A0A087WYX9_HUMAN Loading...

Collagen type V alpha 2 chain

AlphaFold DB , UniProt , Accession A0A087WYX9, Species HUMAN (Homo sapiens, Human), Gene COL5A2, Length 1,112 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.2Very low43Very low231 Ų231134.5 Ų134.5100%1.13885%0.845SS**  0146.80-75.7-57.2-165.400109
2P40.2Very low43.1Very low126 Ų126129 Ų12982%0.81883%0.833SS**  trans-68.3159.516233.2-35.1000110.2
3G38Very low44.3Very low76 Ų76128.9 Ų128.978%0.78483%0.832SS**  trans-177.5105.6-179.500000114.2
4S38.7Very low44.1Very low122 Ų122134.4 Ų134.485%0.85384%0.842SS**  trans-37.7148.3170.747.10000118
5V51.8Low43.9Very low146 Ų146130.3 Ų130.389%0.88584%0.835SS**  trans-61.4144.2167.4-179.40000112.2
6G42.1Very low44.2Very low62 Ų62133.5 Ų133.564%0.63984%0.843SS**  trans-120.5151162.500000110.9
7P47.1Very low44Very low133 Ų133137.5 Ų137.586%0.86485%0.848SS**PPolyproline II helixtrans-89.9163.3-153.534.3-37.9000116.9
8V49.7Very low44Very low142 Ų142133.8 Ų133.886%0.86184%0.842SS**PPolyproline II helixtrans-77.9138.7177.4173.30000112.1
9G41.2Very low44.1Very low65 Ų65137.7 Ų137.767%0.6785%0.849SS**PPolyproline II helixtrans-90143.5167.600000112.7
10P50.3Low44.1Very low131 Ų131140.8 Ų140.885%0.85185%0.853SS**PPolyproline II helixtrans-91.5162-168.836.2-37.4000114.5
11R41.1Very low44Very low246 Ų246137.6 Ų137.693%0.92885%0.848SS**  trans-145106.4158.1-171.2169.7-179.9160.61114.5
12G44.2Very low44.5Very low68 Ų68130.7 Ų130.770%0.70184%0.837SS**  53.7112.412300000120.6
13P58.5Low44.7Very low128 Ų128129.6 Ų129.683%0.83184%0.838SS**  trans-95.5150.9174.737.3-34000114.5
14Q41.9Very low45.2Very low206 Ų206128.9 Ų128.996%0.96383%0.83SS**  trans178160.1154.2-103.1167.27.700107.8
15G40.3Very low45.6Very low72 Ų72129.7 Ų129.774%0.74283%0.833SS**  cis-177.5161.9-1.400000109.7
16L48.3Very low45.3Very low182 Ų182129.4 Ų129.495%0.95383%0.832SS**  trans-87.3140.4-170-72.9166.6000115.1
17Q41.3Very low45.6Very low201 Ų201129 Ų12994%0.93983%0.828SS**  trans-166.5157.1149.1-1061756.300107.9
18G44.7Very low45.9Very low71 Ų71128.8 Ų128.873%0.73283%0.826SS**  cis-180150-4.200000108.4
19Q46.2Very low46.1Very low209 Ų209127.8 Ų127.898%0.97782%0.823SS**  trans-72.8148.1-173.5-70.5-176.6-0.400113.8
20Q42.8Very low46.4Very low199 Ų199128 Ų12893%0.9383%0.825SS**  trans-138.6147.4148.2-162.1173.115.900107.7
21G42.7Very low46.2Very low73 Ų73130.8 Ų130.875%0.75383%0.827SS**  trans-155.4172.9-174.200000114.1
22G44.2Very low46.8Very low87 Ų87124.9 Ų124.990%0.89782%0.821SS**  trans9087.116900000115.8
23A44.5Very low47Very low102 Ų102125.1 Ų125.184%0.84382%0.823SS**  trans-121.7140.4148.100000107.7
24G48.1Very low46.4Very low61 Ų61126.6 Ų126.663%0.62982%0.824SS**PPolyproline II helixtrans-73159.3-168.200000114.6T26G24-T26 PolarHBondContact O-N 3.48Å
25P47.8Very low47.2Very low140 Ų140122.4 Ų122.491%0.90981%0.814SS**PPolyproline II helixtrans-65.6118.2177.528-34.1000110.7
26T44.9Very low48Very low140 Ų140122 Ų12286%0.85981%0.81SS**PPolyproline II helixtrans-91.1141.3162-54.30000107.8G24G24-T26 PolarHBondContact O-N 3.48Å
27G48.8Very low48.2Very low54 Ų54119.7 Ų119.756%0.55781%0.806SS**PPolyproline II helixtrans-61159.9-166.600000115
28P53.2Low48.7Very low127 Ų127117.4 Ų117.483%0.82580%0.797SS**PPolyproline II helixtrans-60.2129.6-179.625.8-34.1000110.8
29P53.4Low49.6Very low121 Ų121116.6 Ų116.679%0.78679%0.789SS**PPolyproline II helixtrans-55.5137.8159.3-20.833.4000109
30G48.3Very low50Low71 Ų71113 Ų11373%0.73278%0.784SS**PPolyproline II helixtrans-57.9144.5-178.800000112
31E46Very low51Low188 Ų188110 Ų11088%0.87977%0.773SS**PPolyproline II helixtrans-56.9129.9-179.7-67.8179.5122.900110.6G33E31-G33 PolarHBondContact O-N 3.21Å
32P51.9Low51.5Low123 Ų123109.8 Ų109.880%0.79977%0.77SS**PPolyproline II helixtrans-58.5120.5165.8-19.732.1000108.1D34P32-D34 PolarHBondContact O-N 3.17Å
33G48.3Very low51.8Low72 Ų72111.3 Ų111.374%0.74277%0.767SS**PPolyproline II helixtrans-55.1135.9-177.300000111.7E31E31-G33 PolarHBondContact O-N 3.21Å
34D46.6Very low52.7Low160 Ų160117 Ų11786%0.85677%0.767SS**PPolyproline II helixtrans-47.7125.4-171.8-78.3-59.3000112.3P32 G36P32-D34 PolarHBondContact O-N 3.17Å; D34-G36 PolarHBondContact O-N 3.37Å
35P58.7Low53.5Low118 Ų118116.6 Ų116.677%0.76676%0.763SS**PPolyproline II helixtrans-55.9123.7166.9-23.434000109.5
36G57.7Low53.9Low64 Ų64116.2 Ų116.266%0.6676%0.76SS**PPolyproline II helixtrans-51.4140178.200000111D34 M38D34-G36 PolarHBondContact O-N 3.37Å; G36-M38 PolarHBondContact O-N 3.41Å
37P53Low54.9Low133 Ų133117.6 Ų117.686%0.86476%0.757SS**  trans-56115.3-163.120-33000111.7G39P37-G39 PolarHBondContact O-N 3.49Å
38M51.3Low55.6Low152 Ų152117.7 Ų117.775%0.74976%0.758SS**PPolyproline II helixtrans-58.4129.8174.5-176.2173.76400109.1G36 I41G36-M38 PolarHBondContact O-N 3.41Å; M38-I41 HydrophobicContact CE-CD1 3.76Å; M38-I41 HydrophobicContact CE-CG1 4.16Å
39G62.8Low55.6Low54 Ų54117.4 Ų117.456%0.55776%0.756SS**PPolyproline II helixtrans-54.7145.9177.400000111.3P37 I41P37-G39 PolarHBondContact O-N 3.49Å; G39-I41 PolarHBondContact O-N 2.65Å; G39-I41 VanDerWaalsContact O-N 3.16Å
40P55.3Low56.1Low134 Ų134117.9 Ų117.987%0.8776%0.759SS**PPolyproline II helixtrans-58.1122.7-171.822.8-33.5000111.1G42P40-G42 PolarHBondContact O-N 2.67Å
41I62.9Low56.5Low136 Ų136118 Ų11870%0.69776%0.76SS**PPolyproline II helixtrans-61.3125.5170.6-66.9175000107.6M38 G39 S43M38-I41 HydrophobicContact CE-CD1 3.76Å; M38-I41 HydrophobicContact CE-CG1 4.16Å; G39-I41 PolarHBondContact O-N 2.65Å; G39-I41 VanDerWaalsContact O-N 3.16Å; I41-S43 PolarHBondContact O-N 2.85Å
42G54.5Low56.6Low68 Ų68118.7 Ų118.770%0.70176%0.761SS**PPolyproline II helixtrans-54.6130.1178.900000111.3P40 R44P40-G42 PolarHBondContact O-N 2.67Å; G42-R44 PolarHBondContact O-N 3.14Å
43S49.2Very low56.6Low119 Ų119119.1 Ų119.183%0.83276%0.763SS**PPolyproline II helixtrans-58.4119.7-177.9510000111.2I41 G45I41-S43 PolarHBondContact O-N 2.85Å; S43-G45 PolarHBondContact O-N 3.25Å
44R63.9Low56.6Low221 Ų221119 Ų11983%0.83476%0.763SS**PPolyproline II helixtrans-56.7125167.4177.4175.3171.3177.1-6.3108.4G42G42-R44 PolarHBondContact O-N 3.14Å
45G65.6Low56.4Low53 Ų53120.9 Ų120.955%0.54677%0.766SS.*PPolyproline II helixtrans-58.4153.6-179.600000112.6S43S43-G45 PolarHBondContact O-N 3.25Å
46P56.5Low55.7Low132 Ų132123.5 Ų123.586%0.85777%0.774SS**PPolyproline II helixtrans-60.9143.3-177.125.8-34.5000111.7
47E64.3Low55.6Low169 Ų169124 Ų12479%0.7978%0.778SS**PPolyproline II helixtrans-73.7135.1177.7-167.5155.3-137.300110.3
48G63.9Low55Low56 Ų56126.5 Ų126.558%0.57778%0.778SS**PPolyproline II helixtrans-67.5149-174.900000112.8
49P54Low55.4Low122 Ų122123.9 Ų123.979%0.79277%0.773SS**PPolyproline II helixtrans-62.9139.8-179.926.4-34.4000111.3
50P63.2Low54.2Low130 Ų130124.8 Ų124.884%0.84478%0.782SS**PPolyproline II helixtrans-57.3140179.9-27.335.4000113.7
51G57.5Low53.5Low73 Ų73129.3 Ų129.375%0.75378%0.782SS**PPolyproline II helixtrans-63.9145.9174.300000112.5
52K47.4Very low52.3Low204 Ų204129.5 Ų129.589%0.88778%0.784SS**PPolyproline II helixtrans-67.3139.9174.3-51.3176.6-170.81770109.5
53P52.2Low51.5Low131 Ų131128.9 Ų128.985%0.85178%0.778SS**PPolyproline II helixtrans-58138.5167.5-22.233.7000110.9
54G48.1Very low51Low71 Ų71130.3 Ų130.373%0.73278%0.776SS**PPolyproline II helixtrans-89.2150.5166.400000110.5
55E41.6Very low50.3Low198 Ų198125.9 Ų125.993%0.92578%0.776SS**PPolyproline II helixtrans-78.6152.8174-65.5177.6114.900111.2
56D45.3Very low49.2Very low174 Ų174127 Ų12793%0.9379%0.788SS**PPolyproline II helixtrans-66.5152.8-176.2-64-63.7000113.5
57G55.4Low48.4Very low73 Ų73129.5 Ų129.575%0.75379%0.788SS**  trans-145.1134.2174.600000113.1
58E39.8Very low47.3Very low186 Ų186126.3 Ų126.387%0.86978%0.78SS**  trans-147.1158.9-179.9-97-85.69600108.7
59P59.2Low46.4Very low97 Ų97127.2 Ų127.263%0.6379%0.79SS**  -134.4176.2-120.137.6-19.2000117
60G38.5Very low45.7Very low73 Ų73131.1 Ų131.175%0.75379%0.794SS**  trans-148.9159174.900000113.8
61R40.8Very low44.6Very low229 Ų229129.7 Ų129.786%0.86479%0.794SS**  trans-145.1163-169.5-70.9178.5-176.8138.74.3110.1
62N37.9Very low44.1Very low140 Ų140129.9 Ų129.975%0.74980%0.796SS**  cis-153178.86.8-130.624.7000107.8
63G37.6Very low43.9Very low55 Ų55125.8 Ų125.857%0.56779%0.793SS**  cis156.3156.8-4.500000111.9
64N37.4Very low44.1Very low149 Ų149125.6 Ų125.680%0.79779%0.792SS**  trans54.8157.5157.9-59.20.5000121.7
65P50.6Low44.2Very low128 Ų128126 Ų12683%0.83180%0.796SS**  cis-129.8156-37.737.7-22.4000113.4
66G42.1Very low44.5Very low78 Ų78121.7 Ų121.780%0.80479%0.794SS**  136.8157.498.800000110.2
67E39.9Very low44.9Very low183 Ų183124.8 Ų124.886%0.85579%0.792SS**  cis-139.1156.57.4-107.7-158.8113.200113.7
68V41.3Very low44.5Very low103 Ų103124.6 Ų124.662%0.62479%0.79SS**  trans33.2120.2151.6-172.30000121F70V68-F70 HydrophobicContact CG1-CD2 4.17Å; V68-F70 HydrophobicContact CG1-CE2 4.02Å
69G44.7Very low44.7Very low75 Ų75125.7 Ų125.777%0.77379%0.792SS**  trans-121.8149.414900000110.7
70F39.1Very low44.6Very low203 Ų203126.8 Ų126.889%0.8980%0.8SS**PPolyproline II helixtrans-87.2154-178.5-85.8-91.2000113.3V68V68-F70 HydrophobicContact CG1-CD2 4.17Å; V68-F70 HydrophobicContact CG1-CE2 4.02Å
71A41Very low45Very low101 Ų101127 Ų12784%0.83580%0.802SS**PPolyproline II helixtrans-88145.9-169.700000114.5
72G45.7Very low45.3Very low77 Ų77120.8 Ų120.879%0.79480%0.799SS**PPolyproline II helixtrans-76153.1164.900000112.5
73S44.2Very low46.3Very low117 Ų117120 Ų12082%0.81880%0.801SS**PPolyproline II helixtrans-85.6152.4-169.243.50000114.7
74P56.7Low46.6Very low128 Ų128121.1 Ų121.183%0.83181%0.813SS**PPolyproline II helixtrans-65.5148.8175.5-2234.2000114.1
75G49.7Very low47.2Very low79 Ų79122 Ų12281%0.81482%0.817SS**PPolyproline II helixtrans-67.5151179.700000114.8
76A47.2Very low47.5Very low107 Ų107121.6 Ų121.688%0.88482%0.815SS**PPolyproline II helixtrans-71.3144.1-175.700000113.6
77R53.4Low47.6Very low240 Ų240121.8 Ų121.891%0.90682%0.816SS**PPolyproline II helixtrans-83.5137.6177.4-169.3176.9-174.3172.11.5110.4
78G48.5Very low47.9Very low68 Ų68121.3 Ų121.370%0.70182%0.819SS**PPolyproline II helixtrans-60.3145.6-176.200000114.7
79F42.7Very low48.2Very low209 Ų209126.2 Ų126.292%0.91783%0.832SS**PPolyproline II helixtrans-75.1132.9-178-76.9-89.1000112.8
80P57.9Low48.4Very low121 Ų121126 Ų12679%0.78683%0.829SS**PPolyproline II helixtrans-66.4151.5165-19.433.1000112.3
81G47.1Very low48.6Very low77 Ų77125.5 Ų125.579%0.79483%0.829SS**PPolyproline II helixtrans-67.3141.9178.500000113.6
82A46.7Very low48.8Very low98 Ų98132.5 Ų132.581%0.8183%0.834SS**PPolyproline II helixtrans-76.8134.5-179.700000112.4
83P58.8Low48.9Very low123 Ų123131.9 Ų131.980%0.79983%0.828SS**PPolyproline II helixtrans-62.3149170.4-23.634.9000113.1
84G44.8Very low49Very low79 Ų79135.4 Ų135.481%0.81483%0.831SS**PPolyproline II helixtrans-68.8142.6-177.800000114.2
85L50.3Low48.7Very low168 Ų168139.3 Ų139.388%0.8884%0.835SS**PPolyproline II helixtrans-80.7144177.4-70.5168.7000112
86P56.8Low48.6Very low120 Ų120139 Ų13978%0.77983%0.831SS**PPolyproline II helixtrans-58.8143.2175.3-25.735.5000113.7L88P86-L88 PolarHBondContact O-N 2.72Å
87G44.1Very low48.5Very low81 Ų81142.5 Ų142.584%0.83584%0.835SS**PPolyproline II helixtrans-66.4127.2-169.400000115.2
88L45.9Very low48.4Very low173 Ų173140.4 Ų140.491%0.90684%0.835SS**PPolyproline II helixtrans-68.1136.8168.2-76.6163.7000111P86 G90P86-L88 PolarHBondContact O-N 2.72Å; L88-G90 PolarHBondContact O-N 3.32Å; L88-G90 VanDerWaalsContact O-N 3.13Å
89K47.1Very low48.5Very low207 Ų207139.9 Ų139.990%0.983%0.83SS**  trans-67.6108.3-178.5-171.9175.7-177.1176.80110.2
90G48.9Very low48.8Very low70 Ų70136.4 Ų136.472%0.72283%0.828SS**  trans-57.8144.5-169.800000115.2L88L88-G90 PolarHBondContact O-N 3.32Å; L88-G90 VanDerWaalsContact O-N 3.13Å
91H43.3Very low48.4Very low192 Ų192140.2 Ų140.289%0.88983%0.832SS**  trans-65.8154.2172-74.2-106.9000111.4G93H91-G93 PolarHBondContact O-N 2.78Å
92R45.3Very low48.3Very low248 Ų248139.6 Ų139.694%0.93683%0.826SS**  trans-68.295.8-176.3-170.4-176.6-164.3172.65.2111.1
93G47.6Very low48.2Very low65 Ų65144.5 Ų144.567%0.6783%0.832SS**PPolyproline II helixtrans-59.4153.4177.800000113.8H91H91-G93 PolarHBondContact O-N 2.78Å
94H46Very low47.6Very low190 Ų190145.3 Ų145.388%0.8883%0.834SS**PPolyproline II helixtrans-64.8154.3171.5-66.6-106.2000110.5G96H94-G96 PolarHBondContact O-N 3.05Å
95K49.7Very low47.5Very low210 Ų210144.9 Ų144.991%0.91383%0.83SS**PPolyproline II helixtrans-59122.5174-83.3-169.1172.8-172.90109.8
96G47.6Very low47.3Very low72 Ų72141.4 Ų141.474%0.74283%0.825SS**PPolyproline II helixtrans-67.7159.7167.300000111.8H94H94-G96 PolarHBondContact O-N 3.05Å
97L45.1Very low47Very low182 Ų182141.8 Ų141.895%0.95383%0.828SS**PPolyproline II helixtrans-70150.3169.3-67.4169.3000110.3
98E52.1Low46.8Very low196 Ų196141.8 Ų141.892%0.91683%0.827SS**PPolyproline II helixtrans-73.4126-177.6-167.9167.3-176.800110.7
99G51Low47.2Very low57 Ų57139.7 Ų139.759%0.58883%0.827SS**PPolyproline II helixtrans-77149.1-178.800000112.4K101G99-K101 PolarHBondContact O-N 3.21Å
100P48.8Very low46.8Very low136 Ų136140 Ų14088%0.88383%0.829SS**PPolyproline II helixtrans-60.6132176.925.8-33.8000111
101K49.8Very low46.4Very low201 Ų201140.5 Ų140.587%0.87483%0.834SS**PPolyproline II helixtrans-68.2128.7-178.3-176178.7179.1-178.90110.5G99G99-K101 PolarHBondContact O-N 3.21Å
102G44.9Very low46.6Very low63 Ų63141 Ų14165%0.64984%0.837SS**PPolyproline II helixtrans-60.1148.1-179.600000113.8
103E43.9Very low46.2Very low201 Ų201134.3 Ų134.394%0.93984%0.835SS**PPolyproline II helixtrans-69150.8-178.3-61.3-173.9130.700112.5
104V47.7Very low45.9Very low140 Ų140134.4 Ų134.485%0.84884%0.836SS**PPolyproline II helixtrans-95.8132.2179.1177.90000109.2
105G42.7Very low46.5Very low70 Ų70131.6 Ų131.672%0.72284%0.835SS**PPolyproline II helixtrans-60.4147.5-173.600000114.9
106A45.1Very low45.8Very low95 Ų95128.9 Ų128.979%0.78584%0.835SS**PPolyproline II helixtrans-71.3140.5-175.500000113.5
107P51Low45.6Very low129 Ų129128.4 Ų128.484%0.83883%0.831SS**PPolyproline II helixtrans-62.4154.4165.6-2335000113.3
108G40.1Very low46.5Very low80 Ų80126.4 Ų126.483%0.82583%0.829SS**PPolyproline II helixtrans-73.9169.7-168.200000117.5
109S53.5Low45.9Very low129 Ų129126.4 Ų126.490%0.90283%0.831SS**PPolyproline II helixtrans-79.7159.3-171.552.30000115.3
110K38.4Very low45.3Very low213 Ų213126.4 Ų126.493%0.92683%0.831SS**  trans-154.6111.9169.1-173.2179.6179.4-178.60114.4
111G41.6Very low45.5Very low81 Ų81128.1 Ų128.184%0.83583%0.833SS**  trans81.5123.814400000118.9
112E47.5Very low45.3Very low202 Ų202124.4 Ų124.494%0.94483%0.83SS**  trans-92144.6173.7-61164.493.200113.1
113A35.4Very low45.2Very low109 Ų109125 Ų12590%0.90184%0.836SS**  trans175.3141.9147.700000108.3
114G41.4Very low45.2Very low67 Ų67122.6 Ų122.669%0.69184%0.835SS**  cis-169.9163.8-7.700000108.9
115P58.8Low45.1Very low131 Ų131122.8 Ų122.885%0.85184%0.836SS**  trans-93.2118.1-160.233.3-34.9000116.5
116T36.1Very low45.5Very low152 Ų152122 Ų12293%0.93383%0.829SS**  trans-165.2141.5159.1-29.80000108.2
117G43Very low45.8Very low62 Ų62123.5 Ų123.564%0.63983%0.83SS**  cis-166.9169-8.400000108.9
118P64.6Low46.1Very low141 Ų141123.5 Ų123.592%0.91683%0.83SS**  trans-93.1122.7-160.933.5-34.7000116.4
119M38.7Very low46.7Very low195 Ų195122.8 Ų122.896%0.96182%0.823SS**  trans-173.9140.1155.3-163.8168.168.500108.5
120G39.2Very low46.8Very low58 Ų58123.2 Ų123.260%0.59882%0.822SS**  cis-176.6154.8-8.500000108.8P122G120-P122 WeakPolarHBondContact O-CD 3.49Å
121D53.1Low47.7Very low172 Ų172119.8 Ų119.892%0.9282%0.819SS**  trans-69.4141.3-166.2-60.5-74.3000116.5
122P44.2Very low48.1Very low123 Ų123119.1 Ų119.180%0.79981%0.812SS**  trans-134.6109.3156.631.4-12.2000114.5G120G120-P122 WeakPolarHBondContact O-CD 3.49Å
123G42.1Very low48Very low76 Ų76119.3 Ų119.378%0.78481%0.813SS**  trans77.3108.514000000119.6
124T45.3Very low48.6Very low150 Ų150125.7 Ų125.792%0.9281%0.814SS**PPolyproline II helixtrans-71131.5164.245.70000111.9
125V45.7Very low48.8Very low143 Ų143125.8 Ų125.887%0.86782%0.815SS**PPolyproline II helixtrans-91.4138.2168.41780000109.4
126G51.3Low48Very low55 Ų55124.1 Ų124.157%0.56781%0.812SS**PPolyproline II helixtrans-71.7163.7-178.200000114.6
127P50.8Low48.8Very low126 Ų126123.2 Ų123.282%0.81881%0.809SS**PPolyproline II helixtrans-69.6144.4-174.128.2-35.4000113.2
128P57.7Low48.8Very low129 Ų129123.8 Ų123.884%0.83882%0.815SS**PPolyproline II helixtrans-62.3149.2169.7-22.334.1000113.1
129G52.6Low47.5Very low65 Ų65125.3 Ų125.367%0.6782%0.815SS**PPolyproline II helixtrans-73.4162.417600000114
130P55.8Low47.6Very low137 Ų137127.7 Ų127.789%0.8981%0.813SS**PPolyproline II helixtrans-67.5145.8-177.128.1-35.1000113
131V56.6Low47.6Very low141 Ų141128.1 Ų128.186%0.85582%0.818SS**PPolyproline II helixtrans-80.3132.8177.4175.80000110.1
132G50.1Low46.8Very low68 Ų68129.7 Ų129.770%0.70182%0.817SS**PPolyproline II helixtrans-72.5150.3179.700000114.3
133E46.1Very low47Very low205 Ų205129.8 Ų129.896%0.95882%0.818SS**PPolyproline II helixtrans-68.3150.5-179.2-62.5-174.3109.900113.1
134R46.8Very low47.2Very low244 Ų244129.9 Ų129.992%0.92182%0.819SS**PPolyproline II helixtrans-103.5124.8-178.8-177.7178-67.5-177-0.5110.8
135G46.6Very low46.7Very low69 Ų69128.6 Ų128.671%0.71182%0.816SS**PPolyproline II helixtrans-64.5165.2177.500000115
136A42.6Very low46.7Very low96 Ų96129.8 Ų129.879%0.79382%0.818SS**PPolyproline II helixtrans-67.8153.8-172.600000114.3
137P51.4Low46.1Very low133 Ų133130.7 Ų130.786%0.86483%0.827SS**PPolyproline II helixtrans-69.4134.9-178.5-18.232.5000113.6
138G42.7Very low45.3Very low74 Ų74132.7 Ų132.776%0.76383%0.83SS**PPolyproline II helixtrans-82.7164174.600000114.4
139N38.8Very low44.9Very low173 Ų173132.6 Ų132.693%0.92583%0.829SS**PPolyproline II helixtrans-69.6153.1-178.9-77.1-43.9000113.7
140R40.9Very low44.9Very low244 Ų244133 Ų13392%0.92183%0.833SS**PPolyproline II helixtrans-80117.4-168.5-170.2179.8-168.2165.64.1113.1
141G38.5Very low44.4Very low68 Ų68132.7 Ų132.770%0.70183%0.831SS**PPolyproline II helixtrans-79.9164.8168.100000113.8
142F37Very low43.5Very low204 Ų204136.3 Ų136.390%0.89584%0.835SS**PPolyproline II helixtrans-83163.5177.7-86-96.9000113
143P47.1Very low43.2Very low125 Ų125136.6 Ų136.681%0.81284%0.838SS**PPolyproline II helixtrans-65.9150.2-176.2-20.433.9000114.3
144G46.6Very low42.7Very low79 Ų79132.2 Ų132.281%0.81484%0.837SS**  trans-95.7-166.8179.500000115
145S35.7Very low42.2Very low122 Ų122129.8 Ų129.885%0.85384%0.836SS**  trans-142152.5172.147.40000110.6
146D45Very low42.1Very low169 Ų169129.7 Ų129.790%0.90484%0.835SS**  trans-84.4164.1-162.3-59.2-75000116.1
147G37.9Very low41.7Very low73 Ų73133.3 Ų133.375%0.75384%0.835SS**  trans-153.8-9.2-172.300000121.7
148L35.7Very low41.1Very low168 Ų168137.5 Ų137.588%0.8883%0.834SS**  trans55.7-164.5169.7-53.9174.9000116.3
149P48.5Very low41.3Very low128 Ų128137.3 Ų137.383%0.83183%0.832SS**  -124.4166.4-113.333.6-12000116.7
150G51.8Low41.5Very low72 Ų72135.6 Ų135.674%0.74283%0.83SS**  trans-118.4178.5-178.100000116.7
151P45.4Very low41.4Very low131 Ų131130.9 Ų130.985%0.85183%0.829SS**  trans-126.1102-174.835.5-17.1000116.7
152K39.2Very low41.7Very low217 Ų217131 Ų13194%0.94383%0.829SS**  trans11.5133.4136.5-172.3-177-175.4-178.80122.1
153G42.8Very low41.7Very low74 Ų74127.4 Ų127.476%0.76383%0.83SS**  trans142.7144149.600000115
154A36.1Very low41.2Very low113 Ų113127.3 Ų127.393%0.93483%0.832SS**  cis-155.3178.3-3.400000113.5
155Q36.3Very low41.3Very low194 Ų194127.1 Ų127.191%0.90783%0.83SS**  trans-80.5150.7-160.9163.4-171.2-14.400118.7
156G44.7Very low41.6Very low67 Ų67127.9 Ų127.969%0.69183%0.832SS**  trans136.4162.6159.300000115.1
157E34.2Very low41.3Very low171 Ų171129.5 Ų129.580%0.79983%0.831SS**  cis-161.5-165.3-23.6-122.4-47-65.300111.4
158R38Very low41.8Very low222 Ų222128.6 Ų128.684%0.83882%0.822SS**  trans-121.7132.3-154.3-179.6-165.4-67.4-162.6-5.3119.4
159G46.1Very low41.7Very low70 Ų70124.1 Ų124.172%0.72281%0.805SS**  trans77.5179.9144.100000118.9
160P45.1Very low41.2Very low136 Ų136126.2 Ų126.288%0.88380%0.803SS**  cis-121.1-141.41.842.6-27.1000114.3
161V38.7Very low40.7Very low146 Ų146125 Ų12589%0.88579%0.791SS**  trans-128.1140.7-152.6168.30000115.3
162G44.6Very low40.4Very low69 Ų69126.1 Ų126.171%0.71179%0.79SS**  110.9133.6125.100000121.3
163S35.5Very low40.4Very low130 Ų130121.6 Ų121.691%0.90978%0.782SS**  -174.5157129.651.70000111.6
164S37.1Very low40.8Very low123 Ų123121.5 Ų121.586%0.8678%0.781SS**  trans-93.4151.6-175.747.10000113.8
165G49Very low40.9Very low74 Ų74127.8 Ų127.876%0.76378%0.781SS**  trans-102.8178.2174.800000114
166P41.8Very low41.1Very low138 Ų138123.7 Ų123.790%0.89677%0.771SS**  trans-115.2176.616638.7-28.4000113.4
167K39.6Very low41.4Very low203 Ų203124.1 Ų124.188%0.88378%0.775SS**  trans-109.3130.1-168.6171.1-171.5173.7-175.50113.4
168G47.5Very low41.6Very low55 Ų55124.7 Ų124.757%0.56778%0.778SS**  trans100.4139133.100000119.1
169S34.7Very low41.7Very low74 Ų74119.6 Ų119.652%0.51777%0.774SS.*  trans-157.8154.9155.553.20000111.2
170Q37.3Very low41.9Very low171 Ų171119.6 Ų119.680%0.79977%0.774SS**  trans-119.7148.5-169.1169.5-173.4-10.700111.5
171G40.4Very low41.3Very low48 Ų48121.5 Ų121.550%0.49578%0.776SS.*  trans111.8101.3140.600000118.7
172D40Very low41.5Very low154 Ų154120.5 Ų120.582%0.82477%0.772SS**  64.1168.8129.9-58-58.6000119.7
173P39.3Very low41.7Very low121 Ų121120.8 Ų120.879%0.78678%0.776SS**  cis-120.9163.9-3.939.7-26.2000115
174G50.9Low41.6Very low72 Ų72119.9 Ų119.974%0.74278%0.776SS**  trans-78157.9168.200000113.7
175R39Very low41.8Very low246 Ų246125.1 Ų125.193%0.92878%0.777SS**  trans-148.5166.3169.8-108.6-157.9168.9-143.4-3.7111.1
176P40.1Very low41.5Very low107 Ų107124.5 Ų124.570%0.69577%0.771SS**  -102.8164.9-118.539-37.7000114.2
177G51.5Low41Very low76 Ų76126.6 Ų126.678%0.78477%0.773SS**  trans-80.9153.1159.600000111.5
178E37.9Very low40.9Very low183 Ų183121.9 Ų121.986%0.85576%0.761SS**  trans-130.9158.4171.9-94.1-153.8111.200110.7
179P39.5Very low40.4Very low116 Ų116122.3 Ų122.375%0.75377%0.766SS**  trans-97.5159.8-131.6-9.829.3000115.8
180G50.5Low40.4Very low70 Ų70126.2 Ų126.272%0.72278%0.781SS**  trans-80.7176162.700000112.7
181L32.5Very low40.7Very low176 Ų176123.8 Ų123.892%0.92178%0.78SS**  trans-108.6146.1169.8-77173.2000111.8
182P43.9Very low40.6Very low124 Ų124125.1 Ų125.181%0.80579%0.793SS**  trans-87.5176.3-178.30.421.8000111.5
183G48.7Very low40.6Very low76 Ų76125.1 Ų125.178%0.78480%0.799SS**  cis137137.2-0.400000111.6
184A32.4Very low40.4Very low111 Ų111128.4 Ų128.492%0.91780%0.804SS**  trans-124.6102-179.500000111
185R40.8Very low40.2Very low233 Ų233128 Ų12888%0.87980%0.799SS**  trans-105.7144.2177.3-178.7-176.8-175174.42.2107.3
186G42.8Very low40.5Very low61 Ų61122.3 Ų122.363%0.62980%0.795SS**  cis153.5-179.22.400000108.4
187L32.3Very low40.6Very low181 Ų181126.4 Ų126.495%0.94880%0.804SS**  trans-127.2137.5159.4-85.6177.2000110
188T36.8Very low40.3Very low104 Ų104126.1 Ų126.164%0.63880%0.801SS**PPolyproline II helixtrans-89.7123.1-166.7-59.40000110.8
189G37.3Very low40.4Very low64 Ų64126.8 Ų126.866%0.6680%0.801SS**PPolyproline II helixtrans-74.3140.3159.900000110.1
