrans-60.5119.5176.1-178.3-176.9180-179.70108.8G320G320-K322 PolarHBondContact O-N 3.39Å
323G53.9Low52.2Low67 Ų67130.9 Ų130.969%0.69182%0.819SS**PPolyproline II helixtrans-54.3140-17700000113.1P321P321-G323 PolarHBondContact O-N 3.14Å
324D48.8Very low52.4Low163 Ų163127.3 Ų127.387%0.87282%0.815SS**PPolyproline II helixtrans-62.4146.5-175.8-71.8-59000112.7G326D324-G326 PolarHBondContact O-N 3.12Å
325R58Low52.6Low244 Ų244127 Ų12792%0.92181%0.812SS**PPolyproline II helixtrans-70.3123.7178.1-175.5177.9-177.1169.80108.7
326G56.6Low53.1Low59 Ų59126.1 Ų126.161%0.60881%0.811SS**PPolyproline II helixtrans-52.1144.8178.100000112.7D324D324-G326 PolarHBondContact O-N 3.12Å
327P55.6Low53Low132 Ų132131.6 Ų131.686%0.85782%0.815SS**PPolyproline II helixtrans-61.8150.4-173.225.1-34.2000112.2
328A58.1Low52.7Low97 Ų97131.6 Ų131.680%0.80282%0.815SS**PPolyproline II helixtrans-67.9144.8177.100000111.2
329G48.4Very low52.8Low75 Ų75133 Ų13377%0.77382%0.817SS**PPolyproline II helixtrans-62.9137178.700000112.4
330V51.3Low52.2Low139 Ų139133 Ų13384%0.84282%0.817SS**PPolyproline II helixtrans-68.3136.2178.3-810000111.9
331P61.3Low51.5Low120 Ų120133.9 Ų133.978%0.77983%0.825SS**PPolyproline II helixtrans-61.4149167.9-22.734.6000112.3
332G47.4Very low51.6Low82 Ų82137 Ų13785%0.84583%0.829SS**PPolyproline II helixtrans-65.9144.9-177.700000113.9
333L45.2Very low51.2Low181 Ų181135.7 Ų135.795%0.94883%0.831SS**PPolyproline II helixtrans-72.1145.5-177.2-70.6164.7000112.8
334L52.1Low50.7Low169 Ų169135.9 Ų135.989%0.88583%0.833SS**PPolyproline II helixtrans-80.6139.7168.6-174.570.1000109.1
335G48Very low50.9Low67 Ų67137.4 Ų137.469%0.69184%0.835SS**PPolyproline II helixtrans-64.3152.6-168.100000116.5
336D50.3Low51.1Low169 Ų169132 Ų13290%0.90483%0.832SS**PPolyproline II helixtrans-69.7147.5-163.6-51-62.9000115.5
337R48.9Very low50.8Low245 Ų245132.9 Ų132.993%0.92584%0.841SS**  trans-143.392.6165.9-171178.8-177.9176.40.9112.4
338G43.6Very low50.7Low69 Ų69136.2 Ų136.271%0.71185%0.845SS**  trans57.6105.8149.900000118.6
339E50.5Low50.7Low199 Ų199140.9 Ų140.993%0.9385%0.85SS**  trans-68.1143.6171.4-59.6175.5132.800113.3
340P48.6Very low51.1Low125 Ų125140.1 Ų140.181%0.81284%0.842SS**  trans-129116.7148.315.26.6000112.7
341G42.8Very low51.2Low81 Ų81140 Ų14084%0.83584%0.844SS**  trans66.9118.8146.500000119.9
342E56.9Low51Low195 Ų195143.6 Ų143.691%0.91185%0.851SS**  trans-70.7151.4170.1-60.1174.1107.400113.5
343D50Low51.2Low172 Ų172143 Ų14392%0.9284%0.844SS**  trans-135.8140.1155.3-106-31.9000108.6
344G43.2Very low51.7Low71 Ų71143.1 Ų143.173%0.73285%0.845SS**PPolyproline II helixtrans-84.8166.3-158.100000118.5
345E52.2Low52Low195 Ų195138.4 Ų138.491%0.91184%0.837SS**PPolyproline II helixtrans-70.7134.4-173.2-60.7-168.5115.800115.5
346P62.3Low52.3Low130 Ų130138.4 Ų138.484%0.84484%0.837SS**PPolyproline II helixtrans-79.9127.5159.4-14.531.3000111.9
347G50.1Low52.5Low78 Ų78136.4 Ų136.480%0.80483%0.834SS**PPolyproline II helixtrans-76.7172.8-169.400000118
348E54.6Low53.2Low201 Ų201130.8 Ų130.894%0.93983%0.828SS**PPolyproline II helixtrans-59.4140.5-171.7-60.4-176.6119.200115.5
349Q56.9Low53.5Low196 Ų196130.9 Ų130.992%0.91683%0.829SS**PPolyproline II helixtrans-93.2123.4166.2-174.4174.3-10.300110.7
350G57.4Low53.2Low59 Ų59129.6 Ų129.661%0.60883%0.828SS**PPolyproline II helixtrans-67.5164.2-17500000115.8
351P52.7Low53.9Low135 Ų135129.4 Ų129.488%0.87783%0.827SS**PPolyproline II helixtrans-72.9132.4-168.829-35.5000113.5
352Q58Low54.2Low196 Ų196129.2 Ų129.292%0.91683%0.825SS**PPolyproline II helixtrans-80.8136.9173-1681720.400111.2
353G52Low53.6Low69 Ų69125.9 Ų125.971%0.71182%0.823SS**PPolyproline II helixtrans-71.1159-168.100000116.7G355G353-G355 PolarHBondContact O-N 3.15Å
354L54Low53.6Low185 Ų185122.3 Ų122.397%0.96982%0.817SS**PPolyproline II helixtrans-63.5117.1-179.3-76.5159.4000113.1
355G60Low53.8Low70 Ų70122.4 Ų122.472%0.72282%0.819SS**PPolyproline II helixtrans-81.2138.216300000111.6G353G353-G355 PolarHBondContact O-N 3.15Å
356G52.8Low53.4Low66 Ų66121.4 Ų121.468%0.6882%0.819SS**PPolyproline II helixtrans-66.3153.5-179.300000113.8P358G356-P358 WeakPolarHBondContact O-CD 3.17Å
357P54.7Low53.1Low128 Ų128120.9 Ų120.983%0.83182%0.815SS**PPolyproline II helixtrans-67.7128.8-174.426.7-34.2000112.4
358P64.6Low53.1Low126 Ų126120.9 Ų120.982%0.81882%0.815SS**PPolyproline II helixtrans-62.1145.3169.4-22.734.3000112.2G356G356-P358 WeakPolarHBondContact O-CD 3.17Å
359G49.1Very low52.8Low71 Ų71123.4 Ų123.473%0.73282%0.816SS**PPolyproline II helixtrans-62.7142.917800000113P361G359-P361 WeakPolarHBondContact O-CD 3.36Å
360L45Very low52.6Low173 Ų173125.7 Ų125.791%0.90682%0.816SS**PPolyproline II helixtrans-60.7122.2-176.2-72168000112.4
361P62.6Low52.3Low121 Ų121125.6 Ų125.679%0.78682%0.815SS**PPolyproline II helixtrans-65.4143169.9-20.934000111.9G359G359-P361 WeakPolarHBondContact O-CD 3.36Å
362G49.9Very low52.3Low77 Ų77125.1 Ų125.179%0.79481%0.812SS**PPolyproline II helixtrans-61143178.800000113.1A364G362-A364 PolarHBondContact O-N 3.49Å
363S43.4Very low52.4Low125 Ų125121.8 Ų121.887%0.87481%0.807SS**PPolyproline II helixtrans-63.6118.3-174.555.70000112.9
364A49.8Very low52.3Low96 Ų96121.6 Ų121.679%0.79381%0.806SS**PPolyproline II helixtrans-65.1143.517000000111.6G362G362-A364 PolarHBondContact O-N 3.49Å
365G47.7Very low52.3Low74 Ų74119.1 Ų119.176%0.76380%0.8SS**PPolyproline II helixtrans-64141.4179.900000113P367G365-P367 WeakPolarHBondContact O-CD 3.41Å
366L43.9Very low52Low173 Ų173125.5 Ų125.591%0.90681%0.809SS**PPolyproline II helixtrans-65.6124.8-177.3-72.8167.4000112.2
367P56.3Low51.9Low119 Ų119125.7 Ų125.777%0.77381%0.81SS**PPolyproline II helixtrans-63.2145.1170.4-22.634.5000112.3G365G365-P367 WeakPolarHBondContact O-CD 3.41Å
368G49.8Very low51.6Low78 Ų78129 Ų12980%0.80482%0.815SS**PPolyproline II helixtrans-59.2137.1-179.900000113.1R370G368-R370 PolarHBondContact O-N 3.11Å
369R48Very low50.8Low254 Ų254128 Ų12896%0.95882%0.816SS**PPolyproline II helixtrans-66.6123.6-178.6-74.1-175171.8-130.4-1.1111.5
370R53.7Low50.9Low245 Ų245127.7 Ų127.793%0.92581%0.814SS**PPolyproline II helixtrans-61133.2166.4-172.1179.9-177.5-162.21.8109.7G368G368-R370 PolarHBondContact O-N 3.11Å
371G49.3Very low50.9Low56 Ų56125.9 Ų125.958%0.57781%0.812SS**PPolyproline II helixtrans-62.4153177.900000113
372P52.8Low50.5Low125 Ų125124 Ų12481%0.81282%0.815SS**PPolyproline II helixtrans-65.8147.6-179.527.8-34.6000111.9
373P60.2Low50.4Low126 Ų126123.6 Ų123.682%0.81881%0.811SS**PPolyproline II helixtrans-59.5142.4171.4-2233.6000111.9
374G50.3Low50.5Low66 Ų66123.6 Ų123.668%0.6881%0.808SS**PPolyproline II helixtrans-64.8151.4176.100000112.8
375P53.5Low50.4Low132 Ų132125.5 Ų125.586%0.85781%0.812SS**PPolyproline II helixtrans-64.5143.3-17926.8-34.3000112G377P375-G377 PolarHBondContact O-N 3Å
376K53.8Low50.1Low205 Ų205125.7 Ų125.789%0.89181%0.814SS**PPolyproline II helixtrans-65.6125.2174.1-178.5-177.7177.4-175.60109.4
377G51.9Low50.1Low69 Ų69124.1 Ų124.171%0.71181%0.811SS**PPolyproline II helixtrans-61.1144.3178.400000113.1P375P375-G377 PolarHBondContact O-N 3Å
378E48Very low49.3Very low199 Ų199124.7 Ų124.793%0.9382%0.815SS**PPolyproline II helixtrans-71.8152.8177.6-63.6-176.4144.100111.8
379A48.8Very low49Very low103 Ų103124.7 Ų124.785%0.85182%0.815SS**PPolyproline II helixtrans-77.1129.3179.700000111
380G49.7Very low48.6Very low66 Ų66120.9 Ų120.968%0.6881%0.812SS**PPolyproline II helixtrans-68.9152.1176.500000113.1
381P46.3Very low48Very low134 Ų134120.8 Ų120.887%0.8781%0.812SS**PPolyproline II helixtrans-68.3144178.729.1-34.7000111.7
382G53.2Low48.4Very low82 Ų82120.9 Ų120.985%0.84581%0.813SS**PPolyproline II helixtrans-69.9139.7-177.500000113.8
383G47.8Very low47.7Very low69 Ų69122.9 Ų122.971%0.71182%0.817SS**PPolyproline II helixtrans-83.6161.6175.200000113.9
384P45.1Very low46.7Very low124 Ų124126.4 Ų126.481%0.80582%0.822SS**PPolyproline II helixtrans-75.2158.1-176.231.3-35.8000113.5
385P48.1Very low46.5Very low136 Ų136126.5 Ų126.588%0.88382%0.823SS**PPolyproline II helixtrans-66.5139.2-179.4-19.632.9000113.8
386G42.8Very low45.7Very low78 Ų78126.8 Ų126.880%0.80483%0.825SS**PPolyproline II helixtrans-92.3153175.200000113.8
387V42.4Very low45.1Very low140 Ų140123.4 Ų123.485%0.84883%0.827SS**PPolyproline II helixtrans-80.9156-178-78.10000113.9
388P41.1Very low44.6Very low131 Ų131123.6 Ų123.685%0.85183%0.829SS**PPolyproline II helixtrans-64.2143.1-175.9-2234.4000114.6
389G42.6Very low43.9Very low79 Ų79122.9 Ų122.981%0.81483%0.831SS**PPolyproline II helixtrans-101.7164.4-177.600000115.2
390I39.2Very low43.6Very low173 Ų173123 Ų12389%0.88783%0.832SS**  trans-106.5141.518050.7174.2000112.6
391R40.8Very low43.4Very low243 Ų243123 Ų12392%0.91783%0.832SS**  trans-61.9146.9168.6-167.6-177.7-161.5166.24.5109.3
392G58.1Low42.8Very low58 Ų58126.7 Ų126.760%0.59883%0.834SS**  cis132.9151.213.300000108.3
393D39Very low42.7Very low168 Ų168129.3 Ų129.390%0.89884%0.836SS**  trans174.6163.9150.5-86.5-14.3000112.3
394Q38.1Very low42.3Very low199 Ų199129.3 Ų129.393%0.9384%0.837SS**  trans-139.6144.2-152.1-179.7-173.27.600115.8
395G46.2Very low41.9Very low68 Ų68131.7 Ų131.770%0.70184%0.842SS**  trans99.2164.1151.500000117
396P37.9Very low42.1Very low138 Ų138131.9 Ų131.990%0.89684%0.843SS**  cis-124.6-170.87.840.5-24.2000115.2
397S40.6Very low42.2Very low134 Ų134131.4 Ų131.494%0.93784%0.838SS**  trans-111.2158.9-166.5-530000116.8
398G41.8Very low42Very low73 Ų73134.2 Ų134.275%0.75384%0.842SS**  trans137137.3150.600000113.4
399L31.8Very low42.4Very low184 Ų184140.2 Ų140.296%0.96385%0.848SS**  cis-149.8168.226.6-77162.8000112.3
400A44.2Very low42.2Very low107 Ų107139.4 Ų139.488%0.88484%0.839SS**  trans-76.9162.3177.200000113.3
401G43.8Very low41.9Very low66 Ų66139 Ų13968%0.6884%0.838SS**  cis166.7-177.1-1.100000110.4
402K33.9Very low42.2Very low210 Ų210134.2 Ų134.291%0.91384%0.838SS**  trans-176.2137.4158.5-105.2161.6-170.7-178.50110.1
403P51.8Low41.4Very low137 Ų137134.9 Ų134.989%0.8985%0.845SS**  trans-88.1146.2-177.532.4-31.8000113.2
404G39Very low41.5Very low70 Ų70131.7 Ų131.772%0.72284%0.843SS**  trans-175.3120.1170.800000114.6
405L36.1Very low41.8Very low173 Ų173131.6 Ų131.691%0.90684%0.842SS**  trans64.9113.7165.1-59.6172.9000118.7G407L405-G407 PolarHBondContact O-N 3.26Å
406P53.2Low41.6Very low141 Ų141131.2 Ų131.292%0.91684%0.838SS**  trans-75120.8167.1-7.924.8000111.1
407G45.7Very low42Very low68 Ų68130.5 Ų130.570%0.70183%0.833SS**  trans-134.9137.1173.900000111.6L405L405-G407 PolarHBondContact O-N 3.26Å
408E37.5Very low42.9Very low198 Ų198130.2 Ų130.293%0.92583%0.828SS**  trans54.8114.4168.9-54.5-160.6140.900119G410E408-G410 PolarHBondContact O-N 2.8Å
409R48.4Very low43.1Very low257 Ų257129.8 Ų129.897%0.9782%0.824SS**  trans-77.784.5167.3-177.8-178.7-84-170.4-5.4110.3
410G39.3Very low43.9Very low62 Ų62127.5 Ų127.564%0.63982%0.82SS**  trans-85136.6162.800000112.7E408E408-G410 PolarHBondContact O-N 2.8Å
411L32.8Very low44.2Very low166 Ų166129.3 Ų129.387%0.86982%0.82SS**  trans28111.5155.2-60.5173000119.8G413L411-G413 PolarHBondContact O-N 3.35Å
412P48.1Very low44.2Very low141 Ų141129.1 Ų129.192%0.91682%0.818SS**  trans-69107.8160.9-14.830.3000111.4
413G41.5Very low45.1Very low72 Ų72125.8 Ų125.874%0.74282%0.818SS**  trans-99.1129.517200000112.7L411L411-G413 PolarHBondContact O-N 3.35Å
414A39.2Very low45Very low102 Ų102129.3 Ų129.384%0.84382%0.819SS**  trans24.9115163.100000120.1
415H44.4Very low45.2Very low197 Ų197129.4 Ų129.491%0.91282%0.82SS**PPolyproline II helixtrans-76.8138.6156.3-124.652.8000110.3
416G43.5Very low45.9Very low60 Ų60130.6 Ų130.662%0.61982%0.821SS**PPolyproline II helixtrans-75.7155.4174.600000113
417P45.3Very low45.4Very low123 Ų123130.1 Ų130.180%0.79982%0.818SS**PPolyproline II helixtrans-74.3148.1-175.330.2-35.5000113.3
418P60.4Low45.6Very low127 Ų127130.2 Ų130.283%0.82582%0.819SS**PPolyproline II helixtrans-60.5153.1166.1-22.234.2000113
419G45.9Very low46.2Very low65 Ų65130.7 Ų130.767%0.6782%0.818SS**PPolyproline II helixtrans-70.3159-177.800000114.7
420P47.7Very low45.6Very low136 Ų136125.4 Ų125.488%0.88382%0.815SS**PPolyproline II helixtrans-75.3134.6-175.930.5-34.9000112.9
421T50.4Low45.8Very low145 Ų145126.1 Ų126.189%0.8982%0.822SS**PPolyproline II helixtrans-83.3137.3170.7-54.10000110.3
422G44.4Very low46.8Very low61 Ų61130.1 Ų130.163%0.62983%0.826SS**PPolyproline II helixtrans-73.2164.3-173.400000115.8
423P53.2Low46.6Very low141 Ų141129.9 Ų129.992%0.91682%0.824SS**PPolyproline II helixtrans-74.5142.4-176.631.3-35.3000112.5
424K48.4Very low46.9Very low211 Ų211130.3 Ų130.392%0.91783%0.828SS**  trans-111.9129.1173.9-170.6177179.9-177.80109.6
425G44.1Very low47.4Very low71 Ų71129.2 Ų129.273%0.73283%0.827SS**  trans-90.8175.4-165.700000117.5
426E49.7Very low47.6Very low198 Ų198126.5 Ų126.593%0.92583%0.827SS**  trans-78.3149-177.4-53.1175.6143.700113.4
427P44.7Very low47.7Very low132 Ų132126.8 Ų126.886%0.85783%0.829SS**  -148.5172.1125.132-12.8000114.8
428G48.1Very low47.5Very low70 Ų70128 Ų12872%0.72283%0.834SS**  trans-154.4-160.7-179.200000117.5
429F50.2Low46.7Very low207 Ų207126.9 Ų126.991%0.90884%0.835SS**  trans84.3153.6171.3-83.3-79.4000122.9
430T37Very low46.6Very low147 Ų147127.6 Ų127.690%0.90284%0.843SS**  trans80.9143.8175.170.70000118
431G42.7Very low46.8Very low76 Ų76126.1 Ų126.178%0.78484%0.842SS**  cis-175.1158.4-8.200000112.3
432R53.8Low46.4Very low251 Ų251127.8 Ų127.895%0.94785%0.845SS**  trans-87.5151.3-176-74.3-178.5173.6-178.1-2.2114.5
433P44.9Very low46.7Very low136 Ų136127.8 Ų127.888%0.88385%0.845SS**  -140.9173.9122.621.20.9000114.4
434G47.1Very low46Very low81 Ų81130.8 Ų130.884%0.83585%0.847SS**  trans-172.6-175.2179.600000118.1
435G50.5Low45.9Very low78 Ų78130.1 Ų130.180%0.80484%0.844SS**  trans79.9164.6178.900000115.6
436P48Very low45.9Very low141 Ų141130.1 Ų130.192%0.91684%0.844SS**  cis-117.5-163-16.342.1-26.8000111.8
437G44.8Very low46.1Very low65 Ų65127.9 Ų127.967%0.6784%0.838SS**  cis157.8143.9-2000000116.7
438V42.7Very low45.9Very low150 Ų150130.5 Ų130.591%0.90984%0.844SS**  trans77.9137.7154.3-135.80000124.3
439A43.1Very low45.5Very low102 Ų102130.4 Ų130.484%0.84384%0.843SS**  trans77.3147.4152.700000120.4
440G43Very low45.5Very low80 Ų80129.2 Ų129.283%0.82585%0.846SS**  cis-156.4-169.25.300000113.7
441A52.9Low46Very low106 Ų106128.4 Ų128.488%0.87684%0.842SS**  trans-124.5170-160.600000116.7
442L41.3Very low46.1Very low179 Ų179128 Ų12894%0.93784%0.839SS**  trans109.5139159.2-152.768.4000116.1