190N34.3Very low40.6Very low157 Ų157130 Ų13084%0.8481%0.811SS**PPolyproline II helixtrans-66.7143.2176.7-76.3-20.3000110.7
191P43.2Very low40.2Very low120 Ų120129.5 Ų129.578%0.77981%0.807SS**PPolyproline II helixtrans-76.7148.4-161.6-17.333.2000114.2
192G39.6Very low41Very low75 Ų75127.8 Ų127.877%0.77381%0.806SS**PPolyproline II helixtrans-70.2146.5163.800000111.7
193V38.4Very low40.8Very low155 Ų155129.4 Ų129.494%0.93981%0.807SS**PPolyproline II helixtrans-83.5123.6176.2-170.50000109
194Q36.6Very low40.2Very low189 Ų189129.3 Ų129.388%0.88381%0.806SS**  trans-111.8126.7179.8-179.7174.6-3.500112.7
195G45.9Very low40.6Very low63 Ų63127.7 Ų127.765%0.64979%0.792SS**  trans75.4116.4135.500000118.9
196P45Very low41.4Very low128 Ų128122.3 Ų122.383%0.83179%0.788SS**PPolyproline II helixtrans-77148.8168.832.7-34.2000112.4
197E41.6Very low41.3Very low193 Ų193123.3 Ų123.390%0.90280%0.798SS**PPolyproline II helixtrans-85.5150.9175.7-165.3175.1-176.800112.8
198G45.5Very low41.5Very low70 Ų70123.2 Ų123.272%0.72279%0.793SS**PPolyproline II helixtrans-83.1168.1-175.300000115.8
199K40.9Very low41.8Very low197 Ų197124.2 Ų124.286%0.85779%0.794SS**  trans-103.5111.9-170.6-67.6-179.5-179.7174.60115.2
200L44.4Very low41.8Very low182 Ų182124.9 Ų124.995%0.95380%0.801SS**  47.8134.7123.2-165.275.5000122.3
201G41.8Very low42.7Very low61 Ų61127.4 Ų127.463%0.62980%0.799SS**  trans174162.2144.300000113.6
202P48Very low42.8Very low140 Ų140127.6 Ų127.691%0.90980%0.8SS**  cis-124.3-156.8-6.841.8-25.1000113.9
203L40.3Very low42.8Very low157 Ų157127.3 Ų127.382%0.82280%0.798SS**  trans-85.6153-160.5-179.766.6000116.9A205L203-A205 HydrophobicContact CD1-CB 4Å; L203-A205 HydrophobicContact CG-CB 4.38Å
204G35.7Very low42.9Very low74 Ų74126.1 Ų126.176%0.76379%0.793SS**  trans-141.3132.8147.900000110.9
205A41.7Very low43.2Very low77 Ų77123 Ų12364%0.63679%0.789SS**  trans-167.7170-177.200000110.8L203L203-A205 HydrophobicContact CD1-CB 4Å; L203-A205 HydrophobicContact CG-CB 4.38Å
206P56.4Low42.7Very low120 Ų120123.8 Ų123.878%0.77980%0.797SS**  cis-117.8-173.6-17.439.4-25.8000111.8
207G41.4Very low42.3Very low82 Ų82123 Ų12385%0.84580%0.795SS**  trans-149.390.7165.800000109.6
208E37.5Very low42Very low179 Ų179122 Ų12284%0.83679%0.794SS**  trans-105.5135-167.8-130.2-179.3165.900114.3
209D41.5Very low41.9Very low125 Ų125122.1 Ų122.167%0.66880%0.795SS**  trans70.3146.8152-128.9-1.3000122.5R211D209-R211 WeakPolarHBondContact OD1-CG 3.44Å; D209-R211 IonicContact OD1-NE 2.88Å
210G38.4Very low41.7Very low78 Ų78120.2 Ų120.280%0.80479%0.792SS**  trans-166.123.9-174.300000113.3
211R53.1Low41.4Very low210 Ų210123.1 Ų123.179%0.79279%0.791SS**  trans-75.3172.3163.9-60171.1-172.1-1262.5109.7D209D209-R211 WeakPolarHBondContact OD1-CG 3.44Å; D209-R211 IonicContact OD1-NE 2.88Å
212P45.7Very low41.5Very low124 Ų124123.6 Ų123.681%0.80580%0.795SS**  cis-122160.5-738.9-24.1000113.1
213G37.9Very low41.3Very low70 Ų70126.2 Ų126.272%0.72280%0.796SS**  89.4-170.190.800000112.9
214P41.8Very low41.9Very low129 Ų129124.9 Ų124.984%0.83880%0.796SS**  cis-125.7-128.6-18.838-16.2000111
215P42.9Very low43Very low125 Ų125124.5 Ų124.581%0.81279%0.792SS**  trans-126.9162.1-135.536.7-14.7000118.5
216G34.1Very low43.1Very low79 Ų79127.4 Ų127.481%0.81481%0.808SS**  trans161.8139.6164.100000112.5
217S38.6Very low42.2Very low111 Ų111130.4 Ų130.478%0.77681%0.814SS**  cis-141.71361.259.60000113.3
218I34.9Very low42.8Very low172 Ų172129.6 Ų129.688%0.88281%0.805SS**  trans6.3121.4143.2-56.6161.5000116.5
219G43.9Very low43.3Very low72 Ų72129.2 Ų129.274%0.74281%0.808SS**  trans-177.5106.1166.800000112.4
220I35.3Very low43.8Very low157 Ų157129 Ų12981%0.80581%0.813SS**  trans-105.8107.3-166.9-55.2172.6000112.2
221R37.5Very low44.1Very low244 Ų244128.6 Ų128.692%0.92181%0.81SS**  trans61.5115.6145.5-166.6-175.8-159.6162.96.1119.4
222G45.4Very low43.6Very low71 Ų71124.7 Ų124.773%0.73281%0.812SS**  trans174.514.3162.700000126.3
223Q43.8Very low43.9Very low195 Ų195129.1 Ų129.191%0.91182%0.818SS**  trans63.2-164.3174-55.7-172.5-18.300116.1
224P52.7Low44.6Very low129 Ų129129.5 Ų129.584%0.83882%0.822SS**  -107.4-179.2-11233.6-14.9000115.4
225G58.5Low44.6Very low66 Ų66129.2 Ų129.268%0.6882%0.823SS**  cis165.5-147.51.600000112.5
226S44.3Very low45Very low137 Ų137129.5 Ų129.596%0.95883%0.828SS**  trans90.5-163.7168.885.10000120.6
227M37.8Very low45.5Very low184 Ų184129.3 Ų129.391%0.90683%0.826SS**  trans-82.8160-155.7-163.6-168.4-64.900114.8
228G52.9Low45.6Very low65 Ų65131.6 Ų131.667%0.6783%0.83SS**  trans-114.3161.5167.200000112.1
229L48Very low46.4Very low170 Ų170129.7 Ų129.789%0.8983%0.828SS**SBendcis-108.3176.124.6-85.2172.8000114.2
230P51.9Low46.3Very low120 Ų120130 Ų13078%0.77983%0.832SS**  trans-78.1141.1-149.9-17.431.2000117.1
231G44.4Very low46.3Very low71 Ų71132.7 Ų132.773%0.73284%0.837SS**  trans52114.2146.400000118.2
232P43.3Very low46.8Very low128 Ų128127 Ų12783%0.83183%0.832SS**  -141.4133.694.734.6-20.9000116.2G234P232-G234 PolarHBondContact O-N 3.32Å
233K50.9Low46.9Very low216 Ų216127.1 Ų127.194%0.93983%0.834SS**  trans16.999.3143.8-164.8177.5-174-179.60117
234G53.6Low46.5Very low78 Ų78127.7 Ų127.780%0.80484%0.837SS**  trans-87-163.5-174.300000117.3P232P232-G234 PolarHBondContact O-N 3.32Å
235S42.5Very low45.8Very low124 Ų124126.5 Ų126.587%0.86784%0.837SS**  trans-153159.5-179.9530000111.2
236S50Low45.1Very low131 Ų131126.6 Ų126.692%0.91684%0.838SS**  trans-77.9160.8-171-41.70000115.8
237G45.6Very low44.6Very low74 Ų74128.4 Ų128.476%0.76384%0.837SS**  trans156.7125.5156.300000117.2
238D40.1Very low44.5Very low160 Ų160124.6 Ų124.686%0.85684%0.835SS**  trans-76.6-171.4159.8-47.9-102.4000111.4
239P52Low44.2Very low132 Ų132124.7 Ų124.786%0.85784%0.836SS**  cis-123.3-178.5-43.126.3-6.2000112
240G40.8Very low43.8Very low79 Ų79123.7 Ų123.781%0.81484%0.837SS**  trans-159.9158.8174.800000116.1
241K35.2Very low43.8Very low212 Ų212123.9 Ų123.992%0.92284%0.838SS**  trans-128169.5-179.3-100.1-170.7177.9-177.40111.7
242P48.5Very low43.9Very low124 Ų124124 Ų12481%0.80584%0.839SS**  trans-101.7155.7-148.637.7-37.6000117.4
243G47.7Very low43.4Very low75 Ų75127.7 Ų127.777%0.77385%0.845SS**  trans96.5127.313500000119.1
244E35.8Very low42.9Very low207 Ų207129.1 Ų129.197%0.96785%0.845SS**  trans-164.3176.7145-118-177.9147.300110.8
245A37.1Very low42.7Very low103 Ų103128.8 Ų128.885%0.85184%0.841SS**  trans-146155.5-160.900000117.2
246G45.4Very low42.6Very low68 Ų68127.7 Ų127.770%0.70184%0.84SS**  trans98.3133.1145.200000119.3
247N32.8Very low43.2Very low175 Ų175127.9 Ų127.994%0.93684%0.838SS**  179.1177.2117.4-94.3-65.9000112.1
248A36.1Very low43.2Very low104 Ų104127.6 Ų127.686%0.8683%0.834SS**  trans-143.6174.3-151.900000117.7
249G46.9Very low43.1Very low67 Ų67129.6 Ų129.669%0.69184%0.835SS**  trans104.3162.4166.500000115.8
250V38.9Very low42.3Very low149 Ų149131.3 Ų131.390%0.90384%0.837SS**  cis-155.9-175.5-0.5-112.90000110.1
251P51.3Low42.8Very low125 Ų125130.8 Ų130.881%0.81283%0.832SS**  trans-132170.8-141.145.8-31.3000121.1
252G46.6Very low42.7Very low72 Ų72129.3 Ų129.374%0.74283%0.828SS**  105.9139.312400000122.9
253Q34.3Very low42.4Very low206 Ų206128 Ų12896%0.96382%0.818SS**  trans-173.6-177.5135.6-103.8-173.36700115
254R38.9Very low41.9Very low247 Ų247127.2 Ų127.293%0.93281%0.81SS**  trans-147.4165-157.5178.3179.5-71.8-178.4-2.3111.2
255G49.6Very low42.3Very low71 Ų71123.9 Ų123.973%0.73281%0.806SS**  cis-139.3-130.211.700000114.2
256A41.5Very low42.7Very low101 Ų101125.2 Ų125.284%0.83581%0.809SS**  cis-159.3173.28.800000111.9
257P61.9Low42.5Very low135 Ų135125.3 Ų125.388%0.87781%0.81SS**  trans-140.9179.2-149.145.6-30.1000121.2
258G46.5Very low43.2Very low67 Ų67123.4 Ų123.469%0.69181%0.807SS**  trans144.4150.2153.400000115.7
259K36.6Very low44Very low202 Ų202125.8 Ų125.888%0.87881%0.811SS**  cis-158.2173.41.8-53.6-178.2-172.7175.70112.4
260D36.9Very low43.5Very low168 Ų168125.7 Ų125.790%0.89881%0.81SS**  trans-102.7-177.5-168-33.4-101.1000114.4
261G50.3Low43.5Very low68 Ų68124.4 Ų124.470%0.70181%0.805SS**  cis171.2-154.8400000114.3
262E34Very low43.8Very low181 Ų181125 Ų12585%0.84681%0.808SS**  trans90.8162.9162.8-56.1-113.778.500121.9
263V41Very low43.3Very low97 Ų97125 Ų12559%0.58881%0.809SS**  trans-153.4158.8-153.51580000115.7K356V263-K356 HydrophobicContact CB-CD 4.33Å; V263-K356 HydrophobicContact CG2-CD 3.75Å; V263-K356 HydrophobicContact CG2-CG 4.15Å
264G38.3Very low43.6Very low59 Ų59123.8 Ų123.861%0.60881%0.808SS**  trans-135.3165.2162.800000115.2
265P43Very low44.3Very low136 Ų136117.1 Ų117.188%0.88381%0.806SS**  trans-114.4-179-163.142.6-34.1000117.4
266S45.2Very low44.1Very low131 Ų131117.3 Ų117.392%0.91681%0.807SS**  trans-107.2160.1-165.4-40.60000117.5
267G41.7Very low44.1Very low70 Ų70122 Ų12272%0.72281%0.812SS**  trans151.5169157.700000113.8
268P48Very low43.4Very low135 Ų135127.3 Ų127.388%0.87782%0.815SS**  cis-116.8-163.1-10.440.3-25.5000112.9
269V53Low43.5Very low155 Ų155127.4 Ų127.494%0.93982%0.816SS**  trans-130147.2-164.4172.10000114
270G35.8Very low43.8Very low64 Ų64126.8 Ų126.866%0.6682%0.816SS**  trans171.8163.515400000113.4
271P40.1Very low43.9Very low123 Ų123127.7 Ų127.780%0.79982%0.815SS**  cis-107.5169.8-13.939.3-29.6000112.7G273P271-G273 PolarHBondContact O-N 3.19Å
272P56.2Low43.8Very low136 Ų136127.2 Ų127.288%0.88381%0.81SS**PPolyproline II helixtrans-73.9121.2-178.1-17.132.3000114.1
273G37.3Very low44.6Very low74 Ų74124.3 Ų124.376%0.76381%0.807SS**PPolyproline II helixtrans-90.9150.1163.300000111.7P271P271-G273 PolarHBondContact O-N 3.19Å
274L40.3Very low45.2Very low180 Ų180125.7 Ų125.794%0.94282%0.818SS**PPolyproline II helixtrans-77.9150-169.1-68.7169.8000114
275A52.8Low45.6Very low107 Ų107125.6 Ų125.688%0.88482%0.817SS**PPolyproline II helixtrans-76.6139.1179.400000112.7
276G46Very low45.9Very low74 Ų74125.7 Ų125.776%0.76382%0.817SS**  trans-117.415316500000109.9
277E40.9Very low45.6Very low201 Ų201126.2 Ų126.294%0.93982%0.815SS**  trans-84.4158-156.8-64.8-173.810300116.4
278R48.4Very low45.6Very low245 Ų245126 Ų12693%0.92581%0.813SS**  trans-67.2128.1165.4170-164.6-67.1166.5-2.7109.6
279G47.6Very low45Very low70 Ų70129.7 Ų129.772%0.72282%0.815SS**  trans-159.8139.9163.400000111.4
280E43.6Very low44.4Very low189 Ų189131.2 Ų131.288%0.88381%0.812SS**  cis-149.6168.5-23.6-146179.8172.600109.1
281Q37.7Very low44.7Very low186 Ų186131 Ų13187%0.86981%0.811SS**PPolyproline II helixtrans-71.5136.9177.4-172.8171.5-3.500110.1
282G48.4Very low44.5Very low58 Ų58133.1 Ų133.160%0.59881%0.814SS**PPolyproline II helixtrans-57137.2-179.500000112.3
283P51.9Low44Very low121 Ų121132.4 Ų132.479%0.78681%0.81SS**PPolyproline II helixtrans-66.1136.7-172.325.7-34.4000111.8
284P52.8Low44.4Very low126 Ų126131.8 Ų131.882%0.81880%0.804SS**PPolyproline II helixtrans-58.2153.1168.1-23.834.5000112.4
285G45.7Very low44.8Very low56 Ų56129.3 Ų129.358%0.57780%0.798SS**PPolyproline II helixtrans-63.1150.1175.800000112.8T287G285-T287 PolarHBondContact O-N 3.45Å
286P49.5Very low44.8Very low139 Ų139130.5 Ų130.590%0.90380%0.797SS**  trans-73.586.8-178.930.2-35.3000111.6G288P286-G288 PolarHBondContact O-N 3.18Å
287T40.6Very low45Very low142 Ų142129.9 Ų129.987%0.87179%0.79SS**  trans-71.399.2174.8-55.70000111G285G285-T287 PolarHBondContact O-N 3.45Å
288G40.6Very low45.6Very low65 Ų65126.2 Ų126.267%0.6778%0.784SS**  trans57.1103.615400000117.7P286 Q290P286-G288 PolarHBondContact O-N 3.18Å; G288-Q290 VanDerWaalsContact C-N 3.3Å; G288-Q290 PolarHBondContact O-N 2.79Å
289F35.1Very low45.8Very low212 Ų212121.1 Ų121.193%0.9378%0.783SS**  trans-64.894.6152.8-98.4-85.3000109.3G291F289-G291 PolarHBondContact O-N 3.41Å
290Q40.6Very low45.9Very low187 Ų187121.3 Ų121.387%0.87479%0.785SS**PPolyproline II helixtrans-59.6129.3162.4-165170.418.900107.6G288G288-Q290 VanDerWaalsContact C-N 3.3Å; G288-Q290 PolarHBondContact O-N 2.79Å
291G41.8Very low45.8Very low61 Ų61122.1 Ų122.163%0.62979%0.789SS**PPolyproline II helixtrans-58.3140.1-161.900000114F289 P293F289-G291 PolarHBondContact O-N 3.41Å; G291-P293 VanDerWaalsContact O-CD 3.29Å; G291-P293 WeakPolarHBondContact O-CD 3.37Å
292L36.2Very low46.3Very low166 Ų166117.1 Ų117.187%0.86979%0.788SS**PPolyproline II helixtrans-55.2120.8168.3-80.1166000109.2
293P46.1Very low46Very low121 Ų121118 Ų11879%0.78680%0.796SS**PPolyproline II helixtrans-60.2151.7172.5-23.235.2000111G291G291-P293 VanDerWaalsContact O-CD 3.29Å; G291-P293 WeakPolarHBondContact O-CD 3.37Å
294G46.2Very low45.3Very low62 Ų62122.1 Ų122.164%0.63980%0.802SS**PPolyproline II helixtrans-58.8157.6-179.200000113.4
295P47.8Very low45.3Very low127 Ų127122 Ų12283%0.82580%0.801SS**PPolyproline II helixtrans-57.2139.3-178.924.6-34.3000111.2G297P295-G297 PolarHBondContact O-N 3.12Å
296P53.7Low45.6Very low132 Ų132122.4 Ų122.486%0.85781%0.805SS**PPolyproline II helixtrans-56.7129.7179.8-26.635000112.6
297G50.3Low45.1Very low61 Ų61124.4 Ų124.463%0.62981%0.808SS**PPolyproline II helixtrans-66156.9169.600000112P295P295-G297 PolarHBondContact O-N 3.12Å
298P53.5Low45.4Very low125 Ų125126.9 Ų126.981%0.81281%0.81SS**PPolyproline II helixtrans-65.1157.6-179.527.7-35000112.5G300P298-G300 PolarHBondContact O-N 2.89Å
299P52.9Low45.8Very low137 Ų137127.2 Ų127.289%0.8981%0.813SS**PPolyproline II helixtrans-77116.3-163.8-17.333000115
300G48.8Very low45.9Very low75 Ų75123.8 Ų123.877%0.77381%0.809SS**  trans63.6101.9135.900000120.2P298P298-G300 PolarHBondContact O-N 2.89Å
301E40.8Very low46.8Very low205 Ų205120.7 Ų120.796%0.95881%0.806SS**  trans-105.5159.1141.3-70.9-167.6104.900109.6
302G48.7Very low47.3Very low82 Ų82121.2 Ų121.285%0.84581%0.811SS**  trans-142.5156.8-167.800000116.3
303G42.5Very low47.4Very low75 Ų75121.3 Ų121.377%0.77381%0.812SS**  trans104.5154-173.600000112.2
304K37.8Very low48.3Very low209 Ų209121.4 Ų121.491%0.90981%0.813SS**  cis-146.1172.14.5-102.4175.8-177.7175.90110.3
305P52.9Low48Very low123 Ų123122.2 Ų122.280%0.79982%0.821SS**  trans-99.6163.9-160.738.5-37000116
306G50.4Low47.5Very low65 Ų65121.1 Ų121.167%0.6782%0.823SS**  trans89.9129.9153.100000117.3
307D39.2Very low47.2Very low180 Ų180122.1 Ų122.196%0.96383%0.826SS**  179.4-179.195.9-93.7-8.4000113.1
308Q46.5Very low47.2Very low195 Ų195122.3 Ų122.391%0.91183%0.828SS**  trans-131.9141.7-162.1172.4-174.2-21.800112.5
309G49.3Very low46.9Very low72 Ų72123.1 Ų123.174%0.74283%0.834SS**  trans105.2171.4175.300000113.8
310V38.2Very low46.5Very low139 Ų139125.1 Ų125.184%0.84284%0.836SS**  cis-142.3152.77.11800000109.2
311P58.1Low46.3Very low123 Ų123124.6 Ų124.680%0.79983%0.83SS**  trans-93.3144.1-173.5-1.321.8000115.9
312G54.1Low46.3Very low71 Ų71121.6 Ų121.673%0.73283%0.828SS**  trans77.9132.1135.200000121.5
313D36.8Very low46.2Very low168 Ų168129.6 Ų129.690%0.89883%0.833SS**  -166.1159.7124.5-113.8-22.1000112.3
314P65.4Low46.2Very low123 Ų123129.2 Ų129.280%0.79983%0.829SS**  trans-117159-170.441.3-33000117
315G40.8Very low46.2Very low79 Ų79129 Ų12981%0.81483%0.832SS**  trans161.9155.4167.600000112.1
316A36.9Very low45.4Very low105 Ų105134.9 Ų134.987%0.86884%0.838SS**  cis-149-175.5-1.900000110.6
317V47.1Very low44.9Very low153 Ų153134.9 Ų134.993%0.92784%0.838SS**  trans-123.5142.4-166.5174.10000113.9
318G50.3Low44.7Very low65 Ų65134.2 Ų134.267%0.6783%0.834SS**  trans123.1158.4162.700000114.4
319P46.8Very low44.8Very low142 Ų142131 Ų13192%0.92283%0.831SS**  cis-112.4-162.99.441.5-31.4000114.3
320L44.2Very low44.4Very low178 Ų178131.2 Ų131.293%0.93283%0.833SS**  trans-123.4140.7-165.1179.272.2000114
321G46Very low44.8Very low64 Ų64134.4 Ų134.466%0.6684%0.838SS**  trans108.2160.1163.500000115
322P40.1Very low43.8Very low142 Ų142140.6 Ų140.692%0.92285%0.845SS**  cis-101.4-171.77.640.1-35000114.1
323R46.5Very low43.1Very low250 Ų250140.1 Ų140.194%0.94384%0.841SS**  trans-114.5127-174.7167.2-178.7169.7159.2-3.6112.3
324G43.4Very low43.4Very low67 Ų67141.8 Ų141.869%0.69184%0.843SS**  trans117103.1145.600000117.1
325E37.3Very low42.3Very low205 Ų205141.7 Ų141.796%0.95884%0.842SS**  -159.2164.2107.1-105.5178.8-179.100109.8
326R36.1Very low42.2Very low246 Ų246141.7 Ų141.793%0.92884%0.843SS**  trans-116.1111.9-172.4-180-173.6-72.8174.3-4.1110.7
327G40.9Very low42.8Very low65 Ų65144.6 Ų144.667%0.6784%0.842SS**PPolyproline II helixtrans-78.5170.217500000114.5
328N33.5Very low42.1Very low167 Ų167144.9 Ų144.989%0.89384%0.844SS**PPolyproline II helixtrans-88.9132.4164.7-73.5-43.2000109.4
329P48.7Very low41.5Very low128 Ų128144.9 Ų144.983%0.83184%0.844SS**PPolyproline II helixtrans-68.5151.2179.4-21.234000114.1
330G41.3Very low41.6Very low76 Ų76146.8 Ų146.878%0.78485%0.846SS**PPolyproline II helixtrans-91173.6170.800000113.8
331E46.9Very low41.4Very low205 Ų205144.2 Ų144.296%0.95884%0.84SS**PPolyproline II helixtrans-75.2138.2-171-63.8172.4110.400114.5
332R36.3Very low41.2Very low253 Ų253144.9 Ų144.996%0.95585%0.846SS**  trans-169.2132.9167.3-176.3-173.7-61.7-175.2-0.8106.8
333G39.5Very low41Very low61 Ų61148 Ų14863%0.62985%0.849SS**  cis159.3146.6-0.800000107.7P335G333-P335 WeakPolarHBondContact O-CD 3.27Å
334E42.9Very low40.4Very low203 Ų203146 Ų14695%0.94985%0.847SS**  trans-82.7136.6-174.3-70.5-168.8108.700114.2
335P42.6Very low40Very low121 Ų121145.7 Ų145.779%0.78684%0.843SS**  trans-141.6119.1161.833.7-13000115.1G333G333-P335 WeakPolarHBondContact O-CD 3.27Å
336G38.1Very low40Very low80 Ų80145.3 Ų145.383%0.82584%0.844SS**  trans90.5142.8142.300000119.3
337I50.9Low39.9Very low166 Ų166138.4 Ų138.485%0.85184%0.84SS**  trans-129.9129.3174.549.8165.3000112.2
338T32.4Very low39.6Very low158 Ų158139.3 Ų139.397%0.96985%0.848SS**  trans-169.3143.2164.33.70000108.4
339G36.9Very low39.6Very low65 Ų65134.1 Ų134.167%0.6783%0.834SS**  cis-170.5158.6-8.100000109.7
340L49.9Very low38.9Very low182 Ų182137.6 Ų137.695%0.95384%0.839SS**  trans-92.1132.2-170.9-77.7167.8000114.6
341P40.1Very low39.2Very low125 Ų125137.2 Ų137.281%0.81284%0.835SS**  trans-139.6139.8136.836-22.4000112.5
342G41.8Very low38.7Very low77 Ų77133.2 Ų133.279%0.79483%0.827SS**  cis151135.6-600000110.9
343E34.5Very low38.6Very low208 Ų208128.8 Ų128.897%0.97282%0.823SS**  trans-121.3150.1174.6-74.8-160109.200112.7
344K34.7Very low38.5Very low208 Ų208128.6 Ų128.690%0.90482%0.821SS**  trans-139.7130.7-172.2173.1-165-73.1-177.50110.7
345G35.4Very low38.6Very low60 Ų60125.5 Ų125.562%0.61982%0.818SS**  trans84.4122.9170.200000112
346M37.4Very low38.2Very low198 Ų198126.7 Ų126.798%0.97581%0.811SS**  cis55.7132.243.3-44.7-176170.900111.7
347A32.9Very low38.2Very low101 Ų101125.9 Ų125.984%0.83580%0.803SS**  cis-158.2168.719.300000113.2
348G34.3Very low38.2Very low83 Ų83123.6 Ų123.686%0.85680%0.802SS**  trans95132.7157.200000115.9
349G33.6Very low38.7Very low58 Ų58122.2 Ų122.260%0.59880%0.795SS**  cis160.3155.7-9.800000113.6
350H33.5Very low39Very low201 Ų201122.3 Ų122.393%0.93180%0.796SS**  trans69137.2-178.4-43.486.4000113
351G48.2Very low39.4Very low68 Ų68119.7 Ų119.770%0.70179%0.79SS**  cis101.4134.223.800000108.5
352P37.2Very low38.8Very low121 Ų121120 Ų12079%0.78680%0.795SS**  cis-121.3-16838.546.1-34.7000112.2
353D34.5Very low38.4Very low161 Ų161119.6 Ų119.686%0.86179%0.791SS**  cis-144.4173.912.5-135-41.7000113.7
354G35.8Very low39.3Very low57 Ų57116.9 Ų116.959%0.58879%0.789SS**  trans-74.6160.3-164.300000117.7
355P46.5Very low39.4Very low138 Ų138113 Ų11390%0.89679%0.785SS**  trans-77.8150.3-176.933.1-36.2000112.9
356K33.8Very low39.6Very low145 Ų145113.9 Ų113.963%0.6379%0.794SS**  trans-124127.1171.4-135.1171.4-172.8-178.40110.6V263V263-K356 HydrophobicContact CB-CD 4.33Å; V263-K356 HydrophobicContact CG2-CD 3.75Å; V263-K356 HydrophobicContact CG2-CG 4.15Å
357G37.4Very low40.4Very low64 Ų64112 Ų11266%0.6679%0.788SS**  trans-77.5157.5-161.900000115.7
358S51.7Low40.5Very low118 Ų118114.3 Ų114.383%0.82579%0.791SS**  trans-62.7140.6158.944.60000110.9
359P41.9Very low40.6Very low129 Ų129113.3 Ų113.384%0.83878%0.781SS**  -117.8177110.9-5.725.9000110.9
360G43Very low41.9Very low66 Ų66116.5 Ų116.568%0.6879%0.791SS**  cis162.4153.8-0.300000109.9
361P58.3Low42.8Very low128 Ų128113.3 Ų113.383%0.83179%0.788SS**  trans-116155.9-146.139.3-30.8000116
362S28.6Very low42.3Very low131 Ų131113.5 Ų113.592%0.91679%0.79SS**  trans-163.8141148.6-79.40000109.2
363G33.9Very low42.6Very low69 Ų69116 Ų11671%0.71180%0.797SS**  cis-171156.1-6.800000111.1
364T52Low42.7Very low151 Ų151115.2 Ų115.293%0.92679%0.788SS**  trans-100.1122.1-176.939.80000112.8
365P37.8Very low42.9Very low127 Ų127114.1 Ų114.183%0.82578%0.776SS**  trans-137.1152.4137.735.7-22.9000111.8
366G38.5Very low42.9Very low78 Ų78114.8 Ų114.880%0.80477%0.769SS**  cis175155.3-5.200000110.5
367D55.2Low43.4Very low159 Ų159111.3 Ų111.385%0.8576%0.761SS**  trans-79.9168.6-178.2-90.7-61.6000114.7
368T35.7Very low43.5Very low148 Ų148111.6 Ų111.691%0.90877%0.765SS**  trans92129.7177.3-38.40000114.2
369G34.7Very low43.4Very low62 Ų62115.4 Ų115.464%0.63977%0.77SS**  cis-176.6-170.40.300000111.9
370P61.1Low43.2Very low125 Ų125121.2 Ų121.281%0.81278%0.775SS**  trans-82.3172.8176.236.3-37.1000112.7
371P53.1Low42.9Very low134 Ų134121.7 Ų121.787%0.8778%0.78SS**  cis-131.1-171.71.842.7-26000115.1
372G36.8Very low42.5Very low72 Ų72124 Ų12474%0.74278%0.784SS**  trans-172163.9171.100000114.5
373L44.4Very low42.6Very low175 Ų175122.9 Ų122.992%0.91678%0.782SS**  trans-142.3161.9-171.9-87.5170.1000114.3
374Q36.3Very low42.9Very low144 Ų144123.3 Ų123.367%0.67379%0.786SS**  trans77.7146154.7-159.8169.1-20.500117.9E478Q374-E478 VanDerWaalsContact NE2-CD 3.35Å; Q374-E478 PolarHBondContact NE2-OE2 3.32Å
375G39.3Very low42.5Very low34 Ų34122.8 Ų122.835%0.35178%0.783SS.*  cis-164-173.80.200000113.8E475G375-E475 VanDerWaalsContact O-CB 3.29Å; G375-E475 WeakPolarHBondContact O-CB 3.48Å
376M47Very low42.9Very low151 Ų151123.2 Ų123.274%0.74479%0.786SS**  trans-103.1147-172.6-69-17074.400114.4E475M376-E475 VanDerWaalsContact CA-CD 3.43Å; M376-E475 VanDerWaalsContact CA-OE1 3.23Å; M376-E475 WeakPolarHBondContact CA-OE1 3.48Å; M376-E475 WeakPolarHBondContact CB-OE1 3.42Å; M376-E475 WeakPolarHBondContact CE-OE1 3.31Å; M376-E475 WeakPolarHBondContact CG-OE1 3.49Å
377P44.6Very low43Very low72 Ų72122.8 Ų122.847%0.46878%0.782SS.*  -155.7151.3105.737.5-18000118.5E475 P476P377-E475 VanDerWaalsContact C-OE1 3.26Å; P377-E475 VanDerWaalsContact CA-OE1 3.32Å; P377-E475 WeakPolarHBondContact CA-OE1 3.44Å; P377-E475 VanDerWaalsContact CD-CB 3.46Å; P377-E475 VanDerWaalsContact N-OE1 3.1Å; P377-P476 VanDerWaalsContact CD-CD 3.48Å; P377-P476 WeakPolarHBondContact CD-O 3.37Å
378G39.6Very low43.2Very low71 Ų71121.6 Ų121.673%0.73278%0.783SS**  trans133.7102.2130.500000119.3
379E48.9Very low43.7Very low198 Ų198124.6 Ų124.693%0.92578%0.783SS**  trans-81.5146.3164.3-66.6-17895.200113.2
380R37.4Very low44.6Very low250 Ų250124.6 Ų124.694%0.94378%0.783SS**  169.2133.8116.8179.8174-62.9-1670.4112.3
381G36.7Very low43.3Very low77 Ų77127 Ų12779%0.79479%0.789SS**  trans169.375.5167.900000115.8
382I51.3Low42.8Very low177 Ų177132.1 Ų132.191%0.90879%0.791SS**  trans-93.5142.3170.849.1167.5000111.5
383A30.2Very low43.1Very low106 Ų106132.6 Ų132.688%0.87680%0.796SS**  trans-154.5132.5174.700000114.3
384G40.8Very low42.8Very low78 Ų78128.2 Ų128.280%0.80479%0.792SS**  trans73.7114139.700000120.4
385T43.9Very low42.9Very low141 Ų141130.2 Ų130.287%0.86581%0.806SS**  trans-93.8143.5161.445.10000111.6
386P44.8Very low43Very low135 Ų135132.3 Ų132.388%0.87783%0.827SS**  trans-69.9148.8180-20.733.6000114.9
387G41.9Very low42.7Very low70 Ų70133.9 Ų133.972%0.72283%0.833SS**  trans-106169.5175.900000114.9
388P57.7Low42.4Very low134 Ų134139.9 Ų139.987%0.8785%0.851SS**  trans-87.6161.4-174.535.3-36.3000114.7
389K46.2Very low42.4Very low211 Ų211140.2 Ų140.292%0.91786%0.855SS**  trans-98.5137.6172.8174.1-174.1178.9-177.30109.4
390G54.7Low42Very low61 Ų61135.6 Ų135.663%0.62985%0.851SS**  cis143.7146.6-0.800000110
391D33.8Very low41.9Very low175 Ų175133.2 Ų133.294%0.93685%0.85SS**  trans-153.9170.8178.4-124.9-37.3000114.4
392R43.5Very low42.1Very low243 Ų243132.9 Ų132.992%0.91785%0.847SS**  trans-128.8120.6-155.8-174.4-173.7-172.3-1804.4117.1
393G42.6Very low41.4Very low82 Ų82130.5 Ų130.585%0.84584%0.841SS**  trans109.6148140.400000118.3
394G37.9Very low41.8Very low82 Ų82130.5 Ų130.585%0.84584%0.841SS**  trans145.8124172.300000113.4
395I38.3Very low41.8Very low187 Ų187129.6 Ų129.696%0.95983%0.832SS**  trans-113.1135.8169.9-62.2170.8000107.4
396G41.1Very low41.3Very low77 Ų77130.7 Ų130.779%0.79483%0.833SS**  trans159.1126169.800000113.8
397E40.1Very low41.1Very low184 Ų184132.2 Ų132.286%0.8683%0.833SS**  trans-82.5151.5-176.4-68.8-176.678.900114.9
398K38.3Very low41.4Very low198 Ų198132.5 Ų132.586%0.86184%0.836SS**  trans64.3104.7133.6-171178.5-173.2175.30120.1
399G39.9Very low40.4Very low79 Ų79130.9 Ų130.981%0.81483%0.834SS**  trans-150.3152.115200000108.9
400A41.4Very low40Very low101 Ų101133 Ų13384%0.83584%0.836SS**  trans-137.2175.1-17100000112.8
401E35Very low39.6Very low199 Ų199133 Ų13393%0.9384%0.837SS**  trans74.6134.5171.3-155.9163.4-139.300114.9
402G40.7Very low39.5Very low70 Ų70132.9 Ų132.972%0.72284%0.835SS**  cis175.6176.5-2.700000109.4
403T36Very low39.6Very low127 Ų127127.3 Ų127.378%0.77983%0.83SS**  cis-162.4148.2-6.454.50000110.9
404A38.8Very low39.6Very low106 Ų106126.6 Ų126.688%0.87682%0.823SS**  trans64.3153.5162.500000119.8
405G42.4Very low40Very low60 Ų60129.1 Ų129.162%0.61983%0.825SS**  cis166.3-178.2-8.100000114.6
406N33.4Very low40Very low164 Ų164128 Ų12888%0.87782%0.82SS**  trans94.9149.1167.6-49.6-73.1000120.7
407D40.1Very low40Very low166 Ų166125.9 Ų125.989%0.88880%0.798SS**  trans-89.9-177-177.9-38.1-93.4000112.9
408G46.9Very low40.6Very low77 Ų77121.3 Ų121.379%0.79478%0.784SS**  cis154142.5-4.500000113.1
409A36.6Very low41Very low99 Ų99117.5 Ų117.582%0.81878%0.78SS**  trans-166.7137.1172.300000109.8
410R38.1Very low41Very low255 Ų255117.2 Ų117.296%0.96278%0.777SS**  70.9127.965.9-160.6173.8-173.5161.13.5114.7
411G46Very low41.7Very low62 Ų62118.9 Ų118.964%0.63978%0.779SS**  trans-135.5-137-172.600000115.7
412L33.3Very low41.9Very low173 Ų173114.6 Ų114.691%0.90678%0.778SS**  trans87.6162.7-160.7-57170.9000113.2
413P44.7Very low42Very low125 Ų125114.7 Ų114.781%0.81278%0.779SS**  cis-123.6-169.6-9.525.7-1.8000113.7
414G42.5Very low43.6Very low68 Ų68114.8 Ų114.870%0.70178%0.781SS**  trans-90.2176.9-176.900000116.8
415P46.8Very low43.6Very low135 Ų135117 Ų11788%0.87778%0.784SS**  trans-86.1143.2-165.433.1-35.8000115.7
416L37.2Very low43.7Very low164 Ų164117.5 Ų117.586%0.85979%0.789SS**  trans-115.6139160.9-166.676.4000107.4
417G41.8Very low44.9Very low32 Ų32119.1 Ų119.133%0.3379%0.792SS.*  trans-106.5-158.5-164.800000116.9P419G417-P419 WeakPolarHBondContact O-CD 3.5Å
418P53.4Low44.9Very low88 Ų88121.7 Ų121.757%0.57180%0.795SS**  trans-93.3126.5-147.832.6-37.1000117.6
419P45.6Very low44.7Very low118 Ų118121.1 Ų121.177%0.76679%0.789SS**  trans-74.8161.3152.3-13.231000112.3G417G417-P419 WeakPolarHBondContact O-CD 3.5Å
420G41.2Very low45.3Very low73 Ų73126 Ų12675%0.75380%0.795SS**  trans-93.9175.6-170.900000117.2
421P54.6Low45.6Very low135 Ų135120 Ų12088%0.87779%0.789SS**  trans-103146.5-167.337.8-34.4000116.5
422A40.1Very low45.5Very low110 Ų110120.7 Ų120.791%0.90980%0.796SS**  trans-162.1149.7156.300000107.9
423G42.9Very low47.1Very low72 Ų72118.8 Ų118.874%0.74279%0.794SS**  cis-157-179.4-4.600000110.3
424P69.9Low46.8Very low128 Ų128124.9 Ų124.983%0.83180%0.801SS**  trans-96.1150.3-158.535.7-36.6000117.4
425T38.7Very low46.7Very low153 Ų153124.9 Ų124.994%0.93980%0.8SS**  trans-173146.5161.4-74.60000106.9
426G44.3Very low47.3Very low70 Ų70126.9 Ų126.972%0.72280%0.803SS**  cis-176.8167.3-3.300000110.1
427E59Low47.6Very low199 Ų199126.3 Ų126.393%0.9381%0.806SS**  trans-96.1147.9-162.1-68.2-171.8112.200118.2
428K39.1Very low47.6Very low219 Ų219127.7 Ų127.795%0.95282%0.82SS**  trans-171.8152.6151.7-108.7167.8-179.7175.60109.4
429G41.9Very low48.3Very low66 Ų66129.6 Ų129.668%0.6883%0.833SS**  cis164130.9-6.300000111.1
430E50.3Low48.4Very low201 Ų201130.2 Ų130.294%0.93984%0.836SS**  trans-94.7148.4-164.4-60.7-175.4111.900116.3
431P44.6Very low48.5Very low130 Ų130130.1 Ų130.184%0.84484%0.836SS**  trans-121148.6145.51.820.7000113.4
432G43.3Very low48.1Very low75 Ų75129.5 Ų129.577%0.77384%0.835SS**  trans-93.8-170.3-16300000120.1
433P67.9Low47.9Very low133 Ų133136.4 Ų136.486%0.86484%0.837SS**  trans-111171-147.841.2-38.9000118.8
434R38.2Very low47.7Very low254 Ų254136 Ų13696%0.95883%0.833SS**  trans-163.6162.2161.3-101.7165.2175.5165.1-1.4108.2
435G40.5Very low46.5Very low67 Ų67137.6 Ų137.669%0.69184%0.835SS**  cis-179.4174.4-1.100000109.9
436L57.9Low47.1Very low178 Ų178136.8 Ų136.893%0.93283%0.832SS**  trans-139.4136.6-171.1-73.5173.3000115.9
437V44Very low46.8Very low152 Ų152137.1 Ų137.192%0.92184%0.835SS**  trans-160.2151.6167.2-1770000106.8
438G41.3Very low46.1Very low61 Ų61133.6 Ų133.663%0.62983%0.833SS**  cis161.5121.8-700000111.3
439P68.9Low46.1Very low128 Ų128135.4 Ų135.483%0.83183%0.834SS**  trans-101.7160.6-167.738.7-37.2000116.5
440P48Very low46.1Very low130 Ų130135.7 Ų135.784%0.84484%0.836SS**  -140.2-173.1107.140.3-27.2000112.4
441G42.7Very low46.1Very low72 Ų72135.5 Ų135.574%0.74284%0.835SS**  cis110.4138.10.500000114.1
442S46.1Very low45.8Very low122 Ų122137.5 Ų137.585%0.85384%0.839SS**  cis-169.9-167.2-8.868.20000111.1
443R37.3Very low45.8Very low254 Ų254136.8 Ų136.896%0.95883%0.831SS**  trans90139.7166.5-157176.4-166.7158.94.4117.8
444G38.5Very low45.6Very low63 Ų63136.8 Ų136.865%0.64983%0.831SS**  cis-175.6176.3-4.800000115.2
445N45Very low45.8Very low163 Ų163131.3 Ų131.387%0.87283%0.826SS**  trans-93.6172.9-166.2-44.9-23.7000113.9
446P49.6Very low45.9Very low135 Ų135131.5 Ų131.588%0.87783%0.828SS**  -154.2167.285.241-22.6000118
447G39.8Very low45.9Very low77 Ų77128.1 Ų128.179%0.79483%0.826SS**  trans149.9127.3162.800000114.5
448S43.8Very low45.7Very low126 Ų126128.1 Ų128.188%0.88183%0.826SS**  trans-150.1134.2-171.454.30000115.9
449R38.9Very low45.7Very low257 Ų257128.3 Ų128.397%0.9783%0.828SS**  trans-173.7132.8162.5-167.4176-171169.22.2108.5
450G42.3Very low44.9Very low71 Ų71133 Ų13373%0.73284%0.835SS**  cis-178.6139.8-11.600000108.7
451E49.6Very low44.5Very low198 Ų198131.4 Ų131.493%0.92583%0.834SS**  trans-76.2152.8-177.9-69.217593.200112.8
452N38.7Very low44.3Very low172 Ų172131 Ų13192%0.9283%0.829SS**  trans-142.4136.6161.6-134.257.9000109.2
453G42.6Very low44.2Very low59 Ų59131.2 Ų131.261%0.60883%0.827SS**  trans-81.9176.3-164.100000116.9
454P64Low44.2Very low133 Ų133128.6 Ų128.686%0.86483%0.826SS**  trans-76.5144.7-176.932.3-35.7000112.7
455T41.7Very low44.3Very low140 Ų140127.8 Ų127.886%0.85982%0.818SS**  trans-142.3124177.3-670000112.9
456G43.3Very low44.3Very low70 Ų70125.4 Ų125.472%0.72281%0.811SS**  trans51.998.5137.500000120
457A57.7Low43.6Very low108 Ų108127.1 Ų127.189%0.89381%0.813SS**  trans-84.4110.6164.500000111.7
458V39.6Very low43.6Very low151 Ų151126.2 Ų126.292%0.91580%0.804SS**  trans-145.1143.1166.8179.20000108.6
459G42.3Very low43.2Very low65 Ų65128.9 Ų128.967%0.6780%0.802SS**  trans104.763.4160.100000117.3A461G459-A461 VanDerWaalsContact C-N 3.28Å; G459-A461 PolarHBondContact O-N 2.59Å
460F52Low43.6Very low226 Ų226122.8 Ų122.899%0.99180%0.796SS**  trans-75.180.3160.8-97.2-85.4000110.8
461A38.4Very low43.5Very low98 Ų98122.4 Ų122.481%0.8179%0.793SS**  trans-160113166.100000109.9G459G459-A461 VanDerWaalsContact C-N 3.28Å; G459-A461 PolarHBondContact O-N 2.59Å
462G39.2Very low43.1Very low62 Ų62120.3 Ų120.364%0.63979%0.793SS**  cis-168.2158.9-9.600000110.3Q464G462-Q464 VanDerWaalsContact C-N 3.31Å; G462-Q464 PolarHBondContact O-N 3.19Å
463P44.2Very low43.2Very low127 Ų127122.2 Ų122.283%0.82579%0.793SS**  trans-77.777-178.132.3-35.3000111.9G465P463-G465 WeakPolarHBondContact O-CA 3.41Å
464Q37.1Very low43.7Very low200 Ų200122.3 Ų122.394%0.93579%0.794SS**  trans-89.2115.1157.2-178.3-174.3-0.100108.3G462G462-Q464 VanDerWaalsContact C-N 3.31Å; G462-Q464 PolarHBondContact O-N 3.19Å
465G40.9Very low42.3Very low46 Ų46120.4 Ų120.447%0.47477%0.774SS.*  cis-153.4145.2-15.600000108.5P463 D467P463-G465 WeakPolarHBondContact O-CA 3.41Å; G465-D467 PolarHBondContact O-N 2.99Å
466P44.5Very low43.3Very low113 Ų113118.2 Ų118.273%0.73476%0.762SS**  trans-78.661.4179.733.7-35.7000111.5G468P466-G468 VanDerWaalsContact O-CA 3.25Å; P466-G468 WeakPolarHBondContact O-CA 3.46Å
467D35.8Very low43.9Very low170 Ų170117.8 Ų117.891%0.90976%0.758SS**THydrogen-bonded Turntrans-73.3116.2165.5-80-28.4000109.1G465G465-D467 PolarHBondContact O-N 2.99Å
468G38.1Very low42.8Very low59 Ų59119.7 Ų119.761%0.60875%0.748SS**THydrogen-bonded Turncis-142.6127.7-16.400000107.9P466 P470P466-G468 VanDerWaalsContact O-CA 3.25Å; P466-G468 WeakPolarHBondContact O-CA 3.46Å; G468-P470 WeakPolarHBondContact O-CD 3.41Å
469Q36.6Very low43.7Very low181 Ų181118.8 Ų118.885%0.84675%0.746SS**  trans-66.9116.7166.2-74.9-170.9-0.700108G471Q469-G471 PolarHBondContact O-N 3.22Å
470P46.6Very low44.1Very low129 Ų129119 Ų11984%0.83875%0.748SS**  trans-64.5114.1174.2-17.233000107.3G468G468-P470 WeakPolarHBondContact O-CD 3.41Å
471G41.7Very low43.5Very low64 Ų64117.6 Ų117.666%0.6674%0.744SS**  trans-58.9151.5-165.500000113.5Q469 K473Q469-G471 PolarHBondContact O-N 3.22Å; G471-K473 PolarHBondContact O-N 2.92Å
472V41.2Very low44Very low154 Ų154122 Ų12293%0.93375%0.745SS**  trans-51.4102.3168.7-890000110.1G474V472-G474 PolarHBondContact O-N 3Å; V472-G474 VanDerWaalsContact O-N 3.1Å
473K40.4Very low44.3Very low211 Ų211122.3 Ų122.392%0.91775%0.748SS**  trans-71.9105.2175.2-176.3174.1179.9178.20108G471G471-K473 PolarHBondContact O-N 2.92Å
474G53.3Low44.2Very low62 Ų62124 Ų12464%0.63975%0.75SS**  trans-68.7174.6-168.300000115.9V472V472-G474 PolarHBondContact O-N 3Å; V472-G474 VanDerWaalsContact O-N 3.1Å
475E34.1Very low44.5Very low92 Ų92119.3 Ų119.343%0.4375%0.745SS.*  trans-63.4126.7179.9-74.5-176.6108.400112.5G375 M376 P377G375-E475 VanDerWaalsContact O-CB 3.29Å; G375-E475 WeakPolarHBondContact O-CB 3.48Å; M376-E475 VanDerWaalsContact CA-CD 3.43Å; M376-E475 VanDerWaalsContact CA-OE1 3.23Å; M376-E475 WeakPolarHBondContact CA-OE1 3.48Å; M376-E475 WeakPolarHBondContact CB-OE1 3.42Å; M376-E475 WeakPolarHBondContact CE-OE1 3.31Å; M376-E475 WeakPolarHBondContact CG-OE1 3.49Å; P377-E475 VanDerWaalsContact C-OE1 3.26Å; P377-E475 VanDerWaalsContact CA-OE1 3.32Å; P377-E475 WeakPolarHBondContact CA-OE1 3.44Å; P377-E475 VanDerWaalsContact CD-CB 3.46Å; P377-E475 VanDerWaalsContact N-OE1 3.1Å
476P62.8Low44.3Very low94 Ų94120.6 Ų120.661%0.6176%0.759SS**  trans-62.3139.1176.6-30.137.4000115.8P377P377-P476 VanDerWaalsContact CD-CD 3.48Å; P377-P476 WeakPolarHBondContact CD-O 3.37Å
477G54.9Low44.1Very low62 Ų62120.8 Ų120.864%0.63976%0.763SS**  trans-90.3-174.2177.300000115.7
478E35.4Very low44.4Very low148 Ų148118.6 Ų118.669%0.69276%0.758SS**  trans-67.3151-177.9-75.9-175.595.800114.6Q374 G480Q374-E478 VanDerWaalsContact NE2-CD 3.35Å; Q374-E478 PolarHBondContact NE2-OE2 3.32Å; E478-G480 PolarHBondContact O-N 2.92Å; E478-G480 VanDerWaalsContact O-N 3.15Å
479P58.9Low44.4Very low132 Ų132119.2 Ų119.286%0.85776%0.764SS**  trans-68.1104.8165.7-1731.8000112.1
480G50.4Low45.6Very low70 Ų70116.6 Ų116.672%0.72276%0.763SS**PPolyproline II helixtrans-67.4160.417100000113.7E478E478-G480 PolarHBondContact O-N 2.92Å; E478-G480 VanDerWaalsContact O-N 3.15Å
481Q39.3Very low45Very low195 Ų195120.2 Ų120.291%0.91177%0.769SS**PPolyproline II helixtrans-65.8151.4-179.3-64.9179.14.400112.8G483Q481-G483 PolarHBondContact O-N 2.84Å
482K48.5Very low44.8Very low192 Ų192120.3 Ų120.384%0.83577%0.77SS**PPolyproline II helixtrans-63.1123.9163.6177.4-167.9-66-176.50109.1
483G45Very low45.5Very low67 Ų67121.9 Ų121.969%0.69177%0.772SS**PPolyproline II helixtrans-78.8140.4165.400000111.9Q481Q481-G483 PolarHBondContact O-N 2.84Å
484D43.9Very low45.3Very low162 Ų162116.7 Ų116.787%0.86677%0.768SS**PPolyproline II helixtrans-75.4169.6164-88.9-56.5000111.5
485A41.5Very low44.4Very low102 Ų102117.1 Ų117.184%0.84377%0.773SS**PPolyproline II helixtrans-63.7145.7-17000000114.2
486G38.6Very low45.2Very low74 Ų74118.6 Ų118.676%0.76379%0.793SS**PPolyproline II helixtrans-70.4159.3-176.600000114.9P488G486-P488 WeakPolarHBondContact O-CD 3.37Å
487S39.5Very low44Very low116 Ų116119.9 Ų119.981%0.81180%0.802SS**PPolyproline II helixtrans-99.2117.4-174.156.20000113.7
488P42.3Very low43.1Very low125 Ų125120 Ų12081%0.81280%0.803SS**PPolyproline II helixtrans-61.7156158.7-21.734.7000112.2G486G486-P488 WeakPolarHBondContact O-CD 3.37Å
489G37.5Very low44.2Very low71 Ų71119.2 Ų119.273%0.73281%0.81SS**  trans-87.2-156-169.900000116.7
490P63Low43Very low127 Ų127122 Ų12283%0.82581%0.812SS**  -125.6-179.9-128.825.6-3000115.9
491Q33.9Very low42.4Very low205 Ų205121.9 Ų121.996%0.95881%0.81SS**  trans81.8137.2174.4-161.3167.4-3600114.9
492G36.7Very low42.6Very low66 Ų66118.7 Ų118.768%0.6881%0.806SS**  cis-160.7-174.97.700000116.9
493L56.6Low41.9Very low186 Ų186117.5 Ų117.597%0.97481%0.809SS**  trans-81120.7-177.3-67.4161.2000111.6
494A35Very low41.6Very low102 Ų102117.2 Ų117.284%0.84381%0.806SS**  trans-161.2122.6157.300000113
495G35.6Very low42Very low71 Ų71116.1 Ų116.173%0.73281%0.805SS**  trans80.9140.4154.100000118.6
496S49.6Very low42Very low123 Ų123117.6 Ų117.686%0.8681%0.806SS**  trans-126.576.1161.458.10000110.2
497P38.1Very low42.4Very low122 Ų122117.4 Ų117.479%0.79280%0.804SS**  trans-91.8133.3-174-1.423000112.9
498G35.4Very low42.2Very low64 Ų64119.8 Ų119.866%0.6681%0.806SS**  trans63.789.8146.200000119.4H500G498-H500 PolarHBondContact O-N 3.02Å
499P58.7Low42.2Very low131 Ų131123.6 Ų123.685%0.85181%0.81SS**  trans-73.3107.216430.4-32.6000111.1
500H33.8Very low42.4Very low191 Ų191123.8 Ų123.888%0.88481%0.812SS**  trans-143.5145.2167.6-91.143.9000108.5G498G498-H500 PolarHBondContact O-N 3.02Å
501G37.2Very low41.4Very low67 Ų67121.6 Ų121.669%0.69181%0.812SS**  cis-151.4172-3.400000111.5
502P44.6Very low41.6Very low128 Ų128124.3 Ų124.383%0.83181%0.814SS**  trans-91.3163.5-16636.3-36.8000114.4
503N33.1Very low41.8Very low168 Ų168124.6 Ų124.690%0.89882%0.817SS**  trans-109.4136.3150.5-111.1-8.3000108.8
504G38.6Very low41.7Very low60 Ų60122.9 Ų122.962%0.61981%0.814SS**  trans-72.4145.4-17000000114.4
505V51.8Low41.6Very low140 Ų140127.7 Ų127.785%0.84882%0.819SS**  63.2112.760.7-52.60000113.8
506P42.7Very low41.9Very low133 Ų133126.8 Ų126.886%0.86481%0.81SS**  -115.1163.388.3-2.623.1000112.7
507G46Very low42.2Very low69 Ų69127.5 Ų127.571%0.71181%0.811SS**  cis120.8127.30.800000112.3
508L35.8Very low42.4Very low166 Ų166127.7 Ų127.787%0.86981%0.813SS**  cis-156.6130.71.6-96.9171.1000113.8
509K42.6Very low42.6Very low206 Ų206128.5 Ų128.590%0.89682%0.821SS**  trans49.2126.3131.6-171.3179.7-179.5179.70123.9
510G41.4Very low42.5Very low75 Ų75127 Ų12777%0.77382%0.819SS**  134.7140.9126.700000118.3
511G42.3Very low42.7Very low80 Ų80125.1 Ų125.183%0.82582%0.822SS**  cis151.481.4-16.200000118.3
512R37.2Very low42.6Very low263 Ų263125 Ų12599%0.99282%0.821SS**  trans-172.9153.7161.6-127.2176.2179.2168.9-0.3108.7
513G41.8Very low42.5Very low72 Ų72129.1 Ų129.174%0.74283%0.826SS**  cis-171.4164.4-6.700000109.4
514T55Low43.6Very low150 Ų150126.9 Ų126.992%0.9282%0.821SS**  trans-110.5128.2-162.550.80000116.7
515Q31.8Very low44Very low203 Ų203127.8 Ų127.895%0.94983%0.83SS**  trans-168.2153.5161.9-164.8168.810.600108
516G43Very low43.6Very low52 Ų52127 Ų12754%0.53683%0.83SS.*  cis177.3153.9-1000000109.4P518G516-P518 WeakPolarHBondContact O-CD 3.18Å
517P56.1Low43.9Very low137 Ų137125.4 Ų125.489%0.8983%0.828SS**  trans-94.5124-165.834.3-33.7000115.5
518P41.2Very low44Very low127 Ų127125.5 Ų125.583%0.82583%0.83SS**  trans-144.5155.8147.138.2-23.7000115.2G516G516-P518 WeakPolarHBondContact O-CD 3.18Å
519G39.4Very low44.3Very low81 Ų81129.8 Ų129.884%0.83584%0.835SS**  trans117.7119.9157.100000116.4
520A56.4Low44.9Very low98 Ų98126.7 Ų126.781%0.8183%0.832SS**  trans-126.6127.4168.400000110.1
521T37.8Very low45.8Very low152 Ų152125.6 Ų125.693%0.93382%0.821SS**  trans-172.7140.9176.15.50000107.5
522G36.7Very low46.6Very low65 Ų65127.7 Ų127.767%0.6782%0.82SS**  cis-159.5168.2-9.200000109.7P524G522-P524 WeakPolarHBondContact O-CD 3.43Å
523F42.4Very low47.9Very low215 Ų215121.2 Ų121.294%0.94381%0.812SS**PPolyproline II helixtrans-81.4130.3-173.8-82.1-95.7000113.9
524P55.3Low48.8Very low121 Ų121120.8 Ų120.879%0.78681%0.808SS**PPolyproline II helixtrans-71.1142.4151.4-13.530.3000110.6G522G522-P524 WeakPolarHBondContact O-CD 3.43Å
525G47.7Very low49Very low79 Ų79119.9 Ų119.981%0.81481%0.805SS**PPolyproline II helixtrans-71.8154.3-173.900000114.9A527G525-A527 PolarHBondContact O-N 2.85Å
526S43.2Very low50.2Low122 Ų122115.1 Ų115.185%0.85380%0.8SS**PPolyproline II helixtrans-73.4120.9177.454.20000112
527A48.3Very low50.7Low100 Ų100116 Ų11683%0.82681%0.809SS**PPolyproline II helixtrans-61.6144.5163.600000110.7G525G525-A527 PolarHBondContact O-N 2.85Å
528G48.2Very low50.5Low72 Ų72114 Ų11474%0.74280%0.804SS**PPolyproline II helixtrans-64.3148.3-170.300000113.8V530G528-V530 PolarHBondContact O-N 3.11Å; G528-V530 VanDerWaalsContact O-N 3.16Å
529R42.3Very low51.6Low256 Ų256114 Ų11497%0.96680%0.804SS**  trans-64.1114169.6-76.2-176.2171.7-134.5-0.2109.5
530V56.1Low52.5Low140 Ų140113.3 Ų113.385%0.84880%0.797SS**PPolyproline II helixtrans-61.4137.3159.2-178.10000107.7G528G528-V530 PolarHBondContact O-N 3.11Å; G528-V530 VanDerWaalsContact O-N 3.16Å
531G59.3Low52.5Low52 Ų52115 Ų11554%0.53680%0.799SS.*PPolyproline II helixtrans-63.1156.917900000112.3
532P60.2Low53.7Low124 Ų124112.6 Ų112.681%0.80580%0.795SS**PPolyproline II helixtrans-58.4138.8172.426.8-33.9000109.7G534P532-G534 PolarHBondContact O-N 2.85Å
533P64.4Low54.5Low128 Ų128112.5 Ų112.583%0.83179%0.794SS**PPolyproline II helixtrans-54137.6173.5-26.235.1000111.2
534G60.2Low55.2Low63 Ų63108.8 Ų108.865%0.64979%0.791SS**PPolyproline II helixtrans-60.4149.5177.200000111.7P532 A536P532-G534 PolarHBondContact O-N 2.85Å; G534-A536 PolarHBondContact O-N 2.9Å
535P59.3Low55.1Low131 Ų131111.3 Ų111.385%0.85180%0.797SS**PPolyproline II helixtrans-58.7138.2178.725.5-34.2000110.6G537P535-G537 PolarHBondContact O-N 3.06Å
536A56Low55Low102 Ų102110.4 Ų110.484%0.84379%0.789SS**PPolyproline II helixtrans-61.2131.9-179.400000110.8G534G534-A536 PolarHBondContact O-N 2.9Å
537G55.2Low55.4Low70 Ų70113.2 Ų113.272%0.72279%0.788SS**PPolyproline II helixtrans-61.7142.9177.600000111.8P535P535-G537 PolarHBondContact O-N 3.06Å
538A51.3Low56.2Low95 Ų95114 Ų11479%0.78579%0.785SS**PPolyproline II helixtrans-58.7136.117900000111.1G540A538-G540 PolarHBondContact O-N 2.9Å
539P64.8Low56.1Low129 Ų129114.4 Ų114.484%0.83879%0.789SS**PPolyproline II helixtrans-57132.2175.6-25.735000111.8
540G57.9Low56.7Low66 Ų66111.6 Ų111.668%0.6878%0.784SS**PPolyproline II helixtrans-64.8147.517600000111.9A538A538-G540 PolarHBondContact O-N 2.9Å
541P56.7Low56Low132 Ų132114.6 Ų114.686%0.85779%0.789SS**PPolyproline II helixtrans-62.6140.417826.9-34.5000111.1
542A61.8Low55Low102 Ų102115.1 Ų115.184%0.84379%0.794SS**PPolyproline II helixtrans-64.2137.6179.600000111.6
543G54.5Low54.8Low64 Ų64115.6 Ų115.666%0.6680%0.797SS**PPolyproline II helixtrans-67.1149.6175.700000112.3
544P56.4Low53.8Low136 Ų136115.8 Ų115.888%0.88380%0.798SS**PPolyproline II helixtrans-66134.9-179.527.4-34.4000111.7
545L54.2Low52.9Low174 Ų174116.3 Ų116.391%0.91180%0.804SS**PPolyproline II helixtrans-73.7136.6176-170.569.1000110.5
546G45.4Very low52Low61 Ų61118.4 Ų118.463%0.62981%0.807SS**PPolyproline II helixtrans-73.5147.8178.100000113.5
547E51.5Low51.1Low181 Ų181124.4 Ų124.485%0.84681%0.808SS**PPolyproline II helixtrans-69.5132.2178.1-66.2-165.1123.800112.5
548P64.8Low50.5Low117 Ų117124 Ų12476%0.7680%0.804SS**PPolyproline II helixtrans-66.5145168.6-22.234.7000113.1
549G45.2Very low49.6Very low80 Ų80125.7 Ų125.783%0.82580%0.799SS**PPolyproline II helixtrans-67.2159.1-179.800000114.5
550K54.8Low49.1Very low197 Ų197125.6 Ų125.686%0.85780%0.799SS**  trans-113.4130.6-179.6-59.5172.7-172.5169.70109.7
551E41.7Very low48.2Very low203 Ų203125.6 Ų125.695%0.94980%0.799SS**  trans-118.8152.4177.6-162161.5-144.700111
552G39.3Very low47.2Very low63 Ų63125.5 Ų125.565%0.64980%0.801SS**  trans-108.9171.3-154.500000117.7
553P54.6Low46.3Very low134 Ų134130.3 Ų130.387%0.8781%0.806SS**  trans-106.6126.6-16937.3-30.6000116.2
554P45.1Very low45.6Very low131 Ų131131 Ų13185%0.85181%0.814SS**  trans-127.8161149.936.7-24.9000111.3
555G40.6Very low44.8Very low75 Ų75136.9 Ų136.977%0.77382%0.818SS**  cis-169.3175.2-1.800000109.5
556L39.5Very low44.5Very low175 Ų175136.1 Ų136.192%0.91682%0.82SS**  trans-94.5140.4-166-69.6164.7000115.8
557R38Very low44.7Very low228 Ų228136 Ų13686%0.8682%0.819SS**  trans50.6141.3139.1-164178.8-172.8166.74.5120.2D559R557-D559 IonicContact NE-OD2 2.9Å; R557-D559 PolarHBondContact NE-OD2 2.88Å; R557-D559 IonicContact NH2-OD2 3.3Å
558G42.5Very low43.9Very low62 Ų62135.9 Ų135.964%0.63982%0.824SS**  cis161.2-179.2-2.400000112.4
559D33Very low43.1Very low129 Ų129141.9 Ų141.969%0.6983%0.832SS**  trans71169.1164.6-49.4-50.1000116.1R557R557-D559 IonicContact NE-OD2 2.9Å; R557-D559 PolarHBondContact NE-OD2 2.88Å; R557-D559 IonicContact NH2-OD2 3.3Å
560P53Low43.6Very low127 Ų127141.3 Ų141.383%0.82583%0.826SS**  -141.6164.1-104.535.9-13.4000120.2
561G40.3Very low43.3Very low67 Ų67138.5 Ų138.569%0.69183%0.828SS**  trans122.6158.313400000122.6
562S35.3Very low43.6Very low129 Ų129133.8 Ų133.890%0.90282%0.824SS**  trans84.4161.8162.978.80000121.1
563H43.6Very low44.5Very low204 Ų204134.3 Ų134.394%0.94483%0.829SS**  trans-111.7159-167-75.4-16.8000114.3
564G39.4Very low44.2Very low79 Ų79134 Ų13481%0.81483%0.827SS**  trans-142.9165.6170.700000113.1
565R38.6Very low44.9Very low259 Ų259134 Ų13498%0.97783%0.827SS**  trans-104.5171.2-169.1-91.6-174.5173.3-174.9-1.1115.4
566V48.6Very low45.5Very low157 Ų157134.7 Ų134.795%0.95283%0.834SS**  trans-81.2148-179.7174.20000113.8
567G49.2Very low45.5Very low60 Ų60130.1 Ų130.162%0.61983%0.829SS**  trans151142.6170.200000109.8
568D35.4Very low46.6Very low177 Ų177126 Ų12695%0.94783%0.832SS**  cis-149.9-168.34.9-104.5-52.7000112.1
569R48.3Very low46.9Very low243 Ų243126.4 Ų126.492%0.91784%0.836SS**  trans-123.7136.9-161.1172.8-171.1175.1-171.40.1116.7