443G49.8Very low46.2Very low62 Ų62125.5 Ų125.564%0.63984%0.838SS**  trans-124.9-160.4-174.700000113.5
444Q38.8Very low46.8Very low203 Ų203125.1 Ų125.195%0.94984%0.835SS**  trans-164.2147.8159.9-115.3175.775.700116.3
445K46.3Very low46.8Very low198 Ų198125 Ų12586%0.86183%0.833SS**  trans-33.3155.8172.8-177.1-178.1-176.9-178.30121.1
446G45.1Very low46.9Very low71 Ų71130.1 Ų130.173%0.73284%0.842SS**  trans178.2110.9149.500000116.1
447D53Low47.4Very low150 Ų150135 Ų13580%0.80284%0.842SS**  trans-117.6131.6172.5-70.6-58.1000111.8
448L40.3Very low47.6Very low187 Ų187134.6 Ų134.698%0.97984%0.838SS**  trans176.8146.7156.4-127.272.2000107.9
449G40.6Very low48.2Very low69 Ų69133.9 Ų133.971%0.71184%0.836SS**  cis-176.1167.5-500000109.6
450L50Low48.2Very low182 Ų182134.6 Ų134.695%0.95384%0.835SS**  trans-80.7131.4-179.3-71.7158.2000112.2
451P48Very low48.2Very low129 Ų129134.2 Ų134.284%0.83883%0.831SS**  -151.9171.8103.737.2-19.2000113.8
452G43.8Very low48.1Very low68 Ų68137.2 Ų137.270%0.70183%0.831SS**  cis-170.4173.5-1.500000109.7P454G452-P454 WeakPolarHBondContact O-CD 3.36Å
453Q55.4Low48.8Very low199 Ų199134.2 Ų134.293%0.9382%0.822SS**PPolyproline II helixtrans-73.1127.4-172.5-75.6-178.8-21.500114.6
454P59Low48.6Very low127 Ų127134.8 Ų134.883%0.82583%0.828SS**PPolyproline II helixtrans-83.6144.2163.5-11.530.6000112.2G452G452-P454 WeakPolarHBondContact O-CD 3.36Å
455G46.2Very low48.8Very low78 Ų78133.9 Ų133.980%0.80483%0.828SS**PPolyproline II helixtrans-80.8173-164.600000118.2
456L53.8Low49.3Very low186 Ų186133.2 Ų133.297%0.97483%0.828SS**PPolyproline II helixtrans-59.7127.4-178.7-70.2162.6000112.8
457R56.9Low49.6Very low243 Ų243132.6 Ų132.692%0.91782%0.822SS**PPolyproline II helixtrans-98.6134.2172.8-170172.2-178.7166.31110.6
458G48.9Very low49.6Very low57 Ų57131.7 Ų131.759%0.58882%0.824SS**PPolyproline II helixtrans-65.9163.1-174.200000115.3
459P55.1Low50.5Low136 Ų136127.3 Ų127.388%0.88382%0.816SS**PPolyproline II helixtrans-70.4143.6-169.830-35.3000112.2
460S44.7Very low51.1Low117 Ų117126.9 Ų126.982%0.81881%0.811SS**  trans-135.8142.7171.9-72.20000110.5
461G42Very low51.3Low71 Ų71124.5 Ų124.573%0.73281%0.806SS**  trans-35.9139.6-163.200000118.7P463G461-P463 WeakPolarHBondContact O-CD 3.45Å
462I51.4Low51.9Low170 Ų170126.3 Ų126.387%0.87281%0.807SS**  trans-58.8114178.2-55.4164.1000111.1
463P56.1Low52.4Low115 Ų115125.6 Ų125.675%0.74780%0.8SS**  trans-79.1151.6163.2-8.629.4000109.8G461G461-P463 WeakPolarHBondContact O-CD 3.45Å
464G44.6Very low52.4Low75 Ų75122.4 Ų122.477%0.77380%0.796SS**  trans-59151.5-163.900000116.5Q466G464-Q466 PolarHBondContact O-N 2.86Å; G464-Q466 VanDerWaalsContact O-N 3.16Å
465L43.7Very low52.3Low183 Ų183125.2 Ų125.296%0.95880%0.798SS**  trans-52.2115.8174.9-76.9161.8000111.6
466Q56.6Low52.5Low184 Ų184124.5 Ų124.586%0.8679%0.791SS**PPolyproline II helixtrans-65.5134.7165.9-169170.620.900108.8G464G464-Q466 PolarHBondContact O-N 2.86Å; G464-Q466 VanDerWaalsContact O-N 3.16Å
467G51.8Low52.2Low59 Ų59123.8 Ų123.861%0.60879%0.788SS**PPolyproline II helixtrans-58148.8178.300000111.7A469G467-A469 PolarHBondContact O-N 2.85Å
468P52.9Low52.5Low130 Ų130117.6 Ų117.684%0.84478%0.779SS**PPolyproline II helixtrans-58.3129.7-175.924.3-33.8000110.7
469A58.7Low52.7Low96 Ų96118.4 Ų118.479%0.79379%0.787SS**PPolyproline II helixtrans-58.6139.6171.300000109.8G467G467-A469 PolarHBondContact O-N 2.85Å
470G53.5Low52.4Low59 Ų59120.6 Ų120.661%0.60879%0.79SS**PPolyproline II helixtrans-57.4148.1173.300000110.8I472G470-I472 PolarHBondContact O-N 2.83Å
471P55Low53Low132 Ų132124.1 Ų124.186%0.85779%0.791SS**PPolyproline II helixtrans-57.5128.7-177.123.8-33.6000110.6G473P471-G473 PolarHBondContact O-N 2.84Å
472I59.4Low53.6Low168 Ų168123.7 Ų123.786%0.86279%0.787SS**PPolyproline II helixtrans-59.7122.8173.3-67.8172.2000107.7G470G470-I472 PolarHBondContact O-N 2.83Å
473G55.1Low53.5Low53 Ų53124.7 Ų124.755%0.54679%0.788SS.*PPolyproline II helixtrans-59.1145.6176.200000111P471 Q475P471-G473 PolarHBondContact O-N 2.84Å; G473-Q475 PolarHBondContact O-N 3.01Å
474P55.4Low53.5Low132 Ų132124.7 Ų124.786%0.85779%0.788SS**PPolyproline II helixtrans-57.2129.9-17523.2-33.5000111.1G476P474-G476 PolarHBondContact O-N 2.94Å
475Q57.3Low53.5Low185 Ų185124.4 Ų124.486%0.86479%0.785SS**PPolyproline II helixtrans-58.8122.1177.3-177.7176.5-5.500109.6G473 L477G473-Q475 PolarHBondContact O-N 3.01Å; Q475-L477 PolarHBondContact O-N 3.17Å
476G50.3Low53.7Low63 Ų63124 Ų12465%0.64978%0.783SS**PPolyproline II helixtrans-58.8137.5178.400000111.6P474P474-G476 PolarHBondContact O-N 2.94Å
477L46.8Very low53.8Low172 Ų172121 Ų12190%0.90178%0.779SS**PPolyproline II helixtrans-55.1129.3176.1-75.7170.7000110.4Q475 G479Q475-L477 PolarHBondContact O-N 3.17Å; L477-G479 PolarHBondContact O-N 2.94Å
478P63.3Low53.6Low112 Ų112121.2 Ų121.273%0.72778%0.781SS**PPolyproline II helixtrans-57.5130.5174.9-25.234.7000111.3
479G52.3Low53.6Low74 Ų74121.2 Ų121.276%0.76378%0.781SS**PPolyproline II helixtrans-60.5140.4176.200000111.6L477 K481L477-G479 PolarHBondContact O-N 2.94Å; G479-K481 PolarHBondContact O-N 2.91Å; G479-K481 VanDerWaalsContact O-N 3.16Å
480L49.4Very low53Low182 Ų182122.8 Ų122.895%0.95378%0.783SS**PPolyproline II helixtrans-57.8119.8178.5-72169.8000110.2G482L480-G482 PolarHBondContact O-N 3.12Å
481K57.3Low52.6Low191 Ų191123.7 Ų123.783%0.8379%0.792SS**PPolyproline II helixtrans-66.5124.9179.3-177.9-179.8178-177.30109.5G479G479-K481 PolarHBondContact O-N 2.91Å; G479-K481 VanDerWaalsContact O-N 3.16Å
482G54.2Low52.4Low63 Ų63127.2 Ų127.265%0.64980%0.798SS**PPolyproline II helixtrans-58.7144.9177.100000112.7L480 P484L480-G482 PolarHBondContact O-N 3.12Å; G482-P484 WeakPolarHBondContact O-CD 3.25Å
483E49.2Very low51.5Low190 Ų190122.7 Ų122.789%0.88879%0.792SS**PPolyproline II helixtrans-64.4126.5-176.2-64.2-176.1136.800111.6
484P56.4Low50.7Low115 Ų115130.3 Ų130.375%0.74781%0.81SS**PPolyproline II helixtrans-68.1140.7173.2-20.533.7000112.3G482G482-P484 WeakPolarHBondContact O-CD 3.25Å
485G45.9Very low49.9Very low69 Ų69128.9 Ų128.971%0.71181%0.81SS**PPolyproline II helixtrans-63.8152.2176.200000113.9
486L46.4Very low49.5Very low176 Ų176123.8 Ų123.892%0.92181%0.807SS**PPolyproline II helixtrans-56.8125.1-171.6-70.3162.7000114.1
487P59.7Low49.2Very low120 Ų120130 Ų13078%0.77982%0.819SS**PPolyproline II helixtrans-68147.2165.9-19.233000112.5
488G47Very low49.5Very low63 Ų63127.6 Ų127.665%0.64981%0.814SS**PPolyproline II helixtrans-70.3158.2177.200000114
489P52Low48.9Very low131 Ų131126.1 Ų126.185%0.85182%0.819SS**PPolyproline II helixtrans-66.6136.2-173.625.8-33.9000112.9
490P47Very low48.9Very low129 Ų129129.4 Ų129.484%0.83883%0.825SS**PPolyproline II helixtrans-72.1148.7-179.4-18.432.2000114.4
491G44.1Very low49.1Very low77 Ų77125.5 Ų125.579%0.79482%0.818SS**PPolyproline II helixtrans-79.4144.8166.100000112.7
492E51Low49.1Very low207 Ų207119.5 Ų119.597%0.96781%0.811SS**PPolyproline II helixtrans-71.3146.6-177.5-57.5178.111100113.2
493G41.1Very low49.1Very low73 Ų73122.7 Ų122.775%0.75382%0.82SS**  trans-172.813.3-176.100000122.9
494K37.5Very low49.6Very low212 Ų212120.4 Ų120.492%0.92282%0.819SS**  trans55.3131162.5-67-176.9177177.90122.3
495A39Very low49.7Very low102 Ų102117.7 Ų117.784%0.84381%0.812SS**  trans76.177.6137.600000122.2
496G49.3Very low50.1Low79 Ų79120.1 Ų120.181%0.81482%0.816SS**  73.3116.3106.600000121.8
497E43.8Very low51Low192 Ų192117.8 Ų117.890%0.89781%0.811SS**  trans-128.6160.4157.2-83.6-159.4130.200112
498P54.4Low50.8Low123 Ų123115.6 Ų115.680%0.79981%0.81SS**PPolyproline II helixtrans-76.3156.1-160.2-18.634.3000116.6
499G50.3Low51.3Low81 Ų81119.2 Ų119.284%0.83582%0.819SS**PPolyproline II helixtrans-69.5142.8-176.100000115.2
500T52.3Low51.9Low143 Ų143118.7 Ų118.788%0.87782%0.816SS**PPolyproline II helixtrans-82.3149.2176.746.20000112.5
501A53.1Low52.6Low99 Ų99115.9 Ų115.982%0.81881%0.811SS**PPolyproline II helixtrans-65.7143-17800000112.7
502G57.4Low53.2Low65 Ų65117.5 Ų117.567%0.6781%0.81SS**PPolyproline II helixtrans-66144.5178.200000112.7
503P54.2Low54Low131 Ų131113.5 Ų113.585%0.85180%0.802SS**PPolyproline II helixtrans-69.3136.7-176.928-34.5000112.3
504T59.9Low55.1Low141 Ų141113.4 Ų113.487%0.86580%0.801SS**PPolyproline II helixtrans-58.9133173.6-49.10000111.1
505G57.9Low56.2Low58 Ų58111.6 Ų111.660%0.59880%0.799SS**PPolyproline II helixtrans-63.7149.4178.900000113.3
506P54.4Low57.5Low121 Ų121113 Ų11379%0.78680%0.798SS**PPolyproline II helixtrans-66.6148.8-179.127.7-34.8000112.1
507P65.3Low58.4Low126 Ų126111.8 Ų111.882%0.81879%0.785SS**PPolyproline II helixtrans-57.4141.9176.1-25.234.8000113.1
508G56Low59.4Low74 Ų74108.4 Ų108.476%0.76378%0.779SS**PPolyproline II helixtrans-62.5138.2178.600000112.8
509V57Low60.2Low140 Ų140108.5 Ų108.585%0.84878%0.78SS**PPolyproline II helixtrans-68.9131.7-179.1-160.80000110G511V509-G511 PolarHBondContact O-N 2.82Å
510P65.7Low61Low119 Ų119107.7 Ų107.777%0.77377%0.772SS**PPolyproline II helixtrans-58136.8174.3-25.635.1000112.1
511G60.6Low61.6Low71 Ų71106.6 Ų106.673%0.73277%0.767SS**PPolyproline II helixtrans-60.7139.817800000112.5V509V509-G511 PolarHBondContact O-N 2.82Å
512S56.5Low62.4Low111 Ų111108 Ų10878%0.77677%0.768SS**PPolyproline II helixtrans-55.9135.6176.752.20000111.7G514S512-G514 PolarHBondContact O-N 3.42Å
513P69Low62.8Low123 Ų123108 Ų10880%0.79977%0.768SS**PPolyproline II helixtrans-52.8137.2174-26.935.2000112.1I515P513-I515 PolarHBondContact O-N 3.45Å
514G63Low63.3Low71 Ų71107.5 Ų107.573%0.73277%0.765SS**PPolyproline II helixtrans-60136.6177.800000111.4S512 T516S512-G514 PolarHBondContact O-N 3.42Å; G514-T516 PolarHBondContact O-N 3.21Å
515I60.4Low63.8Low173 Ų173106.8 Ų106.889%0.88776%0.763SS**PPolyproline II helixtrans-64.9117.1-179-23.7175.1000108.8P513 G517P513-I515 PolarHBondContact O-N 3.45Å; I515-G517 PolarHBondContact O-N 2.94Å
516T67.3Low63.9Low133 Ų133107 Ų10782%0.81676%0.764SS**PPolyproline II helixtrans-59.3122.4174.2-48.10000109.1G514G514-T516 PolarHBondContact O-N 3.21Å
517G68.2Low64.3Low53 Ų53107 Ų10755%0.54677%0.765SS.*PPolyproline II helixtrans-57.2144.7178.100000111.4I515I515-G517 PolarHBondContact O-N 2.94Å
518P63.8Low64Low120 Ų120107 Ų10778%0.77977%0.765SS**PPolyproline II helixtrans-58.9144178.725.4-34000110.4G520P518-G520 PolarHBondContact O-N 2.84Å
519P72.1Confident63.8Low125 Ų125106.9 Ų106.981%0.81276%0.763SS**PPolyproline II helixtrans-52.3136.7173.4-25.734.5000110.9
520G67.8Low63.6Low64 Ų64104.6 Ų104.666%0.6676%0.759SS**PPolyproline II helixtrans-56.1142.7176.800000110.9P518P518-G520 PolarHBondContact O-N 2.84Å
521P63.6Low62.5Low121 Ų121105 Ų10579%0.78676%0.761SS**PPolyproline II helixtrans-58.4145.6-179.925-34000110.5G523P521-G523 PolarHBondContact O-N 2.9Å
522P71.2Confident61.5Low129 Ų129104 Ų10484%0.83875%0.752SS**PPolyproline II helixtrans-51.6137.4173.8-2634.6000111
523G65.5Low60.5Low65 Ų65103.1 Ų103.167%0.6775%0.751SS**PPolyproline II helixtrans-55.9145.2177.300000111.1P521P521-G523 PolarHBondContact O-N 2.9Å
524P65.3Low58.9Low120 Ų120106.9 Ų106.978%0.77976%0.755SS**PPolyproline II helixtrans-57.2144.1-179.824.7-34000110.4G526P524-G526 PolarHBondContact O-N 3.02Å
525P68.6Low57.7Low126 Ų126110.3 Ų110.382%0.81876%0.757SS**PPolyproline II helixtrans-50.7137.2172.9-26.434.7000110.8
526G60.9Low56.7Low61 Ų61111.7 Ų111.763%0.62976%0.759SS**PPolyproline II helixtrans-55.3147.517600000110.9P524P524-G526 PolarHBondContact O-N 3.02Å
527P61.8Low55.5Low123 Ų123111.9 Ų111.980%0.79976%0.76SS**PPolyproline II helixtrans-55.4140.8-179.524-33.8000110G529P527-G529 PolarHBondContact O-N 2.84Å
528P59.9Low53.8Low126 Ų126113.2 Ų113.282%0.81878%0.775SS**PPolyproline II helixtrans-50.2133.5174.6-27.234.9000110.5A530P528-A530 PolarHBondContact O-N 3.09Å
529G51.7Low52.4Low71 Ų71115.9 Ų115.973%0.73278%0.78SS**PPolyproline II helixtrans-53.5142.1172.700000109.9P527P527-G529 PolarHBondContact O-N 2.84Å
530A52.3Low50.5Low91 Ų91114.9 Ų114.975%0.75278%0.783SS**PPolyproline II helixtrans-50.5139.8-179.300000110.3P528 G532P528-A530 PolarHBondContact O-N 3.09Å; A530-G532 PolarHBondContact O-N 3.48Å; A530-G532 VanDerWaalsContact O-N 3.12Å
531P42.6Very low48.8Very low127 Ų127114.7 Ų114.783%0.82578%0.781SS**PPolyproline II helixtrans-50.7124.6176.5-2634.1000109.6A533P531-A533 PolarHBondContact O-N 3.29Å; P531-A533 VanDerWaalsContact O-N 3.13Å
532G39.5Very low47.1Very low52 Ų52117.8 Ų117.854%0.53679%0.79SS.*PPolyproline II helixtrans-55.7122.9172.600000108.2A530 F534A530-G532 PolarHBondContact O-N 3.48Å; A530-G532 VanDerWaalsContact O-N 3.12Å; G532-F534 VanDerWaalsContact C-N 3.33Å; G532-F534 VanDerWaalsContact O-CD2 3.28Å; G532-F534 WeakPolarHBondContact O-CD2 3.49Å; G532-F534 PolarHBondContact O-N 3.33Å
533A37Very low45.2Very low92 Ų92118.7 Ų118.776%0.7678%0.783SS**  trans-63.2101.9168.200000106.8P531 D535P531-A533 PolarHBondContact O-N 3.29Å; P531-A533 VanDerWaalsContact O-N 3.13Å; A533-D535 VanDerWaalsContact C-N 3.31Å; A533-D535 PolarHBondContact O-N 3.4Å
534F34.3Very low43.6Very low202 Ų202123.3 Ų123.389%0.88679%0.791SS**  trans-75.591.8170.4-75.4-82.7000107.4G532G532-F534 VanDerWaalsContact C-N 3.33Å; G532-F534 VanDerWaalsContact O-CD2 3.28Å; G532-F534 WeakPolarHBondContact O-CD2 3.49Å; G532-F534 PolarHBondContact O-N 3.33Å
535D38.8Very low42.5Very low143 Ų143122 Ų12277%0.76578%0.782SS**  trans-55.6143.7159.4-72.3-41.1000109A533 T537A533-D535 VanDerWaalsContact C-N 3.31Å; A533-D535 PolarHBondContact O-N 3.4Å; D535-T537 PolarHBondContact O-N 3.16Å
536E38.5Very low40.9Very low201 Ų201123.6 Ų123.694%0.93978%0.784SS**SBendtrans-7838.2-156.4-149.6179.7165.900114.7
537T43.3Very low39.8Very low137 Ų137124.3 Ų124.384%0.8479%0.792SS**  trans-158.2103.8177.717.40000112.1D535D535-T537 PolarHBondContact O-N 3.16Å
538G31.3Very low38.1Very low82 Ų82121.9 Ų121.985%0.84579%0.789SS**  trans163.546173.100000119.4
539I34.7Very low37.2Very low175 Ų175122.9 Ų122.990%0.89779%0.792SS**  trans-81.8137160.4-67.5-174.9000108.9G541I539-G541 VanDerWaalsContact C-N 3.26Å; I539-G541 PolarHBondContact O-N 2.75Å
540A32.4Very low36.8Very low104 Ų104125.8 Ų125.886%0.8679%0.787SS**  trans-6973.9-177.800000113.1
541G31.4Very low35.8Very low61 Ų61125 Ų12563%0.62979%0.787SS**  trans-80.3112.8163.500000110.5I539 H543I539-G541 VanDerWaalsContact C-N 3.26Å; I539-G541 PolarHBondContact O-N 2.75Å; G541-H543 VanDerWaalsContact C-N 3.31Å; G541-H543 PolarHBondContact O-N 3.23Å
542L28.9Very low35.3Very low186 Ų186123.5 Ų123.597%0.97479%0.786SS**  trans-70.891.3163.2-81.9172000108.8
543H30.5Very low35.1Very low148 Ų148126.4 Ų126.469%0.68579%0.793SS**  trans-109.5109.3175.8-172.1-83.4000110.5G541G541-H543 VanDerWaalsContact C-N 3.31Å; G541-H543 PolarHBondContact O-N 3.23Å
544L32.2Very low35Very low162 Ų162130.5 Ų130.585%0.84880%0.801SS**  trans-139154.5159-94.9116.2000109
545P42Very low35.2Very low91 Ų91123 Ų12359%0.59178%0.781SS**SBend-97.3131.1-123.632.7-36.3000114.2
546N34.1Very low35.3Very low161 Ų161126.9 Ų126.986%0.86179%0.791SS**SBend177.195.1120.5-86.4-18000111.4
547G38.6Very low35.7Very low76 Ų76121.5 Ų121.578%0.78479%0.789SS**  trans89.2114.1166.500000115.9
548G26.5Very low35.6Very low72 Ų72118 Ų11874%0.74278%0.78SS**  trans-88.4-146.3169.400000111.7
549V40.5Very low35.8Very low146 Ų146123.7 Ų123.789%0.88578%0.782SS**  cis-151-174.7-7.8-76.30000105.5
550E43.1Very low36Very low133 Ų133120.9 Ų120.962%0.62178%0.775SS**  cis-158.2177.414.6-159.6-143.1-94.400109.2A552 V553E550-A552 WeakPolarHBondContact OE2-CA 3.49Å; E550-A552 PolarHBondContact OE2-N 2.76Å; E550-V553 HydrophobicContact CG-CG2 4.49Å; E550-V553 WeakPolarHBondContact OE1-CG2 3.23Å; E550-V553 PolarHBondContact OE2-N 2.96Å
551G32.6Very low36.2Very low73 Ų73125 Ų12575%0.75378%0.777SS**SBendtrans-149103.9160.200000112.1
552A31Very low36.4Very low97 Ų97131.8 Ų131.880%0.80279%0.789SS**  trans51.280.7169.900000118.1E550 L554E550-A552 WeakPolarHBondContact OE2-CA 3.49Å; E550-A552 PolarHBondContact OE2-N 2.76Å; A552-L554 PolarHBondContact O-N 2.81Å
553V36.2Very low36.9Very low112 Ų112126.4 Ų126.468%0.67978%0.778SS**  trans-67.3121.21571750000111.5E550 G555E550-V553 HydrophobicContact CG-CG2 4.49Å; E550-V553 WeakPolarHBondContact OE1-CG2 3.23Å; E550-V553 PolarHBondContact OE2-N 2.96Å; V553-G555 PolarHBondContact O-N 2.99Å
554L33.3Very low37.4Very low178 Ų178128.4 Ų128.493%0.93279%0.793SS**  trans-74.176.4164.5-95.4167.7000110.6A552A552-L554 PolarHBondContact O-N 2.81Å
555G38.8Very low37.6Very low46 Ų46123.9 Ų123.947%0.47479%0.785SS.*  trans-66.4133.417000000111V553 G557V553-G555 PolarHBondContact O-N 2.99Å; G555-G557 PolarHBondContact O-N 3.44Å
556K42.3Very low37.4Very low223 Ų223129 Ų12997%0.9780%0.802SS**THydrogen-bonded Turntrans-57.7102.3173.9-77.3-174.3174.9179.50110.7
557G45.8Very low37.4Very low88 Ų88129.1 Ų129.191%0.90780%0.801SS**THydrogen-bonded Turntrans91.613.4163.700000118.2G555G555-G557 PolarHBondContact O-N 3.44Å
558G41.7Very low37.5Very low63 Ų63130.3 Ų130.365%0.64980%0.798SS**  trans-107.2143.9177.800000113.9
559K36.2Very low38.4Very low203 Ų203130.9 Ų130.988%0.88380%0.795SS**  trans-69.7142.9176.6-69.3-179.6-179.9177.40111.4
560P38.2Very low38.9Very low115 Ų115131.8 Ų131.875%0.74779%0.79SS**  trans-70.9138.8177.729.8-34.8000111.5
561Q36.7Very low39.9Very low192 Ų192127.2 Ų127.290%0.89777%0.774SS**  trans-124.8116.1-179.2-166.4164.1-5.900108.8
562F35.9Very low42.2Very low203 Ų203127.9 Ų127.989%0.8976%0.764SS**  trans-83.4126.8-177.1-72.4-92.2000110.8
563G38.9Very low45Very low72 Ų72123.6 Ų123.674%0.74273%0.728SS**  trans-117.7148.7171.900000111.4G565G563-G565 PolarHBondContact O-N 2.8Å
564L41.7Very low47.8Very low190 Ų190119 Ų119100%0.99570%0.701SS**  trans-82.2107.5176.3-134.287.4000109.4
565G36.1Very low50.8Low67 Ų67110.6 Ų110.669%0.69166%0.658SS**  trans-91.7132.1168.600000110.7G563 L567G563-G565 PolarHBondContact O-N 2.8Å; G565-L567 PolarHBondContact O-N 3.44Å
566E36.5Very low53.7Low199 Ų199109.7 Ų109.793%0.9364%0.643SS**  trans-73.8120.6176.2-166.1168-161.400109.8S568E566-S568 PolarHBondContact O-N 2.88Å
567L34.3Very low56.3Low163 Ų16399.1 Ų99.185%0.85360%0.597SS**  trans-66.199.8179.3-80.7159.7000109.8G565 A569G565-L567 PolarHBondContact O-N 3.44Å; L567-A569 PolarHBondContact O-N 2.83Å
568S41.6Very low58.8Low102 Ų10295.1 Ų95.171%0.71356%0.555SS**  trans-69.576.9165.5-170.80000109.8E566 H570E566-S568 PolarHBondContact O-N 2.88Å; S568-H570 PolarHBondContact O-N 3.11Å
569A44.9Very low61.4Low83 Ų8392.2 Ų92.269%0.68652%0.524SS*.  trans-71.683.7169.700000108.6L567 A571L567-A569 PolarHBondContact O-N 2.83Å; A569-A571 VanDerWaalsContact C-N 3.26Å; A569-A571 PolarHBondContact O-N 2.89Å
570H51.9Low64.2Low166 Ų16684.8 Ų84.877%0.76950%0.496SS*.  trans-55.499.2156.3-95.6-82.6000107.1S568 T572S568-H570 PolarHBondContact O-N 3.11Å; H570-T572 PolarHBondContact O-N 2.91Å
571A62.4Low66.9Low36 Ų3682 Ų8230%0.29848%0.48SS..  trans-58.9105.5-158.700000111.5A569 H600A569-A571 VanDerWaalsContact C-N 3.26Å; A569-A571 PolarHBondContact O-N 2.89Å; A571-H600 PolarHBondContact O-CE1 3.48Å; A571-H600 PolarHBondContact O-ND1 3.16Å
572T81.6Confident69.7Low87 Ų8775.7 Ų75.753%0.53446%0.455SS..  trans-57.3141.6-179.443.20000110.7H570 A574H570-T572 PolarHBondContact O-N 2.91Å; T572-A574 PolarHBondContact O-N 3.13Å
573P90.3Very high72.6Confident8 Ų871 Ų715%0.05243%0.434CS..SBendtrans-55.4109.6179.2-29.536.9000112H600 P613 V614 Y618 F696 L697P573-H600 HydrophobicContact CG-CB 4.38Å; P573-P613 HydrophobicContact CB-CG 3.69Å; P573-P613 HydrophobicContact CG-CG 3.83Å; P573-V614 HydrophobicContact CG-CB 4.28Å; P573-V614 HydrophobicContact CG-CG2 4.02Å; P573-Y618 HydrophobicContact CB-CE1 4.05Å; P573-F696 WeakPolarHBondContact O-CA 3.46Å; P573-L697 HydrophobicContact CG-CD2 4.46Å; P573-L697 PolarHBondContact O-N 3.42Å
574A94.8Very high75.3Confident14 Ų1468.5 Ų68.512%0.11641%0.405CS..EExtended strand (participates in β ladder)trans-158.7147.4-176.500000111.1T572 Y597 N598 G599 G695 F696T572-A574 PolarHBondContact O-N 3.13Å; A574-Y597 HydrophobicContact CB-CD1 4.42Å; A574-Y597 HydrophobicContact CB-CE1 3.93Å; A574-Y597 VanDerWaalsContact O-CD1 3.28Å; A574-Y597 WeakPolarHBondContact O-CD1 3.49Å; A574-Y597 WeakPolarHBondContact O-CE1 3.31Å; A574-N598 CarbonylContact O-C 3.55Å; A574-N598 WeakPolarHBondContact O-CA 3.46Å; A574-G599 PolarHBondContact O-N 2.83Å; A574-G695 CarbonylContact C-O 3.49Å; A574-G695 WeakPolarHBondContact CA-O 3.2Å; A574-F696 HydrophobicContact CB-CB 3.51Å
575F97.3Very high77.8Confident3 Ų362.7 Ų62.71%0.01339%0.385CS..EExtended strand (participates in β ladder)trans-144.8160.4176.774.8-78.6000111.7Y597 N598 Y603 F610 F620 F693 S694 G695F575-Y597 CarbonylContact C-O 3.46Å; F575-Y597 WeakPolarHBondContact CA-O 3.12Å; F575-Y597 WeakPolarHBondContact CB-O 3.39Å; F575-N598 HydrophobicContact CB-CB 4.39Å; F575-Y603 HydrophobicContact CB-CG 4.5Å; F575-Y603 HydrophobicContact CD2-CD1 4.11Å; F575-Y603 AromaticContact CD2-CD2 3.74Å; F575-Y603 HydrophobicContact CD2-CD2 3.74Å; F575-Y603 AromaticContact CD2-CG 3.51Å; F575-Y603 HydrophobicContact CD2-CG 3.51Å; F575-Y603 AromaticContact CE2-CD2 3.57Å; F575-Y603 HydrophobicContact CE2-CD2 3.57Å; F575-Y603 HydrophobicContact CE2-CE2 4.13Å; F575-Y603 AromaticContact CE2-CG 3.88Å; F575-Y603 HydrophobicContact CE2-CG 3.88Å; F575-Y603 VanDerWaalsContact CG-CB 3.48Å; F575-Y603 HydrophobicContact CG-CD2 4.44Å; F575-Y603 HydrophobicContact CG-CG 4.01Å; F575-Y603 HydrophobicContact CZ-CD2 4.15Å; F575-F610 AromaticContact CD1-CD2 3.37Å; F575-F610 HydrophobicContact CD1-CD2 3.37Å; F575-F610 AromaticContact CD1-CE2 3.79Å; F575-F610 HydrophobicContact CD1-CE2 3.79Å; F575-F610 HydrophobicContact CD1-CG 4.18Å; F575-F610 HydrophobicContact CE1-CB 3.86Å; F575-F610 AromaticContact CE1-CD2 3.36Å; F575-F610 HydrophobicContact CE1-CD2 3.36Å; F575-F610 HydrophobicContact CE1-CE2 4.03Å; F575-F610 AromaticContact CE1-CG 3.69Å; F575-F610 HydrophobicContact CE1-CG 3.69Å; F575-F610 HydrophobicContact CG-CD2 4.35Å; F575-F610 HydrophobicContact CZ-CB 4.08Å; F575-F610 HydrophobicContact CZ-CD2 4.34Å; F575-F610 HydrophobicContact CZ-CG 4.41Å; F575-F620 HydrophobicContact CE1-CD1 4.2Å; F575-F620 AromaticContact CE1-CE1 3.82Å; F575-F620 HydrophobicContact CE1-CE1 3.82Å; F575-F620 HydrophobicContact CZ-CD1 4.24Å; F575-F620 HydrophobicContact CZ-CE1 4.18Å; F575-F693 AromaticContact CE2-CD1 3.67Å; F575-F693 HydrophobicContact CE2-CD1 3.67Å; F575-F693 AromaticContact CE2-CE1 3.85Å; F575-F693 HydrophobicContact CE2-CE1 3.85Å; F575-F693 HydrophobicContact CE2-CG 4.08Å; F575-F693 HydrophobicContact CE2-CZ 4.39Å; F575-F693 AromaticContact CZ-CD1 3.88Å; F575-F693 HydrophobicContact CZ-CD1 3.88Å; F575-F693 HydrophobicContact CZ-CD2 4.45Å; F575-F693 AromaticContact CZ-CE1 3.58Å; F575-F693 HydrophobicContact CZ-CE1 3.58Å; F575-F693 HydrophobicContact CZ-CE2 4.19Å; F575-F693 HydrophobicContact CZ-CG 4.3Å; F575-F693 AromaticContact CZ-CZ 3.75Å; F575-F693 HydrophobicContact CZ-CZ 3.75Å; F575-S694 VanDerWaalsContact O-CA 3.3Å; F575-S694 WeakPolarHBondContact O-CA 3.39Å; F575-G695 WeakPolarHBondContact CD1-O 3.28Å; F575-G695 PolarHBondContact N-O 3.4Å; F575-G695 PolarHBondContact O-N 3.36Å; F575-G695 VanDerWaalsContact O-N 3.09Å
576T97.8Very high80.6Confident27 Ų2761.3 Ų61.317%0.16636%0.364CS..EExtended strand (participates in β ladder)trans-147.2125.1166-70.40000107.4L596 Y597 S694T576-L596 HydrophobicContact CG2-CB 4.28Å; T576-L596 HydrophobicContact CG2-CD1 4.11Å; T576-L596 HydrophobicContact CG2-CG 4.48Å; T576-L596 WeakPolarHBondContact O-CA 3.15Å; T576-L596 PolarHBondContact O-N 2.8Å; T576-Y597 PolarHBondContact N-O 2.93Å; T576-Y597 PolarHBondContact O-N 2.98Å; T576-Y597 VanDerWaalsContact O-N 3.08Å; T576-S694 WeakPolarHBondContact CB-OG 3.38Å; T576-S694 WeakPolarHBondContact CG2-OG 3.48Å; T576-S694 WeakPolarHBondContact OG1-CB 3.34Å; T576-S694 PolarHBondContact OG1-OG 3.48Å
577A97.6Very high83.4Confident0 Ų053.9 Ų53.90%034%0.341CS..EExtended strand (participates in β ladder)trans-130.1150.1176.900000110.3F592 R594 Y603 S692 F693A577-F592 HydrophobicContact CB-CB 3.61Å; A577-R594 WeakPolarHBondContact CA-O 3.27Å; A577-Y603 HydrophobicContact CB-CD1 4.02Å; A577-Y603 HydrophobicContact CB-CE1 3.47Å; A577-Y603 VanDerWaalsContact CB-CE1 3.47Å; A577-S692 CarbonylContact O-C 3.53Å; A577-S692 VanDerWaalsContact O-CA 3.32Å; A577-S692 WeakPolarHBondContact O-CA 3.5Å; A577-F693 PolarHBondContact N-O 2.92Å; A577-F693 PolarHBondContact O-N 3.05Å
578V97.9Very high86.3Confident5 Ų551.8 Ų51.83%0.0333%0.328CS..EExtended strand (participates in β ladder)trans-119146.3175.6-57.90000110.1F592 D593 R594 L596 H690 S691V578-F592 CarbonylContact O-C 3.58Å; V578-D593 PolarHBondContact O-N 2.88Å; V578-R594 HydrophobicContact CG2-CB 3.79Å; V578-R594 HydrophobicContact CG2-CG 4.01Å; V578-R594 PolarHBondContact N-O 3.36Å; V578-R594 PolarHBondContact O-N 3.23Å; V578-L596 HydrophobicContact CG1-CD1 3.76Å; V578-L596 HydrophobicContact CG1-CG 4.17Å; V578-L596 HydrophobicContact CG2-CD2 4.31Å; V578-L596 HydrophobicContact CG2-CG 4.5Å; V578-H690 HydrophobicContact CB-CB 4.39Å; V578-H690 HydrophobicContact CG1-CB 4.26Å; V578-S691 WeakPolarHBondContact CA-O 3.05Å
579L97.6Very high89Confident2 Ų248.2 Ų48.21%0.0130%0.303CS..  trans-85.1129.2173.9179.167.5000108.6S581 P584 V590 K591 F592 L683 S685 S691L579-S581 VanDerWaalsContact CD2-O 3.24Å; L579-S581 WeakPolarHBondContact CD2-O 3.46Å; L579-S581 WeakPolarHBondContact CG-O 3.21Å; L579-P584 HydrophobicContact CD2-CB 4.45Å; L579-P584 HydrophobicContact CD2-CG 3.84Å; L579-V590 HydrophobicContact CD1-CG1 4.44Å; L579-V590 HydrophobicContact CD2-CG1 4.16Å; L579-K591 WeakPolarHBondContact CD1-O 3.4Å; L579-F592 HydrophobicContact CB-CD1 3.76Å; L579-F592 HydrophobicContact CB-CE1 4.19Å; L579-F592 HydrophobicContact CB-CG 4.4Å; L579-L683 HydrophobicContact CD2-CD2 3.41Å; L579-L683 VanDerWaalsContact CD2-CD2 3.41Å; L579-S685 VanDerWaalsContact O-CB 3.26Å; L579-S685 WeakPolarHBondContact O-CB 3.43Å; L579-S685 PolarHBondContact O-OG 3.47Å; L579-S691 PolarHBondContact N-O 2.79Å
580T94.7Very high91.5Very high47 Ų4744.3 Ų44.329%0.28827%0.271SS..  trans-95.2-20.5178.6670000113.3D593 R594T580-D593 WeakPolarHBondContact CB-OD2 3.49Å; T580-D593 WeakPolarHBondContact CG2-OD2 3.34Å; T580-D593 PolarHBondContact N-OD1 2.96Å; T580-D593 VanDerWaalsContact OG1-CG 3.24Å; T580-D593 PolarHBondContact OG1-OD1 3.25Å; T580-D593 PolarHBondContact OG1-OD2 2.57Å; T580-R594 HydrophobicContact CG2-CB 3.6Å
581S93.6Very high93.7Very high57 Ų5741.9 Ų41.940%0.39926%0.258SS..SBendtrans-105.2139.3-176.251.50000112.7L579 S685L579-S581 VanDerWaalsContact CD2-O 3.24Å; L579-S581 WeakPolarHBondContact CD2-O 3.46Å; L579-S581 WeakPolarHBondContact CG-O 3.21Å; S581-S685 CarbonylContact C-O 3.47Å
582P96.1Very high95.3Very high58 Ų5840.2 Ų40.238%0.37724%0.244SC..SBendtrans-78.8154.8174.832.7-34.7000111.1Y684 S685P582-Y684 HydrophobicContact CB-CD2 3.62Å; P582-Y684 HydrophobicContact CB-CE2 3.74Å; P582-S685 WeakPolarHBondContact CA-O 3.08Å; P582-S685 WeakPolarHBondContact CB-O 3.49Å; P582-S685 WeakPolarHBondContact CD-O 3.42Å; P582-S685 VanDerWaalsContact N-O 3.12Å
583F96.4Very high96Very high105 Ų10539.1 Ų39.146%0.46124%0.235SC..SBendtrans56.260172-45.5-58.4000113.9K627 L683 Y684F583-K627 WeakPolarHBondContact CE1-O 3.48Å; F583-L683 WeakPolarHBondContact CA-O 3.42Å; F583-L683 PolarHBondContact N-O 2.82Å; F583-Y684 HydrophobicContact CE1-CD2 4.09Å; F583-Y684 HydrophobicContact CE2-CD2 4.15Å; F583-Y684 HydrophobicContact CE2-CE2 4.38Å; F583-Y684 AromaticContact CZ-CD2 3.69Å; F583-Y684 HydrophobicContact CZ-CD2 3.69Å; F583-Y684 HydrophobicContact CZ-CE2 4.22Å
584P96.1Very high96.2Very high19 Ų1943.8 Ų43.812%0.12325%0.251CS..PPolyproline II helixtrans-6215917428.3-33000111.1L579 S586 V590 M675 L683L579-P584 HydrophobicContact CD2-CB 4.45Å; L579-P584 HydrophobicContact CD2-CG 3.84Å; P584-S586 PolarHBondContact O-N 2.68Å; P584-V590 HydrophobicContact CB-CG1 4.19Å; P584-V590 HydrophobicContact CG-CG1 3.93Å; P584-V590 HydrophobicContact CG-CG2 4.17Å; P584-M675 HydrophobicContact CG-CE 3.81Å; P584-M675 WeakPolarHBondContact O-CE 3.49Å; P584-L683 WeakPolarHBondContact CD-O 3.18Å; P584-L683 HydrophobicContact CG-CB 4.38Å; P584-L683 HydrophobicContact CG-CD1 4.2Å; P584-L683 HydrophobicContact CG-CD2 4.11Å; P584-L683 HydrophobicContact CG-CG 4.46Å
585A94.9Very high96.3Very high69 Ų6945.6 Ų45.657%0.5726%0.261SS*.PPolyproline II helixtrans-63.4135-178.700000112.2
586S95.1Very high96.1Very high38 Ų3850.6 Ų50.627%0.26629%0.287SS..THydrogen-bonded Turntrans-74.4161.2168.251.10000111.5P584 M588 S677 D678P584-S586 PolarHBondContact O-N 2.68Å; S586-M588 PolarHBondContact O-N 3.01Å; S586-S677 WeakPolarHBondContact CB-O 3.3Å; S586-D678 WeakPolarHBondContact OG-CA 3.31Å
587G93.9Very high96Very high43 Ų4354.6 Ų54.644%0.44330%0.3SS..THydrogen-bonded Turntrans75.1-2.618000000115.3Q674 M675G587-Q674 PolarHBondContact O-NE2 2.8Å; G587-Q674 VanDerWaalsContact O-NE2 3.11Å; G587-M675 PolarHBondContact N-O 3.46Å