570G54.5Low47.3Very low68 Ų68128.3 Ų128.370%0.70185%0.846SS**  trans91.1157.3156.300000115.7
571P48.3Very low46.8Very low138 Ų138130.2 Ų130.290%0.89684%0.842SS**  cis-128.5-160.740.540.5-24.7000115.4
572A49.6Very low47Very low105 Ų105129 Ų12987%0.86883%0.828SS**  trans-114.5173-170.900000114.5
573G57Low47.1Very low73 Ų73127.2 Ų127.275%0.75381%0.809SS**  trans-133.8-166.3-177.500000115.4
574P48.7Very low47.5Very low129 Ų129122.1 Ų122.184%0.83879%0.794SS**  trans-116.9171.3-174.539.8-28.6000116.1
575P59.3Low47.8Very low131 Ų131120.2 Ų120.285%0.85177%0.774SS**  trans-132.9162.1-162.641.3-25000119.2
576G53Low47.9Very low88 Ų88117.7 Ų117.791%0.90777%0.774SS**  trans107.8135.9137.900000121.1
577G40.7Very low47.7Very low79 Ų79118.7 Ų118.781%0.81477%0.774SS**  trans157.7120.6166.500000115.8
578P61.1Low47.3Very low142 Ų142119.1 Ų119.192%0.92278%0.778SS**  trans-124.2160.2-173.841-30.1000118
579G48.7Very low47.2Very low71 Ų71119.8 Ų119.873%0.73278%0.775SS**  trans147.6160.5169.900000112.8
580D41.4Very low47Very low169 Ų169114.9 Ų114.990%0.90478%0.775SS**  cis-156.4-148.6-15.6-158.4-101.7000111.4
581K41.7Very low46.9Very low167 Ų167115 Ų11573%0.72678%0.776SS**  trans-120.3143.9-153.1-175.9-175.5173.3-159.10118.6D583K581-D583 WeakPolarHBondContact CE-OD1 3.3Å; K581-D583 VanDerWaalsContact CE-OD2 3.3Å; K581-D583 WeakPolarHBondContact CE-OD2 3.14Å; K581-D583 IonicContact NZ-OD1 2.67Å; K581-D583 IonicContact NZ-OD2 2.66Å
582G43.9Very low46.8Very low40 Ų40113.7 Ų113.741%0.41277%0.768SS.*  trans140.3161.1139.100000118.2R614G582-R614 PolarHBondContact O-NH1 3.04Å; G582-R614 VanDerWaalsContact O-NH1 3.11Å
583D37.8Very low46.8Very low93 Ų93116.4 Ų116.450%0.49777%0.768SS.*  cis-168.1-175.4-23.4-105.1-40.3000107.1K581 R614K581-D583 WeakPolarHBondContact CE-OD1 3.3Å; K581-D583 VanDerWaalsContact CE-OD2 3.3Å; K581-D583 WeakPolarHBondContact CE-OD2 3.14Å; K581-D583 IonicContact NZ-OD1 2.67Å; K581-D583 IonicContact NZ-OD2 2.66Å; D583-R614 WeakPolarHBondContact O-CB 3.47Å; D583-R614 VanDerWaalsContact O-O 3.1Å
584P51.9Low46.2Very low97 Ų97116 Ų11663%0.6376%0.764SS**  trans-84172.6-158.1-15.832.4000120.2Q613 R614P584-Q613 CarbonylContact O-C 3.53Å; P584-R614 CarbonylContact C-O 3.51Å; P584-R614 WeakPolarHBondContact CA-O 3.39Å; P584-R614 PolarHBondContact O-N 3.34Å
585G45.8Very low46.3Very low39 Ų39116 Ų11640%0.40276%0.764SS.*  trans-144.9169.8179.300000118.1R614G585-R614 VanDerWaalsContact CA-N 3.31Å; G585-R614 PolarHBondContact N-O 3.19Å
586E40.8Very low45.9Very low206 Ų206115.8 Ų115.896%0.96376%0.762SS**  trans-114.3154.6-176.8-65.1-179.7107.600113.1
587D43.9Very low45.7Very low177 Ų177115 Ų11595%0.94775%0.754SS**  trans-96.3153.7177.4-100-43.4000112.9
588G40.6Very low46.6Very low69 Ų69117.9 Ų117.971%0.71176%0.759SS**  trans-166.599.9177.300000116.3
589Q34.3Very low45.3Very low191 Ų191116.1 Ų116.189%0.89376%0.756SS**  trans52.9106.3156.5-60.1-1761.600119.7
590P44.3Very low45Very low140 Ų140116.4 Ų116.491%0.90976%0.759SS**  trans-83.6133.6158.8-6.825.5000112.1
591G51.9Low45.2Very low70 Ų70114.8 Ų114.872%0.72276%0.755SS**  trans134.7105.4177.200000110.1
592P47.1Very low45Very low111 Ų111113.5 Ų113.572%0.72176%0.762SS**  -142.5147.687.636.2-20.8000116.1
593D49.3Very low44.8Very low163 Ų163114.9 Ų114.987%0.87278%0.776SS**  47.6147.9123.9-44.4-29.5000123.4
594G44.8Very low44.8Very low65 Ų65119.4 Ų119.467%0.6779%0.794SS**  trans-128.9152.3148.100000108.7
595P51Low44Very low128 Ų128126.2 Ų126.283%0.83181%0.807SS**  -138.9-155.871.947.8-32.3000111.1
596P50.6Low43.8Very low127 Ų127127.1 Ų127.183%0.82582%0.817SS**  -129167.1-115.228.5-4.3000116.5
597G47Very low43.8Very low72 Ų72125.2 Ų125.274%0.74281%0.811SS**  trans100.6146.9160.100000115.5
598P60.4Low43.5Very low139 Ų139123.6 Ų123.690%0.90381%0.808SS**  trans-91.9147.7-16935.4-35.5000114.4
599A34.3Very low43.4Very low104 Ų104123.7 Ų123.786%0.8681%0.808SS**  trans-137.7164.2163.800000110.7
600G41.7Very low43.6Very low78 Ų78122.9 Ų122.980%0.80481%0.807SS**  trans-74.1-179-167.200000117.3
601T45.1Very low44.1Very low134 Ų134122.5 Ų122.582%0.82281%0.805SS**  trans-95.6174-161.152.60000115.9
602T38.9Very low43.6Very low140 Ų140122.3 Ų122.386%0.85980%0.802SS**  trans90.5135.5159.9-25.70000114.8
603G39.9Very low43.3Very low70 Ų70124.2 Ų124.272%0.72280%0.802SS**  cis-144.5-16411.300000116.2
604Q36.7Very low42.7Very low187 Ų187124.1 Ų124.187%0.87479%0.789SS**  trans-106.7167.3-155.8-58.6172.3-2400116.6
605R35.9Very low42.9Very low240 Ų240123.4 Ų123.491%0.90678%0.782SS**  trans120.7131.2135.9-166.7-175.7-61.6-1730.7114.7
606G42.3Very low42.3Very low58 Ų58124.6 Ų124.660%0.59878%0.776SS**  cis-172.2139.5-10.200000111.6
607I39.6Very low41.5Very low166 Ų166129 Ų12985%0.85178%0.776SS**  78.2141.497.5-54.5167.8000115.4
608V36.9Very low41.1Very low144 Ų144128.8 Ų128.887%0.87377%0.774SS**  trans92.8116.6176-169.90000114.7
609G38.8Very low39.9Very low70 Ų70131.4 Ų131.472%0.72278%0.776SS**  cis-166.2173.6-0.400000115.4
610M39.8Very low40.2Very low174 Ų174132.7 Ų132.786%0.85778%0.776SS**  trans-145.8163.3-176.4-86.8-164.985.600108.5
611P54Low40.3Very low133 Ų133132.3 Ų132.386%0.86477%0.772SS**  cis-138.3-176.945.534.8-12.1000115.4
612G42.3Very low40Very low65 Ų65134 Ų13467%0.6778%0.776SS**  cis146.4172.63.500000110.6
613Q40.3Very low40.4Very low152 Ų152133.4 Ų133.471%0.7177%0.774SS**  cis176.2135-10.4175.7-151.4107.500109.9P584P584-Q613 CarbonylContact O-C 3.53Å
614R36.7Very low40.8Very low161 Ų161133.1 Ų133.161%0.60877%0.771SS**  trans130.6115.5151174.6-168.9-76.6170.4-9.8119.5G582 D583 P584 G585G582-R614 PolarHBondContact O-NH1 3.04Å; G582-R614 VanDerWaalsContact O-NH1 3.11Å; D583-R614 WeakPolarHBondContact O-CB 3.47Å; D583-R614 VanDerWaalsContact O-O 3.1Å; P584-R614 CarbonylContact C-O 3.51Å; P584-R614 WeakPolarHBondContact CA-O 3.39Å; P584-R614 PolarHBondContact O-N 3.34Å; G585-R614 VanDerWaalsContact CA-N 3.31Å; G585-R614 PolarHBondContact N-O 3.19Å
615G48.5Very low41.2Very low50 Ų50130.4 Ų130.452%0.51577%0.77SS.*  trans68.8162.814700000119.7
616E37.8Very low41.4Very low152 Ų152124.2 Ų124.271%0.7177%0.77SS**  cis-152.5147-1.1-114-152.9-167.900112.4
617R34.7Very low41.4Very low220 Ų220125 Ų12583%0.8378%0.778SS**  trans65.5119.6141.1-168.4-162.2-50.7-152.32.2121.7
618G39Very low41.4Very low67 Ų67123.8 Ų123.869%0.69178%0.779SS**  trans133.5131.6134.700000117.5
619M35.5Very low41.8Very low194 Ų194123.3 Ų123.396%0.95678%0.778SS**PPolyproline II helixtrans-73.7129.3176.3-63.7176.1-179.300112.1G621M619-G621 PolarHBondContact O-N 3.11Å
620P40.7Very low41.9Very low131 Ų131123.6 Ų123.685%0.85178%0.781SS**PPolyproline II helixtrans-71124.8167.3-19.333.6000111.9
621G44Very low42Very low71 Ų71125.3 Ų125.373%0.73278%0.784SS**PPolyproline II helixtrans-75.8172.8169.100000113M619M619-G621 PolarHBondContact O-N 3.11Å
622L38.8Very low41.2Very low170 Ų170126.1 Ų126.189%0.8979%0.786SS**PPolyproline II helixtrans-58.4145.4-177.7-73.1163.2000112.9G624L622-G624 PolarHBondContact O-N 2.98Å
623P47.1Very low41.1Very low126 Ų126126 Ų12682%0.81878%0.784SS**PPolyproline II helixtrans-59.2128.7-177-25.835.1000114.2
624G47.1Very low42.1Very low65 Ų65124.8 Ų124.867%0.6779%0.789SS**PPolyproline II helixtrans-80.8159.9172.300000113.3L622L622-G624 PolarHBondContact O-N 2.98Å
625P45.5Very low42.1Very low130 Ų130124 Ų12484%0.84480%0.803SS**PPolyproline II helixtrans-70150.8179.729.9-35.6000112.7G627P625-G627 PolarHBondContact O-N 3.26Å
626A39.9Very low41.7Very low109 Ų109124.8 Ų124.890%0.90181%0.811SS**PPolyproline II helixtrans-64.1131.517600000111.5
627G42.1Very low41.8Very low75 Ų75121.7 Ų121.777%0.77381%0.812SS**PPolyproline II helixtrans-90.8169-165.100000116.4P625P625-G627 PolarHBondContact O-N 3.26Å
628T40.5Very low42.1Very low141 Ų141118 Ų11887%0.86581%0.813SS**PPolyproline II helixtrans-85.8138.6172.844.60000111.6
629P45.5Very low42.5Very low134 Ų134117.9 Ų117.987%0.8781%0.813SS**PPolyproline II helixtrans-71.6132.4-174.4-22.734.8000115.6
630G40.7Very low42.6Very low75 Ų75116.5 Ų116.577%0.77381%0.809SS**  trans68.6102141.500000119.2
631K40.7Very low42.4Very low210 Ų210119.5 Ų119.591%0.91381%0.809SS**  trans-102.4141.6149.3-74.5-169.2175.3-175.20109.9
632V38.4Very low42.4Very low151 Ų151118.8 Ų118.892%0.91580%0.802SS**  trans-69.4154.7-176.8177.70000111
633G39.6Very low43.4Very low61 Ų61117.3 Ų117.363%0.62980%0.802SS**  trans-66.4174.6-165.400000117.5
634P61.2Low43Very low127 Ų127117.1 Ų117.183%0.82580%0.801SS**  trans-87.3171.8-163.436.4-38.3000114
635T36.9Very low42.8Very low145 Ų145117.4 Ų117.489%0.8980%0.804SS**  trans-126.2130.3151.4-560000107.7
636G40.2Very low43.7Very low67 Ų67117.4 Ų117.469%0.69180%0.804SS**  trans-84.4-162.2178.500000112.5
637A39Very low43.5Very low87 Ų87119.5 Ų119.572%0.71981%0.805SS**  cis-157.1-176.70.900000109.1
638T41Very low43.8Very low141 Ų141118.8 Ų118.887%0.86580%0.798SS**  trans56.9119173.338.80000115.3
639G47Very low45Very low66 Ų66118 Ų11868%0.6880%0.795SS**  cis78.3104.311.600000111.9
640D38.3Very low45Very low165 Ų165117.9 Ų117.988%0.88279%0.794SS**  -159.5155.1123.5-132.1-29.8000114.4
641K37.3Very low45.6Very low194 Ų194117.9 Ų117.984%0.84379%0.794SS**  trans62.4107.2153-152.1169.7-165.2170.40122.3
642G43.6Very low45.2Very low56 Ų56113.6 Ų113.658%0.57779%0.791SS**  77.3103.8127.400000118.5P644G642-P644 VanDerWaalsContact O-CD 3.27Å; G642-P644 WeakPolarHBondContact O-CD 3.45Å
643P58.9Low45.1Very low138 Ų138114.3 Ų114.390%0.89679%0.79SS**  trans-80.9127.7-176.631.9-34.2000113.8
644P40.4Very low45.8Very low122 Ų122114.5 Ų114.579%0.79279%0.792SS**  trans-127.4156.7171.625.4-3.3000114.5G642G642-P644 VanDerWaalsContact O-CD 3.27Å; G642-P644 WeakPolarHBondContact O-CD 3.45Å
645G42.7Very low45.6Very low72 Ų72114.5 Ų114.574%0.74279%0.792SS**  trans51104.5143.800000120.1
646P64Low45.5Very low130 Ų130114.4 Ų114.484%0.84479%0.791SS**  trans-75.9138.7169.832.4-34.2000112.4
647V35Very low46Very low152 Ų152114.2 Ų114.292%0.92179%0.789SS**  trans-168.1155.7153131.20000109.1
648G47.8Very low46.5Very low61 Ų61119.2 Ų119.263%0.62980%0.798SS**  trans-108.1-122.7-177.900000115.5
649P65.9Low46.6Very low124 Ų124118.5 Ų118.581%0.80580%0.795SS**  -124.8149.5-111.938-26.5000115.7
650P46.8Very low46.8Very low131 Ų131118.7 Ų118.785%0.85180%0.797SS**  -145.9-178.911435.5-18.2000112.6
651G53.5Low47.2Very low75 Ų75116.8 Ų116.877%0.77379%0.794SS**  cis125.2114.1-4.100000114
652S31.7Very low47.3Very low120 Ų120117.3 Ų117.384%0.83980%0.799SS**  trans-161.6158.3173.957.10000113.6
653N36.1Very low47.8Very low166 Ų166117.7 Ų117.789%0.88880%0.804SS**  trans-107.8175.7-161-63-30.8000116.7
654G54.3Low47.4Very low66 Ų66117.2 Ų117.268%0.6880%0.801SS**  trans-76.2-152.2159.200000113.2
655P57.8Low47.3Very low126 Ų126116.5 Ų116.582%0.81881%0.805SS**  cis-103.7-139.824.75.919.4000114.3
656V34.9Very low47.4Very low143 Ų143116.6 Ų116.687%0.86781%0.805SS**  cis-155.8-179.314.6-1480000111.1
657G50.1Low46.1Very low64 Ų64117.7 Ų117.766%0.6681%0.805SS**  trans-169.1-165.8175.900000117.4
658E48.4Very low46.1Very low192 Ų192118.1 Ų118.190%0.89780%0.801SS**  trans68.2161.1178-65.6-156.4140.500119.1
659P43.3Very low45.7Very low125 Ų125118.1 Ų118.181%0.81280%0.802SS**  cis-125.3-167.5-11.729-6.4000113.6
660G52.5Low44.3Very low70 Ų70119.1 Ų119.172%0.72281%0.806SS**  trans-140.4176.4173.900000114.6
661P47.2Very low44.3Very low126 Ų126118.9 Ų118.982%0.81880%0.804SS**  trans-149.4154.1160.239.8-22.5000118.8
662E38.3Very low43.9Very low204 Ų204118.6 Ų118.695%0.95380%0.801SS**  trans60.5158143.4-147.5159.9-13500123.1
663G54Low44.1Very low65 Ų65123.6 Ų123.667%0.6780%0.802SS**  trans-175.7161.6177.300000115.9
664P50Low44Very low128 Ų128121.9 Ų121.983%0.83179%0.793SS**  trans-137.8149.9-176.639.8-21.9000119.8
665A39.9Very low43.8Very low107 Ų107122.7 Ų122.788%0.88480%0.801SS**  trans47.7131.1143.100000126.1
666G43.1Very low42.6Very low73 Ų73121.4 Ų121.475%0.75380%0.801SS**  124.782.5112.800000124.2
667N37.8Very low42.7Very low154 Ų154121.7 Ų121.782%0.82480%0.803SS**  trans47.8159.9136.2-78.530.6000128
668D34.1Very low42.3Very low160 Ų160122.2 Ų122.286%0.85681%0.808SS**  trans79.2158.1158.3-62.3-8.6000121.6
669G40.1Very low41.5Very low62 Ų62120.7 Ų120.764%0.63980%0.801SS**  trans-167.6-134.4-16500000117.4
670T35.4Very low41.3Very low144 Ų144125 Ų12588%0.88380%0.801SS**  trans72.1171.7-167.8810000114.8
671P47Very low40.8Very low127 Ų127124.5 Ų124.583%0.82580%0.795SS**  cis-123.4-173-14.429.5-7.8000113
672G46.8Very low40.4Very low69 Ų69126.4 Ų126.471%0.71180%0.799SS**  trans-146.6-177.4174.300000112.9
673R35.1Very low40.5Very low225 Ų225128.5 Ų128.585%0.84980%0.798SS**  trans-168.5150.1166.5-114.5-169152165.8-1.6117.1
674D34.6Very low39.7Very low130 Ų130128.4 Ų128.470%0.69580%0.797SS**  trans43.1119.8146-51.9-14.7000121.3
675G49.8Very low39.5Very low83 Ų83129.5 Ų129.586%0.85680%0.796SS**  trans-114.2-167.9173.700000114.6
676A32.4Very low39.7Very low98 Ų98130.8 Ų130.881%0.8180%0.795SS**  trans-152.4125.3176.200000114.7
677V37.8Very low39.5Very low150 Ų150130.3 Ų130.391%0.90979%0.791SS**  trans40.8113.9141.1-170.30000120.9
678G40.6Very low40.7Very low74 Ų74129.7 Ų129.776%0.76380%0.795SS**  trans86.8136.8145.100000116.9
679E32.6Very low40.9Very low161 Ų161127.1 Ų127.175%0.75280%0.796SS**  cis-137.91550.2-104-152.891.800111
680R37.2Very low40.8Very low216 Ų216127.2 Ų127.282%0.81580%0.797SS**  trans43.583.7150.4-163-178.1-49.2-148.51117.2
681G43.5Very low41.5Very low59 Ų59128.8 Ų128.861%0.60880%0.799SS**  trans-64.4142178.900000115.4
682D38.7Very low41.6Very low166 Ų166129 Ų12989%0.88880%0.8SS**  44.6121.2118-47.3-41000119.1
683R40.4Very low41.2Very low247 Ų247129.5 Ų129.593%0.93281%0.806SS**  trans-109.2104.2150.7-173.5176.9-170.7154.15.6108.7
684G37.3Very low42Very low64 Ų64124.5 Ų124.566%0.6681%0.806SS**  trans-119.8137.8168.300000111
685D44.7Very low42.5Very low151 Ų151128 Ų12881%0.80782%0.817SS**  trans-65147.5161.1-43.1-89000108.8
686P44.6Very low41.9Very low133 Ų133127.5 Ų127.586%0.86481%0.813SS**  -140.5-157.56042.2-22.5000111.4
687G38.3Very low42.7Very low64 Ų64127.8 Ų127.866%0.6682%0.815SS**  cis-177.2179.78.400000111.4
688P64.1Low43Very low141 Ų141126.9 Ų126.992%0.91681%0.813SS**  trans-99.4125.9-157.334.7-33.8000117.6
689A36.8Very low43.1Very low106 Ų106126.7 Ų126.788%0.87681%0.811SS**  trans-160.7159.715400000108.3
690G39.9Very low43.4Very low64 Ų64125.5 Ų125.566%0.6681%0.814SS**  cis-173.6-175.5-3.900000110.9
691L49.3Very low43.8Very low176 Ų176121.5 Ų121.592%0.92182%0.816SS**  trans-132.4149.9173-63174.1000109.5
692P48.4Very low43.8Very low131 Ų131122 Ų12285%0.85182%0.822SS**  cis-132.6168.714.442-26.6000116.1
693G39.8Very low44.4Very low81 Ų81120.4 Ų120.484%0.83582%0.82SS**  trans163156168.100000112.5
694S50.9Low44.4Very low120 Ų120115.8 Ų115.884%0.83982%0.82SS**  trans-138.1143.4-173.462.20000115.4
695Q44.6Very low45.4Very low202 Ų202116.3 Ų116.394%0.94482%0.824SS**  trans92.3120.5158.8-163.9177.3-2.100118.9
696G38.2Very low45.1Very low74 Ų74113.7 Ų113.776%0.76382%0.824SS**  trans164.4136.8165.700000111.8
697A49.6Very low45.6Very low104 Ų104113.9 Ų113.986%0.8683%0.825SS**  trans-139117.8-175.500000113.9
698P43.8Very low46.1Very low131 Ų131114.1 Ų114.185%0.85183%0.828SS**  trans-87.1177.4156.636.9-32.3000110.5
699G41.9Very low45Very low70 Ų70115.6 Ų115.672%0.72283%0.828SS**  cis169.8-171.2-100000110.6
700T38.6Very low45.2Very low135 Ų135115.1 Ų115.183%0.82882%0.824SS**  trans-138.6152.1179.6530000113
701P46Very low45.3Very low132 Ų132115.7 Ų115.786%0.85783%0.83SS**  trans-61.5153.8170.7-21.733.9000113.5
702G43.5Very low45.6Very low71 Ų71115.4 Ų115.473%0.73282%0.824SS**  trans-108.1165.7-176.400000115.5
703P52.1Low45.3Very low131 Ų131119.9 Ų119.985%0.85182%0.824SS**  trans-96.3171.5-177.338.8-36.4000114.4
704V40.8Very low45.6Very low151 Ų151118.8 Ų118.892%0.91581%0.812SS**  trans-113.6147.2163.8177.40000108.5
705G57.7Low45.8Very low74 Ų74120.9 Ų120.976%0.76382%0.815SS**  trans-159.1-179.5-17800000114.4
706A38.5Very low45.7Very low97 Ų97117.7 Ų117.780%0.80281%0.811SS**  trans-164.3177.9176.500000109.6
707P54Low45.7Very low136 Ų136118 Ų11888%0.88381%0.814SS**  -115.3-175.6-78.337-23.6000111.7
708G50Low46.4Very low69 Ų69119.1 Ų119.171%0.71182%0.816SS**  trans-151.5-179.8176.300000112.8
709D41.6Very low46.2Very low172 Ų172124.9 Ų124.992%0.9282%0.821SS**  trans-159.9176.2170.9-128.5-41000114.5
710A39.8Very low46.3Very low97 Ų97124.6 Ų124.680%0.80282%0.818SS**  trans-72.3171.8-166.500000117
711G42.5Very low46.9Very low76 Ų76124.5 Ų124.578%0.78482%0.819SS**  cis-171.2-167.59.200000115.1
712Q55Low46.6Very low170 Ų170126.5 Ų126.579%0.79482%0.821SS**  trans-73.3148.5-170.4-55.7174.8-0.600113.6
713R43Very low46.7Very low224 Ų224126 Ų12685%0.84582%0.816SS**  179.4163.456.3-178.1172.7-63.9156.45.6108.7
714G46.3Very low47Very low58 Ų58126.2 Ų126.260%0.59882%0.817SS**  cis175.8-164.90.700000111.3
715D53.8Low47.2Very low165 Ų165125.1 Ų125.188%0.88281%0.813SS**  trans-95.9144-152.9-44-91000118.2
716P42.1Very low46.7Very low134 Ų134125.3 Ų125.387%0.8782%0.815SS**  -143.2164.3106.339.1-26.7000113.5
717G39.5Very low47.6Very low80 Ų80133.1 Ų133.183%0.82582%0.824SS**  cis-179153-2.800000110.3
718S63.6Low46.8Very low128 Ų128131.7 Ų131.790%0.89582%0.824SS**  trans-87.2151.3-164.159.60000116.7
719R39Very low46.8Very low253 Ų253132 Ų13296%0.95583%0.827SS**  trans-126.6135.7162.9-167.7170.1-176.81641.3111.3
720G45.6Very low47.5Very low64 Ų64134.5 Ų134.566%0.6683%0.829SS**  trans-93-175.5-162.600000117.8
721P51.5Low47.5Very low133 Ų133141.8 Ų141.886%0.86484%0.836SS**  trans-83.3158.8-167.634-37.2000114.9
722I38.9Very low47.7Very low174 Ų174141.1 Ų141.189%0.89283%0.829SS**  trans-124.3146.1166.6-70.5179.3000108.4
723G45.5Very low47.4Very low60 Ų60141.3 Ų141.362%0.61984%0.835SS**  trans-82.4177.9-157.900000118.2
724P58Low47.4Very low135 Ų135136.8 Ų136.888%0.87783%0.834SS**  trans-96.4133.9-166.235.5-34.4000115.9
725P46.3Very low47.4Very low129 Ų129137.4 Ų137.484%0.83884%0.841SS**  trans-125.9149.5150.836.9-26000111.2
726G46.3Very low47.1Very low78 Ų78136.1 Ų136.180%0.80484%0.842SS**  cis-170.7163.1-5.500000108.3
727R56.6Low47.1Very low261 Ų261139 Ų13999%0.98584%0.844SS**  trans-107.8117.2-161.7-153.1-174.9-162.3-165.78.2115.3
728A38.3Very low47.4Very low106 Ų106138.3 Ų138.388%0.87684%0.836SS**  trans-162.6156.7162.600000109
729G49.5Very low46.5Very low76 Ų76138.9 Ų138.978%0.78484%0.837SS**  cis-170.3155.9-6.600000109.2
730K55.9Low46.6Very low223 Ų223138.3 Ų138.397%0.9784%0.835SS**  trans-86.9144.8-167-70.1-171.9178.5-175.70115.8
731R39.7Very low46.4Very low251 Ų251138.7 Ų138.795%0.94784%0.838SS**  trans-164.3149.4160.4-167.5175.5-63176.61.7107.1
732G48.4Very low46Very low62 Ų62140.4 Ų140.464%0.63984%0.84SS**  cis-169.2-166.8-5.900000109
733L48.4Very low45.8Very low174 Ų174142.1 Ų142.191%0.91184%0.841SS**  trans-136.9131.4177.5-76172.4000112.7
734P42.2Very low45.5Very low128 Ų128142.8 Ų142.883%0.83185%0.848SS**PPolyproline II helixtrans-77.8156.3162.4-13.130.4000112.5
735G46.1Very low45Very low72 Ų72143.7 Ų143.774%0.74285%0.846SS**PPolyproline II helixtrans-99169.2-177.400000115.3
736P47.1Very low44.6Very low138 Ų138147.1 Ų147.190%0.89685%0.85SS**PPolyproline II helixtrans-81.8155.5-175.733.7-36.1000113.9
737Q42.7Very low44.2Very low195 Ų195146.8 Ų146.891%0.91185%0.846SS**  trans-107.9138.8174.2-175.5172.6-4.500110.2
738G45.5Very low43.9Very low64 Ų64142.5 Ų142.566%0.6684%0.843SS**  trans-80.9158-174.300000115
739P44.7Very low43.9Very low140 Ų140149.4 Ų149.491%0.90985%0.846SS**  trans-76.1155.718032.4-35.8000112.9
740R42.5Very low43.6Very low242 Ų242149.4 Ų149.491%0.91385%0.846SS**  trans-116.2126.7170.3179.9177.5178.9172.3-0.6107.6
741G41.3Very low43.3Very low71 Ų71147 Ų14773%0.73284%0.844SS**  trans-78.5161.4-163.900000116.7
742D41.3Very low43.2Very low169 Ų169146.8 Ų146.890%0.90484%0.843SS**  trans-81.6167.9-176.7-49.3-80000113.7
743K35.4Very low42.8Very low210 Ų210147.6 Ų147.691%0.91385%0.852SS**  trans-148.9103.8172.5-168.6-163.6176.2-167.80114.2
744G39Very low42.4Very low74 Ų74148 Ų14876%0.76385%0.849SS**  trans8794.2132.600000118.5
745D47.8Very low42.4Very low155 Ų155151.8 Ų151.883%0.82985%0.852SS**  trans-81.9148.7164.1-51.4-76.4000112.6
746H37.7Very low42.1Very low201 Ų201151.7 Ų151.793%0.93185%0.851SS**  trans-165.8134.2153.9-103.764.3000107.3
747G38.3Very low42.2Very low70 Ų70153 Ų15372%0.72285%0.845SS**  cis-172158.4-7.100000110.6
748D51.1Low42Very low171 Ų171156 Ų15691%0.91485%0.848SS**  trans-76.9152.6-166.8-68.2-69.4000116.4
749R37.6Very low41.7Very low251 Ų251156 Ų15695%0.94785%0.847SS**  trans-146.987.8161.7-162.4179-172.9172.85.3115.5
750G42.6Very low41.2Very low76 Ų76159.6 Ų159.678%0.78485%0.849SS**  trans85.494.3137.300000118.6
751D50.5Low41.1Very low173 Ų173154.8 Ų154.893%0.92585%0.847SS**  trans-67.5155.7170-91.5-58.3000115.1
752R36.5Very low41Very low247 Ų247154.9 Ų154.993%0.93285%0.848SS**  trans-149.292.6165.4-157.9179.4-162.8-177.67.4115.7
753G40.9Very low40.8Very low79 Ų79155.2 Ų155.281%0.81485%0.849SS**  trans83105.714600000117.9
754Q38.9Very low40.9Very low182 Ų182154.2 Ų154.285%0.8585%0.848SS**  trans-84162.4170.2-62.7-175.27.600112.8
755K43.8Very low40.8Very low207 Ų207153.6 Ų153.690%0.984%0.841SS**  trans-122.2142172.5-164.9175.7-178.2-179.10109.8
756G38.4Very low40.4Very low71 Ų71154.6 Ų154.673%0.73285%0.846SS**  trans-70.7174.9-157.200000119.2
757H49.8Very low40.8Very low166 Ų166150.9 Ų150.977%0.76984%0.839SS**  trans-110.5152.7-160.6-38.8-97.9000115.6
758R37.9Very low41Very low258 Ų258150.4 Ų150.497%0.97483%0.834SS**  -179.2147.7117-102.6176.8171.2167.2-2.2109.8
759G39.8Very low41Very low62 Ų62148.4 Ų148.464%0.63983%0.83SS**  cis159.6157.8-7.500000111.4
760F34Very low41.4Very low217 Ų217142.6 Ų142.695%0.95283%0.825SS**  trans-152.4150.2166.6-105.5-78.3000110.3
761T40.1Very low41.5Very low141 Ų141142.3 Ų142.387%0.86582%0.823SS**  trans-117.3142.4173.648.70000109.2
762G40.6Very low41.6Very low73 Ų73140.1 Ų140.175%0.75382%0.818SS**  cis174.2-177.9-1.800000109.5
763L36.3Very low41.6Very low175 Ų175136.8 Ų136.892%0.91682%0.818SS**  trans-144.8130172.7-114.5169.4000113.1
764Q36.8Very low41.7Very low190 Ų190136.1 Ų136.189%0.88881%0.811SS**  trans-68.9144.7163.7175.2-174.822.200109.5
765G36.8Very low42.2Very low61 Ų61137.5 Ų137.563%0.62982%0.818SS**  cis-180152.4-700000108.7
766L40.7Very low42Very low176 Ų176136.9 Ų136.992%0.92182%0.818SS**PPolyproline II helixtrans-91.7125.7-175-75.6168.9000112.5
767P45.5Very low42.5Very low122 Ų122136.9 Ų136.979%0.79282%0.818SS**PPolyproline II helixtrans-64.7152.1168.6-2234.9000113
768G43.3Very low42.1Very low60 Ų60134.9 Ų134.962%0.61982%0.823SS**PPolyproline II helixtrans-81.5170.1-174.300000115.9P770G768-P770 WeakPolarHBondContact O-CD 3.31Å
769P49.7Very low42.4Very low129 Ų129127.5 Ų127.584%0.83882%0.817SS**PPolyproline II helixtrans-77.3126.3-174.530.2-34.4000113.3
770P46.4Very low42.9Very low129 Ų129127.9 Ų127.984%0.83882%0.821SS**PPolyproline II helixtrans-76139.9171.6-17.133.3000112.9G768G768-P770 WeakPolarHBondContact O-CD 3.31Å
771G44.8Very low43.4Very low71 Ų71125.8 Ų125.873%0.73282%0.818SS**  trans-73.2177.2-167.200000118.4