588M95.8Very high95.8Very high118 Ų11856.5 Ų56.558%0.58131%0.31SS*.SBendtrans-130160.4-180-62.6-63.5-69.100110.8S586 V590 Q674S586-M588 PolarHBondContact O-N 3.01Å; M588-V590 PolarHBondContact O-N 3.24Å; M588-Q674 WeakPolarHBondContact O-CB 3.35Å; M588-Q674 WeakPolarHBondContact O-CG 3.41Å
589P97.9Very high95.3Very high28 Ų2856.6 Ų56.618%0.18231%0.313CS..BIsolated β-bridgetrans-56.6133.2169.9-24.133.6000112.4K591 T607 I609 W672P589-K591 PolarHBondContact O-N 3.3Å; P589-T607 WeakPolarHBondContact CB-O 3.42Å; P589-I609 HydrophobicContact CB-CG1 4.18Å; P589-I609 HydrophobicContact CG-CD1 4.23Å; P589-I609 HydrophobicContact CG-CG1 4.19Å; P589-W672 HydrophobicContact CB-CB 4.2Å; P589-W672 HydrophobicContact CB-CG 3.99Å; P589-W672 HydrophobicContact CG-CD2 4.48Å; P589-W672 HydrophobicContact CG-CG 4.1Å
590V97.9Very high94.6Very high1 Ų161.8 Ų61.81%0.00634%0.337CS..  trans-73.8120.8175.6176.30000108.9L579 P584 M588 F592 G608 V673 L683L579-V590 HydrophobicContact CD1-CG1 4.44Å; L579-V590 HydrophobicContact CD2-CG1 4.16Å; P584-V590 HydrophobicContact CB-CG1 4.19Å; P584-V590 HydrophobicContact CG-CG1 3.93Å; P584-V590 HydrophobicContact CG-CG2 4.17Å; M588-V590 PolarHBondContact O-N 3.24Å; V590-F592 HydrophobicContact CB-CD2 4.41Å; V590-F592 HydrophobicContact CB-CE2 3.78Å; V590-F592 HydrophobicContact CB-CZ 4.35Å; V590-F592 HydrophobicContact CG1-CD2 4Å; V590-F592 HydrophobicContact CG1-CE1 4.45Å; V590-F592 HydrophobicContact CG1-CE2 3.51Å; V590-F592 HydrophobicContact CG1-CZ 3.77Å; V590-F592 WeakPolarHBondContact O-CD2 3.45Å; V590-F592 PolarHBondContact O-N 3.28Å; V590-G608 WeakPolarHBondContact O-CA 3.49Å; V590-V673 PolarHBondContact N-O 2.79Å; V590-L683 HydrophobicContact CG1-CD1 4.3Å; V590-L683 HydrophobicContact CG2-CD1 4.15Å
591K97.4Very high94.2Very high115 Ų11564.2 Ų64.250%0.536%0.355SS..  trans-86.688.3-177.9-57.6-175.3-179.6-157.20110.4L579 P589 D593 A606L579-K591 WeakPolarHBondContact CD1-O 3.4Å; P589-K591 PolarHBondContact O-N 3.3Å; K591-D593 VanDerWaalsContact C-N 3.32Å; K591-D593 PolarHBondContact O-N 2.73Å; K591-A606 WeakPolarHBondContact CD-O 3.31Å; K591-A606 VanDerWaalsContact CE-O 3.25Å; K591-A606 WeakPolarHBondContact CE-O 3.34Å; K591-A606 PolarHBondContact NZ-O 2.86Å
592F97.4Very high94.1Very high0 Ų061.9 Ų61.90%034%0.34CS..  trans-69.896167.4-56.5-101.7000107.2A577 V578 L579 V590 Y603 V673 S692 F693A577-F592 HydrophobicContact CB-CB 3.61Å; V578-F592 CarbonylContact O-C 3.58Å; L579-F592 HydrophobicContact CB-CD1 3.76Å; L579-F592 HydrophobicContact CB-CE1 4.19Å; L579-F592 HydrophobicContact CB-CG 4.4Å; V590-F592 HydrophobicContact CB-CD2 4.41Å; V590-F592 HydrophobicContact CB-CE2 3.78Å; V590-F592 HydrophobicContact CB-CZ 4.35Å; V590-F592 HydrophobicContact CG1-CD2 4Å; V590-F592 HydrophobicContact CG1-CE1 4.45Å; V590-F592 HydrophobicContact CG1-CE2 3.51Å; V590-F592 HydrophobicContact CG1-CZ 3.77Å; V590-F592 WeakPolarHBondContact O-CD2 3.45Å; V590-F592 PolarHBondContact O-N 3.28Å; F592-Y603 WeakPolarHBondContact CA-OH 3.46Å; F592-Y603 WeakPolarHBondContact CB-OH 3.01Å; F592-Y603 PolarHBondContact N-OH 2.7Å; F592-Y603 VanDerWaalsContact N-OH 3.14Å; F592-Y603 WeakPolarHBondContact O-CE1 3.45Å; F592-Y603 PolarHBondContact O-OH 2.94Å; F592-V673 HydrophobicContact CE2-CB 4.03Å; F592-V673 HydrophobicContact CE2-CG1 4.41Å; F592-V673 HydrophobicContact CZ-CB 4.45Å; F592-V673 HydrophobicContact CZ-CG1 4.41Å; F592-S692 VanDerWaalsContact CE1-C 3.47Å; F592-F693 HydrophobicContact CD1-CB 3.95Å; F592-F693 HydrophobicContact CD2-CB 3.65Å; F592-F693 HydrophobicContact CD2-CD1 4.13Å; F592-F693 HydrophobicContact CD2-CG 4.33Å; F592-F693 HydrophobicContact CE1-CB 3.87Å; F592-F693 HydrophobicContact CE2-CB 3.57Å; F592-F693 HydrophobicContact CE2-CD1 4.22Å; F592-F693 HydrophobicContact CE2-CG 4.19Å; F592-F693 HydrophobicContact CG-CB 3.87Å; F592-F693 HydrophobicContact CZ-CB 3.69Å
593D95.2Very high94.2Very high64 Ų6459.3 Ų59.334%0.34232%0.323SS..  trans-82.8-32.9-16259-68.9000113V578 T580 K591 T595 P605V578-D593 PolarHBondContact O-N 2.88Å; T580-D593 WeakPolarHBondContact CB-OD2 3.49Å; T580-D593 WeakPolarHBondContact CG2-OD2 3.34Å; T580-D593 PolarHBondContact N-OD1 2.96Å; T580-D593 VanDerWaalsContact OG1-CG 3.24Å; T580-D593 PolarHBondContact OG1-OD1 3.25Å; T580-D593 PolarHBondContact OG1-OD2 2.57Å; K591-D593 VanDerWaalsContact C-N 3.32Å; K591-D593 PolarHBondContact O-N 2.73Å; D593-T595 PolarHBondContact O-N 3.14Å; D593-P605 WeakPolarHBondContact O-CB 3.45Å
594R95.6Very high94.2Very high107 Ų10757.8 Ų57.840%0.40432%0.32SS..EExtended strand (participates in β ladder)trans-91.799.8176.9-179.2-177.9-80179.7-1.6109.4A577 V578 T580 L596 E687A577-R594 WeakPolarHBondContact CA-O 3.27Å; V578-R594 HydrophobicContact CG2-CB 3.79Å; V578-R594 HydrophobicContact CG2-CG 4.01Å; V578-R594 PolarHBondContact N-O 3.36Å; V578-R594 PolarHBondContact O-N 3.23Å; T580-R594 HydrophobicContact CG2-CB 3.6Å; R594-L596 HydrophobicContact CG-CD2 4.37Å; R594-E687 IonicContact CZ-OE1 3.7Å; R594-E687 IonicContact NH1-OE1 2.84Å; R594-E687 IonicContact NH2-OE1 3.93Å; R594-E687 PolarHBondContact NH2-OE1 3.13Å; R594-E687 VanDerWaalsContact NH2-OE1 3.16Å
595T95Very high94.2Very high52 Ų5259 Ų5932%0.31933%0.327SS..EExtended strand (participates in β ladder)trans-71.4128.4172.2-63.10000110.4D593 Y597 N598D593-T595 PolarHBondContact O-N 3.14Å; T595-Y597 WeakPolarHBondContact CG2-O 3.35Å; T595-N598 HydrophobicContact CG2-CB 3.56Å
596L94.6Very high94.3Very high108 Ų10858.8 Ų58.857%0.56533%0.326SS*.EExtended strand (participates in β ladder)trans-95.5-36.4172-56.2-173.5000111.7T576 V578 R594T576-L596 HydrophobicContact CG2-CB 4.28Å; T576-L596 HydrophobicContact CG2-CD1 4.11Å; T576-L596 HydrophobicContact CG2-CG 4.48Å; T576-L596 WeakPolarHBondContact O-CA 3.15Å; T576-L596 PolarHBondContact O-N 2.8Å; V578-L596 HydrophobicContact CG1-CD1 3.76Å; V578-L596 HydrophobicContact CG1-CG 4.17Å; V578-L596 HydrophobicContact CG2-CD2 4.31Å; V578-L596 HydrophobicContact CG2-CG 4.5Å; R594-L596 HydrophobicContact CG-CD2 4.37Å
597Y94.7Very high94.3Very high111 Ų11159.5 Ų59.544%0.43533%0.329SS..EExtended strand (participates in β ladder)trans-149.1145.4174.8-177.1-96.9000109.7A574 F575 T576 T595 G599A574-Y597 HydrophobicContact CB-CD1 4.42Å; A574-Y597 HydrophobicContact CB-CE1 3.93Å; A574-Y597 VanDerWaalsContact O-CD1 3.28Å; A574-Y597 WeakPolarHBondContact O-CD1 3.49Å; A574-Y597 WeakPolarHBondContact O-CE1 3.31Å; F575-Y597 CarbonylContact C-O 3.46Å; F575-Y597 WeakPolarHBondContact CA-O 3.12Å; F575-Y597 WeakPolarHBondContact CB-O 3.39Å; T576-Y597 PolarHBondContact N-O 2.93Å; T576-Y597 PolarHBondContact O-N 2.98Å; T576-Y597 VanDerWaalsContact O-N 3.08Å; T595-Y597 WeakPolarHBondContact CG2-O 3.35Å; Y597-G599 VanDerWaalsContact CE1-N 3.28Å
598N93.3Very high94.5Very high39 Ų3957.5 Ų57.521%0.20931%0.308CS..EExtended strand (participates in β ladder)trans-158.565.9178.6-168.114.5000110.9A574 F575 T595 H600 S601 G602 Y603A574-N598 CarbonylContact O-C 3.55Å; A574-N598 WeakPolarHBondContact O-CA 3.46Å; F575-N598 HydrophobicContact CB-CB 4.39Å; T595-N598 HydrophobicContact CG2-CB 3.56Å; N598-H600 PolarHBondContact O-N 2.61Å; N598-S601 PolarHBondContact O-N 2.81Å; N598-S601 VanDerWaalsContact O-N 3.08Å; N598-S601 WeakPolarHBondContact OD1-CA 3.49Å; N598-G602 PolarHBondContact OD1-N 3.22Å; N598-Y603 PolarHBondContact ND2-O 2.84Å; N598-Y603 PolarHBondContact OD1-N 3.48Å
599G87.3Confident94.6Very high8 Ų853.2 Ų53.28%0.08229%0.287CS..EExtended strand (participates in β ladder)trans-58.6133.2173.100000111.1A574 Y597 S601A574-G599 PolarHBondContact O-N 2.83Å; Y597-G599 VanDerWaalsContact CE1-N 3.28Å; G599-S601 PolarHBondContact O-N 3.13Å
600H83.6Confident94.6Very high111 Ų11152 Ų5251%0.51428%0.279SS..THydrogen-bonded Turntrans59.613.2-171.4-79.263.3000115.8A571 P573 N598 G602 P613A571-H600 PolarHBondContact O-CE1 3.48Å; A571-H600 PolarHBondContact O-ND1 3.16Å; P573-H600 HydrophobicContact CG-CB 4.38Å; N598-H600 PolarHBondContact O-N 2.61Å; H600-G602 PolarHBondContact O-N 3.18Å; H600-P613 HydrophobicContact CB-CG 4.37Å
601S86.8Confident94.6Very high98 Ų9854.1 Ų54.169%0.68529%0.292SS*.THydrogen-bonded Turntrans5426.3174.6-58.40000115.2N598 G599 Y603N598-S601 PolarHBondContact O-N 2.81Å; N598-S601 VanDerWaalsContact O-N 3.08Å; N598-S601 WeakPolarHBondContact OD1-CA 3.49Å; G599-S601 PolarHBondContact O-N 3.13Å; S601-Y603 VanDerWaalsContact C-N 3.29Å; S601-Y603 PolarHBondContact O-N 2.84Å
602G91.3Very high94.5Very high8 Ų848.7 Ų48.78%0.08227%0.269CS..  trans-68-26.2-176.200000113.7N598 H600 F610 T611N598-G602 PolarHBondContact OD1-N 3.22Å; H600-G602 PolarHBondContact O-N 3.18Å; G602-F610 CarbonylContact O-C 3.45Å; G602-F610 WeakPolarHBondContact O-CA 3.45Å; G602-T611 PolarHBondContact O-N 2.84Å
603Y97.6Very high94.3Very high4 Ų451.3 Ų51.32%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-93.2133.8176.3178.2-101000112.3F575 A577 F592 N598 S601 P605 F610 F693F575-Y603 HydrophobicContact CB-CG 4.5Å; F575-Y603 HydrophobicContact CD2-CD1 4.11Å; F575-Y603 AromaticContact CD2-CD2 3.74Å; F575-Y603 HydrophobicContact CD2-CD2 3.74Å; F575-Y603 AromaticContact CD2-CG 3.51Å; F575-Y603 HydrophobicContact CD2-CG 3.51Å; F575-Y603 AromaticContact CE2-CD2 3.57Å; F575-Y603 HydrophobicContact CE2-CD2 3.57Å; F575-Y603 HydrophobicContact CE2-CE2 4.13Å; F575-Y603 AromaticContact CE2-CG 3.88Å; F575-Y603 HydrophobicContact CE2-CG 3.88Å; F575-Y603 VanDerWaalsContact CG-CB 3.48Å; F575-Y603 HydrophobicContact CG-CD2 4.44Å; F575-Y603 HydrophobicContact CG-CG 4.01Å; F575-Y603 HydrophobicContact CZ-CD2 4.15Å; A577-Y603 HydrophobicContact CB-CD1 4.02Å; A577-Y603 HydrophobicContact CB-CE1 3.47Å; A577-Y603 VanDerWaalsContact CB-CE1 3.47Å; F592-Y603 WeakPolarHBondContact CA-OH 3.46Å; F592-Y603 WeakPolarHBondContact CB-OH 3.01Å; F592-Y603 PolarHBondContact N-OH 2.7Å; F592-Y603 VanDerWaalsContact N-OH 3.14Å; F592-Y603 WeakPolarHBondContact O-CE1 3.45Å; F592-Y603 PolarHBondContact O-OH 2.94Å; N598-Y603 PolarHBondContact ND2-O 2.84Å; N598-Y603 PolarHBondContact OD1-N 3.48Å; S601-Y603 VanDerWaalsContact C-N 3.29Å; S601-Y603 PolarHBondContact O-N 2.84Å; Y603-P605 HydrophobicContact CE1-CB 3.95Å; Y603-F610 HydrophobicContact CD2-CB 4.32Å; Y603-F693 HydrophobicContact CE2-CD1 4.18Å; Y603-F693 HydrophobicContact CE2-CE1 4.4Å
604N97.3Very high94.2Very high73 Ų7351 Ų5139%0.3929%0.286SS..EExtended strand (participates in β ladder)trans-109.3107.2176.3-176.6-19.7000111.1A606 T607 G608 I609N604-A606 VanDerWaalsContact C-N 3.26Å; N604-A606 PolarHBondContact O-N 2.85Å; N604-A606 WeakPolarHBondContact OD1-CB 3.43Å; N604-A606 PolarHBondContact OD1-N 3.35Å; N604-T607 WeakPolarHBondContact CB-OG1 3.41Å; N604-T607 PolarHBondContact O-N 3.44Å; N604-T607 PolarHBondContact O-OG1 3.42Å; N604-G608 PolarHBondContact O-N 3Å; N604-I609 PolarHBondContact N-O 2.85Å
605P96Very high94.1Very high43 Ų4346.3 Ų46.328%0.27927%0.27SS..THydrogen-bonded Turntrans-67.4-21.7-178.226.2-34000114D593 Y603 T607D593-P605 WeakPolarHBondContact O-CB 3.45Å; Y603-P605 HydrophobicContact CE1-CB 3.95Å; P605-T607 VanDerWaalsContact C-N 3.33Å
606A95.8Very high94.1Very high65 Ų6543.8 Ų43.854%0.53726%0.255SS..THydrogen-bonded Turntrans-74.8-24.217800000112.8K591 N604K591-A606 WeakPolarHBondContact CD-O 3.31Å; K591-A606 VanDerWaalsContact CE-O 3.25Å; K591-A606 WeakPolarHBondContact CE-O 3.34Å; K591-A606 PolarHBondContact NZ-O 2.86Å; N604-A606 VanDerWaalsContact C-N 3.26Å; N604-A606 PolarHBondContact O-N 2.85Å; N604-A606 WeakPolarHBondContact OD1-CB 3.43Å; N604-A606 PolarHBondContact OD1-N 3.35Å
607T96.9Very high94.2Very high54 Ų5440.5 Ų40.533%0.33124%0.239SC..THydrogen-bonded Turntrans-108.6-24.9179.162.30000113.7P589 N604 P605 I609P589-T607 WeakPolarHBondContact CB-O 3.42Å; N604-T607 WeakPolarHBondContact CB-OG1 3.41Å; N604-T607 PolarHBondContact O-N 3.44Å; N604-T607 PolarHBondContact O-OG1 3.42Å; P605-T607 VanDerWaalsContact C-N 3.33Å; T607-I609 VanDerWaalsContact C-N 3.35Å; T607-I609 PolarHBondContact OG1-N 2.92Å
608G97.1Very high94.4Very high0 Ų035.2 Ų35.20%022%0.219CC..THydrogen-bonded Turntrans82.411.1-172.300000114.1V590 N604 W672V590-G608 WeakPolarHBondContact O-CA 3.49Å; N604-G608 PolarHBondContact O-N 3Å; G608-W672 WeakPolarHBondContact O-CB 3.22Å
609I98.1Very high94.6Very high29 Ų2937.6 Ų37.615%0.14923%0.225CC..EExtended strand (participates in β ladder)trans-112.7130.1-170.4-56.9172.9000110.4P589 N604 T607 Q670 W672P589-I609 HydrophobicContact CB-CG1 4.18Å; P589-I609 HydrophobicContact CG-CD1 4.23Å; P589-I609 HydrophobicContact CG-CG1 4.19Å; N604-I609 PolarHBondContact N-O 2.85Å; T607-I609 VanDerWaalsContact C-N 3.35Å; T607-I609 PolarHBondContact OG1-N 2.92Å; I609-Q670 HydrophobicContact CG2-CB 3.84Å; I609-Q670 HydrophobicContact CG2-CG 3.99Å; I609-W672 HydrophobicContact CG1-CB 4.13Å; I609-W672 HydrophobicContact CG1-CG 4.46Å; I609-W672 HydrophobicContact CG2-CE3 4.29Å
610F98.3Very high95.1Very high1 Ų137.2 Ų37.20%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-85.4128.3162.2175.9-96.4000109.8F575 G602 Y603 C612 Y618 F620 L665 Q670 V671F575-F610 AromaticContact CD1-CD2 3.37Å; F575-F610 HydrophobicContact CD1-CD2 3.37Å; F575-F610 AromaticContact CD1-CE2 3.79Å; F575-F610 HydrophobicContact CD1-CE2 3.79Å; F575-F610 HydrophobicContact CD1-CG 4.18Å; F575-F610 HydrophobicContact CE1-CB 3.86Å; F575-F610 AromaticContact CE1-CD2 3.36Å; F575-F610 HydrophobicContact CE1-CD2 3.36Å; F575-F610 HydrophobicContact CE1-CE2 4.03Å; F575-F610 AromaticContact CE1-CG 3.69Å; F575-F610 HydrophobicContact CE1-CG 3.69Å; F575-F610 HydrophobicContact CG-CD2 4.35Å; F575-F610 HydrophobicContact CZ-CB 4.08Å; F575-F610 HydrophobicContact CZ-CD2 4.34Å; F575-F610 HydrophobicContact CZ-CG 4.41Å; G602-F610 CarbonylContact O-C 3.45Å; G602-F610 WeakPolarHBondContact O-CA 3.45Å; Y603-F610 HydrophobicContact CD2-CB 4.32Å; F610-C612 HydrophobicContact CE1-CB 4.21Å; F610-Y618 HydrophobicContact CE1-CD1 4.27Å; F610-Y618 HydrophobicContact CE1-CE1 4.1Å; F610-Y618 HydrophobicContact CZ-CD1 4.11Å; F610-Y618 AromaticContact CZ-CE1 3.64Å; F610-Y618 HydrophobicContact CZ-CE1 3.64Å; F610-F620 HydrophobicContact CB-CE1 4.32Å; F610-F620 AromaticContact CD1-CE1 3.76Å; F610-F620 HydrophobicContact CD1-CE1 3.76Å; F610-F620 AromaticContact CD1-CZ 3.62Å; F610-F620 HydrophobicContact CD1-CZ 3.62Å; F610-F620 HydrophobicContact CE1-CE1 4.26Å; F610-F620 AromaticContact CE1-CZ 3.81Å; F610-F620 HydrophobicContact CE1-CZ 3.81Å; F610-F620 HydrophobicContact CG-CE1 4.05Å; F610-F620 HydrophobicContact CG-CZ 4.36Å; F610-L665 HydrophobicContact CD1-CD1 4.37Å; F610-L665 HydrophobicContact CE1-CD1 3.92Å; F610-Q670 CarbonylContact O-C 3.45Å; F610-Q670 VanDerWaalsContact O-CA 3.28Å; F610-Q670 WeakPolarHBondContact O-CA 3.23Å; F610-V671 WeakPolarHBondContact CB-O 3.32Å; F610-V671 HydrophobicContact CD1-CB 4.39Å; F610-V671 PolarHBondContact N-O 3.4Å; F610-V671 PolarHBondContact O-N 3.33Å
611T97.7Very high95.8Very high47 Ų4733.3 Ų33.329%0.28821%0.208SC..EExtended strand (participates in β ladder)trans-110.8124171.4-55.20000108.6G602 P613 Q670G602-T611 PolarHBondContact O-N 2.84Å; T611-P613 VanDerWaalsContact O-CD 3.23Å; T611-P613 WeakPolarHBondContact O-CD 3.38Å; T611-Q670 HydrophobicContact CG2-CG 4.43Å
612C96Very high96.4Very high1 Ų128.9 Ų28.91%0.00718%0.176CC..  trans-64.8113.8-175.5-176.90000111.9F610 V614 Y618 L665 R666 N668 D669F610-C612 HydrophobicContact CE1-CB 4.21Å; C612-V614 PolarHBondContact SG-O 3.19Å; C612-Y618 VanDerWaalsContact SG-CE2 3.6Å; C612-L665 HydrophobicContact CB-CB 4.06Å; C612-L665 HydrophobicContact CB-CD1 3.96Å; C612-L665 VanDerWaalsContact SG-CB 3.55Å; C612-R666 WeakPolarHBondContact CB-O 3.38Å; C612-R666 PolarHBondContact SG-O 3.39Å; C612-N668 PolarHBondContact O-N 3.2Å; C612-D669 HydrophobicContact CB-CB 4.3Å; C612-D669 VanDerWaalsContact CB-O 3.28Å; C612-D669 WeakPolarHBondContact CB-O 3.43Å; C612-D669 PolarHBondContact N-O 3.39Å
613P92.9Very high96.7Very high54 Ų5430.8 Ų30.835%0.35118%0.183SC..SBendtrans-83.4-27.9-179.533.1-33.9000112.7P573 H600 T611P573-P613 HydrophobicContact CB-CG 3.69Å; P573-P613 HydrophobicContact CG-CG 3.83Å; H600-P613 HydrophobicContact CB-CG 4.37Å; T611-P613 VanDerWaalsContact O-CD 3.23Å; T611-P613 WeakPolarHBondContact O-CD 3.38Å
614V92.7Very high96.7Very high59 Ų5930.6 Ų30.636%0.35818%0.182SC..SBendtrans-136.9129.3-176.5-177.80000108.4P573 C612 Y618P573-V614 HydrophobicContact CG-CB 4.28Å; P573-V614 HydrophobicContact CG-CG2 4.02Å; C612-V614 PolarHBondContact SG-O 3.19Å; V614-Y618 VanDerWaalsContact O-CE2 3.31Å; V614-Y618 WeakPolarHBondContact O-CE2 3.38Å; V614-Y618 PolarHBondContact O-OH 2.98Å
615G94.1Very high96.8Very high7 Ų728.1 Ų28.17%0.07217%0.169CC..  trans-57.9139.4177.300000111.8L665 T701G615-L665 WeakPolarHBondContact CA-O 3.25Å; G615-T701 PolarHBondContact O-N 2.89Å
616G94.8Very high96.8Very high0 Ų026.1 Ų26.10%016%0.155CC..EExtended strand (participates in β ladder)trans167.7179.4-178.800000115L665 C699 T701G616-L665 PolarHBondContact N-O 2.81Å; G616-L665 PolarHBondContact O-N 3.5Å; G616-C699 CarbonylContact C-O 3.51Å; G616-C699 WeakPolarHBondContact CA-O 3.38Å; G616-T701 WeakPolarHBondContact CA-OG1 3.48Å; G616-T701 PolarHBondContact N-OG1 2.82Å
617V97Very high96.9Very high39 Ų3926.6 Ų26.624%0.23615%0.145CC..EExtended strand (participates in β ladder)trans-87.9120.7168.6-177.30000108.4V662 Q664 L698 C699V617-V662 HydrophobicContact CG1-CG1 3.32Å; V617-Q664 HydrophobicContact CG2-CB 4.48Å; V617-Q664 HydrophobicContact CG2-CG 4.35Å; V617-L698 HydrophobicContact CG1-CD1 4.25Å; V617-L698 WeakPolarHBondContact O-CA 3.26Å; V617-L698 WeakPolarHBondContact O-CB 3.28Å; V617-L698 PolarHBondContact O-N 2.84Å; V617-C699 HydrophobicContact CB-CB 4.42Å; V617-C699 PolarHBondContact N-O 3Å; V617-C699 PolarHBondContact O-N 2.94Å
618Y97.6Very high96.7Very high0 Ų026.2 Ų26.20%015%0.152CC..EExtended strand (participates in β ladder)trans-111.9146.4178.6-75.2-102.7000110.4P573 F610 C612 V614 F620 V662 L663 L665 F696 L697P573-Y618 HydrophobicContact CB-CE1 4.05Å; F610-Y618 HydrophobicContact CE1-CD1 4.27Å; F610-Y618 HydrophobicContact CE1-CE1 4.1Å; F610-Y618 HydrophobicContact CZ-CD1 4.11Å; F610-Y618 AromaticContact CZ-CE1 3.64Å; F610-Y618 HydrophobicContact CZ-CE1 3.64Å; C612-Y618 VanDerWaalsContact SG-CE2 3.6Å; V614-Y618 VanDerWaalsContact O-CE2 3.31Å; V614-Y618 WeakPolarHBondContact O-CE2 3.38Å; V614-Y618 PolarHBondContact O-OH 2.98Å; Y618-F620 VanDerWaalsContact CB-CE2 3.45Å; Y618-F620 HydrophobicContact CD1-CZ 4.47Å; Y618-F620 HydrophobicContact CG-CE2 4.26Å; Y618-F620 HydrophobicContact CG-CZ 4.44Å; Y618-V662 CarbonylContact O-C 3.57Å; Y618-V662 WeakPolarHBondContact O-CA 3.31Å; Y618-L663 PolarHBondContact N-O 3.08Å; Y618-L663 PolarHBondContact O-N 3.22Å; Y618-L665 HydrophobicContact CD2-CB 3.93Å; Y618-L665 HydrophobicContact CD2-CD1 3.73Å; Y618-L665 HydrophobicContact CD2-CG 3.87Å; Y618-L665 HydrophobicContact CE2-CB 4.19Å; Y618-L665 HydrophobicContact CE2-CD1 4.23Å; Y618-L665 HydrophobicContact CG-CD1 3.95Å; Y618-L665 HydrophobicContact CG-CG 4.39Å; Y618-F696 CarbonylContact C-O 3.48Å; Y618-F696 VanDerWaalsContact CA-O 3.3Å; Y618-F696 WeakPolarHBondContact CA-O 3.25Å; Y618-L697 HydrophobicContact CD1-CB 4.17Å; Y618-L697 HydrophobicContact CD2-CD1 4Å; Y618-L697 HydrophobicContact CE1-CB 3.78Å; Y618-L697 HydrophobicContact CE1-CD1 4.21Å; Y618-L697 HydrophobicContact CE2-CD1 3.58Å; Y618-L697 HydrophobicContact CG-CD1 4.48Å
619Y98.1Very high96.6Very high89 Ų8928.9 Ų28.935%0.34917%0.168SC..EExtended strand (participates in β ladder)trans-102.3133.1163.1-178.8-111.4000109.6A621 V662 G695 F696Y619-A621 HydrophobicContact CE1-CB 3.79Å; Y619-V662 HydrophobicContact CD2-CG2 3.82Å; Y619-G695 CarbonylContact O-C 3.49Å; Y619-G695 WeakPolarHBondContact O-CA 3.49Å; Y619-F696 HydrophobicContact CD1-CD1 4.47Å; Y619-F696 AromaticContact CD1-CE1 3.63Å; Y619-F696 HydrophobicContact CD1-CE1 3.63Å; Y619-F696 AromaticContact CD1-CZ 3.86Å; Y619-F696 HydrophobicContact CD1-CZ 3.86Å; Y619-F696 HydrophobicContact CE1-CE1 4.5Å; Y619-F696 HydrophobicContact CG-CE1 4.46Å; Y619-F696 HydrophobicContact CG-CZ 4.44Å; Y619-F696 PolarHBondContact N-O 2.91Å; Y619-F696 PolarHBondContact O-N 3.45Å
620F98.4Very high96.5Very high0 Ų029.9 Ų29.90%017%0.174CC..EExtended strand (participates in β ladder)trans-117.9141.5172.3-67.8-90.8000109.7F575 F610 Y618 L635 G660 A661 L663 L665 V671 F693 S694F575-F620 HydrophobicContact CE1-CD1 4.2Å; F575-F620 AromaticContact CE1-CE1 3.82Å; F575-F620 HydrophobicContact CE1-CE1 3.82Å; F575-F620 HydrophobicContact CZ-CD1 4.24Å; F575-F620 HydrophobicContact CZ-CE1 4.18Å; F610-F620 HydrophobicContact CB-CE1 4.32Å; F610-F620 AromaticContact CD1-CE1 3.76Å; F610-F620 HydrophobicContact CD1-CE1 3.76Å; F610-F620 AromaticContact CD1-CZ 3.62Å; F610-F620 HydrophobicContact CD1-CZ 3.62Å; F610-F620 HydrophobicContact CE1-CE1 4.26Å; F610-F620 AromaticContact CE1-CZ 3.81Å; F610-F620 HydrophobicContact CE1-CZ 3.81Å; F610-F620 HydrophobicContact CG-CE1 4.05Å; F610-F620 HydrophobicContact CG-CZ 4.36Å; Y618-F620 VanDerWaalsContact CB-CE2 3.45Å; Y618-F620 HydrophobicContact CD1-CZ 4.47Å; Y618-F620 HydrophobicContact CG-CE2 4.26Å; Y618-F620 HydrophobicContact CG-CZ 4.44Å; F620-L635 HydrophobicContact CB-CD1 4.37Å; F620-L635 HydrophobicContact CB-CD2 3.92Å; F620-G660 CarbonylContact O-C 3.6Å; F620-G660 WeakPolarHBondContact O-CA 3.36Å; F620-A661 PolarHBondContact N-O 3.04Å; F620-A661 PolarHBondContact O-N 2.76Å; F620-L663 HydrophobicContact CD2-CB 4.29Å; F620-L663 HydrophobicContact CD2-CD1 3.78Å; F620-L663 HydrophobicContact CD2-CG 4.13Å; F620-L663 HydrophobicContact CE2-CB 4.26Å; F620-L663 HydrophobicContact CE2-CD1 4.05Å; F620-L663 HydrophobicContact CE2-CG 4.5Å; F620-L665 HydrophobicContact CE2-CD1 3.81Å; F620-L665 HydrophobicContact CE2-CG 4.49Å; F620-L665 HydrophobicContact CZ-CD1 3.75Å; F620-V671 HydrophobicContact CD1-CG1 3.83Å; F620-V671 HydrophobicContact CD2-CG1 4.19Å; F620-V671 HydrophobicContact CE1-CB 3.88Å; F620-V671 HydrophobicContact CE1-CG1 3.7Å; F620-V671 HydrophobicContact CE1-CG2 4.36Å; F620-V671 HydrophobicContact CE2-CB 4.33Å; F620-V671 HydrophobicContact CE2-CG1 4.08Å; F620-V671 HydrophobicContact CE2-CG2 3.98Å; F620-V671 HydrophobicContact CG-CG1 4.08Å; F620-V671 HydrophobicContact CZ-CB 3.79Å; F620-V671 HydrophobicContact CZ-CG1 3.85Å; F620-V671 HydrophobicContact CZ-CG2 3.75Å; F620-F693 HydrophobicContact CB-CE2 4.28Å; F620-F693 AromaticContact CD1-CE2 3.84Å; F620-F693 HydrophobicContact CD1-CE2 3.84Å; F620-F693 AromaticContact CD1-CZ 3.8Å; F620-F693 HydrophobicContact CD1-CZ 3.8Å; F620-F693 HydrophobicContact CE1-CZ 4.35Å; F620-S694 WeakPolarHBondContact CA-O 3.18Å
621A98.2Very high96.5Very high29 Ų2929.8 Ų29.824%0.2417%0.174CC..EExtended strand (participates in β ladder)trans-141.3142.817300000110.4Y619 G659 S694Y619-A621 HydrophobicContact CE1-CB 3.79Å; A621-G659 CarbonylContact C-O 3.59Å; A621-G659 WeakPolarHBondContact CA-O 2.99Å; A621-S694 PolarHBondContact N-O 2.79Å; A621-S694 PolarHBondContact O-N 3.29Å; A621-S694 VanDerWaalsContact O-O 3.09Å
622Y98.4Very high96.5Very high4 Ų431.6 Ų31.62%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-131.8145.9170.554.9-86.7000109.8V624 V633 L635 T643 T645 S658 G659 V673 S692Y622-V624 HydrophobicContact CD2-CG1 4.41Å; Y622-V633 HydrophobicContact CD2-CG1 4.09Å; Y622-V633 HydrophobicContact CE2-CB 4.14Å; Y622-V633 HydrophobicContact CE2-CG1 3.68Å; Y622-L635 HydrophobicContact CD1-CD1 4.47Å; Y622-L635 HydrophobicContact CE1-CB 3.97Å; Y622-T643 HydrophobicContact CE1-CG2 4.47Å; Y622-T645 WeakPolarHBondContact OH-CB 3.33Å; Y622-T645 PolarHBondContact OH-OG1 3.23Å; Y622-S658 VanDerWaalsContact O-CA 3.31Å; Y622-S658 WeakPolarHBondContact O-CA 2.93Å; Y622-G659 WeakPolarHBondContact CD1-O 3.43Å; Y622-G659 PolarHBondContact N-O 2.84Å; Y622-G659 PolarHBondContact O-N 3.09Å; Y622-V673 HydrophobicContact CD1-CG2 3.93Å; Y622-V673 HydrophobicContact CG-CG2 4.12Å; Y622-S692 VanDerWaalsContact CA-O 3.26Å; Y622-S692 WeakPolarHBondContact CA-O 3.24Å; Y622-S692 WeakPolarHBondContact CB-O 3.2Å
623H98.1Very high96.6Very high48 Ų4831.6 Ų31.622%0.22218%0.175CC..EExtended strand (participates in β ladder)trans-126125.2173.9169.4-74.8000107.2H625 Q656 S658 S691 S692H623-H625 AromaticContact CE1-CD2 3.78Å; H623-H625 AromaticContact CE1-CE1 3.87Å; H623-H625 AromaticContact CE1-NE2 3.48Å; H623-H625 PolarHBondContact CE1-NE2 2.87Å; H623-Q656 PolarHBondContact CE1-NE2 3.07Å; H623-Q656 PolarHBondContact NE2-NE2 2.8Å; H623-S658 PolarHBondContact CD2-OG 2.82Å; H623-S691 CarbonylContact O-C 3.47Å; H623-S691 VanDerWaalsContact O-CA 3.22Å; H623-S691 WeakPolarHBondContact O-CA 3.48Å; H623-S692 PolarHBondContact N-O 3.41Å; H623-S692 PolarHBondContact O-N 3.43Å
624V98Very high96.8Very high0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-125.9141.8-178.8-63.20000111.2Y622 V631 V633 Q656 A657 L683 S691Y622-V624 HydrophobicContact CD2-CG1 4.41Å; V624-V631 HydrophobicContact CG2-CG1 4.36Å; V624-V633 HydrophobicContact CG2-CG2 4.2Å; V624-Q656 WeakPolarHBondContact O-CA 3.43Å; V624-A657 HydrophobicContact CG2-CB 3.9Å; V624-A657 PolarHBondContact N-O 3.43Å; V624-A657 PolarHBondContact O-N 2.91Å; V624-L683 HydrophobicContact CB-CG 4.12Å; V624-L683 HydrophobicContact CG1-CD1 3.89Å; V624-L683 HydrophobicContact CG1-CD2 4.48Å; V624-L683 HydrophobicContact CG1-CG 3.93Å; V624-S691 WeakPolarHBondContact CA-OG 3.38Å
625H97.9Very high97.1Very high22 Ų2226.2 Ų26.210%0.10214%0.141CC..EExtended strand (participates in β ladder)trans-90.4145167.9-70.1-89.8000110.7H623 L654 D655 Q656 Y684 I689 H690 S691H623-H625 AromaticContact CE1-CD2 3.78Å; H623-H625 AromaticContact CE1-CE1 3.87Å; H623-H625 AromaticContact CE1-NE2 3.48Å; H623-H625 PolarHBondContact CE1-NE2 2.87Å; H625-L654 HydrophobicContact CB-CD1 4.27Å; H625-D655 WeakPolarHBondContact CA-O 3.18Å; H625-Q656 PolarHBondContact CE1-NE2 2.92Å; H625-Q656 VanDerWaalsContact CE1-NE2 3.29Å; H625-Q656 WeakPolarHBondContact ND1-CG 3.4Å; H625-Y684 PolarHBondContact O-N 3.31Å; H625-I689 HydrophobicContact CB-CG2 3.96Å; H625-I689 WeakPolarHBondContact CD2-CG2 3.4Å; H625-I689 VanDerWaalsContact CG-CG2 3.41Å; H625-H690 PolarHBondContact CD2-O 3.45Å; H625-S691 PolarHBondContact N-OG 2.96Å
626V97.6Very high97.3Very high0 Ų027.2 Ų27.20%014%0.143CC..EExtended strand (participates in β ladder)trans-115.7122.1-173.1-173.30000110.2V631 D647 D655 A657 G682V626-V631 HydrophobicContact CG1-CB 4.12Å; V626-V631 HydrophobicContact CG1-CG1 4.3Å; V626-V631 HydrophobicContact CG2-CB 4.08Å; V626-V631 HydrophobicContact CG2-CG1 3.54Å; V626-D647 HydrophobicContact CG2-CB 4.24Å; V626-D647 WeakPolarHBondContact CG2-OD2 3.35Å; V626-D655 HydrophobicContact CB-CB 4.13Å; V626-D655 PolarHBondContact N-O 2.7Å; V626-D655 PolarHBondContact O-N 2.9Å; V626-D655 VanDerWaalsContact O-N 3.16Å; V626-A657 HydrophobicContact CG2-CB 4.19Å; V626-G682 WeakPolarHBondContact CA-O 3.34Å
627K96.4Very high97.5Very high76 Ų7629.5 Ų29.533%0.3315%0.153SC..EExtended strand (participates in β ladder)trans-149.2142.7-178.3-159-178.3-178.2178.80112.5F583 T629 Y649 L654 G682 Y684F583-K627 WeakPolarHBondContact CE1-O 3.48Å; K627-T629 PolarHBondContact O-N 2.89Å; K627-Y649 HydrophobicContact CB-CE2 4.47Å; K627-Y649 HydrophobicContact CG-CE2 4.2Å; K627-L654 HydrophobicContact CB-CD1 3.94Å; K627-L654 HydrophobicContact CD-CD1 4.17Å; K627-L654 HydrophobicContact CG-CD1 4.18Å; K627-G682 PolarHBondContact N-O 2.94Å; K627-G682 WeakPolarHBondContact O-CA 3.46Å; K627-Y684 HydrophobicContact CB-CD1 4.21Å; K627-Y684 HydrophobicContact CB-CD2 4.03Å; K627-Y684 HydrophobicContact CB-CG 3.69Å; K627-Y684 HydrophobicContact CD-CD1 3.8Å; K627-Y684 HydrophobicContact CD-CD2 3.65Å; K627-Y684 HydrophobicContact CD-CE1 3.72Å; K627-Y684 HydrophobicContact CD-CE2 3.6Å; K627-Y684 HydrophobicContact CD-CG 3.74Å; K627-Y684 HydrophobicContact CG-CD2 4.47Å; K627-Y684 HydrophobicContact CG-CG 4.39Å; K627-Y684 PolarHBondContact NZ-OH 3.22Å; K627-Y684 VanDerWaalsContact NZ-OH 3.09Å
628G94Very high97.5Very high46 Ų4630.8 Ų30.847%0.47416%0.159SC..EExtended strand (participates in β ladder)trans83.2-49.3167.600000113.9Y649G628-Y649 VanDerWaalsContact N-CD2 3.33Å; G628-Y649 VanDerWaalsContact N-CZ 3.27Å; G628-Y649 VanDerWaalsContact O-CD1 3.27Å; G628-Y649 WeakPolarHBondContact O-CD1 3.33Å
629T94.9Very high97.3Very high55 Ų5536.6 Ų36.634%0.33719%0.19SC..EExtended strand (participates in β ladder)trans-134.3166.5173.749.20000109.4K627 Y649 N681 G682K627-T629 PolarHBondContact O-N 2.89Å; T629-Y649 WeakPolarHBondContact O-CB 3.44Å; T629-N681 PolarHBondContact OG1-OD1 3Å; T629-G682 WeakPolarHBondContact O-CA 3.28Å; T629-G682 WeakPolarHBondContact OG1-CA 3.21Å; T629-G682 PolarHBondContact OG1-N 2.68Å; T629-G682 VanDerWaalsContact OG1-N 3.15Å
630N96.7Very high97.3Very high50 Ų5037 Ų3727%0.26720%0.201SC..EExtended strand (participates in β ladder)trans-59.5157.6172.5-60.1-4.1000109.8Y646 D647 Y649 A680 N681 G682N630-Y646 HydrophobicContact CB-CE2 4.09Å; N630-Y646 PolarHBondContact ND2-OH 3.4Å; N630-D647 WeakPolarHBondContact CA-O 3.26Å; N630-D647 WeakPolarHBondContact CB-O 3.42Å; N630-Y649 PolarHBondContact OD1-N 2.91Å; N630-A680 HydrophobicContact CB-CB 4.49Å; N630-A680 CarbonylContact O-C 3.53Å; N630-A680 WeakPolarHBondContact O-CA 3.15Å; N630-N681 PolarHBondContact O-N 3.45Å; N630-G682 PolarHBondContact O-N 2.79Å