772P53.2Low44Very low127 Ų127125 Ų12583%0.82582%0.815SS**  trans-83.1149.5-178.235.1-35.8000113.1
773N36.3Very low44.1Very low176 Ų176124.8 Ų124.894%0.94181%0.813SS**  trans-173.3141.7158.7-100.9-21.5000107.3
774G42.2Very low45.1Very low65 Ų65122.2 Ų122.267%0.6781%0.807SS**  cis-175.5162.2-6.900000108.5Q776G774-Q776 PolarHBondContact O-N 3.49Å
775E50.1Low45.4Very low211 Ų211122.9 Ų122.999%0.98681%0.807SS**  trans-68.6127.4179.4-65.8-172.3131.400111.4
776Q40.2Very low45.7Very low195 Ų195123.5 Ų123.591%0.91181%0.813SS**  trans-116.4128.6173.6-169.5175-51.800109.9G774G774-Q776 PolarHBondContact O-N 3.49Å
777G48.5Very low46.6Very low71 Ų71120.6 Ų120.673%0.73281%0.805SS**  trans-74.2179.3-165.500000117
778S40.7Very low46.4Very low123 Ų123127.2 Ų127.286%0.8681%0.814SS**PPolyproline II helixtrans-53.5134.6-175.754.10000114.6
779A44.5Very low46.6Very low103 Ų103126.9 Ų126.985%0.85181%0.811SS**PPolyproline II helixtrans-71.1148.8178.300000113.6
780G50Low46.8Very low70 Ų70127 Ų12772%0.72281%0.812SS**PPolyproline II helixtrans-81.3170.117700000114.8
781I45.4Very low47Very low173 Ų173127 Ų12789%0.88781%0.812SS**PPolyproline II helixtrans-71.6135.7-171.5-59.2168.8000111.7
782P52.2Low47.2Very low125 Ų125126.8 Ų126.881%0.81281%0.81SS**PPolyproline II helixtrans-72.9157.1-176.9-2033.6000116.6
783G42.3Very low47.2Very low68 Ų68127.3 Ų127.370%0.70181%0.813SS**  trans-124166.2167.700000112.9
784P57.1Low48.2Very low121 Ų121125.8 Ų125.879%0.78681%0.81SS**  trans-108.5146.5-144.50.122.1000118.9
785F44Very low48.7Very low204 Ų204125.6 Ų125.690%0.89581%0.808SS**  trans73.5141.8143.6-91.5-78000124.3
786G42.4Very low48.8Very low74 Ų74122 Ų12276%0.76380%0.803SS**  trans165.394.116000000114.9
787P60.3Low49.3Very low116 Ų116118.6 Ų118.675%0.75380%0.8SS**  trans-106.2126.9-173.335.9-29.1000115.5
788R40.8Very low49.6Very low260 Ų260118.9 Ų118.998%0.98180%0.804SS**  trans-171.2145.4167.8-158.7170.7-178.4173-0.1109.1
789G46.9Very low49.8Very low54 Ų54123.1 Ų123.156%0.55781%0.807SS**  cis-177.4158.9-7.800000108.7
790P53.8Low49.7Very low131 Ų131127.8 Ų127.885%0.85181%0.811SS**  trans-80.2132.4-163.929.9-35.4000115.3
791P51.7Low49.5Very low130 Ų130127.7 Ų127.784%0.84481%0.81SS**  trans-78.6159.2168.1-15.932.5000114.2
792G49.1Very low49.5Very low66 Ų66127.3 Ų127.368%0.6881%0.81SS**  trans-96.3-175.9-173.100000116.9
793P52.3Low49.6Very low138 Ų138127.5 Ų127.590%0.89681%0.811SS**  trans-79.7158-168.532.5-36.9000115
794V58.4Low50Low143 Ų143127.3 Ų127.387%0.86781%0.809SS**  trans-110.6145.2-177.2-179.90000111.1
795G51.5Low49.6Very low61 Ų61128 Ų12863%0.62981%0.813SS**PPolyproline II helixtrans-83.8172.4-17900000115.5
796P52.4Low49.9Very low137 Ų137126.4 Ų126.489%0.8981%0.813SS**PPolyproline II helixtrans-78.1158.6-17132-36.6000114.7
797S51.1Low50.2Low122 Ų122125.8 Ų125.885%0.85381%0.807SS**PPolyproline II helixtrans-83.1150.2-177.3-65.30000114.4
798G54.5Low49.7Very low78 Ų78126.6 Ų126.680%0.80481%0.813SS**PPolyproline II helixtrans-77.7166.5167.700000112.9
799K44.5Very low50.6Low212 Ų212122.3 Ų122.392%0.92281%0.807SS**PPolyproline II helixtrans-97152.7-176.9-68.8-176.9175.1-176.60113
800E42.3Very low50.5Low200 Ų200122.5 Ų122.594%0.93581%0.809SS**PPolyproline II helixtrans-75.6165.8-180-59.3173.813400113.2
801G46.7Very low50.5Low68 Ų68122.6 Ų122.670%0.70181%0.81SS**  trans-129.3139.217400000111.8
802N45.3Very low50.3Low165 Ų165122.3 Ų122.388%0.88281%0.808SS**PPolyproline II helixtrans-78.2134-169.8-63.4-38.4000113.3
803P54Low50.1Low129 Ų129123 Ų12384%0.83882%0.815SS**PPolyproline II helixtrans-67.7155.2168-21.134.4000113.9
804G50.8Low50.1Low65 Ų65124.1 Ų124.167%0.6782%0.819SS**PPolyproline II helixtrans-89.9170.6179.300000115.2
805P48.3Very low49.6Very low134 Ų134129 Ų12987%0.8782%0.822SS**PPolyproline II helixtrans-78.8154.4-172.532.2-36.5000114.6
806L50.5Low49.8Very low171 Ų171129.4 Ų129.490%0.89583%0.826SS**PPolyproline II helixtrans-84.1154.8176-77.880.9000112.9
807G49.1Very low49.4Very low61 Ų61128.8 Ų128.863%0.62983%0.825SS**PPolyproline II helixtrans-83166.8172.800000114.4
808P49.2Very low49.6Very low134 Ų134129.7 Ų129.787%0.8783%0.825SS**PPolyproline II helixtrans-81.2154.3-169.332.8-36.8000114.8
809I59.3Low49.8Very low170 Ų170129.1 Ų129.187%0.87282%0.819SS**  trans-112.5142.1177.2-69168.1000110
810G45.4Very low50.2Low57 Ų57128.7 Ų128.759%0.58882%0.82SS**  trans-83.3153.5178.200000114
811P54.6Low50.8Low134 Ų134124 Ų12487%0.8782%0.815SS**  trans-97.4137.2-164.335.7-34.6000115.5
812P46.1Very low51.8Low124 Ų124123.8 Ų123.881%0.80581%0.813SS**  trans-129.1130.9157.220.11000114.1
813G44.8Very low52.6Low81 Ų81122.3 Ų122.384%0.83581%0.813SS**  trans85.9100.7151.700000118.4
814V53.9Low53Low160 Ų160125.4 Ų125.497%0.9782%0.816SS**  trans-80.3130.1166.4-72.60000111.9
815R48Very low53.6Low246 Ų246124.9 Ų124.993%0.92881%0.811SS**  trans-126.1148.3164.8-178.5170.7-81.3-171.4-4.3108.1
816G54.4Low54.3Low69 Ų69124.5 Ų124.571%0.71181%0.808SS**PPolyproline II helixtrans-60.6158.3-160.300000116.7V818G816-V818 PolarHBondContact O-N 2.7Å
817S45.3Very low55.1Low125 Ų125122.5 Ų122.587%0.87481%0.806SS**PPolyproline II helixtrans-62.7125.3-177.152.60000113.5
818V55.6Low55.7Low141 Ų141123.1 Ų123.186%0.85581%0.812SS**PPolyproline II helixtrans-73.9144.4156.5-178.50000108.3G816G816-V818 PolarHBondContact O-N 2.7Å
819G57.4Low56.4Low66 Ų66125.6 Ų125.668%0.6881%0.812SS**PPolyproline II helixtrans-70.5159.4-18000000113.3A821G819-A821 PolarHBondContact O-N 2.79Å
820E53.3Low56.7Low203 Ų203123.7 Ų123.795%0.94981%0.811SS**PPolyproline II helixtrans-61.4131.1176.7-68.6174.9104.600111.4
821A55Low57.3Low100 Ų100124.1 Ų124.183%0.82682%0.815SS**PPolyproline II helixtrans-76.5137.9165.300000109.3G819G819-A821 PolarHBondContact O-N 2.79Å
822G67.6Low57.8Low64 Ų64123.5 Ų123.566%0.6681%0.811SS**PPolyproline II helixtrans-65.4159173.500000112.2
823P61.2Low58.7Low135 Ų135123.9 Ų123.988%0.87781%0.814SS**PPolyproline II helixtrans-60.9140.1179.326.2-34.6000111.6
824E62.8Low59.1Low193 Ų193123.1 Ų123.190%0.90281%0.806SS**PPolyproline II helixtrans-65.9140.5-179.2-166.2171-172.200111.6
825G63Low59.4Low55 Ų55121.1 Ų121.157%0.56780%0.797SS**PPolyproline II helixtrans-73.3155.6178.200000112.4
826P63.9Low59.9Low125 Ų125115.7 Ų115.781%0.81279%0.793SS**PPolyproline II helixtrans-62.1144.5176.627.1-34.5000111.2G828P826-G828 PolarHBondContact O-N 3.26Å
827P66Low59.7Low130 Ų130115.5 Ų115.584%0.84479%0.791SS**PPolyproline II helixtrans-57.1135.4178.9-26.134.9000112.9
828G63.2Low60.2Low74 Ų74115.4 Ų115.476%0.76379%0.787SS**PPolyproline II helixtrans-70.1153.2175.100000112.9P826P826-G828 PolarHBondContact O-N 3.26Å
829E62.5Low59.9Low186 Ų186114.9 Ų114.987%0.86979%0.787SS**PPolyproline II helixtrans-67.7150.6-179.9-64.1-167.9133.900112.6G831E829-G831 PolarHBondContact O-N 2.79Å
830P65.7Low59Low129 Ų129115 Ų11584%0.83879%0.788SS**PPolyproline II helixtrans-61.9129.1178.6-22.534000112.7
831G59.2Low58.1Low67 Ų67113.5 Ų113.569%0.69178%0.781SS**PPolyproline II helixtrans-62.5148.5176.100000113.1E829E829-G831 PolarHBondContact O-N 2.79Å
832P65.5Low57.1Low121 Ų121116.5 Ų116.579%0.78678%0.782SS**PPolyproline II helixtrans-66.5159.9-177.528-35.5000112.7G834P832-G834 PolarHBondContact O-N 3.01Å
833P64.4Low55.7Low131 Ų131119.4 Ų119.485%0.85179%0.787SS**PPolyproline II helixtrans-58.3132.8178.3-23.634.3000112.6
834G52.8Low54.5Low66 Ų66117.3 Ų117.368%0.6878%0.781SS**PPolyproline II helixtrans-64.7145.9175.700000112.3P832P832-G834 PolarHBondContact O-N 3.01Å
835P60.4Low53.1Low118 Ų118112.4 Ų112.477%0.76677%0.774SS**PPolyproline II helixtrans-67.2159.2-178.828.6-35.4000112.3
836P59.4Low51.7Low131 Ų131116.7 Ų116.785%0.85178%0.783SS**PPolyproline II helixtrans-56.9139.7174.6-23.634.4000112.3
837G49.1Very low50.8Low65 Ų65114.7 Ų114.767%0.6779%0.785SS**PPolyproline II helixtrans-64.8147.9176.800000112.4
838P56.6Low49.5Very low123 Ų123114.8 Ų114.880%0.79978%0.778SS**PPolyproline II helixtrans-65.5149.8-178.727.5-35000111.9
839P48.8Very low48.4Very low130 Ų130118.2 Ų118.284%0.84478%0.778SS**PPolyproline II helixtrans-56.9144174.9-25.235.1000113
840G38.7Very low47Very low68 Ų68118.2 Ų118.270%0.70178%0.78SS**PPolyproline II helixtrans-64.4139.5-179.200000113.1L842G840-L842 PolarHBondContact O-N 2.87Å; G840-L842 VanDerWaalsContact O-N 3.13Å
841H34.9Very low45.4Very low173 Ų173115.2 Ų115.280%0.80177%0.772SS**  trans-70.5105.3-176.7-156.7-69.4000111.2T843H841-T843 PolarHBondContact ND1-OG1 2.87Å
842L34.1Very low44.4Very low163 Ų163119.3 Ų119.385%0.85377%0.773SS**  trans-78.8125.2175-66.5177.3000110.3G840G840-L842 PolarHBondContact O-N 2.87Å; G840-L842 VanDerWaalsContact O-N 3.13Å
843T37.3Very low42.8Very low124 Ų124123.4 Ų123.476%0.76177%0.774SS**  trans-13455.4178.2-39.80000111H841H841-T843 PolarHBondContact ND1-OG1 2.87Å
844A37.3Very low41.2Very low92 Ų92124.4 Ų124.476%0.7677%0.772SS**SBendtrans-160.4138.7166.400000112.2
845A32.9Very low40.3Very low90 Ų90129.3 Ų129.374%0.74478%0.778SS**  trans68.2139.1168.400000118.9
846L32.7Very low38.8Very low144 Ų144129.5 Ų129.575%0.75478%0.782SS**  trans54.6115.2172.3-77.469.1000116.3D848L846-D848 HydrophobicContact CD2-CB 4.36Å; L846-D848 HydrophobicContact CG-CB 4.37Å
847G46.1Very low37.7Very low83 Ų83131.7 Ų131.786%0.85678%0.783SS**  cis78.314.7-1.800000115.4
848D38.5Very low37.5Very low133 Ų133134 Ų13471%0.71179%0.786SS**  trans-162159.3163.1-119.5-33.7000110.5L846L846-D848 HydrophobicContact CD2-CB 4.36Å; L846-D848 HydrophobicContact CG-CB 4.37Å
849I39.4Very low36.6Very low146 Ų146133.9 Ų133.975%0.74978%0.779SS**SBendtrans79.6124.9176-54.9171.8000117.2
850M32.8Very low36.2Very low186 Ų186133.9 Ų133.992%0.91678%0.779SS**  trans63.8110.3166.1-72.5178-169.700120
851G33.2Very low36.1Very low65 Ų65137.6 Ų137.667%0.6778%0.782SS**  trans-132.9141.313300000109.4
852H37.3Very low36.9Very low154 Ų154134.3 Ų134.371%0.71378%0.776SS**  trans171.7151.7157.7-91.78.1000110.7
853Y31.9Very low36.8Very low207 Ų207135.9 Ų135.981%0.81278%0.779SS**  trans45.1147.5158.139.5-128000123.2
854D31.8Very low37.2Very low151 Ų151138.1 Ų138.181%0.80778%0.778SS**  cis-165.1164.2-30.6-143.3-10.7000113.4
855E32.4Very low37.6Very low169 Ų169140.5 Ų140.579%0.7978%0.783SS**  trans9129.6159.4-152.1162.690.100124.3
856S30.5Very low37.9Very low123 Ų123144.8 Ų144.886%0.8679%0.788SS**  174.5155.6125.940.70000115.5
857M35.4Very low38.4Very low176 Ų176145.9 Ų145.987%0.86780%0.795SS**  trans-127.9-178.8-174.1-117.5-166.8-172.500110.5
858P44Very low38.3Very low115 Ų115148.9 Ų148.975%0.74779%0.786SS**  cis-137.2-174.36.740.8-20.2000117.4
859D37.7Very low38.5Very low119 Ų119147.4 Ų147.464%0.63679%0.793SS**  trans-72.5169.8179.2-68.1-59.9000117
860P40.7Very low38.9Very low131 Ų131144 Ų14485%0.85179%0.786SS**  -13514196.438-27.9000116.7
861L37Very low39.5Very low146 Ų146140.8 Ų140.876%0.76478%0.78SS**  trans-84.2179.2172.7-65.8170.8000112.1
862P51.3Low39.8Very low104 Ų104141.9 Ų141.968%0.67577%0.77SS**  cis-136.5157.21.839.2-22000117.2
863E33.5Very low40.7Very low196 Ų196142.2 Ų142.292%0.91678%0.777SS**  trans-152.2151.4138.2-133.5165.2-162.600110.9
864F43.8Very low41.7Very low171 Ų171141.6 Ų141.675%0.7578%0.779SS**  trans-96.1114.5-162.8-90.3-109.5000113.9
865T46.2Very low42.8Very low141 Ų141139.6 Ų139.687%0.86577%0.768SS**  trans-152.790.3156.528.60000112.3
866E40.6Very low44.1Very low181 Ų181141 Ų14185%0.84677%0.771SS**SBendtrans-166.3144.5144-113.1175.5173.500108.3Q868E866-Q868 PolarHBondContact O-N 3.31Å
867D42.7Very low45.5Very low167 Ų167138.9 Ų138.989%0.89375%0.754SS**  trans-77122.5178.4-165.85.1000109.4A869D867-A869 PolarHBondContact O-N 2.75Å
868Q43.5Very low47.2Very low145 Ų145135.3 Ų135.368%0.67874%0.738SS**  trans-82.278-158.4-69.4-178-28.100112.5E866 A870E866-Q868 PolarHBondContact O-N 3.31Å; Q868-A870 VanDerWaalsContact C-N 3.31Å
869A43Very low48.9Very low103 Ų103134.7 Ų134.785%0.85173%0.734SS**  trans-88.16.9164.900000113.5D867D867-A869 PolarHBondContact O-N 2.75Å
870A48Very low51.1Low73 Ų73130.8 Ų130.860%0.60372%0.722SS**SBendtrans-64143.6159.400000109.4Q868 D872Q868-A870 VanDerWaalsContact C-N 3.31Å; A870-D872 PolarHBondContact O-N 3.03Å
871P44.3Very low53.4Low120 Ų120128.2 Ų128.278%0.77970%0.704SS**  trans-69.5101.5179.828.3-33.7000110.5D873P871-D873 PolarHBondContact O-N 2.64Å
872D41.2Very low55.8Low87 Ų87125.2 Ų125.247%0.46569%0.686SS.*  trans-66.593.7169.4174.116.8000109.5A870 K874 N875A870-D872 PolarHBondContact O-N 3.03Å; D872-K874 PolarHBondContact O-N 3.46Å; D872-K874 PolarHBondContact OD1-N 2.02Å; D872-N875 HydrophobicContact CB-CB 4.24Å; D872-N875 CarbonylContact O-C 3.5Å; D872-N875 WeakPolarHBondContact O-CA 3.21Å; D872-N875 PolarHBondContact O-N 2.88Å; D872-N875 WeakPolarHBondContact OD2-CB 3.37Å; D872-N875 PolarHBondContact OD2-ND2 2.87Å
873D54.7Low57.6Low161 Ų161123 Ų12386%0.86168%0.676SS**THydrogen-bonded Turntrans-60.1-0.9-177.1-112-25000114.6P871P871-D873 PolarHBondContact O-N 2.64Å
874K54.3Low60.4Low195 Ų195118.1 Ų118.185%0.84866%0.66SS**THydrogen-bonded Turntrans-103.1-28.5170.6-68175.5-176.2168.30112.9D872 K876D872-K874 PolarHBondContact O-N 3.46Å; D872-K874 PolarHBondContact OD1-N 2.02Å; K874-K876 PolarHBondContact O-N 3.2Å
875N54.8Low62.7Low109 Ų109114.8 Ų114.858%0.58365%0.649SS**  trans-80.395164.2-98.6-53.6000110D872 T877D872-N875 HydrophobicContact CB-CB 4.24Å; D872-N875 CarbonylContact O-C 3.5Å; D872-N875 WeakPolarHBondContact O-CA 3.21Å; D872-N875 PolarHBondContact O-N 2.88Å; D872-N875 WeakPolarHBondContact OD2-CB 3.37Å; D872-N875 PolarHBondContact OD2-ND2 2.87Å; N875-T877 PolarHBondContact O-N 2.69Å
876K59.2Low64.9Low197 Ų197115.5 Ų115.586%0.85764%0.64SS**  trans-6377.9154.4-71.5-177.6178.5177.70109K874 D878K874-K876 PolarHBondContact O-N 3.2Å; K876-D878 PolarHBondContact O-N 3.38Å; K876-D878 VanDerWaalsContact O-N 3.13Å
877T60.1Low67.4Low80 Ų80109.6 Ų109.649%0.49162%0.619SS.*  trans-48.5120.2164180000106.5N875 H882N875-T877 PolarHBondContact O-N 2.69Å; T877-H882 VanDerWaalsContact CB-NE2 3.34Å; T877-H882 WeakPolarHBondContact CB-NE2 3.36Å; T877-H882 PolarHBondContact O-CD2 2.85Å; T877-H882 PolarHBondContact OG1-NE2 2.63Å
878D71.8Confident69.8Low100 Ų100105.8 Ų105.854%0.53560%0.598SS.*  trans-51.5127.7-162.9-171.3-35.8000110K876 G880 V881 H882K876-D878 PolarHBondContact O-N 3.38Å; K876-D878 VanDerWaalsContact O-N 3.13Å; D878-G880 PolarHBondContact O-N 2.72Å; D878-G880 PolarHBondContact OD1-N 3.39Å; D878-V881 HydrophobicContact CB-CB 4.25Å; D878-V881 HydrophobicContact CB-CG2 4Å; D878-V881 WeakPolarHBondContact O-CA 3.42Å; D878-V881 WeakPolarHBondContact O-CB 3.34Å; D878-V881 PolarHBondContact O-N 2.86Å; D878-H882 PolarHBondContact O-N 2.96Å
879P78.4Confident72.2Confident102 Ų102102.3 Ų102.366%0.66259%0.59SS**Hα-helixtrans-50.4-29.6174.7-29.436.5000113.2A883P879-A883 WeakPolarHBondContact O-CB 3.45Å; P879-A883 PolarHBondContact O-N 3.14Å
880G83.7Confident74.5Confident37 Ų37100.5 Ų100.538%0.38157%0.571SS.*Hα-helixtrans-63.6-45169.400000113.5D878 A883 T884D878-G880 PolarHBondContact O-N 2.72Å; D878-G880 PolarHBondContact OD1-N 3.39Å; G880-A883 PolarHBondContact O-N 2.98Å; G880-T884 WeakPolarHBondContact O-CB 3.42Å; G880-T884 PolarHBondContact O-N 3.27Å; G880-T884 PolarHBondContact O-OG1 3.38Å
881V89.4Confident76.5Confident78 Ų78101.9 Ų101.947%0.47357%0.565SS.*Hα-helixtrans-66.1-44176.11730000111.1D878 A883 T884 L885D878-V881 HydrophobicContact CB-CB 4.25Å; D878-V881 HydrophobicContact CB-CG2 4Å; D878-V881 WeakPolarHBondContact O-CA 3.42Å; D878-V881 WeakPolarHBondContact O-CB 3.34Å; D878-V881 PolarHBondContact O-N 2.86Å; V881-A883 VanDerWaalsContact C-N 3.34Å; V881-A883 PolarHBondContact O-N 2.85Å; V881-T884 PolarHBondContact O-N 3.36Å; V881-L885 HydrophobicContact CG1-CD1 4.08Å; V881-L885 HydrophobicContact CG1-CG 4.43Å; V881-L885 WeakPolarHBondContact O-CG 3.39Å; V881-L885 PolarHBondContact O-N 3.43Å
882H87.3Confident78.9Confident83 Ų8399.9 Ų99.938%0.38455%0.547SS..Hα-helixtrans-62.6-39.1173.9-88.8-62.2000112.5T877 D878 K886T877-H882 VanDerWaalsContact CB-NE2 3.34Å; T877-H882 WeakPolarHBondContact CB-NE2 3.36Å; T877-H882 PolarHBondContact O-CD2 2.85Å; T877-H882 PolarHBondContact OG1-NE2 2.63Å; D878-H882 PolarHBondContact O-N 2.96Å; H882-K886 WeakPolarHBondContact O-CB 3.24Å; H882-K886 WeakPolarHBondContact O-CG 3.27Å; H882-K886 PolarHBondContact O-N 2.64Å
883A88.8Confident81.1Confident58 Ų58102 Ų10248%0.47955%0.554SS.*Hα-helixtrans-65.5-41.2173.500000111.9P879 G880 V881 K886 S887P879-A883 WeakPolarHBondContact O-CB 3.45Å; P879-A883 PolarHBondContact O-N 3.14Å; G880-A883 PolarHBondContact O-N 2.98Å; V881-A883 VanDerWaalsContact C-N 3.34Å; V881-A883 PolarHBondContact O-N 2.85Å; A883-K886 PolarHBondContact O-N 2.95Å; A883-S887 VanDerWaalsContact O-CB 3.26Å; A883-S887 WeakPolarHBondContact O-CB 3.32Å; A883-S887 PolarHBondContact O-N 3.16Å
884T92.4Very high82.8Confident93 Ų9395.8 Ų95.857%0.57152%0.522SS*.Hα-helixtrans-64.4-44.5175.6-59.30000111.8G880 V881 S887 L888G880-T884 WeakPolarHBondContact O-CB 3.42Å; G880-T884 PolarHBondContact O-N 3.27Å; G880-T884 PolarHBondContact O-OG1 3.38Å; V881-T884 PolarHBondContact O-N 3.36Å; T884-S887 PolarHBondContact O-N 3.05Å; T884-L888 WeakPolarHBondContact O-CB 3.22Å; T884-L888 PolarHBondContact O-N 3.06Å
885L92.1Very high84.3Confident101 Ų10193.2 Ų93.253%0.52952%0.515SS..Hα-helixtrans-63.2-43.5176.7-73172000111.8V881 L888 S889V881-L885 HydrophobicContact CG1-CD1 4.08Å; V881-L885 HydrophobicContact CG1-CG 4.43Å; V881-L885 WeakPolarHBondContact O-CG 3.39Å; V881-L885 PolarHBondContact O-N 3.43Å; L885-L888 PolarHBondContact O-N 3.34Å; L885-S889 VanDerWaalsContact O-CB 3.3Å; L885-S889 WeakPolarHBondContact O-CB 3.24Å; L885-S889 PolarHBondContact O-N 3.23Å
886K92.5Very high86.1Confident155 Ų15598 Ų9867%0.67453%0.525SS*.Hα-helixtrans-64.5-40.3174.2-73.1178.2-179.9-178.20112.1H882 A883 S890H882-K886 WeakPolarHBondContact O-CB 3.24Å; H882-K886 WeakPolarHBondContact O-CG 3.27Å; H882-K886 PolarHBondContact O-N 2.64Å; A883-K886 PolarHBondContact O-N 2.95Å; K886-S890 VanDerWaalsContact O-CB 3.28Å; K886-S890 WeakPolarHBondContact O-CB 3.35Å; K886-S890 PolarHBondContact O-N 3.45Å
887S93.6Very high87.6Confident58 Ų5890.2 Ų90.241%0.40650%0.495SS..Hα-helixtrans-63.7-42.2175-174.30000112.2A883 T884 Q891A883-S887 VanDerWaalsContact O-CB 3.26Å; A883-S887 WeakPolarHBondContact O-CB 3.32Å; A883-S887 PolarHBondContact O-N 3.16Å; T884-S887 PolarHBondContact O-N 3.05Å; S887-Q891 WeakPolarHBondContact O-CB 3.37Å; S887-Q891 VanDerWaalsContact O-CG 3.24Å; S887-Q891 WeakPolarHBondContact O-CG 2.95Å; S887-Q891 PolarHBondContact O-N 2.91Å
888L93.3Very high89.3Confident86 Ų8687.9 Ų87.945%0.4548%0.481SS..Hα-helixtrans-70.3-42.4178.8-177.962.2000111.4T884 L885 S890 Q891 I892T884-L888 WeakPolarHBondContact O-CB 3.22Å; T884-L888 PolarHBondContact O-N 3.06Å; L885-L888 PolarHBondContact O-N 3.34Å; L888-S890 VanDerWaalsContact C-N 3.33Å; L888-S890 PolarHBondContact O-N 3.3Å; L888-Q891 PolarHBondContact O-N 3.42Å; L888-I892 HydrophobicContact CD1-CD1 4.18Å; L888-I892 HydrophobicContact CD1-CG1 4.44Å; L888-I892 HydrophobicContact CG-CD1 3.98Å; L888-I892 VanDerWaalsContact O-CG1 3.3Å; L888-I892 WeakPolarHBondContact O-CG1 3.38Å; L888-I892 PolarHBondContact O-N 3.08Å
889S93.9Very high90.3Very high73 Ų7385.7 Ų85.751%0.5147%0.47SS..Hα-helixtrans-57.6-47.2173-170.50000111L885 I892 E893L885-S889 VanDerWaalsContact O-CB 3.3Å; L885-S889 WeakPolarHBondContact O-CB 3.24Å; L885-S889 PolarHBondContact O-N 3.23Å; S889-I892 PolarHBondContact O-N 2.95Å; S889-E893 WeakPolarHBondContact O-CB 3.49Å; S889-E893 PolarHBondContact O-N 3.33Å
890S91Very high91Very high65 Ų6581 Ų8146%0.45544%0.44SS..Hα-helixtrans-63.5-40.3176.9178.90000112.5K886 L888 E893 T894K886-S890 VanDerWaalsContact O-CB 3.28Å; K886-S890 WeakPolarHBondContact O-CB 3.35Å; K886-S890 PolarHBondContact O-N 3.45Å; L888-S890 VanDerWaalsContact C-N 3.33Å; L888-S890 PolarHBondContact O-N 3.3Å; S890-E893 PolarHBondContact O-N 3.31Å; S890-T894 PolarHBondContact O-N 3.37Å; S890-T894 PolarHBondContact O-OG1 2.83Å
891Q90.6Very high91.5Very high102 Ų10281 Ų8148%0.47743%0.433SS..Hα-helixtrans-63.6-44.1175.1-76.6167.77.400112.1S887 L888 E893 T894 M895S887-Q891 WeakPolarHBondContact O-CB 3.37Å; S887-Q891 VanDerWaalsContact O-CG 3.24Å; S887-Q891 WeakPolarHBondContact O-CG 2.95Å; S887-Q891 PolarHBondContact O-N 2.91Å; L888-Q891 PolarHBondContact O-N 3.42Å; Q891-E893 VanDerWaalsContact C-N 3.31Å; Q891-E893 PolarHBondContact O-N 3.17Å; Q891-T894 WeakPolarHBondContact CA-OG1 3.27Å; Q891-T894 PolarHBondContact O-N 2.82Å; Q891-T894 PolarHBondContact O-OG1 2.81Å; Q891-M895 WeakPolarHBondContact O-CG 3.43Å; Q891-M895 PolarHBondContact O-N 3.38Å
892I93Very high91.7Very high78 Ų7881.4 Ų81.440%0.443%0.429SS..Hα-helixtrans-62.9-39.8175.2-68.2166.1000110.6L888 S889 M895 R896L888-I892 HydrophobicContact CD1-CD1 4.18Å; L888-I892 HydrophobicContact CD1-CG1 4.44Å; L888-I892 HydrophobicContact CG-CD1 3.98Å; L888-I892 VanDerWaalsContact O-CG1 3.3Å; L888-I892 WeakPolarHBondContact O-CG1 3.38Å; L888-I892 PolarHBondContact O-N 3.08Å; S889-I892 PolarHBondContact O-N 2.95Å; I892-M895 HydrophobicContact CG1-CE 4.14Å; I892-M895 PolarHBondContact O-N 2.8Å; I892-R896 VanDerWaalsContact O-CG 3.31Å; I892-R896 WeakPolarHBondContact O-CG 3Å; I892-R896 PolarHBondContact O-N 3.27Å
893E89.4Confident92Very high130 Ų13085.2 Ų85.261%0.60745%0.445SS*.Hα-helixtrans-65.4-44.4176.3-169.4162.6-143.100112S889 S890 Q891 M895 R896 S897S889-E893 WeakPolarHBondContact O-CB 3.49Å; S889-E893 PolarHBondContact O-N 3.33Å; S890-E893 PolarHBondContact O-N 3.31Å; Q891-E893 VanDerWaalsContact C-N 3.31Å; Q891-E893 PolarHBondContact O-N 3.17Å; E893-M895 VanDerWaalsContact C-N 3.29Å; E893-M895 PolarHBondContact O-N 3.17Å; E893-R896 PolarHBondContact O-N 2.87Å; E893-R896 VanDerWaalsContact O-N 3.13Å; E893-S897 PolarHBondContact O-N 3.36Å
894T88.7Confident92.2Very high32 Ų3286 Ų8620%0.19644%0.438CS..Hα-helixtrans-67-24.9174.253.50000114S890 Q891 P898S890-T894 PolarHBondContact O-N 3.37Å; S890-T894 PolarHBondContact O-OG1 2.83Å; Q891-T894 WeakPolarHBondContact CA-OG1 3.27Å; Q891-T894 PolarHBondContact O-N 2.82Å; Q891-T894 PolarHBondContact O-OG1 2.81Å; T894-P898 VanDerWaalsContact O-CA 3.26Å; T894-P898 WeakPolarHBondContact O-CA 3.24Å
895M87.3Confident92.4Very high141 Ų14182.1 Ų82.170%0.69541%0.414SS*.Hα-helixtrans-78.1-28.7171.5-73.3-173.7-64.800112.7Q891 I892 E893Q891-M895 WeakPolarHBondContact O-CG 3.43Å; Q891-M895 PolarHBondContact O-N 3.38Å; I892-M895 HydrophobicContact CG1-CE 4.14Å; I892-M895 PolarHBondContact O-N 2.8Å; E893-M895 VanDerWaalsContact C-N 3.29Å; E893-M895 PolarHBondContact O-N 3.17Å
896R90.8Very high92.6Very high209 Ų20977.4 Ų77.479%0.78939%0.39SS*.Hα-helixtrans-86.4-30.4177.6-70.8178.373-158.82.7113.3I892 E893I892-R896 VanDerWaalsContact O-CG 3.31Å; I892-R896 WeakPolarHBondContact O-CG 3Å; I892-R896 PolarHBondContact O-N 3.27Å; E893-R896 PolarHBondContact O-N 2.87Å; E893-R896 VanDerWaalsContact O-N 3.13Å
897S92.5Very high92.7Very high33 Ų3375 Ų7523%0.23138%0.377CS..SBendtrans-139.168.3-177-1670000109.9E893 H916E893-S897 PolarHBondContact O-N 3.36Å; S897-H916 PolarHBondContact O-NE2 2.85Å; S897-H916 PolarHBondContact OG-NE2 3.19Å