631V97.6Very high97.1Very high0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-112.5136.2172.787.20000110.5V624 V626 V633 Y646 D647 A657 M675 A680 L683V624-V631 HydrophobicContact CG2-CG1 4.36Å; V626-V631 HydrophobicContact CG1-CB 4.12Å; V626-V631 HydrophobicContact CG1-CG1 4.3Å; V626-V631 HydrophobicContact CG2-CB 4.08Å; V626-V631 HydrophobicContact CG2-CG1 3.54Å; V631-V633 HydrophobicContact CG1-CG2 4.27Å; V631-V633 HydrophobicContact CG2-CG2 3.6Å; V631-Y646 WeakPolarHBondContact O-CA 3.44Å; V631-Y646 VanDerWaalsContact O-CD2 3.25Å; V631-Y646 WeakPolarHBondContact O-CD2 3.14Å; V631-D647 HydrophobicContact CG1-CB 4.15Å; V631-D647 PolarHBondContact N-O 2.98Å; V631-D647 PolarHBondContact O-N 3.49Å; V631-A657 HydrophobicContact CG1-CB 4.43Å; V631-M675 HydrophobicContact CG2-SD 4.21Å; V631-A680 CarbonylContact C-O 3.55Å; V631-A680 WeakPolarHBondContact CA-O 3.41Å; V631-L683 HydrophobicContact CG2-CB 3.87Å
632W97.7Very high97Very high85 Ų8540.1 Ų40.132%0.32222%0.223SC..EExtended strand (participates in β ladder)trans-127.2111165.7-175.229.1000108.7Y644 Y646 M675 P676 A680W632-Y644 AromaticContact CE2-CD1 3.81Å; W632-Y644 AromaticContact CZ2-CD1 3.86Å; W632-Y644 HydrophobicContact CZ2-CD1 3.86Å; W632-Y644 AromaticContact CZ2-CE1 3.69Å; W632-Y644 HydrophobicContact CZ2-CE1 3.69Å; W632-Y644 AromaticContact NE1-CD1 3.33Å; W632-Y644 VanDerWaalsContact NE1-CD1 3.33Å; W632-Y644 AromaticContact NE1-CG 4Å; W632-Y646 HydrophobicContact CB-CD2 4.03Å; W632-Y646 HydrophobicContact CG-CD2 4.42Å; W632-M675 VanDerWaalsContact O-CA 3.31Å; W632-M675 WeakPolarHBondContact O-CA 3.45Å; W632-M675 WeakPolarHBondContact O-CB 3.46Å; W632-P676 HydrophobicContact CD2-CB 4.41Å; W632-P676 HydrophobicContact CD2-CG 4.02Å; W632-P676 HydrophobicContact CE3-CB 3.97Å; W632-P676 HydrophobicContact CE3-CG 4.09Å; W632-P676 HydrophobicContact CH2-CB 3.9Å; W632-P676 HydrophobicContact CH2-CG 4.17Å; W632-P676 HydrophobicContact CZ2-CB 4.34Å; W632-P676 HydrophobicContact CZ2-CG 4.1Å; W632-P676 HydrophobicContact CZ3-CB 3.71Å; W632-P676 HydrophobicContact CZ3-CG 4.18Å; W632-P676 VanDerWaalsContact O-CD 3.23Å; W632-P676 WeakPolarHBondContact O-CD 3.35Å; W632-A680 HydrophobicContact CB-CB 3.57Å; W632-A680 PolarHBondContact N-O 3.22Å
633V97.8Very high96.9Very high0 Ų041.8 Ų41.80%023%0.234CC..EExtended strand (participates in β ladder)trans-115.7138.9-176.8-175.60000108.8Y622 V624 V631 Y644 T645 V673 M675 L683Y622-V633 HydrophobicContact CD2-CG1 4.09Å; Y622-V633 HydrophobicContact CE2-CB 4.14Å; Y622-V633 HydrophobicContact CE2-CG1 3.68Å; V624-V633 HydrophobicContact CG2-CG2 4.2Å; V631-V633 HydrophobicContact CG1-CG2 4.27Å; V631-V633 HydrophobicContact CG2-CG2 3.6Å; V633-Y644 CarbonylContact O-C 3.58Å; V633-Y644 WeakPolarHBondContact O-CA 3.33Å; V633-T645 PolarHBondContact N-O 3.16Å; V633-T645 PolarHBondContact O-N 3.48Å; V633-V673 HydrophobicContact CG1-CG1 3.23Å; V633-M675 HydrophobicContact CG2-CG 4.38Å; V633-L683 HydrophobicContact CG2-CD1 4.49Å
634A97.9Very high96.9Very high0 Ų045.3 Ų45.30%025%0.246CC..EExtended strand (participates in β ladder)trans-126.6139.6171.400000110.6Y636 P641 T643 Y644 V673 Q674 P676A634-Y636 HydrophobicContact CB-CD2 4.1Å; A634-Y636 HydrophobicContact CB-CE2 3.58Å; A634-P641 HydrophobicContact CB-CB 4.41Å; A634-T643 VanDerWaalsContact CA-O 3.31Å; A634-T643 WeakPolarHBondContact CA-O 3.23Å; A634-Y644 HydrophobicContact CB-CD1 3.57Å; A634-Y644 HydrophobicContact CB-CE1 3.79Å; A634-Y644 HydrophobicContact CB-CG 4.48Å; A634-V673 WeakPolarHBondContact O-CA 3.41Å; A634-Q674 PolarHBondContact N-O 2.77Å; A634-Q674 PolarHBondContact O-N 3.21Å; A634-P676 HydrophobicContact CB-CG 3.93Å
635L98.4Very high96.9Very high0 Ų046.3 Ų46.30%025%0.252CS..EExtended strand (participates in β ladder)trans-89.5119.9166.6-175.473.5000107.8F620 Y622 A642 T643 A661 L663 V671 V673 F693F620-L635 HydrophobicContact CB-CD1 4.37Å; F620-L635 HydrophobicContact CB-CD2 3.92Å; Y622-L635 HydrophobicContact CD1-CD1 4.47Å; Y622-L635 HydrophobicContact CE1-CB 3.97Å; L635-A642 PolarHBondContact O-N 3.24Å; L635-T643 HydrophobicContact CB-CG2 3.75Å; L635-T643 HydrophobicContact CD2-CG2 4.17Å; L635-T643 PolarHBondContact N-O 3.02Å; L635-A661 HydrophobicContact CD2-CB 3.83Å; L635-L663 HydrophobicContact CD2-CD1 3.98Å; L635-V671 HydrophobicContact CD1-CG1 3.77Å; L635-V671 HydrophobicContact CG-CG1 4.17Å; L635-V673 HydrophobicContact CD1-CG2 3.83Å; L635-F693 HydrophobicContact CD1-CE2 3.68Å; L635-F693 HydrophobicContact CD1-CZ 3.89Å
636Y98.3Very high96.8Very high28 Ų2850.8 Ų50.811%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-100.6142.8178.5-74.8-94.8000111.1A634 V640 P641 V671 W672 Q674A634-Y636 HydrophobicContact CB-CD2 4.1Å; A634-Y636 HydrophobicContact CB-CE2 3.58Å; Y636-V640 CarbonylContact C-O 2.97Å; Y636-V640 WeakPolarHBondContact CA-O 3.4Å; Y636-P641 HydrophobicContact CD1-CB 4.11Å; Y636-P641 HydrophobicContact CE1-CB 3.85Å; Y636-P641 HydrophobicContact CE1-CG 4.14Å; Y636-V671 VanDerWaalsContact O-CA 3.23Å; Y636-V671 WeakPolarHBondContact O-CA 3.4Å; Y636-V671 WeakPolarHBondContact O-CG1 3.35Å; Y636-W672 VanDerWaalsContact CB-CE2 3.48Å; Y636-W672 HydrophobicContact CD1-CZ2 4.45Å; Y636-W672 AromaticContact CD2-NE1 3.78Å; Y636-W672 AromaticContact CG-CE2 3.96Å; Y636-W672 HydrophobicContact CG-CZ2 4.17Å; Y636-W672 AromaticContact CG-NE1 3.83Å; Y636-W672 PolarHBondContact N-O 3.37Å; Y636-W672 PolarHBondContact O-N 3.06Å; Y636-W672 VanDerWaalsContact O-N 3.11Å; Y636-Q674 HydrophobicContact CD2-CB 3.83Å; Y636-Q674 HydrophobicContact CD2-CG 4.42Å; Y636-Q674 HydrophobicContact CE2-CB 3.69Å; Y636-Q674 HydrophobicContact CE2-CG 3.83Å
637K98Very high96.8Very high49 Ų4952.4 Ų52.421%0.21328%0.278CS..EExtended strand (participates in β ladder)trans-121119.2163.3-179.1-169.4171178.40108.3N639 V640 L663 Q664 L665 D669 Q670 V671K637-N639 VanDerWaalsContact C-N 3.28Å; K637-N639 PolarHBondContact O-N 3.05Å; K637-V640 PolarHBondContact N-O 3.42Å; K637-V640 WeakPolarHBondContact O-CA 3.48Å; K637-V640 WeakPolarHBondContact O-CB 3.4Å; K637-V640 PolarHBondContact O-N 3.12Å; K637-L663 HydrophobicContact CB-CD1 4.37Å; K637-Q664 PolarHBondContact NZ-O 3.19Å; K637-L665 HydrophobicContact CD-CD2 3.73Å; K637-L665 HydrophobicContact CG-CD2 4.03Å; K637-D669 WeakPolarHBondContact CE-OD2 3.26Å; K637-D669 IonicContact NZ-OD2 3.16Å; K637-D669 PolarHBondContact NZ-OD2 3.29Å; K637-Q670 CarbonylContact C-O 3.52Å; K637-Q670 WeakPolarHBondContact CA-O 3.49Å; K637-V671 HydrophobicContact CB-CG2 4.5Å; K637-V671 HydrophobicContact CG-CG2 4.36Å
638N96.9Very high96.8Very high65 Ų6554 Ų5435%0.34829%0.286SS..THydrogen-bonded Turntrans48.844.5178.7-60.9-11.9000113.9V640 D669 Q670N638-V640 PolarHBondContact O-N 2.91Å; N638-D669 PolarHBondContact ND2-OD1 3.35Å; N638-D669 WeakPolarHBondContact OD1-CA 3.41Å; N638-Q670 PolarHBondContact N-O 2.84Å; N638-Q670 PolarHBondContact OD1-N 3.47Å; N638-Q670 PolarHBondContact OD1-O 3.08Å
639N95.1Very high96.9Very high123 Ų12354.2 Ų54.266%0.65827%0.273SS*.THydrogen-bonded Turntrans68.9-0.7-173.8-49.5-77.8000116.1K637 W672K637-N639 VanDerWaalsContact C-N 3.28Å; K637-N639 PolarHBondContact O-N 3.05Å; N639-W672 HydrophobicContact CB-CH2 4.28Å; N639-W672 WeakPolarHBondContact OD1-CH2 3.35Å
640V96.6Very high96.8Very high97 Ų9757.9 Ų57.959%0.58829%0.285SS*.EExtended strand (participates in β ladder)trans-93.6123.2171.5-175.90000109.3Y636 K637 N638 A642Y636-V640 CarbonylContact C-O 2.97Å; Y636-V640 WeakPolarHBondContact CA-O 3.4Å; K637-V640 PolarHBondContact N-O 3.42Å; K637-V640 WeakPolarHBondContact O-CA 3.48Å; K637-V640 WeakPolarHBondContact O-CB 3.4Å; K637-V640 PolarHBondContact O-N 3.12Å; N638-V640 PolarHBondContact O-N 2.91Å; V640-A642 PolarHBondContact O-N 3.1Å
641P95.6Very high96.6Very high44 Ų4464.8 Ų64.829%0.28631%0.312SS..EExtended strand (participates in β ladder)trans-68.6123.4174.526.9-30.6000109.9A634 Y636 Y644A634-P641 HydrophobicContact CB-CB 4.41Å; Y636-P641 HydrophobicContact CD1-CB 4.11Å; Y636-P641 HydrophobicContact CE1-CB 3.85Å; Y636-P641 HydrophobicContact CE1-CG 4.14Å; P641-Y644 HydrophobicContact CB-CE1 4Å; P641-Y644 HydrophobicContact CB-CE2 4.1Å; P641-Y644 WeakPolarHBondContact CB-OH 3.44Å; P641-Y644 HydrophobicContact CG-CE1 4.47Å; P641-Y644 HydrophobicContact CG-CE2 4.33Å; P641-Y644 WeakPolarHBondContact CG-OH 3.34Å
642A95.5Very high96.3Very high50 Ų5067.9 Ų67.941%0.41335%0.345SS..EExtended strand (participates in β ladder)trans-95.4-31.7-177.800000112.9L635 V640 L663L635-A642 PolarHBondContact O-N 3.24Å; V640-A642 PolarHBondContact O-N 3.1Å; A642-L663 HydrophobicContact CB-CD2 3.78Å
643T96.4Very high96.1Very high40 Ų4072 Ų7225%0.24536%0.361CS..EExtended strand (participates in β ladder)trans-152.5156.9171-173.80000110.7Y622 A634 L635 A661Y622-T643 HydrophobicContact CE1-CG2 4.47Å; A634-T643 VanDerWaalsContact CA-O 3.31Å; A634-T643 WeakPolarHBondContact CA-O 3.23Å; L635-T643 HydrophobicContact CB-CG2 3.75Å; L635-T643 HydrophobicContact CD2-CG2 4.17Å; L635-T643 PolarHBondContact N-O 3.02Å; T643-A661 HydrophobicContact CG2-CB 4.14Å
644Y97.1Very high95.9Very high121 Ų12175.8 Ų75.848%0.47538%0.381SS..EExtended strand (participates in β ladder)trans-125138.3177.9-62.3-86.4000110W632 V633 A634 P641W632-Y644 AromaticContact CE2-CD1 3.81Å; W632-Y644 AromaticContact CZ2-CD1 3.86Å; W632-Y644 HydrophobicContact CZ2-CD1 3.86Å; W632-Y644 AromaticContact CZ2-CE1 3.69Å; W632-Y644 HydrophobicContact CZ2-CE1 3.69Å; W632-Y644 AromaticContact NE1-CD1 3.33Å; W632-Y644 VanDerWaalsContact NE1-CD1 3.33Å; W632-Y644 AromaticContact NE1-CG 4Å; V633-Y644 CarbonylContact O-C 3.58Å; V633-Y644 WeakPolarHBondContact O-CA 3.33Å; A634-Y644 HydrophobicContact CB-CD1 3.57Å; A634-Y644 HydrophobicContact CB-CE1 3.79Å; A634-Y644 HydrophobicContact CB-CG 4.48Å; P641-Y644 HydrophobicContact CB-CE1 4Å; P641-Y644 HydrophobicContact CB-CE2 4.1Å; P641-Y644 WeakPolarHBondContact CB-OH 3.44Å; P641-Y644 HydrophobicContact CG-CE1 4.47Å; P641-Y644 HydrophobicContact CG-CE2 4.33Å; P641-Y644 WeakPolarHBondContact CG-OH 3.34Å
645T98Very high95.8Very high21 Ų2178.2 Ų78.213%0.12939%0.394CS..EExtended strand (participates in β ladder)trans-122.5128.8167.9-67.20000108.1Y622 V633 A657Y622-T645 WeakPolarHBondContact OH-CB 3.33Å; Y622-T645 PolarHBondContact OH-OG1 3.23Å; V633-T645 PolarHBondContact N-O 3.16Å; V633-T645 PolarHBondContact O-N 3.48Å; T645-A657 HydrophobicContact CG2-CB 3.75Å
646Y97.5Very high95.7Very high116 Ų11683.8 Ų83.846%0.45542%0.42SS..EExtended strand (participates in β ladder)trans-125.1140175.1174.8-98.2000108.9N630 V631 W632 E648N630-Y646 HydrophobicContact CB-CE2 4.09Å; N630-Y646 PolarHBondContact ND2-OH 3.4Å; V631-Y646 WeakPolarHBondContact O-CA 3.44Å; V631-Y646 VanDerWaalsContact O-CD2 3.25Å; V631-Y646 WeakPolarHBondContact O-CD2 3.14Å; W632-Y646 HydrophobicContact CB-CD2 4.03Å; W632-Y646 HydrophobicContact CG-CD2 4.42Å; Y646-E648 HydrophobicContact CD1-CG 4.44Å; Y646-E648 HydrophobicContact CE1-CG 3.49Å; Y646-E648 VanDerWaalsContact CE1-CG 3.49Å; Y646-E648 PolarHBondContact OH-OE1 3.49Å
647D97.4Very high95.7Very high35 Ų3582.8 Ų82.819%0.18742%0.418CS..EExtended strand (participates in β ladder)trans-149.1147.5176.7-175.330000111.4V626 N630 V631 A657V626-D647 HydrophobicContact CG2-CB 4.24Å; V626-D647 WeakPolarHBondContact CG2-OD2 3.35Å; N630-D647 WeakPolarHBondContact CA-O 3.26Å; N630-D647 WeakPolarHBondContact CB-O 3.42Å; V631-D647 HydrophobicContact CG1-CB 4.15Å; V631-D647 PolarHBondContact N-O 2.98Å; V631-D647 PolarHBondContact O-N 3.49Å; D647-A657 HydrophobicContact CB-CB 3.72Å
648E96Very high95.7Very high109 Ų10983.9 Ų83.951%0.50943%0.432SS..  trans-103.5121.4-167.9-62.9-161.214900112.4Y646 K650Y646-E648 HydrophobicContact CD1-CG 4.44Å; Y646-E648 HydrophobicContact CE1-CG 3.49Å; Y646-E648 VanDerWaalsContact CE1-CG 3.49Å; Y646-E648 PolarHBondContact OH-OE1 3.49Å; E648-K650 PolarHBondContact O-N 2.79Å; E648-K650 VanDerWaalsContact O-N 3.17Å
649Y95.4Very high95.7Very high51 Ų5181.5 Ų81.520%0.242%0.422CS..  trans-76.5110.2-179.6175.4-108.4000111.9K627 G628 T629 N630 K651 G652 Y653K627-Y649 HydrophobicContact CB-CE2 4.47Å; K627-Y649 HydrophobicContact CG-CE2 4.2Å; G628-Y649 VanDerWaalsContact N-CD2 3.33Å; G628-Y649 VanDerWaalsContact N-CZ 3.27Å; G628-Y649 VanDerWaalsContact O-CD1 3.27Å; G628-Y649 WeakPolarHBondContact O-CD1 3.33Å; T629-Y649 WeakPolarHBondContact O-CB 3.44Å; N630-Y649 PolarHBondContact OD1-N 2.91Å; Y649-K651 HydrophobicContact CE1-CB 4.47Å; Y649-K651 PolarHBondContact O-N 3.22Å; Y649-G652 PolarHBondContact OH-N 2.81Å; Y649-Y653 WeakPolarHBondContact CE2-O 3.39Å
650K93.4Very high95.7Very high132 Ų13277 Ų7757%0.57441%0.405SS*.  trans-80.7116.7169-70.2166.2-170.3146.50109.8E648 G652 Y653E648-K650 PolarHBondContact O-N 2.79Å; E648-K650 VanDerWaalsContact O-N 3.17Å; K650-G652 PolarHBondContact O-N 2.86Å; K650-G652 VanDerWaalsContact O-N 3.12Å; K650-Y653 HydrophobicContact CB-CD2 4.33Å; K650-Y653 PolarHBondContact O-N 2.93Å
651K92.7Very high95.8Very high194 Ų19473.2 Ų73.284%0.84338%0.384SS*.THydrogen-bonded Turntrans-49.1118.7-177.7-173178.7-178.3179.40112.1Y649Y649-K651 HydrophobicContact CE1-CB 4.47Å; Y649-K651 PolarHBondContact O-N 3.22Å
652G90.4Very high95.9Very high66 Ų6675.4 Ų75.468%0.6840%0.396SS*.THydrogen-bonded Turntrans95.9-12.2-179.500000115.5Y649 K650Y649-G652 PolarHBondContact OH-N 2.81Å; K650-G652 PolarHBondContact O-N 2.86Å; K650-G652 VanDerWaalsContact O-N 3.12Å
653Y93.5Very high96Very high171 Ų17174 Ų7467%0.67138%0.381SS*.  trans-111.7133.3-178.6-64.4-89.3000110.7Y649 K650Y649-Y653 WeakPolarHBondContact CE2-O 3.39Å; K650-Y653 HydrophobicContact CB-CD2 4.33Å; K650-Y653 PolarHBondContact O-N 2.93Å
654L94.4Very high96Very high79 Ų7978.3 Ų78.341%0.41440%0.399SS..  trans-83.5127.3169.7-175.476.9000107.9H625 K627 Y684 I689H625-L654 HydrophobicContact CB-CD1 4.27Å; K627-L654 HydrophobicContact CB-CD1 3.94Å; K627-L654 HydrophobicContact CD-CD1 4.17Å; K627-L654 HydrophobicContact CG-CD1 4.18Å; L654-Y684 HydrophobicContact CD1-CD1 3.77Å; L654-Y684 HydrophobicContact CD1-CE1 4.3Å; L654-I689 HydrophobicContact CD2-CD1 4.06Å; L654-I689 HydrophobicContact CD2-CG2 4.16Å
655D96.3Very high96Very high52 Ų5272.6 Ų72.628%0.27838%0.377SS..EExtended strand (participates in β ladder)trans-110.4172.6176.4-134.5-38.1000112.2H625 V626H625-D655 WeakPolarHBondContact CA-O 3.18Å; V626-D655 HydrophobicContact CB-CB 4.13Å; V626-D655 PolarHBondContact N-O 2.7Å; V626-D655 PolarHBondContact O-N 2.9Å; V626-D655 VanDerWaalsContact O-N 3.16Å
656Q96.4Very high96Very high116 Ų11680.5 Ų80.554%0.54240%0.404SS..EExtended strand (participates in β ladder)trans-135.6118-178.7-73178.4-73.500111.1H623 V624 H625H623-Q656 PolarHBondContact CE1-NE2 3.07Å; H623-Q656 PolarHBondContact NE2-NE2 2.8Å; V624-Q656 WeakPolarHBondContact O-CA 3.43Å; H625-Q656 PolarHBondContact CE1-NE2 2.92Å; H625-Q656 VanDerWaalsContact CE1-NE2 3.29Å; H625-Q656 WeakPolarHBondContact ND1-CG 3.4Å
657A96.8Very high95.8Very high8 Ų878.5 Ų78.57%0.06641%0.406CS..EExtended strand (participates in β ladder)trans-111145.8173.600000110.2V624 V626 V631 T645 D647V624-A657 HydrophobicContact CG2-CB 3.9Å; V624-A657 PolarHBondContact N-O 3.43Å; V624-A657 PolarHBondContact O-N 2.91Å; V626-A657 HydrophobicContact CG2-CB 4.19Å; V631-A657 HydrophobicContact CG1-CB 4.43Å; T645-A657 HydrophobicContact CG2-CB 3.75Å; D647-A657 HydrophobicContact CB-CB 3.72Å
658S97.8Very high95.8Very high72 Ų7282.9 Ų82.950%0.50343%0.429SS..EExtended strand (participates in β ladder)trans-139.4149.7176.2-66.30000110.5Y622 H623Y622-S658 VanDerWaalsContact O-CA 3.31Å; Y622-S658 WeakPolarHBondContact O-CA 2.93Å; H623-S658 PolarHBondContact CD2-OG 2.82Å
659G96.7Very high95.9Very high14 Ų1478.3 Ų78.314%0.14441%0.408CS..EExtended strand (participates in β ladder)trans-149.4160177.300000110.8A621 Y622A621-G659 CarbonylContact C-O 3.59Å; A621-G659 WeakPolarHBondContact CA-O 2.99Å; Y622-G659 WeakPolarHBondContact CD1-O 3.43Å; Y622-G659 PolarHBondContact N-O 2.84Å; Y622-G659 PolarHBondContact O-N 3.09Å
660G96.4Very high96Very high29 Ų2979.6 Ų79.630%0.29942%0.416SS..EExtended strand (participates in β ladder)trans-164.3162.4177.600000111.6F620F620-G660 CarbonylContact O-C 3.6Å; F620-G660 WeakPolarHBondContact O-CA 3.36Å
661A97.8Very high96.2Very high18 Ų1873.3 Ų73.315%0.14939%0.388CS..EExtended strand (participates in β ladder)trans-152.6144.9178.200000110.7F620 L635 T643 L663F620-A661 PolarHBondContact N-O 3.04Å; F620-A661 PolarHBondContact O-N 2.76Å; L635-A661 HydrophobicContact CD2-CB 3.83Å; T643-A661 HydrophobicContact CG2-CB 4.14Å; A661-L663 HydrophobicContact CB-CD2 3.95Å; A661-L663 HydrophobicContact CB-CG 4.15Å
662V98Very high96.5Very high90 Ų9064.5 Ų64.555%0.54535%0.35SS..EExtended strand (participates in β ladder)trans-86.9120.1163.5178.80000107.6V617 Y618 Y619 L698V617-V662 HydrophobicContact CG1-CG1 3.32Å; Y618-V662 CarbonylContact O-C 3.57Å; Y618-V662 WeakPolarHBondContact O-CA 3.31Å; Y619-V662 HydrophobicContact CD2-CG2 3.82Å; V662-L698 HydrophobicContact CG1-CD1 4.22Å; V662-L698 HydrophobicContact CG2-CD1 4.28Å
663L97.5Very high96.9Very high19 Ų1961.4 Ų61.410%0.09932%0.318CS..EExtended strand (participates in β ladder)trans-123.5122.4-177.7-58.2-179.2000109.7Y618 F620 L635 K637 A642 A661 L665 V671Y618-L663 PolarHBondContact N-O 3.08Å; Y618-L663 PolarHBondContact O-N 3.22Å; F620-L663 HydrophobicContact CD2-CB 4.29Å; F620-L663 HydrophobicContact CD2-CD1 3.78Å; F620-L663 HydrophobicContact CD2-CG 4.13Å; F620-L663 HydrophobicContact CE2-CB 4.26Å; F620-L663 HydrophobicContact CE2-CD1 4.05Å; F620-L663 HydrophobicContact CE2-CG 4.5Å; L635-L663 HydrophobicContact CD2-CD1 3.98Å; K637-L663 HydrophobicContact CB-CD1 4.37Å; A642-L663 HydrophobicContact CB-CD2 3.78Å; A661-L663 HydrophobicContact CB-CD2 3.95Å; A661-L663 HydrophobicContact CB-CG 4.15Å; L663-L665 HydrophobicContact CB-CD2 3.95Å; L663-L665 HydrophobicContact CB-CG 4.42Å; L663-L665 PolarHBondContact O-N 3.08Å; L663-V671 HydrophobicContact CD1-CG1 4.07Å; L663-V671 HydrophobicContact CD1-CG2 4.14Å
664Q97.3Very high97.1Very high131 Ų13154.5 Ų54.561%0.61229%0.291SS*.EExtended strand (participates in β ladder)trans-75123.4164.6-169.8177.821.300108.8V617 K637V617-Q664 HydrophobicContact CG2-CB 4.48Å; V617-Q664 HydrophobicContact CG2-CG 4.35Å; K637-Q664 PolarHBondContact NZ-O 3.19Å
665L97.4Very high97.2Very high2 Ų250.7 Ų50.71%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-118.2140.7-177.6-58.5-171.4000110.9F610 C612 G615 G616 Y618 F620 K637 L663 D669 V671F610-L665 HydrophobicContact CD1-CD1 4.37Å; F610-L665 HydrophobicContact CE1-CD1 3.92Å; C612-L665 HydrophobicContact CB-CB 4.06Å; C612-L665 HydrophobicContact CB-CD1 3.96Å; C612-L665 VanDerWaalsContact SG-CB 3.55Å; G615-L665 WeakPolarHBondContact CA-O 3.25Å; G616-L665 PolarHBondContact N-O 2.81Å; G616-L665 PolarHBondContact O-N 3.5Å; Y618-L665 HydrophobicContact CD2-CB 3.93Å; Y618-L665 HydrophobicContact CD2-CD1 3.73Å; Y618-L665 HydrophobicContact CD2-CG 3.87Å; Y618-L665 HydrophobicContact CE2-CB 4.19Å; Y618-L665 HydrophobicContact CE2-CD1 4.23Å; Y618-L665 HydrophobicContact CG-CD1 3.95Å; Y618-L665 HydrophobicContact CG-CG 4.39Å; F620-L665 HydrophobicContact CE2-CD1 3.81Å; F620-L665 HydrophobicContact CE2-CG 4.49Å; F620-L665 HydrophobicContact CZ-CD1 3.75Å; K637-L665 HydrophobicContact CD-CD2 3.73Å; K637-L665 HydrophobicContact CG-CD2 4.03Å; L663-L665 HydrophobicContact CB-CD2 3.95Å; L663-L665 HydrophobicContact CB-CG 4.42Å; L663-L665 PolarHBondContact O-N 3.08Å; L665-D669 WeakPolarHBondContact CA-OD2 3.44Å; L665-D669 HydrophobicContact CB-CB 4.12Å; L665-D669 HydrophobicContact CD2-CB 4.08Å; L665-V671 HydrophobicContact CD1-CG2 3.81Å; L665-V671 HydrophobicContact CD2-CG2 3.76Å; L665-V671 HydrophobicContact CG-CG2 4.47Å
666R96.8Very high97.2Very high186 Ų18650.1 Ų50.170%0.70227%0.271SS*.  trans-90.6157.2164.7-75.1-178.9-81.1-146.5-5.1110C612 N668 D669C612-R666 WeakPolarHBondContact CB-O 3.38Å; C612-R666 PolarHBondContact SG-O 3.39Å; R666-N668 PolarHBondContact O-N 3.42Å; R666-D669 PolarHBondContact N-OD2 3.33Å; R666-D669 VanDerWaalsContact O-CB 3.25Å; R666-D669 WeakPolarHBondContact O-CB 3.28Å; R666-D669 PolarHBondContact O-N 3.24Å
667P94.5Very high97Very high75 Ų7545.9 Ų45.949%0.48725%0.254SS..THydrogen-bonded Turntrans-51134.4172.2-25.234000111.3D669P667-D669 VanDerWaalsContact C-N 3.29Å; P667-D669 PolarHBondContact O-N 3.21Å
668N95.8Very high96.8Very high126 Ų12650.6 Ų50.667%0.67428%0.278SS*.THydrogen-bonded Turntrans70.21.9-172.3-44-75.1000117C612 R666 Q670C612-N668 PolarHBondContact O-N 3.2Å; R666-N668 PolarHBondContact O-N 3.42Å; N668-Q670 PolarHBondContact O-N 3.37Å
669D97.8Very high96.5Very high14 Ų1455 Ų558%0.07529%0.29CS..  trans-59.2136.7166.3-82.3-11.7000109.4C612 K637 N638 L665 R666 P667C612-D669 HydrophobicContact CB-CB 4.3Å; C612-D669 VanDerWaalsContact CB-O 3.28Å; C612-D669 WeakPolarHBondContact CB-O 3.43Å; C612-D669 PolarHBondContact N-O 3.39Å; K637-D669 WeakPolarHBondContact CE-OD2 3.26Å; K637-D669 IonicContact NZ-OD2 3.16Å; K637-D669 PolarHBondContact NZ-OD2 3.29Å; N638-D669 PolarHBondContact ND2-OD1 3.35Å; N638-D669 WeakPolarHBondContact OD1-CA 3.41Å; L665-D669 WeakPolarHBondContact CA-OD2 3.44Å; L665-D669 HydrophobicContact CB-CB 4.12Å; L665-D669 HydrophobicContact CD2-CB 4.08Å; R666-D669 PolarHBondContact N-OD2 3.33Å; R666-D669 VanDerWaalsContact O-CB 3.25Å; R666-D669 WeakPolarHBondContact O-CB 3.28Å; R666-D669 PolarHBondContact O-N 3.24Å; P667-D669 VanDerWaalsContact C-N 3.29Å; P667-D669 PolarHBondContact O-N 3.21Å
670Q98.3Very high96.4Very high77 Ų7754.7 Ų54.736%0.3629%0.287SS..EExtended strand (participates in β ladder)trans-106.1135.7-177.9-70.9-176.7-13.500111.5I609 F610 T611 K637 N638 N668 W672I609-Q670 HydrophobicContact CG2-CB 3.84Å; I609-Q670 HydrophobicContact CG2-CG 3.99Å; F610-Q670 CarbonylContact O-C 3.45Å; F610-Q670 VanDerWaalsContact O-CA 3.28Å; F610-Q670 WeakPolarHBondContact O-CA 3.23Å; T611-Q670 HydrophobicContact CG2-CG 4.43Å; K637-Q670 CarbonylContact C-O 3.52Å; K637-Q670 WeakPolarHBondContact CA-O 3.49Å; N638-Q670 PolarHBondContact N-O 2.84Å; N638-Q670 PolarHBondContact OD1-N 3.47Å; N638-Q670 PolarHBondContact OD1-O 3.08Å; N668-Q670 PolarHBondContact O-N 3.37Å; Q670-W672 HydrophobicContact CB-CE3 4.25Å; Q670-W672 HydrophobicContact CB-CZ3 3.89Å
671V98.5Very high96.4Very high0 Ų055.5 Ų55.50%028%0.284CS..EExtended strand (participates in β ladder)trans-130.8134.1178-176.40000110.5F610 F620 L635 Y636 K637 L663 L665 F693F610-V671 WeakPolarHBondContact CB-O 3.32Å; F610-V671 HydrophobicContact CD1-CB 4.39Å; F610-V671 PolarHBondContact N-O 3.4Å; F610-V671 PolarHBondContact O-N 3.33Å; F620-V671 HydrophobicContact CD1-CG1 3.83Å; F620-V671 HydrophobicContact CD2-CG1 4.19Å; F620-V671 HydrophobicContact CE1-CB 3.88Å; F620-V671 HydrophobicContact CE1-CG1 3.7Å; F620-V671 HydrophobicContact CE1-CG2 4.36Å; F620-V671 HydrophobicContact CE2-CB 4.33Å; F620-V671 HydrophobicContact CE2-CG1 4.08Å; F620-V671 HydrophobicContact CE2-CG2 3.98Å; F620-V671 HydrophobicContact CG-CG1 4.08Å; F620-V671 HydrophobicContact CZ-CB 3.79Å; F620-V671 HydrophobicContact CZ-CG1 3.85Å; F620-V671 HydrophobicContact CZ-CG2 3.75Å; L635-V671 HydrophobicContact CD1-CG1 3.77Å; L635-V671 HydrophobicContact CG-CG1 4.17Å; Y636-V671 VanDerWaalsContact O-CA 3.23Å; Y636-V671 WeakPolarHBondContact O-CA 3.4Å; Y636-V671 WeakPolarHBondContact O-CG1 3.35Å; K637-V671 HydrophobicContact CB-CG2 4.5Å; K637-V671 HydrophobicContact CG-CG2 4.36Å; L663-V671 HydrophobicContact CD1-CG1 4.07Å; L663-V671 HydrophobicContact CD1-CG2 4.14Å; L665-V671 HydrophobicContact CD1-CG2 3.81Å; L665-V671 HydrophobicContact CD2-CG2 3.76Å; L665-V671 HydrophobicContact CG-CG2 4.47Å; V671-F693 HydrophobicContact CG1-CZ 4.31Å
672W98.6Very high96.3Very high10 Ų1054.7 Ų54.74%0.03828%0.277CS..EExtended strand (participates in β ladder)trans-152.9167.1177.16695.4000112P589 G608 I609 Y636 N639 Q670P589-W672 HydrophobicContact CB-CB 4.2Å; P589-W672 HydrophobicContact CB-CG 3.99Å; P589-W672 HydrophobicContact CG-CD2 4.48Å; P589-W672 HydrophobicContact CG-CG 4.1Å; G608-W672 WeakPolarHBondContact O-CB 3.22Å; I609-W672 HydrophobicContact CG1-CB 4.13Å; I609-W672 HydrophobicContact CG1-CG 4.46Å; I609-W672 HydrophobicContact CG2-CE3 4.29Å; Y636-W672 VanDerWaalsContact CB-CE2 3.48Å; Y636-W672 HydrophobicContact CD1-CZ2 4.45Å; Y636-W672 AromaticContact CD2-NE1 3.78Å; Y636-W672 AromaticContact CG-CE2 3.96Å; Y636-W672 HydrophobicContact CG-CZ2 4.17Å; Y636-W672 AromaticContact CG-NE1 3.83Å; Y636-W672 PolarHBondContact N-O 3.37Å; Y636-W672 PolarHBondContact O-N 3.06Å; Y636-W672 VanDerWaalsContact O-N 3.11Å; N639-W672 HydrophobicContact CB-CH2 4.28Å; N639-W672 WeakPolarHBondContact OD1-CH2 3.35Å; Q670-W672 HydrophobicContact CB-CE3 4.25Å; Q670-W672 HydrophobicContact CB-CZ3 3.89Å
673V98.4Very high96.3Very high0 Ų050.4 Ų50.40%025%0.251CS..EExtended strand (participates in β ladder)trans-105136.8172.8175.30000108.8V590 F592 Y622 V633 A634 L635 F693V590-V673 PolarHBondContact N-O 2.79Å; F592-V673 HydrophobicContact CE2-CB 4.03Å; F592-V673 HydrophobicContact CE2-CG1 4.41Å; F592-V673 HydrophobicContact CZ-CB 4.45Å; F592-V673 HydrophobicContact CZ-CG1 4.41Å; Y622-V673 HydrophobicContact CD1-CG2 3.93Å; Y622-V673 HydrophobicContact CG-CG2 4.12Å; V633-V673 HydrophobicContact CG1-CG1 3.23Å; A634-V673 WeakPolarHBondContact O-CA 3.41Å; L635-V673 HydrophobicContact CD1-CG2 3.83Å; V673-F693 HydrophobicContact CG2-CD1 4.11Å; V673-F693 HydrophobicContact CG2-CD2 3.57Å; V673-F693 HydrophobicContact CG2-CE1 4.18Å; V673-F693 HydrophobicContact CG2-CE2 3.64Å; V673-F693 HydrophobicContact CG2-CG 3.83Å; V673-F693 HydrophobicContact CG2-CZ 3.95Å
674Q97.6Very high96.3Very high26 Ų2651 Ų5112%0.12125%0.253CS..EExtended strand (participates in β ladder)trans-148.2147.1-178.9159.5172.6-11.900111G587 M588 A634 Y636 P676G587-Q674 PolarHBondContact O-NE2 2.8Å; G587-Q674 VanDerWaalsContact O-NE2 3.11Å; M588-Q674 WeakPolarHBondContact O-CB 3.35Å; M588-Q674 WeakPolarHBondContact O-CG 3.41Å; A634-Q674 PolarHBondContact N-O 2.77Å; A634-Q674 PolarHBondContact O-N 3.21Å; Y636-Q674 HydrophobicContact CD2-CB 3.83Å; Y636-Q674 HydrophobicContact CD2-CG 4.42Å; Y636-Q674 HydrophobicContact CE2-CB 3.69Å; Y636-Q674 HydrophobicContact CE2-CG 3.83Å; Q674-P676 WeakPolarHBondContact O-CD 3.46Å
675M97.3Very high96.3Very high0 Ų044.8 Ų44.80%022%0.224CC..  trans-91116.2169.4-62.9178.5-60.800109.3P584 G587 V631 W632 V633 S677 N681 L683P584-M675 HydrophobicContact CG-CE 3.81Å; P584-M675 WeakPolarHBondContact O-CE 3.49Å; G587-M675 PolarHBondContact N-O 3.46Å; V631-M675 HydrophobicContact CG2-SD 4.21Å; W632-M675 VanDerWaalsContact O-CA 3.31Å; W632-M675 WeakPolarHBondContact O-CA 3.45Å; W632-M675 WeakPolarHBondContact O-CB 3.46Å; V633-M675 HydrophobicContact CG2-CG 4.38Å; M675-S677 VanDerWaalsContact C-N 3.31Å; M675-S677 PolarHBondContact O-N 2.94Å; M675-N681 HydrophobicContact CE-CB 4.13Å; M675-N681 HydrophobicContact SD-CB 4.2Å; M675-L683 HydrophobicContact CE-CB 4.28Å; M675-L683 HydrophobicContact CG-CD1 4.43Å; M675-L683 HydrophobicContact SD-CB 3.45Å; M675-L683 WeakPolarHBondContact SD-CB 3.3Å; M675-L683 HydrophobicContact SD-CD1 4.05Å; M675-L683 HydrophobicContact SD-CG 4.41Å
676P94.8Very high96.2Very high39 Ų3946.1 Ų46.125%0.25323%0.232SC..  trans-73.9-19.4-174.1-17.131.6000114.3W632 A634 Q674W632-P676 HydrophobicContact CD2-CB 4.41Å; W632-P676 HydrophobicContact CD2-CG 4.02Å; W632-P676 HydrophobicContact CE3-CB 3.97Å; W632-P676 HydrophobicContact CE3-CG 4.09Å; W632-P676 HydrophobicContact CH2-CB 3.9Å; W632-P676 HydrophobicContact CH2-CG 4.17Å; W632-P676 HydrophobicContact CZ2-CB 4.34Å; W632-P676 HydrophobicContact CZ2-CG 4.1Å; W632-P676 HydrophobicContact CZ3-CB 3.71Å; W632-P676 HydrophobicContact CZ3-CG 4.18Å; W632-P676 VanDerWaalsContact O-CD 3.23Å; W632-P676 WeakPolarHBondContact O-CD 3.35Å; A634-P676 HydrophobicContact CB-CG 3.93Å; Q674-P676 WeakPolarHBondContact O-CD 3.46Å
677S93.3Very high95.8Very high27 Ų2742.4 Ų42.419%0.18922%0.222CC..  trans-130.1148.7-177.2-179.20000111.9S586 M675 Q679S586-S677 WeakPolarHBondContact CB-O 3.3Å; M675-S677 VanDerWaalsContact C-N 3.31Å; M675-S677 PolarHBondContact O-N 2.94Å; S677-Q679 PolarHBondContact OG-N 2.95Å; S677-Q679 VanDerWaalsContact OG-N 3.11Å
678D92.3Very high95.6Very high107 Ų10748.5 Ų48.557%0.57224%0.237SC*.SBendtrans-75.4-24.6169.161.5-27000113.1S586 A680 N681S586-D678 WeakPolarHBondContact OG-CA 3.31Å; D678-A680 VanDerWaalsContact C-N 3.26Å; D678-A680 PolarHBondContact O-N 3.42Å; D678-N681 PolarHBondContact O-ND2 3.28Å; D678-N681 PolarHBondContact O-OD1 2.77Å
679Q91.6Very high95.5Very high164 Ų16444.9 Ų44.977%0.76622%0.217SC*.THydrogen-bonded Turntrans-70.3-22.2178-60.1-176.4-4.900113.2S677S677-Q679 PolarHBondContact OG-N 2.95Å; S677-Q679 VanDerWaalsContact OG-N 3.11Å