898P94.2Very high92.8Very high31 Ų3172.6 Ų72.620%0.20136%0.36CS..  trans-54.6140.8-179.621.1-33.2000112T894 H904 P905 A906 H916T894-P898 VanDerWaalsContact O-CA 3.26Å; T894-P898 WeakPolarHBondContact O-CA 3.24Å; P898-H904 HydrophobicContact CB-CB 4.29Å; P898-H904 WeakPolarHBondContact CB-O 3.32Å; P898-P905 VanDerWaalsContact CB-O 3.29Å; P898-P905 WeakPolarHBondContact CB-O 3.26Å; P898-A906 HydrophobicContact CG-CB 4.41Å; P898-H916 PolarHBondContact O-NE2 2.88Å; P898-H916 VanDerWaalsContact O-NE2 3.12Å
899D93Very high93Very high55 Ų5568.5 Ų68.529%0.29434%0.339SS..  trans-90.1-2.3-169.480.6-41.9000113.9S901 H904 K919D899-S901 VanDerWaalsContact C-N 3.32Å; D899-S901 WeakPolarHBondContact OD1-CB 3.37Å; D899-S901 PolarHBondContact OD1-N 2.95Å; D899-S901 PolarHBondContact OD1-OG 2.79Å; D899-H904 PolarHBondContact N-O 2.97Å; D899-K919 WeakPolarHBondContact O-CE 3.48Å; D899-K919 PolarHBondContact O-NZ 2.85Å
900G94.2Very high93Very high3 Ų367.7 Ų67.73%0.03133%0.328CS..SBendtrans78.115.1-174.800000113.6H904 W925G900-H904 PolarHBondContact N-O 3.12Å; G900-W925 PolarHBondContact O-N 2.67Å
901S94.5Very high93.2Very high36 Ų3667.3 Ų67.325%0.25232%0.321SS..SBendtrans-78161.7168.669.40000111.2D899 K903 H904 P905D899-S901 VanDerWaalsContact C-N 3.32Å; D899-S901 WeakPolarHBondContact OD1-CB 3.37Å; D899-S901 PolarHBondContact OD1-N 2.95Å; D899-S901 PolarHBondContact OD1-OG 2.79Å; S901-K903 PolarHBondContact O-N 2.85Å; S901-H904 CarbonylContact O-C 3.55Å; S901-H904 PolarHBondContact O-N 2.81Å; S901-H904 VanDerWaalsContact O-N 3.13Å; S901-H904 PolarHBondContact OG-N 3.28Å; S901-P905 WeakPolarHBondContact O-CA 3.23Å
902K92.9Very high93.4Very high87 Ų8762.5 Ų62.538%0.37830%0.299SS..SBendtrans-59.9-20175.7-172.4163.3-172.8161.40113.7W925K902-W925 HydrophobicContact CB-CB 4.46Å; K902-W925 HydrophobicContact CB-CD2 3.74Å; K902-W925 HydrophobicContact CB-CE3 4.32Å; K902-W925 HydrophobicContact CB-CG 3.75Å; K902-W925 HydrophobicContact CD-CD2 3.96Å; K902-W925 HydrophobicContact CD-CE3 3.86Å; K902-W925 HydrophobicContact CD-CH2 3.71Å; K902-W925 HydrophobicContact CD-CZ2 3.77Å; K902-W925 HydrophobicContact CD-CZ3 3.74Å; K902-W925 HydrophobicContact CG-CD2 3.81Å; K902-W925 HydrophobicContact CG-CE3 3.88Å; K902-W925 HydrophobicContact CG-CG 4.29Å; K902-W925 HydrophobicContact CG-CZ2 4.5Å; K902-W925 HydrophobicContact CG-CZ3 4.27Å
903K92.4Very high93.5Very high164 Ų16461.3 Ų61.371%0.71329%0.291SS*.SBendtrans-87-33.8177.1-66.3-174.9178.6-1780112.8S901 P905S901-K903 PolarHBondContact O-N 2.85Å; K903-P905 VanDerWaalsContact C-CD 3.44Å
904H94.5Very high93.7Very high73 Ų7361.2 Ų61.234%0.33829%0.294SS..SBendtrans-130.667.3-178.9-51.4-46.2000108.7P898 D899 G900 S901P898-H904 HydrophobicContact CB-CB 4.29Å; P898-H904 WeakPolarHBondContact CB-O 3.32Å; D899-H904 PolarHBondContact N-O 2.97Å; G900-H904 PolarHBondContact N-O 3.12Å; S901-H904 CarbonylContact O-C 3.55Å; S901-H904 PolarHBondContact O-N 2.81Å; S901-H904 VanDerWaalsContact O-N 3.13Å; S901-H904 PolarHBondContact OG-N 3.28Å
905P95.6Very high93.9Very high12 Ų1263 Ų638%0.07831%0.307CS..  trans-65.1143.4-179.628.3-35.5000110.2P898 S901 K903 W925 D927 V933 A936P898-P905 VanDerWaalsContact CB-O 3.29Å; P898-P905 WeakPolarHBondContact CB-O 3.26Å; S901-P905 WeakPolarHBondContact O-CA 3.23Å; K903-P905 VanDerWaalsContact C-CD 3.44Å; P905-W925 WeakPolarHBondContact CA-O 3.09Å; P905-W925 HydrophobicContact CB-CB 4.23Å; P905-W925 WeakPolarHBondContact CB-O 3.1Å; P905-D927 HydrophobicContact CB-CB 3.9Å; P905-D927 HydrophobicContact CG-CB 3.65Å; P905-V933 HydrophobicContact CG-CB 3.94Å; P905-V933 HydrophobicContact CG-CG1 3.71Å; P905-A936 HydrophobicContact CB-CB 3.94Å; P905-A936 HydrophobicContact CG-CB 3.89Å
906A95.9Very high94.1Very high2 Ų258.7 Ų58.72%0.01729%0.285CS..BIsolated β-bridgetrans-82161.6173.700000110.4P898 L912 W925 I926 D927P898-A906 HydrophobicContact CG-CB 4.41Å; A906-L912 HydrophobicContact CB-CB 3.67Å; A906-L912 HydrophobicContact CB-CD1 3.99Å; A906-L912 HydrophobicContact CB-CD2 4.24Å; A906-L912 HydrophobicContact CB-CG 4.16Å; A906-W925 PolarHBondContact N-O 2.84Å; A906-I926 HydrophobicContact CB-CG2 4.45Å; A906-I926 CarbonylContact O-C 3.53Å; A906-I926 WeakPolarHBondContact O-CA 3.23Å; A906-I926 WeakPolarHBondContact O-CB 3.49Å; A906-D927 PolarHBondContact O-N 2.97Å
907R95.4Very high94.1Very high104 Ų10454.2 Ų54.239%0.39229%0.286SS..SBendtrans-69.2-45-179.9-173-166.3-162.5174.58.1112.5D911 P928 L1006R907-D911 HydrophobicContact CB-CB 4.41Å; R907-D911 WeakPolarHBondContact CB-OD2 3.27Å; R907-P928 WeakPolarHBondContact O-CA 3.38Å; R907-L1006 HydrophobicContact CG-CD1 4.05Å
908T96.3Very high94.1Very high9 Ų957.3 Ų57.36%0.05531%0.313CS..  trans-142.9172173.269.60000110.2D910 D911 L912 L1003 L1006T908-D910 VanDerWaalsContact C-N 3.31Å; T908-D910 PolarHBondContact OG1-N 2.8Å; T908-D911 WeakPolarHBondContact CB-OD2 3.41Å; T908-D911 WeakPolarHBondContact CG2-OD2 2.99Å; T908-D911 PolarHBondContact N-OD2 3.12Å; T908-D911 VanDerWaalsContact N-OD2 3.17Å; T908-D911 PolarHBondContact OG1-N 2.83Å; T908-D911 PolarHBondContact OG1-OD2 2.69Å; T908-L912 WeakPolarHBondContact O-CB 3.1Å; T908-L912 PolarHBondContact O-N 2.99Å; T908-L1003 HydrophobicContact CG2-CD2 3.86Å; T908-L1006 HydrophobicContact CG2-CB 4.16Å; T908-L1006 HydrophobicContact CG2-CD1 3.59Å; T908-L1006 HydrophobicContact CG2-CG 4.48Å
909C96.6Very high94.1Very high0 Ų058.2 Ų58.20%031%0.314CS..Hα-helixtrans-67.7-28.6172.3-64.10000113.3K913 C941 T948C909-K913 VanDerWaalsContact O-CB 3.26Å; C909-K913 WeakPolarHBondContact O-CB 3.3Å; C909-K913 PolarHBondContact O-N 3.27Å; C909-C941 VanDerWaalsContact CA-SG 3.58Å; C909-C941 HydrophobicContact CB-CB 3.47Å; C909-C941 VanDerWaalsContact CB-CB 3.47Å; C909-C941 WeakPolarHBondContact CB-SG 3.4Å; C909-C941 WeakPolarHBondContact SG-CA 3.23Å; C909-C941 WeakPolarHBondContact SG-CB 3.35Å; C909-C941 CovalentContact SG-SG 2.03Å; C909-C941 PolarHBondContact SG-SG 3.02Å; C909-T948 VanDerWaalsContact CB-OG1 3.27Å; C909-T948 WeakPolarHBondContact CB-OG1 3.24Å; C909-T948 PolarHBondContact N-OG1 2.95Å; C909-T948 VanDerWaalsContact N-OG1 3.13Å; C909-T948 PolarHBondContact SG-OG1 2.79Å
910D95.1Very high94.2Very high56 Ų5663.1 Ų63.130%0.29934%0.335SS..Hα-helixtrans-75.1-41.3175.4-161.253.4000111.1T908 L912 K913 L914 G946T908-D910 VanDerWaalsContact C-N 3.31Å; T908-D910 PolarHBondContact OG1-N 2.8Å; D910-L912 VanDerWaalsContact C-N 3.28Å; D910-L912 PolarHBondContact O-N 3.1Å; D910-K913 PolarHBondContact O-N 3.29Å; D910-L914 WeakPolarHBondContact O-CB 3.3Å; D910-L914 WeakPolarHBondContact O-CG 3.44Å; D910-L914 PolarHBondContact O-N 2.93Å; D910-G946 PolarHBondContact N-O 2.92Å
911D94.4Very high94.3Very high57 Ų5764.9 Ų64.931%0.30535%0.347SS..Hα-helixtrans-56.1-44170.1-66.4-74.3000111.1R907 T908 L914 C915R907-D911 HydrophobicContact CB-CB 4.41Å; R907-D911 WeakPolarHBondContact CB-OD2 3.27Å; T908-D911 WeakPolarHBondContact CB-OD2 3.41Å; T908-D911 WeakPolarHBondContact CG2-OD2 2.99Å; T908-D911 PolarHBondContact N-OD2 3.12Å; T908-D911 VanDerWaalsContact N-OD2 3.17Å; T908-D911 PolarHBondContact OG1-N 2.83Å; T908-D911 PolarHBondContact OG1-OD2 2.69Å; D911-L914 PolarHBondContact O-N 3.13Å; D911-C915 WeakPolarHBondContact O-CB 3.42Å; D911-C915 PolarHBondContact O-N 3.46Å; D911-C915 PolarHBondContact O-SG 3.49Å
912L95.3Very high94.4Very high1 Ų164 Ų641%0.00534%0.344CS..Hα-helixtrans-64.9-43178.6-175.954.1000112.2A906 T908 D910 C915 H916 K919 Y924 M943A906-L912 HydrophobicContact CB-CB 3.67Å; A906-L912 HydrophobicContact CB-CD1 3.99Å; A906-L912 HydrophobicContact CB-CD2 4.24Å; A906-L912 HydrophobicContact CB-CG 4.16Å; T908-L912 WeakPolarHBondContact O-CB 3.1Å; T908-L912 PolarHBondContact O-N 2.99Å; D910-L912 VanDerWaalsContact C-N 3.28Å; D910-L912 PolarHBondContact O-N 3.1Å; L912-C915 PolarHBondContact O-N 2.78Å; L912-H916 WeakPolarHBondContact O-CA 3.15Å; L912-H916 WeakPolarHBondContact O-CB 3.25Å; L912-H916 PolarHBondContact O-N 3.4Å; L912-K919 HydrophobicContact CD1-CD 3.71Å; L912-K919 HydrophobicContact CD2-CD 4.43Å; L912-K919 HydrophobicContact CG-CD 4.03Å; L912-Y924 HydrophobicContact CD2-CD1 3.7Å; L912-Y924 HydrophobicContact CD2-CD2 4.27Å; L912-Y924 HydrophobicContact CD2-CE1 4.26Å; L912-Y924 HydrophobicContact CD2-CG 3.71Å; L912-M943 HydrophobicContact CD2-CE 3.71Å; L912-M943 HydrophobicContact CG-CE 3.9Å
913K95.2Very high94.5Very high52 Ų5266 Ų6623%0.22635%0.354CS..Hα-helixtrans-62.6-43.8175.1172.5-170.3176.9179.40112.2C909 D910 H916 S917 M943 E944 T945C909-K913 VanDerWaalsContact O-CB 3.26Å; C909-K913 WeakPolarHBondContact O-CB 3.3Å; C909-K913 PolarHBondContact O-N 3.27Å; D910-K913 PolarHBondContact O-N 3.29Å; K913-H916 CarbonylContact O-C 3.5Å; K913-S917 WeakPolarHBondContact O-CA 3.39Å; K913-S917 PolarHBondContact O-N 3.07Å; K913-M943 HydrophobicContact CB-SD 3.94Å; K913-M943 VanDerWaalsContact CD-O 3.22Å; K913-M943 WeakPolarHBondContact CD-O 3.34Å; K913-M943 WeakPolarHBondContact CE-O 3.46Å; K913-E944 PolarHBondContact NZ-O 3.33Å; K913-T945 PolarHBondContact NZ-O 3.38Å
914L92.4Very high94.7Very high128 Ų12860.1 Ų60.167%0.6733%0.328SS*.Hα-helixtrans-65.9-39.3178.3-71.9168.1000111.8D910 D911D910-L914 WeakPolarHBondContact O-CB 3.3Å; D910-L914 WeakPolarHBondContact O-CG 3.44Å; D910-L914 PolarHBondContact O-N 2.93Å; D911-L914 PolarHBondContact O-N 3.13Å
915C92.6Very high94.8Very high70 Ų7058.9 Ų58.947%0.47332%0.32SS..Hα-helixtrans-78.7-30.4178.1-66.30000113.5D911 L912D911-C915 WeakPolarHBondContact O-CB 3.42Å; D911-C915 PolarHBondContact O-N 3.46Å; D911-C915 PolarHBondContact O-SG 3.49Å; L912-C915 PolarHBondContact O-N 2.78Å
916H92.8Very high94.8Very high50 Ų5058.3 Ų58.323%0.23132%0.317CS..  trans-13765.3-171.9-63.5-102.6000112S897 P898 L912 K913 A918 K919S897-H916 PolarHBondContact O-NE2 2.85Å; S897-H916 PolarHBondContact OG-NE2 3.19Å; P898-H916 PolarHBondContact O-NE2 2.88Å; P898-H916 VanDerWaalsContact O-NE2 3.12Å; L912-H916 WeakPolarHBondContact O-CA 3.15Å; L912-H916 WeakPolarHBondContact O-CB 3.25Å; L912-H916 PolarHBondContact O-N 3.4Å; K913-H916 CarbonylContact O-C 3.5Å; H916-A918 PolarHBondContact O-N 2.85Å; H916-K919 HydrophobicContact CB-CB 4.49Å; H916-K919 HydrophobicContact CB-CD 3.52Å; H916-K919 HydrophobicContact CB-CG 3.82Å; H916-K919 VanDerWaalsContact ND1-CE 3.32Å; H916-K919 WeakPolarHBondContact ND1-CE 3.23Å; H916-K919 WeakPolarHBondContact O-CB 3.1Å; H916-K919 PolarHBondContact O-N 3.05Å
917S90.4Very high94.7Very high116 Ų11658.8 Ų58.881%0.81132%0.319SS*.THydrogen-bonded Turntrans-58.8-11.4-177.559.20000116K913K913-S917 WeakPolarHBondContact O-CA 3.39Å; K913-S917 PolarHBondContact O-N 3.07Å
918A92.6Very high94.8Very high98 Ų9853.9 Ų53.981%0.8130%0.301SS*.THydrogen-bonded Turntrans-88.5-5173.600000114.4H916H916-A918 PolarHBondContact O-N 2.85Å
919K93Very high94.6Very high50 Ų5055.1 Ų55.122%0.21731%0.307CS..PPolyproline II helixtrans-74.4145.4174.4-74.3176.7-167-85.30110.7D899 L912 H916 Y924 M943D899-K919 WeakPolarHBondContact O-CE 3.48Å; D899-K919 PolarHBondContact O-NZ 2.85Å; L912-K919 HydrophobicContact CD1-CD 3.71Å; L912-K919 HydrophobicContact CD2-CD 4.43Å; L912-K919 HydrophobicContact CG-CD 4.03Å; H916-K919 HydrophobicContact CB-CB 4.49Å; H916-K919 HydrophobicContact CB-CD 3.52Å; H916-K919 HydrophobicContact CB-CG 3.82Å; H916-K919 VanDerWaalsContact ND1-CE 3.32Å; H916-K919 WeakPolarHBondContact ND1-CE 3.23Å; H916-K919 WeakPolarHBondContact O-CB 3.1Å; H916-K919 PolarHBondContact O-N 3.05Å; K919-Y924 HydrophobicContact CD-CE1 4.07Å; K919-M943 HydrophobicContact CB-CE 3.87Å; K919-M943 HydrophobicContact CB-SD 4.32Å; K919-M943 HydrophobicContact CD-CE 4.43Å; K919-M943 WeakPolarHBondContact O-CG 3.26Å
920Q95.6Very high94.4Very high158 Ų15860.2 Ų60.274%0.73833%0.331SS*.PPolyproline II helixtrans-96.9157.8179.4-65-179.7-700110.7G922 Y924 M943Q920-G922 PolarHBondContact O-N 2.87Å; Q920-Y924 WeakPolarHBondContact O-CE2 3.24Å; Q920-Y924 PolarHBondContact O-OH 2.66Å; Q920-M943 VanDerWaalsContact C-CG 3.4Å; Q920-M943 WeakPolarHBondContact O-CG 3.42Å
921S97Very high94.2Very high39 Ų3961.3 Ų61.327%0.27336%0.355SS..SBendtrans-59135.8173.1-57.40000110.9Y940 C941 N942 M943S921-Y940 WeakPolarHBondContact CB-OH 3.46Å; S921-C941 CarbonylContact C-O 3.11Å; S921-C941 VanDerWaalsContact CA-O 3.24Å; S921-C941 WeakPolarHBondContact CA-O 3.09Å; S921-N942 PolarHBondContact OG-OD1 2.65Å; S921-M943 PolarHBondContact OG-N 2.84Å
922G96.1Very high94Very high18 Ų1861.6 Ų61.619%0.18636%0.361CS..EExtended strand (participates in β ladder)trans169.1-171.2-169.400000113.7Q920 Y924 Y940 C941Q920-G922 PolarHBondContact O-N 2.87Å; G922-Y924 WeakPolarHBondContact O-CD2 3.39Å; G922-Y940 CarbonylContact O-C 3.52Å; G922-Y940 WeakPolarHBondContact O-CA 3.45Å; G922-C941 PolarHBondContact N-O 3.18Å; G922-C941 PolarHBondContact O-N 3.48Å
923E96.3Very high93.8Very high128 Ų12864.6 Ų64.660%0.59838%0.379SS*.EExtended strand (participates in β ladder)trans-85.5128.4178.9-59.9-169.9113.400112.2K938 V939E923-K938 VanDerWaalsContact CD-CE 3.43Å; E923-K938 VanDerWaalsContact OE1-CE 3.3Å; E923-K938 WeakPolarHBondContact OE1-CE 3.41Å; E923-K938 IonicContact OE1-NZ 2.65Å; E923-K938 PolarHBondContact OE1-NZ 3.42Å; E923-K938 WeakPolarHBondContact OE2-CE 3.26Å; E923-K938 IonicContact OE2-NZ 2.67Å; E923-K938 PolarHBondContact OE2-NZ 2.97Å; E923-V939 WeakPolarHBondContact CA-O 3.26Å
924Y96.1Very high93.5Very high41 Ų4170 Ų7016%0.16141%0.406CS..EExtended strand (participates in β ladder)trans-136.4167.7178-65.8-85.6000110.8L912 K919 Q920 G922 K938 V939 C941 M943L912-Y924 HydrophobicContact CD2-CD1 3.7Å; L912-Y924 HydrophobicContact CD2-CD2 4.27Å; L912-Y924 HydrophobicContact CD2-CE1 4.26Å; L912-Y924 HydrophobicContact CD2-CG 3.71Å; K919-Y924 HydrophobicContact CD-CE1 4.07Å; Q920-Y924 WeakPolarHBondContact O-CE2 3.24Å; Q920-Y924 PolarHBondContact O-OH 2.66Å; G922-Y924 WeakPolarHBondContact O-CD2 3.39Å; Y924-K938 WeakPolarHBondContact O-CA 3.49Å; Y924-V939 PolarHBondContact N-O 3.4Å; Y924-V939 PolarHBondContact O-N 3.05Å; Y924-C941 HydrophobicContact CD2-CB 3.72Å; Y924-C941 HydrophobicContact CE2-CB 4.3Å; Y924-M943 HydrophobicContact CD2-CE 3.79Å; Y924-M943 HydrophobicContact CE1-CE 4.36Å; Y924-M943 HydrophobicContact CE2-CE 3.33Å; Y924-M943 HydrophobicContact CG-CE 4.45Å
925W95.6Very high93.5Very high48 Ų4865.9 Ų65.918%0.18238%0.384CS..EExtended strand (participates in β ladder)trans-104.2134.2170.1-67.875.1000109.6G900 K902 P905 A906 A936 I937 K938G900-W925 PolarHBondContact O-N 2.67Å; K902-W925 HydrophobicContact CB-CB 4.46Å; K902-W925 HydrophobicContact CB-CD2 3.74Å; K902-W925 HydrophobicContact CB-CE3 4.32Å; K902-W925 HydrophobicContact CB-CG 3.75Å; K902-W925 HydrophobicContact CD-CD2 3.96Å; K902-W925 HydrophobicContact CD-CE3 3.86Å; K902-W925 HydrophobicContact CD-CH2 3.71Å; K902-W925 HydrophobicContact CD-CZ2 3.77Å; K902-W925 HydrophobicContact CD-CZ3 3.74Å; K902-W925 HydrophobicContact CG-CD2 3.81Å; K902-W925 HydrophobicContact CG-CE3 3.88Å; K902-W925 HydrophobicContact CG-CG 4.29Å; K902-W925 HydrophobicContact CG-CZ2 4.5Å; K902-W925 HydrophobicContact CG-CZ3 4.27Å; P905-W925 WeakPolarHBondContact CA-O 3.09Å; P905-W925 HydrophobicContact CB-CB 4.23Å; P905-W925 WeakPolarHBondContact CB-O 3.1Å; A906-W925 PolarHBondContact N-O 2.84Å; W925-A936 VanDerWaalsContact CZ3-O 3.3Å; W925-A936 WeakPolarHBondContact CZ3-O 3.15Å; W925-I937 WeakPolarHBondContact CA-O 3.46Å; W925-K938 HydrophobicContact CD2-CB 4.1Å; W925-K938 HydrophobicContact CD2-CG 4.43Å; W925-K938 HydrophobicContact CE3-CB 4.24Å; W925-K938 HydrophobicContact CH2-CB 3.91Å; W925-K938 HydrophobicContact CZ2-CB 3.78Å; W925-K938 HydrophobicContact CZ2-CD 4.18Å; W925-K938 HydrophobicContact CZ2-CG 4.03Å; W925-K938 HydrophobicContact CZ3-CB 4.15Å
926I95.5Very high93.5Very high0 Ų062.9 Ų62.90%036%0.364CS..EExtended strand (participates in β ladder)trans-129.8152.9176.464.8166.1000112.5A906 P928 A936 I937 V939 T948 L1003A906-I926 HydrophobicContact CB-CG2 4.45Å; A906-I926 CarbonylContact O-C 3.53Å; A906-I926 WeakPolarHBondContact O-CA 3.23Å; A906-I926 WeakPolarHBondContact O-CB 3.49Å; I926-P928 VanDerWaalsContact C-CD 3.49Å; I926-P928 HydrophobicContact CD1-CG 3.91Å; I926-P928 HydrophobicContact CG1-CG 4.28Å; I926-A936 CarbonylContact O-C 3.58Å; I926-A936 WeakPolarHBondContact O-CA 3.16Å; I926-A936 WeakPolarHBondContact O-CB 3.33Å; I926-I937 HydrophobicContact CG1-CD1 4.39Å; I926-I937 HydrophobicContact CG1-CG1 3.92Å; I926-I937 PolarHBondContact N-O 3Å; I926-I937 PolarHBondContact O-N 2.76Å; I926-V939 HydrophobicContact CB-CG2 4.41Å; I926-V939 HydrophobicContact CD1-CB 4.47Å; I926-V939 HydrophobicContact CD1-CG1 3.88Å; I926-V939 HydrophobicContact CD1-CG2 3.87Å; I926-V939 HydrophobicContact CG1-CB 4.45Å; I926-V939 HydrophobicContact CG1-CG1 3.84Å; I926-V939 HydrophobicContact CG1-CG2 3.72Å; I926-V939 HydrophobicContact CG2-CG2 3.92Å; I926-T948 HydrophobicContact CD1-CG2 3.32Å; I926-L1003 HydrophobicContact CD1-CD1 4.18Å; I926-L1003 HydrophobicContact CD1-CD2 4.17Å
927D95.6Very high93.5Very high12 Ų1261 Ų616%0.06436%0.356CS..  trans-129.977.7179.9-175.45.4000110.9P905 A906 N929 Q930 A936 Q999P905-D927 HydrophobicContact CB-CB 3.9Å; P905-D927 HydrophobicContact CG-CB 3.65Å; A906-D927 PolarHBondContact O-N 2.97Å; D927-N929 PolarHBondContact OD1-OD1 2.9Å; D927-Q930 VanDerWaalsContact OD1-CA 3.26Å; D927-Q930 WeakPolarHBondContact OD1-CA 3.42Å; D927-Q930 PolarHBondContact OD1-N 2.92Å; D927-Q930 WeakPolarHBondContact OD2-CA 3.39Å; D927-A936 HydrophobicContact CB-CB 4.09Å; D927-Q999 PolarHBondContact OD1-NE2 2.77Å
928P95.6Very high93.6Very high1 Ų159.6 Ų59.61%0.00634%0.335CS..SBendtrans-60-38.9177.6-28.232.7000116R907 I926 Q999 F1002 L1003 L1006R907-P928 WeakPolarHBondContact O-CA 3.38Å; I926-P928 VanDerWaalsContact C-CD 3.49Å; I926-P928 HydrophobicContact CD1-CG 3.91Å; I926-P928 HydrophobicContact CG1-CG 4.28Å; P928-Q999 HydrophobicContact CG-CB 4.46Å; P928-F1002 HydrophobicContact CB-CB 3.69Å; P928-L1003 HydrophobicContact CB-CD2 4.38Å; P928-L1003 HydrophobicContact CB-CG 3.99Å; P928-L1003 HydrophobicContact CG-CD1 3.93Å; P928-L1003 HydrophobicContact CG-CD2 3.88Å; P928-L1003 HydrophobicContact CG-CG 3.56Å; P928-L1006 HydrophobicContact CB-CD1 4.4Å
929N93.8Very high93.8Very high34 Ų3455.1 Ų55.118%0.18230%0.298CS..SBendtrans-79.7-26.5-178.173.61.8000112.4D927 D935 Q999 F1002D927-N929 PolarHBondContact OD1-OD1 2.9Å; N929-D935 PolarHBondContact ND2-OD1 2.98Å; N929-D935 PolarHBondContact ND2-OD2 3.46Å; N929-D935 PolarHBondContact OD1-OD1 3.39Å; N929-Q999 VanDerWaalsContact CG-NE2 3.26Å; N929-Q999 PolarHBondContact ND2-NE2 2.6Å; N929-Q999 PolarHBondContact OD1-NE2 3.41Å; N929-Q999 PolarHBondContact OD1-OE1 2.85Å; N929-F1002 HydrophobicContact CB-CB 4.38Å; N929-F1002 HydrophobicContact CB-CD1 4.15Å; N929-F1002 HydrophobicContact CB-CD2 3.43Å; N929-F1002 VanDerWaalsContact CB-CD2 3.43Å; N929-F1002 HydrophobicContact CB-CE1 4.26Å; N929-F1002 HydrophobicContact CB-CE2 3.59Å; N929-F1002 HydrophobicContact CB-CG 3.73Å; N929-F1002 HydrophobicContact CB-CZ 4Å
930Q91.9Very high93.9Very high108 Ų10857.7 Ų57.751%0.50531%0.307SS..  trans65.4166.4-176.6-50.31787.800113.7D927D927-Q930 VanDerWaalsContact OD1-CA 3.26Å; D927-Q930 WeakPolarHBondContact OD1-CA 3.42Å; D927-Q930 PolarHBondContact OD1-N 2.92Å; D927-Q930 WeakPolarHBondContact OD2-CA 3.39Å
931G90.5Very high94Very high78 Ų7850.2 Ų50.280%0.80427%0.272SS*.SBendtrans110.7-70.917000000111.9
932S90.8Very high94Very high64 Ų6449.9 Ų49.945%0.44827%0.267SS..  trans-113100.7179.1-1660000111.6E934 D935S932-E934 PolarHBondContact O-N 2.89Å; S932-D935 PolarHBondContact O-N 3.27Å
933V91.2Very high94Very high63 Ų6349.9 Ų49.938%0.38226%0.262SS..THydrogen-bonded Turntrans-57.6-6178.6-57.60000114.8P905 D935 A936P905-V933 HydrophobicContact CG-CB 3.94Å; P905-V933 HydrophobicContact CG-CG1 3.71Å; V933-D935 VanDerWaalsContact C-N 3.34Å; V933-A936 WeakPolarHBondContact O-CB 3.43Å
934E88.8Confident93.8Very high167 Ų16751.6 Ų51.678%0.7827%0.271SS*.THydrogen-bonded Turntrans-68.2-29.8170.1-60.3-171.9145.100113S932S932-E934 PolarHBondContact O-N 2.89Å
935D91Very high93.7Very high41 Ų4152.6 Ų52.622%0.21928%0.281CS..SBendtrans-96.45.7179.9104.4-28.7000113.4N929 S932 V933 T995 Q999N929-D935 PolarHBondContact ND2-OD1 2.98Å; N929-D935 PolarHBondContact ND2-OD2 3.46Å; N929-D935 PolarHBondContact OD1-OD1 3.39Å; S932-D935 PolarHBondContact O-N 3.27Å; V933-D935 VanDerWaalsContact C-N 3.34Å; D935-T995 HydrophobicContact CB-CG2 3.62Å; D935-T995 WeakPolarHBondContact O-CG2 3.4Å; D935-Q999 PolarHBondContact O-NE2 3.19Å; D935-Q999 PolarHBondContact OD1-NE2 3.47Å
936A92.9Very high93.6Very high6 Ų650.4 Ų50.45%0.0527%0.273CS..  trans-58.7142172.900000111.8P905 W925 I926 D927 V933P905-A936 HydrophobicContact CB-CB 3.94Å; P905-A936 HydrophobicContact CG-CB 3.89Å; W925-A936 VanDerWaalsContact CZ3-O 3.3Å; W925-A936 WeakPolarHBondContact CZ3-O 3.15Å; I926-A936 CarbonylContact O-C 3.58Å; I926-A936 WeakPolarHBondContact O-CA 3.16Å; I926-A936 WeakPolarHBondContact O-CB 3.33Å; D927-A936 HydrophobicContact CB-CB 4.09Å; V933-A936 WeakPolarHBondContact O-CB 3.43Å
937I93.1Very high93.7Very high12 Ų1252 Ų526%0.06228%0.281CS..EExtended strand (participates in β ladder)trans-104141.4-176.651.9166.5000112.3W925 I926 V939 I950 Q999 L1003W925-I937 WeakPolarHBondContact CA-O 3.46Å; I926-I937 HydrophobicContact CG1-CD1 4.39Å; I926-I937 HydrophobicContact CG1-CG1 3.92Å; I926-I937 PolarHBondContact N-O 3Å; I926-I937 PolarHBondContact O-N 2.76Å; I937-V939 HydrophobicContact CD1-CG1 3.9Å; I937-V939 HydrophobicContact CG1-CG1 4.08Å; I937-I950 HydrophobicContact CD1-CD1 3.93Å; I937-I950 HydrophobicContact CD1-CG1 4.39Å; I937-Q999 HydrophobicContact CD1-CB 3.85Å; I937-Q999 HydrophobicContact CG1-CB 4.14Å; I937-Q999 HydrophobicContact CG1-CG 4.41Å; I937-Q999 HydrophobicContact CG2-CB 4.23Å; I937-Q999 HydrophobicContact CG2-CG 4.11Å; I937-L1003 HydrophobicContact CD1-CD1 4.29Å
938K93.6Very high93.8Very high86 Ų8651.6 Ų51.637%0.37428%0.278SS..EExtended strand (participates in β ladder)trans-77.9129169.1-162.6-167.5-174.7-154.40109.5E923 Y924 W925E923-K938 VanDerWaalsContact CD-CE 3.43Å; E923-K938 VanDerWaalsContact OE1-CE 3.3Å; E923-K938 WeakPolarHBondContact OE1-CE 3.41Å; E923-K938 IonicContact OE1-NZ 2.65Å; E923-K938 PolarHBondContact OE1-NZ 3.42Å; E923-K938 WeakPolarHBondContact OE2-CE 3.26Å; E923-K938 IonicContact OE2-NZ 2.67Å; E923-K938 PolarHBondContact OE2-NZ 2.97Å; Y924-K938 WeakPolarHBondContact O-CA 3.49Å; W925-K938 HydrophobicContact CD2-CB 4.1Å; W925-K938 HydrophobicContact CD2-CG 4.43Å; W925-K938 HydrophobicContact CE3-CB 4.24Å; W925-K938 HydrophobicContact CH2-CB 3.91Å; W925-K938 HydrophobicContact CZ2-CB 3.78Å; W925-K938 HydrophobicContact CZ2-CD 4.18Å; W925-K938 HydrophobicContact CZ2-CG 4.03Å; W925-K938 HydrophobicContact CZ3-CB 4.15Å