680A94.6Very high95.3Very high9 Ų947.9 Ų47.97%0.07423%0.231CC..THydrogen-bonded Turntrans-129.954.5-17700000110.9N630 V631 W632 D678N630-A680 HydrophobicContact CB-CB 4.49Å; N630-A680 CarbonylContact O-C 3.53Å; N630-A680 WeakPolarHBondContact O-CA 3.15Å; V631-A680 CarbonylContact C-O 3.55Å; V631-A680 WeakPolarHBondContact CA-O 3.41Å; W632-A680 HydrophobicContact CB-CB 3.57Å; W632-A680 PolarHBondContact N-O 3.22Å; D678-A680 VanDerWaalsContact C-N 3.26Å; D678-A680 PolarHBondContact O-N 3.42Å
681N96Very high95.3Very high46 Ų4644.2 Ų44.225%0.24621%0.214CC..EExtended strand (participates in β ladder)trans-10420.5-174.467.2-7.1000114.5T629 N630 M675 D678 L683T629-N681 PolarHBondContact OG1-OD1 3Å; N630-N681 PolarHBondContact O-N 3.45Å; M675-N681 HydrophobicContact CE-CB 4.13Å; M675-N681 HydrophobicContact SD-CB 4.2Å; D678-N681 PolarHBondContact O-ND2 3.28Å; D678-N681 PolarHBondContact O-OD1 2.77Å; N681-L683 PolarHBondContact O-N 3.33Å
682G96.7Very high95.3Very high0 Ų045.6 Ų45.60%022%0.223CC..EExtended strand (participates in β ladder)trans-69.320.8-172.500000117V626 K627 T629 N630 Y684V626-G682 WeakPolarHBondContact CA-O 3.34Å; K627-G682 PolarHBondContact N-O 2.94Å; K627-G682 WeakPolarHBondContact O-CA 3.46Å; T629-G682 WeakPolarHBondContact O-CA 3.28Å; T629-G682 WeakPolarHBondContact OG1-CA 3.21Å; T629-G682 PolarHBondContact OG1-N 2.68Å; T629-G682 VanDerWaalsContact OG1-N 3.15Å; N630-G682 PolarHBondContact O-N 2.79Å; G682-Y684 PolarHBondContact O-N 3.48Å
683L97.8Very high95.3Very high0 Ų045.1 Ų45.10%022%0.221CC..EExtended strand (participates in β ladder)trans-68.2113.6179.7-165.9171.5000109.3L579 F583 P584 V590 V624 V631 V633 M675 N681L579-L683 HydrophobicContact CD2-CD2 3.41Å; L579-L683 VanDerWaalsContact CD2-CD2 3.41Å; F583-L683 WeakPolarHBondContact CA-O 3.42Å; F583-L683 PolarHBondContact N-O 2.82Å; P584-L683 WeakPolarHBondContact CD-O 3.18Å; P584-L683 HydrophobicContact CG-CB 4.38Å; P584-L683 HydrophobicContact CG-CD1 4.2Å; P584-L683 HydrophobicContact CG-CD2 4.11Å; P584-L683 HydrophobicContact CG-CG 4.46Å; V590-L683 HydrophobicContact CG1-CD1 4.3Å; V590-L683 HydrophobicContact CG2-CD1 4.15Å; V624-L683 HydrophobicContact CB-CG 4.12Å; V624-L683 HydrophobicContact CG1-CD1 3.89Å; V624-L683 HydrophobicContact CG1-CD2 4.48Å; V624-L683 HydrophobicContact CG1-CG 3.93Å; V631-L683 HydrophobicContact CG2-CB 3.87Å; V633-L683 HydrophobicContact CG2-CD1 4.49Å; M675-L683 HydrophobicContact CE-CB 4.28Å; M675-L683 HydrophobicContact CG-CD1 4.43Å; M675-L683 HydrophobicContact SD-CB 3.45Å; M675-L683 WeakPolarHBondContact SD-CB 3.3Å; M675-L683 HydrophobicContact SD-CD1 4.05Å; M675-L683 HydrophobicContact SD-CG 4.41Å; N681-L683 PolarHBondContact O-N 3.33Å
684Y97.7Very high95.3Very high32 Ų3246 Ų4613%0.12523%0.228CC..EExtended strand (participates in β ladder)trans-110.2140.3-174.6-172.8-111.1000111.4P582 F583 H625 K627 L654 G682 T686 I689 S691P582-Y684 HydrophobicContact CB-CD2 3.62Å; P582-Y684 HydrophobicContact CB-CE2 3.74Å; F583-Y684 HydrophobicContact CE1-CD2 4.09Å; F583-Y684 HydrophobicContact CE2-CD2 4.15Å; F583-Y684 HydrophobicContact CE2-CE2 4.38Å; F583-Y684 AromaticContact CZ-CD2 3.69Å; F583-Y684 HydrophobicContact CZ-CD2 3.69Å; F583-Y684 HydrophobicContact CZ-CE2 4.22Å; H625-Y684 PolarHBondContact O-N 3.31Å; K627-Y684 HydrophobicContact CB-CD1 4.21Å; K627-Y684 HydrophobicContact CB-CD2 4.03Å; K627-Y684 HydrophobicContact CB-CG 3.69Å; K627-Y684 HydrophobicContact CD-CD1 3.8Å; K627-Y684 HydrophobicContact CD-CD2 3.65Å; K627-Y684 HydrophobicContact CD-CE1 3.72Å; K627-Y684 HydrophobicContact CD-CE2 3.6Å; K627-Y684 HydrophobicContact CD-CG 3.74Å; K627-Y684 HydrophobicContact CG-CD2 4.47Å; K627-Y684 HydrophobicContact CG-CG 4.39Å; K627-Y684 PolarHBondContact NZ-OH 3.22Å; K627-Y684 VanDerWaalsContact NZ-OH 3.09Å; L654-Y684 HydrophobicContact CD1-CD1 3.77Å; L654-Y684 HydrophobicContact CD1-CE1 4.3Å; G682-Y684 PolarHBondContact O-N 3.48Å; Y684-T686 HydrophobicContact CE1-CG2 3.92Å; Y684-T686 HydrophobicContact CE2-CG2 4.21Å; Y684-T686 WeakPolarHBondContact OH-CG2 3.33Å; Y684-I689 HydrophobicContact CD1-CG2 4.14Å; Y684-I689 HydrophobicContact CE1-CD1 4.05Å; Y684-I689 HydrophobicContact CE1-CG2 4.33Å; Y684-S691 PolarHBondContact O-OG 3.4Å
685S97.2Very high95.3Very high0 Ų044.9 Ų44.90%022%0.223CC..  trans-156.9151.8172.8-148.20000110.6L579 S581 P582 I689 S691L579-S685 VanDerWaalsContact O-CB 3.26Å; L579-S685 WeakPolarHBondContact O-CB 3.43Å; L579-S685 PolarHBondContact O-OG 3.47Å; S581-S685 CarbonylContact C-O 3.47Å; P582-S685 WeakPolarHBondContact CA-O 3.08Å; P582-S685 WeakPolarHBondContact CB-O 3.49Å; P582-S685 WeakPolarHBondContact CD-O 3.42Å; P582-S685 VanDerWaalsContact N-O 3.12Å; S685-I689 CarbonylContact C-O 3.55Å; S685-I689 WeakPolarHBondContact CA-O 3.42Å; S685-I689 PolarHBondContact OG-O 2.93Å; S685-I689 VanDerWaalsContact OG-O 3.13Å; S685-S691 PolarHBondContact OG-N 2.97Å
686T94.1Very high95.2Very high30 Ų3049 Ų4918%0.18424%0.241CC..  trans-148.7-177.7175.370.60000110Y684 Y688 I689 H690Y684-T686 HydrophobicContact CE1-CG2 3.92Å; Y684-T686 HydrophobicContact CE2-CG2 4.21Å; Y684-T686 WeakPolarHBondContact OH-CG2 3.33Å; T686-Y688 PolarHBondContact O-N 3.12Å; T686-Y688 PolarHBondContact OG1-N 3.15Å; T686-Y688 VanDerWaalsContact OG1-N 3.13Å; T686-I689 PolarHBondContact N-O 2.78Å; T686-I689 PolarHBondContact OG1-N 3.13Å; T686-I689 VanDerWaalsContact OG1-N 3.12Å; T686-H690 PolarHBondContact O-ND1 3.47Å; T686-H690 VanDerWaalsContact O-ND1 3.08Å
687E89.1Confident95.3Very high108 Ų10848.2 Ų48.251%0.50523%0.234SC..SBendtrans-64.7-13.9170.7-174.5153-126.200114.4R594 H690R594-E687 IonicContact CZ-OE1 3.7Å; R594-E687 IonicContact NH1-OE1 2.84Å; R594-E687 IonicContact NH2-OE1 3.93Å; R594-E687 PolarHBondContact NH2-OE1 3.13Å; R594-E687 VanDerWaalsContact NH2-OE1 3.16Å; E687-H690 PolarHBondContact O-CE1 3.39Å
688Y90.3Very high95.3Very high203 Ų20351.4 Ų51.480%0.79625%0.249SC*.SBendtrans-118.7-11.1180-52.7-64.6000114.3T686T686-Y688 PolarHBondContact O-N 3.12Å; T686-Y688 PolarHBondContact OG1-N 3.15Å; T686-Y688 VanDerWaalsContact OG1-N 3.13Å
689I94.1Very high95.2Very high51 Ų5149.6 Ų49.626%0.26224%0.244SC..SBendtrans-132.6104.3-176-66.7172.3000106.1H625 L654 Y684 S685 T686H625-I689 HydrophobicContact CB-CG2 3.96Å; H625-I689 WeakPolarHBondContact CD2-CG2 3.4Å; H625-I689 VanDerWaalsContact CG-CG2 3.41Å; L654-I689 HydrophobicContact CD2-CD1 4.06Å; L654-I689 HydrophobicContact CD2-CG2 4.16Å; Y684-I689 HydrophobicContact CD1-CG2 4.14Å; Y684-I689 HydrophobicContact CE1-CD1 4.05Å; Y684-I689 HydrophobicContact CE1-CG2 4.33Å; S685-I689 CarbonylContact C-O 3.55Å; S685-I689 WeakPolarHBondContact CA-O 3.42Å; S685-I689 PolarHBondContact OG-O 2.93Å; S685-I689 VanDerWaalsContact OG-O 3.13Å; T686-I689 PolarHBondContact N-O 2.78Å; T686-I689 PolarHBondContact OG1-N 3.13Å; T686-I689 VanDerWaalsContact OG1-N 3.12Å
690H93.7Very high95.1Very high77 Ų7746 Ų4636%0.35623%0.234SC..  trans-104.2112.8-166.7-61.2-40.2000112.5V578 H625 T686 E687V578-H690 HydrophobicContact CB-CB 4.39Å; V578-H690 HydrophobicContact CG1-CB 4.26Å; H625-H690 PolarHBondContact CD2-O 3.45Å; T686-H690 PolarHBondContact O-ND1 3.47Å; T686-H690 VanDerWaalsContact O-ND1 3.08Å; E687-H690 PolarHBondContact O-CE1 3.39Å
691S98.1Very high94.5Very high0 Ų051.9 Ų51.90%027%0.27CS..  trans-76.4131.2154.6-69.30000109.3V578 L579 H623 V624 H625 Y684 S685V578-S691 WeakPolarHBondContact CA-O 3.05Å; L579-S691 PolarHBondContact N-O 2.79Å; H623-S691 CarbonylContact O-C 3.47Å; H623-S691 VanDerWaalsContact O-CA 3.22Å; H623-S691 WeakPolarHBondContact O-CA 3.48Å; V624-S691 WeakPolarHBondContact CA-OG 3.38Å; H625-S691 PolarHBondContact N-OG 2.96Å; Y684-S691 PolarHBondContact O-OG 3.4Å; S685-S691 PolarHBondContact OG-N 2.97Å
692S98.2Very high94.5Very high28 Ų2852.2 Ų52.220%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-130.6155.3-173.467.10000112.9A577 F592 Y622 H623A577-S692 CarbonylContact O-C 3.53Å; A577-S692 VanDerWaalsContact O-CA 3.32Å; A577-S692 WeakPolarHBondContact O-CA 3.5Å; F592-S692 VanDerWaalsContact CE1-C 3.47Å; Y622-S692 VanDerWaalsContact CA-O 3.26Å; Y622-S692 WeakPolarHBondContact CA-O 3.24Å; Y622-S692 WeakPolarHBondContact CB-O 3.2Å; H623-S692 PolarHBondContact N-O 3.41Å; H623-S692 PolarHBondContact O-N 3.43Å
693F98.6Very high94.3Very high0 Ų054.9 Ų54.90%029%0.285CS..EExtended strand (participates in β ladder)trans-138.2130.2171.7176.9-139.3000109.4F575 A577 F592 Y603 F620 L635 V671 V673F575-F693 AromaticContact CE2-CD1 3.67Å; F575-F693 HydrophobicContact CE2-CD1 3.67Å; F575-F693 AromaticContact CE2-CE1 3.85Å; F575-F693 HydrophobicContact CE2-CE1 3.85Å; F575-F693 HydrophobicContact CE2-CG 4.08Å; F575-F693 HydrophobicContact CE2-CZ 4.39Å; F575-F693 AromaticContact CZ-CD1 3.88Å; F575-F693 HydrophobicContact CZ-CD1 3.88Å; F575-F693 HydrophobicContact CZ-CD2 4.45Å; F575-F693 AromaticContact CZ-CE1 3.58Å; F575-F693 HydrophobicContact CZ-CE1 3.58Å; F575-F693 HydrophobicContact CZ-CE2 4.19Å; F575-F693 HydrophobicContact CZ-CG 4.3Å; F575-F693 AromaticContact CZ-CZ 3.75Å; F575-F693 HydrophobicContact CZ-CZ 3.75Å; A577-F693 PolarHBondContact N-O 2.92Å; A577-F693 PolarHBondContact O-N 3.05Å; F592-F693 HydrophobicContact CD1-CB 3.95Å; F592-F693 HydrophobicContact CD2-CB 3.65Å; F592-F693 HydrophobicContact CD2-CD1 4.13Å; F592-F693 HydrophobicContact CD2-CG 4.33Å; F592-F693 HydrophobicContact CE1-CB 3.87Å; F592-F693 HydrophobicContact CE2-CB 3.57Å; F592-F693 HydrophobicContact CE2-CD1 4.22Å; F592-F693 HydrophobicContact CE2-CG 4.19Å; F592-F693 HydrophobicContact CG-CB 3.87Å; F592-F693 HydrophobicContact CZ-CB 3.69Å; Y603-F693 HydrophobicContact CE2-CD1 4.18Å; Y603-F693 HydrophobicContact CE2-CE1 4.4Å; F620-F693 HydrophobicContact CB-CE2 4.28Å; F620-F693 AromaticContact CD1-CE2 3.84Å; F620-F693 HydrophobicContact CD1-CE2 3.84Å; F620-F693 AromaticContact CD1-CZ 3.8Å; F620-F693 HydrophobicContact CD1-CZ 3.8Å; F620-F693 HydrophobicContact CE1-CZ 4.35Å; L635-F693 HydrophobicContact CD1-CE2 3.68Å; L635-F693 HydrophobicContact CD1-CZ 3.89Å; V671-F693 HydrophobicContact CG1-CZ 4.31Å; V673-F693 HydrophobicContact CG2-CD1 4.11Å; V673-F693 HydrophobicContact CG2-CD2 3.57Å; V673-F693 HydrophobicContact CG2-CE1 4.18Å; V673-F693 HydrophobicContact CG2-CE2 3.64Å; V673-F693 HydrophobicContact CG2-CG 3.83Å; V673-F693 HydrophobicContact CG2-CZ 3.95Å
694S98.3Very high94.1Very high20 Ų2058 Ų5814%0.1430%0.301CS..EExtended strand (participates in β ladder)trans-135151.9-176.4-61.80000110.4F575 T576 F620 A621F575-S694 VanDerWaalsContact O-CA 3.3Å; F575-S694 WeakPolarHBondContact O-CA 3.39Å; T576-S694 WeakPolarHBondContact CB-OG 3.38Å; T576-S694 WeakPolarHBondContact CG2-OG 3.48Å; T576-S694 WeakPolarHBondContact OG1-CB 3.34Å; T576-S694 PolarHBondContact OG1-OG 3.48Å; F620-S694 WeakPolarHBondContact CA-O 3.18Å; A621-S694 PolarHBondContact N-O 2.79Å; A621-S694 PolarHBondContact O-N 3.29Å; A621-S694 VanDerWaalsContact O-O 3.09Å
695G97.5Very high93.9Very high1 Ų159.5 Ų59.51%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-157.9148.7168.200000111.7A574 F575 Y619A574-G695 CarbonylContact C-O 3.49Å; A574-G695 WeakPolarHBondContact CA-O 3.2Å; F575-G695 WeakPolarHBondContact CD1-O 3.28Å; F575-G695 PolarHBondContact N-O 3.4Å; F575-G695 PolarHBondContact O-N 3.36Å; F575-G695 VanDerWaalsContact O-N 3.09Å; Y619-G695 CarbonylContact O-C 3.49Å; Y619-G695 WeakPolarHBondContact O-CA 3.49Å
696F96.3Very high93.7Very high87 Ų8763.3 Ų63.338%0.38233%0.331SS..EExtended strand (participates in β ladder)trans-149.3150.8179.360.8-89.4000112.4P573 A574 Y618 Y619 L698P573-F696 WeakPolarHBondContact O-CA 3.46Å; A574-F696 HydrophobicContact CB-CB 3.51Å; Y618-F696 CarbonylContact C-O 3.48Å; Y618-F696 VanDerWaalsContact CA-O 3.3Å; Y618-F696 WeakPolarHBondContact CA-O 3.25Å; Y619-F696 HydrophobicContact CD1-CD1 4.47Å; Y619-F696 AromaticContact CD1-CE1 3.63Å; Y619-F696 HydrophobicContact CD1-CE1 3.63Å; Y619-F696 AromaticContact CD1-CZ 3.86Å; Y619-F696 HydrophobicContact CD1-CZ 3.86Å; Y619-F696 HydrophobicContact CE1-CE1 4.5Å; Y619-F696 HydrophobicContact CG-CE1 4.46Å; Y619-F696 HydrophobicContact CG-CZ 4.44Å; Y619-F696 PolarHBondContact N-O 2.91Å; Y619-F696 PolarHBondContact O-N 3.45Å; F696-L698 HydrophobicContact CD2-CD2 4.24Å; F696-L698 HydrophobicContact CE2-CD2 3.55Å; F696-L698 HydrophobicContact CE2-CG 4.33Å; F696-L698 HydrophobicContact CZ-CD2 4.33Å; F696-L698 PolarHBondContact O-N 3.41Å
697L95.5Very high93.7Very high22 Ų2265.5 Ų65.512%0.11534%0.341CS..EExtended strand (participates in β ladder)trans-67.8123.4173.2-178.767.7000110.2P573 Y618 P700P573-L697 HydrophobicContact CG-CD2 4.46Å; P573-L697 PolarHBondContact O-N 3.42Å; Y618-L697 HydrophobicContact CD1-CB 4.17Å; Y618-L697 HydrophobicContact CD2-CD1 4Å; Y618-L697 HydrophobicContact CE1-CB 3.78Å; Y618-L697 HydrophobicContact CE1-CD1 4.21Å; Y618-L697 HydrophobicContact CE2-CD1 3.58Å; Y618-L697 HydrophobicContact CG-CD1 4.48Å; L697-P700 HydrophobicContact CD2-CB 4.23Å
698L93.2Very high94Very high95 Ų9562.4 Ų62.450%0.49733%0.329SS..EExtended strand (participates in β ladder)trans-86.9-45.3169.7-70.8172.1000111.5V617 V662 F696V617-L698 HydrophobicContact CG1-CD1 4.25Å; V617-L698 WeakPolarHBondContact O-CA 3.26Å; V617-L698 WeakPolarHBondContact O-CB 3.28Å; V617-L698 PolarHBondContact O-N 2.84Å; V662-L698 HydrophobicContact CG1-CD1 4.22Å; V662-L698 HydrophobicContact CG2-CD1 4.28Å; F696-L698 HydrophobicContact CD2-CD2 4.24Å; F696-L698 HydrophobicContact CE2-CD2 3.55Å; F696-L698 HydrophobicContact CE2-CG 4.33Å; F696-L698 HydrophobicContact CZ-CD2 4.33Å; F696-L698 PolarHBondContact O-N 3.41Å
699C91.3Very high94.3Very high69 Ų6951.6 Ų51.647%0.46629%0.293SS..EExtended strand (participates in β ladder)trans-151.8119.7-174.2-174.60000110G616 V617G616-C699 CarbonylContact C-O 3.51Å; G616-C699 WeakPolarHBondContact CA-O 3.38Å; V617-C699 HydrophobicContact CB-CB 4.42Å; V617-C699 PolarHBondContact N-O 3Å; V617-C699 PolarHBondContact O-N 2.94Å
700P89.9Confident94.4Very high87 Ų8751.7 Ų51.757%0.56530%0.296SS*.EExtended strand (participates in β ladder)trans-67.3152.1172.229.1-33.4000111.3L697L697-P700 HydrophobicContact CD2-CB 4.23Å
701T81.8Confident94.4Very high134 Ų13449.4 Ų49.482%0.82229%0.29SS*.  trans-136.30179.160.30000111.9G615 G616G615-T701 PolarHBondContact O-N 2.89Å; G616-T701 WeakPolarHBondContact CA-OG1 3.48Å; G616-T701 PolarHBondContact N-OG1 2.82Å

Retrieved 701 of 701 residues in 147.8 ms (Link to these results)