939V95.4Very high93.8Very high4 Ų451.9 Ų51.92%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-136.9162.4-178.1-61.30000110.8E923 Y924 I926 I937 T948 I950E923-V939 WeakPolarHBondContact CA-O 3.26Å; Y924-V939 PolarHBondContact N-O 3.4Å; Y924-V939 PolarHBondContact O-N 3.05Å; I926-V939 HydrophobicContact CB-CG2 4.41Å; I926-V939 HydrophobicContact CD1-CB 4.47Å; I926-V939 HydrophobicContact CD1-CG1 3.88Å; I926-V939 HydrophobicContact CD1-CG2 3.87Å; I926-V939 HydrophobicContact CG1-CB 4.45Å; I926-V939 HydrophobicContact CG1-CG1 3.84Å; I926-V939 HydrophobicContact CG1-CG2 3.72Å; I926-V939 HydrophobicContact CG2-CG2 3.92Å; I937-V939 HydrophobicContact CD1-CG1 3.9Å; I937-V939 HydrophobicContact CG1-CG1 4.08Å; V939-T948 HydrophobicContact CB-CG2 4.41Å; V939-T948 HydrophobicContact CG1-CG2 4.27Å; V939-T948 HydrophobicContact CG2-CG2 4.36Å; V939-I950 HydrophobicContact CG1-CG1 4.05Å
940Y96.4Very high93.9Very high104 Ų10450.3 Ų50.341%0.40827%0.272SS..EExtended strand (participates in β ladder)trans-91.8123.4162.1-178.3-90.7000109S921 G922 N942 C949S921-Y940 WeakPolarHBondContact CB-OH 3.46Å; G922-Y940 CarbonylContact O-C 3.52Å; G922-Y940 WeakPolarHBondContact O-CA 3.45Å; Y940-N942 HydrophobicContact CE1-CB 4.3Å; Y940-C949 HydrophobicContact CD1-CB 4.4Å; Y940-C949 PolarHBondContact N-O 2.67Å; Y940-C949 WeakPolarHBondContact O-CB 3.38Å; Y940-C949 PolarHBondContact O-N 2.91Å
941C97.3Very high94Very high0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-97.8126.4171.8-65.60000110.1C909 S921 G922 Y924 M943C909-C941 VanDerWaalsContact CA-SG 3.58Å; C909-C941 HydrophobicContact CB-CB 3.47Å; C909-C941 VanDerWaalsContact CB-CB 3.47Å; C909-C941 WeakPolarHBondContact CB-SG 3.4Å; C909-C941 WeakPolarHBondContact SG-CA 3.23Å; C909-C941 WeakPolarHBondContact SG-CB 3.35Å; C909-C941 CovalentContact SG-SG 2.03Å; C909-C941 PolarHBondContact SG-SG 3.02Å; S921-C941 CarbonylContact C-O 3.11Å; S921-C941 VanDerWaalsContact CA-O 3.24Å; S921-C941 WeakPolarHBondContact CA-O 3.09Å; G922-C941 PolarHBondContact N-O 3.18Å; G922-C941 PolarHBondContact O-N 3.48Å; Y924-C941 HydrophobicContact CD2-CB 3.72Å; Y924-C941 HydrophobicContact CE2-CB 4.3Å; C941-M943 HydrophobicContact CB-CE 3.85Å; C941-M943 HydrophobicContact CB-SD 4.47Å
942N96.4Very high94.1Very high32 Ų3245 Ų4517%0.17124%0.235CC..  trans-90.8103165.8-172.81.5000109.1S921 Y940 E944 T945 G946 E947S921-N942 PolarHBondContact OG-OD1 2.65Å; Y940-N942 HydrophobicContact CE1-CB 4.3Å; N942-E944 PolarHBondContact O-N 2.96Å; N942-E944 PolarHBondContact OD1-N 2.83Å; N942-T945 WeakPolarHBondContact CB-OG1 3.31Å; N942-T945 WeakPolarHBondContact ND2-CG2 3.42Å; N942-T945 PolarHBondContact ND2-OG1 2.63Å; N942-T945 PolarHBondContact O-N 3.1Å; N942-G946 WeakPolarHBondContact O-CA 3.38Å; N942-G946 PolarHBondContact O-N 3.3Å; N942-E947 HydrophobicContact CB-CB 4.17Å; N942-E947 PolarHBondContact N-O 3.04Å; N942-E947 PolarHBondContact ND2-OE2 3.3Å; N942-E947 VanDerWaalsContact ND2-OE2 3.14Å; N942-E947 PolarHBondContact O-N 3.01Å
943M95.4Very high94.1Very high18 Ų1843.9 Ų43.99%0.08922%0.224CC..THydrogen-bonded Turntrans-72-17-177.2-63.3-65.6179.200112.9L912 K913 K919 Q920 S921 Y924 C941L912-M943 HydrophobicContact CD2-CE 3.71Å; L912-M943 HydrophobicContact CG-CE 3.9Å; K913-M943 HydrophobicContact CB-SD 3.94Å; K913-M943 VanDerWaalsContact CD-O 3.22Å; K913-M943 WeakPolarHBondContact CD-O 3.34Å; K913-M943 WeakPolarHBondContact CE-O 3.46Å; K919-M943 HydrophobicContact CB-CE 3.87Å; K919-M943 HydrophobicContact CB-SD 4.32Å; K919-M943 HydrophobicContact CD-CE 4.43Å; K919-M943 WeakPolarHBondContact O-CG 3.26Å; Q920-M943 VanDerWaalsContact C-CG 3.4Å; Q920-M943 WeakPolarHBondContact O-CG 3.42Å; S921-M943 PolarHBondContact OG-N 2.84Å; Y924-M943 HydrophobicContact CD2-CE 3.79Å; Y924-M943 HydrophobicContact CE1-CE 4.36Å; Y924-M943 HydrophobicContact CE2-CE 3.33Å; Y924-M943 HydrophobicContact CG-CE 4.45Å; C941-M943 HydrophobicContact CB-CE 3.85Å; C941-M943 HydrophobicContact CB-SD 4.47Å
944E93.5Very high94.2Very high165 Ų16544.6 Ų44.677%0.77123%0.23SC*.THydrogen-bonded Turntrans-71.4-49.5174.4-60.7-179.2-173.500110.6K913 N942K913-E944 PolarHBondContact NZ-O 3.33Å; N942-E944 PolarHBondContact O-N 2.96Å; N942-E944 PolarHBondContact OD1-N 2.83Å
945T93.9Very high94.3Very high62 Ų6240.1 Ų40.138%0.3822%0.217SC..THydrogen-bonded Turntrans-90.8-33.9-176.157.50000113.5K913 N942 E947K913-T945 PolarHBondContact NZ-O 3.38Å; N942-T945 WeakPolarHBondContact CB-OG1 3.31Å; N942-T945 WeakPolarHBondContact ND2-CG2 3.42Å; N942-T945 PolarHBondContact ND2-OG1 2.63Å; N942-T945 PolarHBondContact O-N 3.1Å; T945-E947 VanDerWaalsContact CB-OE2 3.29Å; T945-E947 WeakPolarHBondContact CB-OE2 3.36Å; T945-E947 WeakPolarHBondContact CG2-OE2 3.17Å; T945-E947 WeakPolarHBondContact OG1-CB 3.3Å; T945-E947 VanDerWaalsContact OG1-CD 3.23Å; T945-E947 VanDerWaalsContact OG1-CG 3.24Å; T945-E947 WeakPolarHBondContact OG1-CG 3.32Å; T945-E947 PolarHBondContact OG1-N 2.97Å; T945-E947 VanDerWaalsContact OG1-N 3.15Å; T945-E947 PolarHBondContact OG1-OE2 2.91Å
946G94.1Very high94.5Very high1 Ų141.2 Ų41.21%0.0123%0.227CC..  trans98-3.6-166.600000113.5D910 N942 T948D910-G946 PolarHBondContact N-O 2.92Å; N942-G946 WeakPolarHBondContact O-CA 3.38Å; N942-G946 PolarHBondContact O-N 3.3Å; G946-T948 PolarHBondContact O-N 2.86Å
947E96.5Very high94.7Very high35 Ų3541.2 Ų41.216%0.16423%0.227CC..  trans-63.1132.5-173.2-70158.8134.700112.9N942 T945 C1110 F1111 V1112N942-E947 HydrophobicContact CB-CB 4.17Å; N942-E947 PolarHBondContact N-O 3.04Å; N942-E947 PolarHBondContact ND2-OE2 3.3Å; N942-E947 VanDerWaalsContact ND2-OE2 3.14Å; N942-E947 PolarHBondContact O-N 3.01Å; T945-E947 VanDerWaalsContact CB-OE2 3.29Å; T945-E947 WeakPolarHBondContact CB-OE2 3.36Å; T945-E947 WeakPolarHBondContact CG2-OE2 3.17Å; T945-E947 WeakPolarHBondContact OG1-CB 3.3Å; T945-E947 VanDerWaalsContact OG1-CD 3.23Å; T945-E947 VanDerWaalsContact OG1-CG 3.24Å; T945-E947 WeakPolarHBondContact OG1-CG 3.32Å; T945-E947 PolarHBondContact OG1-N 2.97Å; T945-E947 VanDerWaalsContact OG1-N 3.15Å; T945-E947 PolarHBondContact OG1-OE2 2.91Å; E947-C1110 HydrophobicContact CB-CB 4.43Å; E947-F1111 WeakPolarHBondContact CA-O 3.34Å; E947-V1112 HydrophobicContact CG-CB 3.96Å; E947-V1112 HydrophobicContact CG-CG1 4.26Å; E947-V1112 HydrophobicContact CG-CG2 4.45Å
948T97.4Very high94.8Very high2 Ų244.7 Ų44.71%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-97.1105.6172.2-60.30000109.7C909 I926 V939 G946 L1003 C1110 F1111C909-T948 VanDerWaalsContact CB-OG1 3.27Å; C909-T948 WeakPolarHBondContact CB-OG1 3.24Å; C909-T948 PolarHBondContact N-OG1 2.95Å; C909-T948 VanDerWaalsContact N-OG1 3.13Å; C909-T948 PolarHBondContact SG-OG1 2.79Å; I926-T948 HydrophobicContact CD1-CG2 3.32Å; V939-T948 HydrophobicContact CB-CG2 4.41Å; V939-T948 HydrophobicContact CG1-CG2 4.27Å; V939-T948 HydrophobicContact CG2-CG2 4.36Å; G946-T948 PolarHBondContact O-N 2.86Å; T948-L1003 HydrophobicContact CG2-CD1 3.88Å; T948-L1003 HydrophobicContact CG2-CD2 3.82Å; T948-C1110 CarbonylContact O-C 3.54Å; T948-C1110 VanDerWaalsContact O-CA 3.32Å; T948-C1110 WeakPolarHBondContact O-CA 3.49Å; T948-F1111 PolarHBondContact N-O 2.9Å; T948-F1111 PolarHBondContact O-N 3.46Å
949C96.7Very high94.8Very high8 Ų845.1 Ų45.15%0.05425%0.249CC..EExtended strand (participates in β ladder)trans-106.8117.6-174.7-63.50000112.6Y940 P1108 V1109 C1110Y940-C949 HydrophobicContact CD1-CB 4.4Å; Y940-C949 PolarHBondContact N-O 2.67Å; Y940-C949 WeakPolarHBondContact O-CB 3.38Å; Y940-C949 PolarHBondContact O-N 2.91Å; C949-P1108 HydrophobicContact CB-CB 4.11Å; C949-P1108 HydrophobicContact CB-CG 4.41Å; C949-V1109 CarbonylContact C-O 3.57Å; C949-V1109 WeakPolarHBondContact CA-O 3.49Å; C949-C1110 HydrophobicContact CB-CB 4.18Å; C949-C1110 WeakPolarHBondContact CB-SG 3.45Å; C949-C1110 WeakPolarHBondContact SG-CB 3.19Å; C949-C1110 CovalentContact SG-SG 2.05Å; C949-C1110 PolarHBondContact SG-SG 3.23Å
950I95.3Very high94.8Very high1 Ų148.7 Ų48.71%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-100.8118.9177.6-45.6177.8000109.8I937 V939 M1000 L1003 P1108 V1109 F1111I937-I950 HydrophobicContact CD1-CD1 3.93Å; I937-I950 HydrophobicContact CD1-CG1 4.39Å; V939-I950 HydrophobicContact CG1-CG1 4.05Å; I950-M1000 HydrophobicContact CD1-CB 4.16Å; I950-M1000 HydrophobicContact CD1-CG 4.12Å; I950-M1000 HydrophobicContact CD1-SD 4.15Å; I950-L1003 HydrophobicContact CD1-CD1 3.8Å; I950-L1003 HydrophobicContact CG1-CD1 4.46Å; I950-P1108 CarbonylContact O-C 3.14Å; I950-P1108 WeakPolarHBondContact O-CA 3.39Å; I950-P1108 WeakPolarHBondContact O-CB 3.38Å; I950-V1109 HydrophobicContact CB-CG1 4Å; I950-V1109 PolarHBondContact N-O 3.46Å; I950-V1109 PolarHBondContact O-N 3.49Å; I950-F1111 HydrophobicContact CD1-CE2 4.12Å
951S93.4Very high94.6Very high69 Ų6946.3 Ų46.348%0.48326%0.261SS..PPolyproline II helixtrans-70.8145.6176.1-59.60000113G988S951-G988 PolarHBondContact O-N 2.93Å
952A93.3Very high94.4Very high6 Ų647.5 Ų47.55%0.0527%0.266CS..BIsolated β-bridgetrans-72.3150168.100000111.6S955 A986 Y987 I1106A952-S955 WeakPolarHBondContact O-CA 3.18Å; A952-S955 WeakPolarHBondContact O-CB 3.25Å; A952-S955 PolarHBondContact O-N 2.9Å; A952-A986 CarbonylContact C-O 3.6Å; A952-A986 WeakPolarHBondContact CA-O 3.34Å; A952-Y987 HydrophobicContact CB-CD1 3.95Å; A952-Y987 HydrophobicContact CB-CE1 3.6Å; A952-I1106 HydrophobicContact CB-CB 3.72Å; A952-I1106 HydrophobicContact CB-CD1 4.47Å; A952-I1106 HydrophobicContact CB-CG2 3.38Å
953N90.9Very high94.2Very high40 Ų4049.5 Ų49.521%0.21427%0.271CS..SBendtrans-142.2109.9178.7-172.11.8000110.9A986 G988 H990N953-A986 PolarHBondContact N-O 2.84Å; N953-G988 VanDerWaalsContact CB-O 3.23Å; N953-G988 WeakPolarHBondContact CB-O 3.43Å; N953-G988 PolarHBondContact ND2-O 2.91Å; N953-H990 PolarHBondContact ND2-CD2 3.33Å; N953-H990 PolarHBondContact ND2-CE1 2.76Å; N953-H990 PolarHBondContact ND2-ND1 3.22Å; N953-H990 PolarHBondContact ND2-NE2 3.13Å; N953-H990 PolarHBondContact OD1-CE1 3.2Å; N953-H990 PolarHBondContact OD1-NE2 3.05Å
954P92.1Very high93.8Very high78 Ų7851.9 Ų51.951%0.50629%0.294SS..SBendcis-65.6146.8-3.229.5-36000111.9S956P954-S956 PolarHBondContact O-N 2.87Å
955S92.4Very high93.4Very high72 Ų7246 Ų4650%0.50327%0.271SS..  trans-77.9-4.2178.457.10000114.2A952 I1106A952-S955 WeakPolarHBondContact O-CA 3.18Å; A952-S955 WeakPolarHBondContact O-CB 3.25Å; A952-S955 PolarHBondContact O-N 2.9Å; S955-I1106 PolarHBondContact O-N 3.4Å
956S95.2Very high92.5Very high64 Ų6453.6 Ų53.645%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-150151.7177.6590000113.6P954 V1104P954-S956 PolarHBondContact O-N 2.87Å; S956-V1104 CarbonylContact C-O 3.56Å; S956-V1104 WeakPolarHBondContact CA-O 3.31Å; S956-V1104 WeakPolarHBondContact CB-O 3.38Å
957V95.9Very high91.3Very high6 Ų656 Ų564%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-108.5118.3173.9174.60000107.6W962 Y975 F985 G1103 V1104 I1106V957-W962 HydrophobicContact CG1-CH2 4.14Å; V957-W962 HydrophobicContact CG1-CZ2 3.31Å; V957-Y975 HydrophobicContact CG1-CD2 4.27Å; V957-Y975 HydrophobicContact CG1-CE1 4.29Å; V957-Y975 HydrophobicContact CG1-CE2 3.49Å; V957-Y975 VanDerWaalsContact CG1-CE2 3.49Å; V957-Y975 HydrophobicContact CG2-CE1 3.77Å; V957-Y975 HydrophobicContact CG2-CE2 4.47Å; V957-F985 HydrophobicContact CG2-CE1 3.95Å; V957-G1103 CarbonylContact O-C 3.58Å; V957-G1103 VanDerWaalsContact O-CA 3.24Å; V957-G1103 WeakPolarHBondContact O-CA 3.49Å; V957-V1104 HydrophobicContact CB-CB 3.84Å; V957-V1104 HydrophobicContact CB-CG2 4.07Å; V957-V1104 HydrophobicContact CG1-CG2 4.45Å; V957-V1104 HydrophobicContact CG2-CB 4.01Å; V957-V1104 HydrophobicContact CG2-CG2 4.29Å; V957-V1104 PolarHBondContact N-O 2.87Å; V957-V1104 PolarHBondContact O-N 2.84Å; V957-I1106 HydrophobicContact CG2-CD1 4.34Å
958P95.3Very high89.9Confident85 Ų8560.4 Ų60.455%0.55235%0.347SS*.EExtended strand (participates in β ladder)trans-63.9139.8-172.423.3-33.4000112.7K960 W962P958-K960 PolarHBondContact O-N 2.82Å; P958-W962 HydrophobicContact CG-CH2 4.45Å; P958-W962 HydrophobicContact CG-CZ2 3.94Å; P958-W962 PolarHBondContact O-NE1 3.5Å
959R94.8Very high88.5Confident95 Ų9563.8 Ų63.836%0.35837%0.365SS..EExtended strand (participates in β ladder)trans-71.7114-176.7-167.6-173.56871.214.9111.7I1017 E1101 F1102R959-I1017 HydrophobicContact CG-CG2 4.35Å; R959-E1101 IonicContact CZ-OE2 2.7Å; R959-E1101 IonicContact NH1-OE2 2.64Å; R959-E1101 PolarHBondContact NH1-OE2 3.36Å; R959-E1101 IonicContact NH2-OE2 3.31Å; R959-E1101 PolarHBondContact NH2-OE2 2.9Å; R959-F1102 VanDerWaalsContact CA-O 3.3Å; R959-F1102 WeakPolarHBondContact CA-O 3.37Å
960K94.2Very high87.7Confident79 Ų7968.3 Ų68.334%0.34339%0.388SS..EExtended strand (participates in β ladder)trans-162.8177.4175.561.7174.8177.1177.10111.3P958 W962 E1101 F1102P958-K960 PolarHBondContact O-N 2.82Å; K960-W962 HydrophobicContact CD-CD2 4.37Å; K960-W962 HydrophobicContact CD-CZ2 4.38Å; K960-W962 VanDerWaalsContact CE-CZ3 3.41Å; K960-W962 HydrophobicContact CG-CD2 4.16Å; K960-W962 HydrophobicContact CG-CG 4.19Å; K960-W962 HydrophobicContact CG-CZ2 4.38Å; K960-W962 VanDerWaalsContact O-CD1 3.3Å; K960-W962 PolarHBondContact O-N 2.93Å; K960-E1101 WeakPolarHBondContact O-CA 3.22Å; K960-F1102 PolarHBondContact N-O 2.89Å; K960-F1102 PolarHBondContact O-N 3.06Å; K960-F1102 VanDerWaalsContact O-O 3.08Å
961T93.6Very high87.4Confident55 Ų5574.1 Ų74.134%0.33741%0.413SS..  trans-73.2103.8164.6-54.60000109.4W963 Q1100 E1101T961-W963 WeakPolarHBondContact CG2-O 3.17Å; T961-Q1100 WeakPolarHBondContact CA-O 3.14Å; T961-Q1100 WeakPolarHBondContact CB-O 3.44Å; T961-Q1100 WeakPolarHBondContact CG2-O 3.35Å; T961-Q1100 PolarHBondContact OG1-O 2.95Å; T961-E1101 WeakPolarHBondContact OG1-CG 3.4Å
962W92.8Very high87.4Confident25 Ų2573.8 Ų73.810%0.09541%0.41CS..  trans-87.3-28.2176.7-71.594.1000113.4V957 P958 K960 Y975 M979 F1102V957-W962 HydrophobicContact CG1-CH2 4.14Å; V957-W962 HydrophobicContact CG1-CZ2 3.31Å; P958-W962 HydrophobicContact CG-CH2 4.45Å; P958-W962 HydrophobicContact CG-CZ2 3.94Å; P958-W962 PolarHBondContact O-NE1 3.5Å; K960-W962 HydrophobicContact CD-CD2 4.37Å; K960-W962 HydrophobicContact CD-CZ2 4.38Å; K960-W962 VanDerWaalsContact CE-CZ3 3.41Å; K960-W962 HydrophobicContact CG-CD2 4.16Å; K960-W962 HydrophobicContact CG-CG 4.19Å; K960-W962 HydrophobicContact CG-CZ2 4.38Å; K960-W962 VanDerWaalsContact O-CD1 3.3Å; K960-W962 PolarHBondContact O-N 2.93Å; W962-Y975 HydrophobicContact CD2-CD2 4.31Å; W962-Y975 AromaticContact CD2-CE2 3.79Å; W962-Y975 HydrophobicContact CD2-CE2 3.79Å; W962-Y975 AromaticContact CE2-CE2 3.85Å; W962-Y975 HydrophobicContact CE3-CD2 4.37Å; W962-Y975 AromaticContact CE3-CE2 3.7Å; W962-Y975 HydrophobicContact CE3-CE2 3.7Å; W962-Y975 AromaticContact CH2-CE2 3.71Å; W962-Y975 HydrophobicContact CH2-CE2 3.71Å; W962-Y975 WeakPolarHBondContact CH2-OH 3.37Å; W962-Y975 AromaticContact CZ2-CE2 3.83Å; W962-Y975 HydrophobicContact CZ2-CE2 3.83Å; W962-Y975 AromaticContact CZ3-CE2 3.65Å; W962-Y975 HydrophobicContact CZ3-CE2 3.65Å; W962-M979 HydrophobicContact CB-SD 3.55Å; W962-M979 VanDerWaalsContact CB-SD 3.55Å; W962-F1102 HydrophobicContact CB-CE1 3.72Å; W962-F1102 HydrophobicContact CB-CZ 3.91Å; W962-F1102 AromaticContact CD1-CE1 3.85Å; W962-F1102 AromaticContact CD1-CE2 3.93Å; W962-F1102 AromaticContact CD1-CZ 3.76Å; W962-F1102 HydrophobicContact CG-CE1 4.08Å; W962-F1102 HydrophobicContact CG-CE2 4.48Å; W962-F1102 AromaticContact CG-CZ 3.96Å; W962-F1102 HydrophobicContact CG-CZ 3.96Å; W962-F1102 PolarHBondContact NE1-O 3.45Å
963W91.1Very high87.4Confident74 Ų7474.4 Ų74.428%0.2841%0.413SS..  trans-133.4136.8-175.6-174.2-113.5000111T961 V973 D978 M979 V1095T961-W963 WeakPolarHBondContact CG2-O 3.17Å; W963-V973 HydrophobicContact CD2-CG1 3.93Å; W963-V973 HydrophobicContact CE3-CG1 4.25Å; W963-V973 HydrophobicContact CG-CG1 4.21Å; W963-V973 HydrophobicContact CZ2-CG1 4.4Å; W963-D978 WeakPolarHBondContact CZ3-O 3.45Å; W963-M979 HydrophobicContact CB-CE 4.09Å; W963-M979 HydrophobicContact CB-CG 4.37Å; W963-M979 HydrophobicContact CB-SD 3.96Å; W963-M979 HydrophobicContact CE3-CG 4.28Å; W963-V1095 HydrophobicContact CB-CG2 4.44Å
964A88.3Confident87.6Confident68 Ų6874.3 Ų74.356%0.56241%0.409SS*.BIsolated β-bridgetrans-136.1126.9174.900000109.1G1096A964-G1096 CarbonylContact C-O 3.56Å; A964-G1096 WeakPolarHBondContact CA-O 3.27Å
965S84.6Confident87.8Confident41 Ų4171.1 Ų71.129%0.28739%0.388SS..  trans-122.3148-177.9-174.50000111.1S967 G1096S965-S967 VanDerWaalsContact C-N 3.35Å; S965-S967 WeakPolarHBondContact CB-O 3.3Å; S965-S967 PolarHBondContact OG-N 2.83Å; S965-S967 VanDerWaalsContact OG-N 3.12Å; S965-S967 PolarHBondContact OG-O 2.05Å; S965-S967 PolarHBondContact OG-OG 2.93Å; S965-G1096 PolarHBondContact N-O 3.02Å
966K74.3Confident87.8Confident221 Ų22168.6 Ų68.696%0.96137%0.372SS*.SBendtrans-85.3-10.5170.1-62.1-170.3-178.2-175.50112.8
967S70.2Confident87.6Confident52 Ų5270.3 Ų70.336%0.36438%0.376SS..SBendtrans-122.2132.6176.252.80000110.4S965 D969S965-S967 VanDerWaalsContact C-N 3.35Å; S965-S967 WeakPolarHBondContact CB-O 3.3Å; S965-S967 PolarHBondContact OG-N 2.83Å; S965-S967 VanDerWaalsContact OG-N 3.12Å; S965-S967 PolarHBondContact OG-O 2.05Å; S965-S967 PolarHBondContact OG-OG 2.93Å; S967-D969 WeakPolarHBondContact CB-OD2 2.98Å; S967-D969 PolarHBondContact O-N 2.93Å; S967-D969 PolarHBondContact OG-OD2 2.91Å
968P65.7Low87.4Confident128 Ų12873.5 Ų73.583%0.83139%0.393SS*.  trans-79.958.1176.734.6-36000111N970P968-N970 PolarHBondContact O-N 3.48Å
969D69.2Low87.2Confident73 Ų7370 Ų7039%0.3937%0.369SS..  trans-71.2106.8171.1-77.2-87.6000109.5S967 K971S967-D969 WeakPolarHBondContact CB-OD2 2.98Å; S967-D969 PolarHBondContact O-N 2.93Å; S967-D969 PolarHBondContact OG-OD2 2.91Å; D969-K971 HydrophobicContact CB-CD 4.02Å; D969-K971 HydrophobicContact CB-CG 4.24Å; D969-K971 PolarHBondContact O-N 2.86Å; D969-K971 WeakPolarHBondContact OD1-CE 3.48Å; D969-K971 IonicContact OD1-NZ 3.92Å; D969-K971 PolarHBondContact OD1-NZ 3.47Å
970N78.6Confident86.8Confident103 Ų10371.9 Ų71.955%0.55139%0.387SS*.  trans-71.868.6171.1-60.6-75000110.3P968 V1093P968-N970 PolarHBondContact O-N 3.48Å; N970-V1093 HydrophobicContact CB-CG1 4.21Å
971K89.3Confident86.5Confident122 Ų12278.9 Ų78.953%0.5341%0.411SS..  trans-118143.3178.1-69.3171.3-178.7150.40108.7D969 V973D969-K971 HydrophobicContact CB-CD 4.02Å; D969-K971 HydrophobicContact CB-CG 4.24Å; D969-K971 PolarHBondContact O-N 2.86Å; D969-K971 WeakPolarHBondContact OD1-CE 3.48Å; D969-K971 IonicContact OD1-NZ 3.92Å; D969-K971 PolarHBondContact OD1-NZ 3.47Å; K971-V973 PolarHBondContact O-N 3.44Å
972P92.9Very high86.2Confident63 Ų6377.1 Ų77.141%0.40940%0.404SS..  trans-60.7130168.726.3-32.6000109.4V1037 A1091 V1093P972-V1037 HydrophobicContact CB-CG2 4.31Å; P972-A1091 HydrophobicContact CB-CB 3.74Å; P972-V1093 HydrophobicContact CB-CG2 4.06Å
973V94.4Very high86.2Confident18 Ų1878.8 Ų78.811%0.10942%0.42CS..  trans-116.6117.8174.8-179.90000107.5W963 K971 D978 M979 A1091 P1092 V1095W963-V973 HydrophobicContact CD2-CG1 3.93Å; W963-V973 HydrophobicContact CE3-CG1 4.25Å; W963-V973 HydrophobicContact CG-CG1 4.21Å; W963-V973 HydrophobicContact CZ2-CG1 4.4Å; K971-V973 PolarHBondContact O-N 3.44Å; V973-D978 HydrophobicContact CG1-CB 3.58Å; V973-M979 HydrophobicContact CB-CE 3.93Å; V973-M979 HydrophobicContact CG1-CE 3.73Å; V973-M979 HydrophobicContact CG1-CG 3.98Å; V973-M979 VanDerWaalsContact O-CE 3.27Å; V973-M979 WeakPolarHBondContact O-CE 3.26Å; V973-A1091 VanDerWaalsContact O-CA 3.24Å; V973-A1091 WeakPolarHBondContact O-CA 3.43Å; V973-A1091 WeakPolarHBondContact O-CB 3.39Å; V973-P1092 PolarHBondContact N-O 2.8Å; V973-P1092 WeakPolarHBondContact O-CD 3.5Å; V973-V1095 HydrophobicContact CB-CG2 4.42Å; V973-V1095 HydrophobicContact CG2-CG2 4.49Å
974W95.7Very high86.3Confident38 Ų3879.5 Ų79.514%0.14443%0.426CS..  trans-72.8128.7-174.7-69.7104.9000112.2L977 D978 M979 V1037 K1039 D1045 D1089 A1091W974-L977 HydrophobicContact CB-CB 3.91Å; W974-L977 HydrophobicContact CB-CD1 4.43Å; W974-L977 HydrophobicContact CB-CG 4.44Å; W974-L977 HydrophobicContact CG-CD1 4.36Å; W974-D978 WeakPolarHBondContact CB-OD2 3.06Å; W974-D978 PolarHBondContact N-OD2 2.84Å; W974-D978 WeakPolarHBondContact O-CB 3.43Å; W974-D978 PolarHBondContact O-N 2.83Å; W974-M979 PolarHBondContact O-N 3.04Å; W974-V1037 HydrophobicContact CH2-CB 4.45Å; W974-V1037 HydrophobicContact CH2-CG1 3.75Å; W974-V1037 HydrophobicContact CZ2-CG1 4.27Å; W974-K1039 HydrophobicContact CE3-CB 4.43Å; W974-K1039 HydrophobicContact CH2-CB 3.69Å; W974-K1039 HydrophobicContact CH2-CD 4.28Å; W974-K1039 HydrophobicContact CH2-CG 3.89Å; W974-K1039 HydrophobicContact CZ2-CG 4.45Å; W974-K1039 HydrophobicContact CZ3-CB 3.58Å; W974-K1039 HydrophobicContact CZ3-CD 4.43Å; W974-K1039 HydrophobicContact CZ3-CG 4.19Å; W974-D1045 WeakPolarHBondContact CZ2-OD1 3.3Å; W974-D1089 HydrophobicContact CE3-CB 3.86Å; W974-D1089 HydrophobicContact CZ3-CB 4.17Å; W974-A1091 HydrophobicContact CD2-CB 3.65Å; W974-A1091 HydrophobicContact CE3-CB 3.49Å; W974-A1091 VanDerWaalsContact CE3-CB 3.49Å; W974-A1091 HydrophobicContact CG-CB 4.13Å; W974-A1091 HydrophobicContact CH2-CB 4.34Å; W974-A1091 HydrophobicContact CZ2-CB 4.47Å; W974-A1091 HydrophobicContact CZ3-CB 3.83Å
975Y95.6Very high86.6Confident12 Ų1277 Ų775%0.04740%0.402CS..Hα-helixtrans-57.9-52175.2170.1-105.4000111.5V957 W962 L977 G982 S983 F985 D1089 L1090 F1102V957-Y975 HydrophobicContact CG1-CD2 4.27Å; V957-Y975 HydrophobicContact CG1-CE1 4.29Å; V957-Y975 HydrophobicContact CG1-CE2 3.49Å; V957-Y975 VanDerWaalsContact CG1-CE2 3.49Å; V957-Y975 HydrophobicContact CG2-CE1 3.77Å; V957-Y975 HydrophobicContact CG2-CE2 4.47Å; W962-Y975 HydrophobicContact CD2-CD2 4.31Å; W962-Y975 AromaticContact CD2-CE2 3.79Å; W962-Y975 HydrophobicContact CD2-CE2 3.79Å; W962-Y975 AromaticContact CE2-CE2 3.85Å; W962-Y975 HydrophobicContact CE3-CD2 4.37Å; W962-Y975 AromaticContact CE3-CE2 3.7Å; W962-Y975 HydrophobicContact CE3-CE2 3.7Å; W962-Y975 AromaticContact CH2-CE2 3.71Å; W962-Y975 HydrophobicContact CH2-CE2 3.71Å; W962-Y975 WeakPolarHBondContact CH2-OH 3.37Å; W962-Y975 AromaticContact CZ2-CE2 3.83Å; W962-Y975 HydrophobicContact CZ2-CE2 3.83Å; W962-Y975 AromaticContact CZ3-CE2 3.65Å; W962-Y975 HydrophobicContact CZ3-CE2 3.65Å; Y975-L977 PolarHBondContact O-N 3.49Å; Y975-G982 WeakPolarHBondContact O-CA 3.04Å; Y975-S983 WeakPolarHBondContact CD1-O 2.96Å; Y975-S983 WeakPolarHBondContact CE1-O 3.35Å; Y975-F985 AromaticContact CD1-CE1 3.72Å; Y975-F985 HydrophobicContact CD1-CE1 3.72Å; Y975-F985 HydrophobicContact CD1-CZ 4.26Å; Y975-F985 AromaticContact CE1-CE1 3.84Å; Y975-F985 HydrophobicContact CE1-CE1 3.84Å; Y975-D1089 PolarHBondContact N-OD1 2.87Å; Y975-L1090 VanDerWaalsContact CB-O 3.23Å; Y975-L1090 WeakPolarHBondContact CB-O 3.35Å; Y975-L1090 PolarHBondContact N-O 2.96Å; Y975-F1102 HydrophobicContact CD2-CE2 4.39Å; Y975-F1102 HydrophobicContact CD2-CZ 4.3Å
976G92.9Very high86.9Confident18 Ų1877.1 Ų77.119%0.18641%0.406CS..Hα-helixtrans-77.5-15.9-174.400000116D1089G976-D1089 VanDerWaalsContact CA-OD2 3.26Å; G976-D1089 WeakPolarHBondContact CA-OD2 3.45Å; G976-D1089 VanDerWaalsContact N-CG 3.35Å; G976-D1089 PolarHBondContact N-OD1 3.45Å; G976-D1089 PolarHBondContact N-OD2 2.82Å
977L90.1Very high87.8Confident100 Ų10067.3 Ų67.352%0.52436%0.363SS..Hα-helixtrans-117.7-40.7-174.3-61.2170.9000114W974 Y975W974-L977 HydrophobicContact CB-CB 3.91Å; W974-L977 HydrophobicContact CB-CD1 4.43Å; W974-L977 HydrophobicContact CB-CG 4.44Å; W974-L977 HydrophobicContact CG-CD1 4.36Å; Y975-L977 PolarHBondContact O-N 3.49Å
978D91.1Very high88.6Confident74 Ų7465.5 Ų65.540%0.39635%0.352SS..Hα-helixtrans-101.5-24.2-172.7-60.2-46.4000113.3W963 V973 W974W963-D978 WeakPolarHBondContact CZ3-O 3.45Å; V973-D978 HydrophobicContact CG1-CB 3.58Å; W974-D978 WeakPolarHBondContact CB-OD2 3.06Å; W974-D978 PolarHBondContact N-OD2 2.84Å; W974-D978 WeakPolarHBondContact O-CB 3.43Å; W974-D978 PolarHBondContact O-N 2.83Å
979M92.3Very high89.3Confident10 Ų1063 Ų635%0.04933%0.332CS..SBendtrans-94.1135.6-172.7-58.8-165.8-165.800113.9W962 W963 V973 W974 R981 G982 P1092 V1095 F1102W962-M979 HydrophobicContact CB-SD 3.55Å; W962-M979 VanDerWaalsContact CB-SD 3.55Å; W963-M979 HydrophobicContact CB-CE 4.09Å; W963-M979 HydrophobicContact CB-CG 4.37Å; W963-M979 HydrophobicContact CB-SD 3.96Å; W963-M979 HydrophobicContact CE3-CG 4.28Å; V973-M979 HydrophobicContact CB-CE 3.93Å; V973-M979 HydrophobicContact CG1-CE 3.73Å; V973-M979 HydrophobicContact CG1-CG 3.98Å; V973-M979 VanDerWaalsContact O-CE 3.27Å; V973-M979 WeakPolarHBondContact O-CE 3.26Å; W974-M979 PolarHBondContact O-N 3.04Å; M979-R981 PolarHBondContact O-N 3.3Å; M979-G982 PolarHBondContact O-N 3.14Å; M979-P1092 HydrophobicContact CE-CG 3.91Å; M979-V1095 HydrophobicContact CE-CG2 4.29Å; M979-F1102 HydrophobicContact CE-CE1 3.82Å; M979-F1102 HydrophobicContact CE-CZ 3.81Å; M979-F1102 HydrophobicContact SD-CE1 3.77Å; M979-F1102 HydrophobicContact SD-CZ 3.6Å
980N86.2Confident89Confident135 Ų13566.4 Ų66.472%0.72235%0.345SS*.THydrogen-bonded Turntrans-59.5119.5179-77.8-51.4000112.2G982N980-G982 PolarHBondContact O-N 3.27Å
981R87.8Confident88.3Confident226 Ų22668.6 Ų68.685%0.85335%0.352SS*.THydrogen-bonded Turntrans6616.2-175.4-48.3171174.6-98.61.9114.8M979M979-R981 PolarHBondContact O-N 3.3Å
982G88.1Confident87.2Confident19 Ų1965 Ų6520%0.19634%0.343CS..  trans-72.9167.2161.300000111.3Y975 M979 N980Y975-G982 WeakPolarHBondContact O-CA 3.04Å; M979-G982 PolarHBondContact O-N 3.14Å; N980-G982 PolarHBondContact O-N 3.27Å
983S92.1Very high86.2Confident60 Ų6065.3 Ų65.342%0.4234%0.344SS..  trans-155.7150.5176.7630000109.7Y975Y975-S983 WeakPolarHBondContact CD1-O 2.96Å; Y975-S983 WeakPolarHBondContact CE1-O 3.35Å
984Q93.1Very high85.5Confident88 Ų8870.2 Ų70.241%0.41137%0.37SS..PPolyproline II helixtrans-62.5154170.7-69.6-176.7-26.500111.4I1088 D1089Q984-I1088 CarbonylContact C-O 3.42Å; Q984-I1088 VanDerWaalsContact CA-O 3.25Å; Q984-I1088 WeakPolarHBondContact CA-O 3.35Å; Q984-I1088 VanDerWaalsContact CB-O 3.31Å; Q984-I1088 WeakPolarHBondContact CB-O 3.41Å; Q984-D1089 HydrophobicContact CG-CB 4.49Å
985F93.8Very high84.9Confident16 Ų1669.7 Ų69.77%0.0737%0.371CS..PPolyproline II helixtrans-79.1122.2-177.1-50-35.8000110.6V957 Y975 Y987 I1014 I1087 I1088 L1090 I1106V957-F985 HydrophobicContact CG2-CE1 3.95Å; Y975-F985 AromaticContact CD1-CE1 3.72Å; Y975-F985 HydrophobicContact CD1-CE1 3.72Å; Y975-F985 HydrophobicContact CD1-CZ 4.26Å; Y975-F985 AromaticContact CE1-CE1 3.84Å; Y975-F985 HydrophobicContact CE1-CE1 3.84Å; F985-Y987 HydrophobicContact CB-CE2 4.01Å; F985-Y987 WeakPolarHBondContact O-CE2 3.36Å; F985-I1014 HydrophobicContact CD2-CD1 4.39Å; F985-I1014 HydrophobicContact CE2-CD1 3.72Å; F985-I1014 HydrophobicContact CZ-CD1 4.41Å; F985-I1087 HydrophobicContact CD2-CG2 4.23Å; F985-I1087 HydrophobicContact CE2-CG2 4.2Å; F985-I1088 PolarHBondContact N-O 2.99Å; F985-L1090 HydrophobicContact CE2-CB 4.05Å; F985-L1090 HydrophobicContact CZ-CB 3.93Å; F985-I1106 HydrophobicContact CB-CD1 4.23Å; F985-I1106 HydrophobicContact CD1-CD1 3.4Å; F985-I1106 HydrophobicContact CD1-CG1 4.3Å; F985-I1106 HydrophobicContact CD2-CD1 4.26Å; F985-I1106 HydrophobicContact CD2-CG1 4.44Å; F985-I1106 HydrophobicContact CD2-CG2 4.44Å; F985-I1106 HydrophobicContact CE1-CD1 3.74Å; F985-I1106 HydrophobicContact CE1-CG1 4.35Å; F985-I1106 HydrophobicContact CE2-CG1 4.49Å; F985-I1106 HydrophobicContact CG-CD1 3.7Å; F985-I1106 HydrophobicContact CG-CG1 4.35Å; F985-I1106 HydrophobicContact CZ-CD1 4.31Å; F985-I1106 HydrophobicContact CZ-CG1 4.45Å
986A92.1Very high84.4Confident43 Ų4369.4 Ų69.436%0.35537%0.371SS..PPolyproline II helixtrans-98.3161.6172.400000111.1A952 N953A952-A986 CarbonylContact C-O 3.6Å; A952-A986 WeakPolarHBondContact CA-O 3.34Å; N953-A986 PolarHBondContact N-O 2.84Å
987Y92.2Very high84.1Confident16 Ų1673 Ų736%0.06339%0.385CS..BIsolated β-bridgetrans-135.2147.5-173.5-66.4-92.8000110.2A952 F985 A996 Q1012 P1086 I1087 I1106 V1109A952-Y987 HydrophobicContact CB-CD1 3.95Å; A952-Y987 HydrophobicContact CB-CE1 3.6Å; F985-Y987 HydrophobicContact CB-CE2 4.01Å; F985-Y987 WeakPolarHBondContact O-CE2 3.36Å; Y987-A996 WeakPolarHBondContact O-CB 3.3Å; Y987-Q1012 PolarHBondContact OH-NE2 3.38Å; Y987-P1086 HydrophobicContact CD1-CB 4.36Å; Y987-P1086 HydrophobicContact CD2-CB 4Å; Y987-P1086 HydrophobicContact CD2-CG 3.62Å; Y987-P1086 HydrophobicContact CE1-CB 3.91Å; Y987-P1086 HydrophobicContact CE2-CB 3.51Å; Y987-P1086 HydrophobicContact CE2-CG 3.53Å; Y987-P1086 HydrophobicContact CG-CB 4.43Å; Y987-P1086 HydrophobicContact CG-CG 4.23Å; Y987-P1086 VanDerWaalsContact CZ-CB 3.48Å; Y987-I1087 WeakPolarHBondContact CE2-O 3.4Å; Y987-I1087 PolarHBondContact OH-O 2.77Å; Y987-I1106 HydrophobicContact CE1-CG2 4.4Å; Y987-I1106 WeakPolarHBondContact OH-CG2 3.24Å; Y987-V1109 HydrophobicContact CD1-CG1 3.97Å; Y987-V1109 HydrophobicContact CE1-CG1 4.23Å
988G87.3Confident84.1Confident14 Ų1471.1 Ų71.114%0.14438%0.378CS..SBendtrans85.4-168.5-176.500000114.8S951 N953S951-G988 PolarHBondContact O-N 2.93Å; N953-G988 VanDerWaalsContact CB-O 3.23Å; N953-G988 WeakPolarHBondContact CB-O 3.43Å; N953-G988 PolarHBondContact ND2-O 2.91Å
989D80.2Confident84.2Confident74 Ų7467.6 Ų67.640%0.39636%0.359SS..  trans-76.8154.5-175.9-165.58.1000112.3Q991D989-Q991 PolarHBondContact O-N 2.79Å; D989-Q991 VanDerWaalsContact O-N 3.07Å; D989-Q991 PolarHBondContact OD2-NE2 3.08Å
990H64.4Low84.2Confident145 Ų14567.5 Ų67.567%0.67136%0.358SS*.THydrogen-bonded Turntrans-61.2-17.5-177-77.2-61.1000114.8N953 S992N953-H990 PolarHBondContact ND2-CD2 3.33Å; N953-H990 PolarHBondContact ND2-CE1 2.76Å; N953-H990 PolarHBondContact ND2-ND1 3.22Å; N953-H990 PolarHBondContact ND2-NE2 3.13Å; N953-H990 PolarHBondContact OD1-CE1 3.2Å; N953-H990 PolarHBondContact OD1-NE2 3.05Å; H990-S992 PolarHBondContact O-N 3.1Å
991Q63.8Low84.5Confident150 Ų15064 Ų6470%0.70134%0.342SS*.THydrogen-bonded Turntrans-70.3-32.3-166.7-55.9-173.818.800112.6D989D989-Q991 PolarHBondContact O-N 2.79Å; D989-Q991 VanDerWaalsContact O-N 3.07Å; D989-Q991 PolarHBondContact OD2-NE2 3.08Å
992S66.5Low84.9Confident47 Ų4757.1 Ų57.133%0.32932%0.318SS..  trans-164.297.7177.246.20000113.1H990 N994 T995 A996H990-S992 PolarHBondContact O-N 3.1Å; S992-N994 PolarHBondContact O-N 3.5Å; S992-T995 WeakPolarHBondContact CB-OG1 3.42Å; S992-T995 WeakPolarHBondContact O-CB 3.4Å; S992-T995 PolarHBondContact O-N 3.27Å; S992-T995 WeakPolarHBondContact OG-CB 3.37Å; S992-T995 PolarHBondContact OG-OG1 3.28Å; S992-A996 PolarHBondContact O-N 3.23Å
993P70.6Confident85.2Confident69 Ų6956.2 Ų56.245%0.44831%0.309SS..Hα-helixtrans-61-29.7177.324.2-33.7000112.7T995 A996 I997P993-T995 VanDerWaalsContact C-N 3.3Å; P993-T995 PolarHBondContact O-N 3.05Å; P993-A996 PolarHBondContact O-N 3.21Å; P993-I997 WeakPolarHBondContact O-CG1 3.44Å; P993-I997 PolarHBondContact O-N 3.06Å
994N79.8Confident85.4Confident121 Ų12155.7 Ų55.765%0.64730%0.298SS*.Hα-helixtrans-63.4-34174.7-63.8-11000112.5S992 T998S992-N994 PolarHBondContact O-N 3.5Å; N994-T998 PolarHBondContact O-N 2.61Å; N994-T998 PolarHBondContact O-OG1 3.01Å
995T83.7Confident85.4Confident27 Ų2758 Ų5817%0.16631%0.312CS..Hα-helixtrans-66.4-47.3174.6-64.10000110.6D935 S992 P993 I997 T998 Q999D935-T995 HydrophobicContact CB-CG2 3.62Å; D935-T995 WeakPolarHBondContact O-CG2 3.4Å; S992-T995 WeakPolarHBondContact CB-OG1 3.42Å; S992-T995 WeakPolarHBondContact O-CB 3.4Å; S992-T995 PolarHBondContact O-N 3.27Å; S992-T995 WeakPolarHBondContact OG-CB 3.37Å; S992-T995 PolarHBondContact OG-OG1 3.28Å; P993-T995 VanDerWaalsContact C-N 3.3Å; P993-T995 PolarHBondContact O-N 3.05Å; T995-I997 VanDerWaalsContact C-N 3.32Å; T995-I997 PolarHBondContact O-N 3.3Å; T995-T998 WeakPolarHBondContact O-CB 3.22Å; T995-T998 PolarHBondContact O-N 2.87Å; T995-T998 VanDerWaalsContact O-N 3.1Å; T995-Q999 HydrophobicContact CG2-CG 4.19Å; T995-Q999 WeakPolarHBondContact O-CG 3.09Å; T995-Q999 PolarHBondContact O-N 3.13Å
996A84.3Confident85.5Confident5 Ų560 Ų604%0.04132%0.323CS..Hα-helixtrans-61-39.7177.600000112.2Y987 S992 P993 M1000Y987-A996 WeakPolarHBondContact O-CB 3.3Å; S992-A996 PolarHBondContact O-N 3.23Å; P993-A996 PolarHBondContact O-N 3.21Å; A996-M1000 WeakPolarHBondContact O-CB 3.09Å; A996-M1000 PolarHBondContact O-N 3.44Å
997I87.7Confident85.7Confident93 Ų9358.7 Ų58.748%0.47731%0.312SS..Hα-helixtrans-61.8-41.7173.3-69.4160000111.6P993 T995 T1001P993-I997 WeakPolarHBondContact O-CG1 3.44Å; P993-I997 PolarHBondContact O-N 3.06Å; T995-I997 VanDerWaalsContact C-N 3.32Å; T995-I997 PolarHBondContact O-N 3.3Å; I997-T1001 WeakPolarHBondContact O-CB 3.16Å; I997-T1001 PolarHBondContact O-N 2.99Å; I997-T1001 VanDerWaalsContact O-N 3.1Å; I997-T1001 PolarHBondContact O-OG1 3.44Å
998T90.4Very high85.8Confident61 Ų6166.1 Ų66.137%0.37434%0.344SS..Hα-helixtrans-65-55.6176.3-60.60000111.2N994 T995 M1000 T1001 F1002N994-T998 PolarHBondContact O-N 2.61Å; N994-T998 PolarHBondContact O-OG1 3.01Å; T995-T998 WeakPolarHBondContact O-CB 3.22Å; T995-T998 PolarHBondContact O-N 2.87Å; T995-T998 VanDerWaalsContact O-N 3.1Å; T998-M1000 VanDerWaalsContact C-N 3.31Å; T998-M1000 PolarHBondContact O-N 3.35Å; T998-T1001 WeakPolarHBondContact O-CA 3.44Å; T998-T1001 VanDerWaalsContact O-CB 3.29Å; T998-T1001 WeakPolarHBondContact O-CB 3.41Å; T998-T1001 PolarHBondContact O-N 2.03Å; T998-F1002 HydrophobicContact CG2-CD2 4.48Å; T998-F1002 HydrophobicContact CG2-CE2 4.31Å; T998-F1002 WeakPolarHBondContact O-CD2 3.32Å; T998-F1002 PolarHBondContact O-N 2.9Å
999Q91.8Very high86.3Confident0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-59.6-40.1-178.6-70-71.719.700112.1D927 P928 N929 D935 I937 T995 T1001 F1002 L1003D927-Q999 PolarHBondContact OD1-NE2 2.77Å; P928-Q999 HydrophobicContact CG-CB 4.46Å; N929-Q999 VanDerWaalsContact CG-NE2 3.26Å; N929-Q999 PolarHBondContact ND2-NE2 2.6Å; N929-Q999 PolarHBondContact OD1-NE2 3.41Å; N929-Q999 PolarHBondContact OD1-OE1 2.85Å; D935-Q999 PolarHBondContact O-NE2 3.19Å; D935-Q999 PolarHBondContact OD1-NE2 3.47Å; I937-Q999 HydrophobicContact CD1-CB 3.85Å; I937-Q999 HydrophobicContact CG1-CB 4.14Å; I937-Q999 HydrophobicContact CG1-CG 4.41Å; I937-Q999 HydrophobicContact CG2-CB 4.23Å; I937-Q999 HydrophobicContact CG2-CG 4.11Å; T995-Q999 HydrophobicContact CG2-CG 4.19Å; T995-Q999 WeakPolarHBondContact O-CG 3.09Å; T995-Q999 PolarHBondContact O-N 3.13Å; Q999-T1001 VanDerWaalsContact C-N 3.28Å; Q999-T1001 PolarHBondContact O-N 2.92Å; Q999-F1002 PolarHBondContact O-N 2.74Å; Q999-F1002 VanDerWaalsContact O-N 3.14Å; Q999-L1003 PolarHBondContact O-N 2.92Å
1000M92.2Very high87.1Confident8 Ų864.1 Ų64.14%0.03933%0.329CS..Hα-helixtrans-67.6-25.3174-171.4167.360.300113.4I950 A996 T998 L1003 R1004 P1086 V1109 F1111I950-M1000 HydrophobicContact CD1-CB 4.16Å; I950-M1000 HydrophobicContact CD1-CG 4.12Å; I950-M1000 HydrophobicContact CD1-SD 4.15Å; A996-M1000 WeakPolarHBondContact O-CB 3.09Å; A996-M1000 PolarHBondContact O-N 3.44Å; T998-M1000 VanDerWaalsContact C-N 3.31Å; T998-M1000 PolarHBondContact O-N 3.35Å; M1000-L1003 PolarHBondContact O-N 2.99Å; M1000-R1004 VanDerWaalsContact O-CG 3.27Å; M1000-R1004 WeakPolarHBondContact O-CG 3.24Å; M1000-R1004 PolarHBondContact O-N 2.71Å; M1000-R1004 VanDerWaalsContact O-N 3.08Å; M1000-P1086 VanDerWaalsContact CE-CD 3.47Å; M1000-P1086 HydrophobicContact CE-CG 3.72Å; M1000-P1086 WeakPolarHBondContact SD-CD 3.48Å; M1000-P1086 HydrophobicContact SD-CG 3.85Å; M1000-V1109 HydrophobicContact SD-CG1 4.17Å; M1000-F1111 HydrophobicContact CG-CE2 3.8Å; M1000-F1111 HydrophobicContact CG-CZ 3.6Å; M1000-F1111 HydrophobicContact SD-CE2 4.11Å; M1000-F1111 HydrophobicContact SD-CZ 4.01Å
1001T93.4Very high88.6Confident61 Ų6158 Ų5837%0.37430%0.303SS..Hα-helixtrans-71-32.3171.6-60.30000111.8I997 T998 Q999I997-T1001 WeakPolarHBondContact O-CB 3.16Å; I997-T1001 PolarHBondContact O-N 2.99Å; I997-T1001 VanDerWaalsContact O-N 3.1Å; I997-T1001 PolarHBondContact O-OG1 3.44Å; T998-T1001 WeakPolarHBondContact O-CA 3.44Å; T998-T1001 VanDerWaalsContact O-CB 3.29Å; T998-T1001 WeakPolarHBondContact O-CB 3.41Å; T998-T1001 PolarHBondContact O-N 2.03Å; Q999-T1001 VanDerWaalsContact C-N 3.28Å; Q999-T1001 PolarHBondContact O-N 2.92Å
1002F95.2Very high90.2Very high82 Ų8251 Ų5136%0.3627%0.27SS..Hα-helixtrans-74.4-37.9170.7-79-99000112.3P928 N929 T998 Q999 R1004 L1005 L1006P928-F1002 HydrophobicContact CB-CB 3.69Å; N929-F1002 HydrophobicContact CB-CB 4.38Å; N929-F1002 HydrophobicContact CB-CD1 4.15Å; N929-F1002 HydrophobicContact CB-CD2 3.43Å; N929-F1002 VanDerWaalsContact CB-CD2 3.43Å; N929-F1002 HydrophobicContact CB-CE1 4.26Å; N929-F1002 HydrophobicContact CB-CE2 3.59Å; N929-F1002 HydrophobicContact CB-CG 3.73Å; N929-F1002 HydrophobicContact CB-CZ 4Å; T998-F1002 HydrophobicContact CG2-CD2 4.48Å; T998-F1002 HydrophobicContact CG2-CE2 4.31Å; T998-F1002 WeakPolarHBondContact O-CD2 3.32Å; T998-F1002 PolarHBondContact O-N 2.9Å; Q999-F1002 PolarHBondContact O-N 2.74Å; Q999-F1002 VanDerWaalsContact O-N 3.14Å; F1002-R1004 VanDerWaalsContact C-N 3.29Å; F1002-R1004 PolarHBondContact O-N 3.15Å; F1002-L1005 WeakPolarHBondContact O-CA 3.32Å; F1002-L1005 WeakPolarHBondContact O-CB 3.34Å; F1002-L1005 PolarHBondContact O-N 3.39Å; F1002-L1006 WeakPolarHBondContact O-CG 3.47Å; F1002-L1006 PolarHBondContact O-N 2.85Å
1003L95.3Very high91.7Very high0 Ų051.8 Ų51.80%027%0.27CS..Hα-helixtrans-58.6-39.9172-76163.9000112.6T908 I926 P928 I937 T948 I950 Q999 M1000 L1005 L1006 S1007 F1111T908-L1003 HydrophobicContact CG2-CD2 3.86Å; I926-L1003 HydrophobicContact CD1-CD1 4.18Å; I926-L1003 HydrophobicContact CD1-CD2 4.17Å; P928-L1003 HydrophobicContact CB-CD2 4.38Å; P928-L1003 HydrophobicContact CB-CG 3.99Å; P928-L1003 HydrophobicContact CG-CD1 3.93Å; P928-L1003 HydrophobicContact CG-CD2 3.88Å; P928-L1003 HydrophobicContact CG-CG 3.56Å; I937-L1003 HydrophobicContact CD1-CD1 4.29Å; T948-L1003 HydrophobicContact CG2-CD1 3.88Å; T948-L1003 HydrophobicContact CG2-CD2 3.82Å; I950-L1003 HydrophobicContact CD1-CD1 3.8Å; I950-L1003 HydrophobicContact CG1-CD1 4.46Å; Q999-L1003 PolarHBondContact O-N 2.92Å; M1000-L1003 PolarHBondContact O-N 2.99Å; L1003-L1005 PolarHBondContact O-N 2.91Å; L1003-L1005 VanDerWaalsContact O-N 3.12Å; L1003-L1006 PolarHBondContact O-N 3.01Å; L1003-S1007 WeakPolarHBondContact O-CB 3.22Å; L1003-S1007 PolarHBondContact O-N 3.47Å; L1003-F1111 HydrophobicContact CB-CD2 4.4Å; L1003-F1111 HydrophobicContact CB-CG 4.36Å; L1003-F1111 HydrophobicContact CD1-CD2 4.45Å
1004R94.9Very high92.9Very high49 Ų4948.5 Ų48.519%0.18525%0.249CC..Hα-helixtrans-61.3-14.1171.5-72.5167.7178.8156.7-6.9114.9M1000 F1002 A1041 V1082 L1085 F1111M1000-R1004 VanDerWaalsContact O-CG 3.27Å; M1000-R1004 WeakPolarHBondContact O-CG 3.24Å; M1000-R1004 PolarHBondContact O-N 2.71Å; M1000-R1004 VanDerWaalsContact O-N 3.08Å; F1002-R1004 VanDerWaalsContact C-N 3.29Å; F1002-R1004 PolarHBondContact O-N 3.15Å; R1004-A1041 VanDerWaalsContact NH2-CB 3.29Å; R1004-V1082 HydrophobicContact CB-CB 4.49Å; R1004-V1082 HydrophobicContact CB-CG2 3.76Å; R1004-V1082 HydrophobicContact CG-CB 4.19Å; R1004-V1082 HydrophobicContact CG-CG2 3.96Å; R1004-V1082 VanDerWaalsContact O-CG2 3.24Å; R1004-V1082 WeakPolarHBondContact O-CG2 3.33Å; R1004-L1085 PolarHBondContact NE-O 3.35Å; R1004-L1085 PolarHBondContact NH2-O 2.85Å; R1004-F1111 HydrophobicContact CG-CE1 3.92Å
1005L94.3Very high93.8Very high137 Ų13743.5 Ų43.572%0.71722%0.223SC*.Hα-helixtrans-98.1-16.2173.7-63.7172.9000112.8F1002 L1003F1002-L1005 WeakPolarHBondContact O-CA 3.32Å; F1002-L1005 WeakPolarHBondContact O-CB 3.34Å; F1002-L1005 PolarHBondContact O-N 3.39Å; L1003-L1005 PolarHBondContact O-N 2.91Å; L1003-L1005 VanDerWaalsContact O-N 3.12Å
1006L95.1Very high94.5Very high58 Ų5842.2 Ų42.230%0.30422%0.215SC..Hα-helixtrans-100.4-28.8-177.7-61.6172.3000112.2R907 T908 P928 F1002 L1003R907-L1006 HydrophobicContact CG-CD1 4.05Å; T908-L1006 HydrophobicContact CG2-CB 4.16Å; T908-L1006 HydrophobicContact CG2-CD1 3.59Å; T908-L1006 HydrophobicContact CG2-CG 4.48Å; P928-L1006 HydrophobicContact CB-CD1 4.4Å; F1002-L1006 WeakPolarHBondContact O-CG 3.47Å; F1002-L1006 PolarHBondContact O-N 2.85Å; L1003-L1006 PolarHBondContact O-N 3.01Å
1007S96.1Very high95.1Very high16 Ų1643.7 Ų43.711%0.11222%0.222CC..  trans-99.5148.7-178.9-66.70000113.7L1003 F1111 V1112L1003-S1007 WeakPolarHBondContact O-CB 3.22Å; L1003-S1007 PolarHBondContact O-N 3.47Å; S1007-F1111 WeakPolarHBondContact OG-CB 3.46Å; S1007-V1112 CarbonylContact C-O 3.56Å; S1007-V1112 WeakPolarHBondContact CA-OXT 3.23Å; S1007-V1112 VanDerWaalsContact CB-C 3.43Å; S1007-V1112 WeakPolarHBondContact CB-O 3.45Å; S1007-V1112 PolarHBondContact OG-N 2.89Å
1008K95.7Very high95.5Very high172 Ų17239.5 Ų39.575%0.74820%0.201SC*.SBendtrans-95.1-23.4-179.1-63.8156.1-169.5145.60112.3Q1080 V1112K1008-Q1080 WeakPolarHBondContact O-CA 3.39Å; K1008-V1112 CarbonylContact C-O 3.58Å; K1008-V1112 PolarHBondContact N-O 3.18Å
1009E96.2Very high95.8Very high44 Ų4439.2 Ų39.221%0.20619%0.194CC..  trans-143152.5-177.2-171.6160.2-143.500110.9R1078 V1082 V1112E1009-R1078 HydrophobicContact CG-CG 4.15Å; E1009-R1078 VanDerWaalsContact OE1-CG 3.24Å; E1009-R1078 WeakPolarHBondContact OE1-CG 3.46Å; E1009-R1078 IonicContact OE1-CZ 3.87Å; E1009-R1078 IonicContact OE1-NE 2.93Å; E1009-R1078 PolarHBondContact OE1-NE 3.34Å; E1009-R1078 IonicContact OE1-NH2 3.92Å; E1009-R1078 IonicContact OE2-CZ 3.34Å; E1009-R1078 IonicContact OE2-NE 3.17Å; E1009-R1078 PolarHBondContact OE2-NE 3.14Å; E1009-R1078 IonicContact OE2-NH2 2.7Å; E1009-R1078 PolarHBondContact OE2-NH2 3.01Å; E1009-V1082 VanDerWaalsContact C-CG1 3.45Å; E1009-V1112 HydrophobicContact CB-CG1 4.28Å; E1009-V1112 PolarHBondContact N-O 3.46Å; E1009-V1112 PolarHBondContact O-N 3.31Å
1010A96.9Very high95.9Very high1 Ų140.4 Ų40.41%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-136.2145.1172.600000110.2R1078 T1079 V1082 L1085 C1110 F1111A1010-R1078 CarbonylContact O-C 3.5Å; A1010-R1078 WeakPolarHBondContact O-CA 3.37Å; A1010-T1079 PolarHBondContact N-O 2.79Å; A1010-T1079 PolarHBondContact O-N 2.59Å; A1010-V1082 HydrophobicContact CB-CB 4.1Å; A1010-V1082 HydrophobicContact CB-CG1 3.79Å; A1010-L1085 HydrophobicContact CB-CB 4.2Å; A1010-L1085 HydrophobicContact CB-CD1 3.73Å; A1010-L1085 WeakPolarHBondContact O-CD1 3.43Å; A1010-C1110 CarbonylContact C-O 3.59Å; A1010-C1110 WeakPolarHBondContact CA-O 3.29Å; A1010-F1111 HydrophobicContact CB-CD1 3.65Å; A1010-F1111 HydrophobicContact CB-CE1 3.81Å; A1010-F1111 HydrophobicContact CB-CG 4.48Å
1011S97Very high96Very high17 Ų1740 Ų4012%0.11920%0.199CC..EExtended strand (participates in β ladder)trans-130.8148.4176.956.10000110.4Y1077 C1110S1011-Y1077 CarbonylContact C-O 3.4Å; S1011-Y1077 WeakPolarHBondContact CA-O 3.43Å; S1011-C1110 PolarHBondContact N-O 3.38Å; S1011-C1110 PolarHBondContact O-N 3.42Å
1012Q97.8Very high96.1Very high2 Ų237.2 Ų37.21%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-152.1139.7169.1-173.2170.616.200111.2Y987 Y1077 L1085 I1087 G1107 V1109Y987-Q1012 PolarHBondContact OH-NE2 3.38Å; Q1012-Y1077 PolarHBondContact N-O 3.1Å; Q1012-Y1077 PolarHBondContact O-N 2.87Å; Q1012-L1085 HydrophobicContact CB-CD1 4.27Å; Q1012-L1085 HydrophobicContact CB-CD2 3.78Å; Q1012-I1087 HydrophobicContact CB-CD1 4.4Å; Q1012-I1087 HydrophobicContact CG-CD1 4.19Å; Q1012-G1107 PolarHBondContact NE2-O 3.41Å; Q1012-V1109 HydrophobicContact CB-CB 4.41Å; Q1012-V1109 HydrophobicContact CB-CG2 4.49Å; Q1012-V1109 HydrophobicContact CG-CB 4.4Å
1013N96.8Very high96Very high64 Ų6433.3 Ų33.334%0.34217%0.165SC..EExtended strand (participates in β ladder)trans-107.9144.6174.7-63.9-4.8000110.7F1075 E1076 G1107N1013-F1075 CarbonylContact C-O 3.58Å; N1013-F1075 VanDerWaalsContact CA-O 3.25Å; N1013-F1075 WeakPolarHBondContact CA-O 3.35Å; N1013-E1076 WeakPolarHBondContact OD1-CB 3.29Å; N1013-E1076 WeakPolarHBondContact OD1-CG 3.41Å; N1013-G1107 WeakPolarHBondContact O-CA 3.34Å; N1013-G1107 PolarHBondContact O-N 3.3Å
1014I97.2Very high96.1Very high1 Ų135.8 Ų35.81%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-143.5126.4177-168.8161.8000110.1F985 L1038 F1075 I1087 L1090 V1104 I1106F985-I1014 HydrophobicContact CD2-CD1 4.39Å; F985-I1014 HydrophobicContact CE2-CD1 3.72Å; F985-I1014 HydrophobicContact CZ-CD1 4.41Å; I1014-L1038 HydrophobicContact CG2-CD1 3.85Å; I1014-L1038 HydrophobicContact CG2-CD2 3.9Å; I1014-F1075 HydrophobicContact CG2-CB 3.87Å; I1014-F1075 HydrophobicContact CG2-CD2 4.19Å; I1014-F1075 HydrophobicContact CG2-CG 4.48Å; I1014-F1075 PolarHBondContact N-O 2.85Å; I1014-F1075 PolarHBondContact O-N 3.46Å; I1014-I1087 HydrophobicContact CB-CD1 4.2Å; I1014-I1087 HydrophobicContact CD1-CD1 4.49Å; I1014-I1087 HydrophobicContact CD1-CG2 4.14Å; I1014-I1087 HydrophobicContact CG2-CD1 3.8Å; I1014-L1090 HydrophobicContact CD1-CD1 3.9Å; I1014-L1090 HydrophobicContact CG1-CD1 4.25Å; I1014-V1104 HydrophobicContact CD1-CG1 3.76Å; I1014-V1104 HydrophobicContact CG1-CG1 3.55Å; I1014-I1106 HydrophobicContact CD1-CG1 4.43Å
1015T97.9Very high96.1Very high16 Ų1636.7 Ų36.710%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-93.6122.4176.9-52.60000109.4I1017 K1072 T1073 V1074 V1104 E1105T1015-I1017 HydrophobicContact CG2-CG1 4.11Å; T1015-K1072 HydrophobicContact CG2-CB 3.71Å; T1015-K1072 HydrophobicContact CG2-CD 3.82Å; T1015-K1072 HydrophobicContact CG2-CG 4.26Å; T1015-T1073 CarbonylContact C-O 3.59Å; T1015-T1073 WeakPolarHBondContact CA-O 3.48Å; T1015-V1074 HydrophobicContact CG2-CG2 4.19Å; T1015-V1104 CarbonylContact O-C 3.54Å; T1015-V1104 VanDerWaalsContact O-CA 3.24Å; T1015-V1104 WeakPolarHBondContact O-CA 3.3Å; T1015-V1104 WeakPolarHBondContact O-CG1 3.34Å; T1015-E1105 WeakPolarHBondContact CB-OE2 3.35Å; T1015-E1105 HydrophobicContact CG2-CG 4.33Å; T1015-E1105 WeakPolarHBondContact CG2-OE2 3.3Å; T1015-E1105 PolarHBondContact N-O 3.13Å; T1015-E1105 PolarHBondContact O-N 3.22Å; T1015-E1105 PolarHBondContact OG1-OE2 3.33Å
1016Y97.9Very high96.1Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans-91.1112.9162.6-178.3-106.7000109.2C1018 S1021 V1036 K1072 T1073 L1090 P1092 F1102Y1016-C1018 HydrophobicContact CD1-CB 4.08Å; Y1016-C1018 HydrophobicContact CE1-CB 3.77Å; Y1016-S1021 PolarHBondContact OH-OG 2.88Å; Y1016-V1036 HydrophobicContact CD1-CG2 4.04Å; Y1016-V1036 HydrophobicContact CD2-CG2 4.04Å; Y1016-V1036 HydrophobicContact CE1-CG2 4.16Å; Y1016-V1036 HydrophobicContact CE2-CG2 4.15Å; Y1016-V1036 HydrophobicContact CG-CG2 3.98Å; Y1016-K1072 CarbonylContact O-C 3.5Å; Y1016-K1072 VanDerWaalsContact O-CA 3.24Å; Y1016-K1072 WeakPolarHBondContact O-CA 3.48Å; Y1016-T1073 PolarHBondContact N-O 2.87Å; Y1016-T1073 PolarHBondContact O-N 3.04Å; Y1016-L1090 HydrophobicContact CD2-CD2 4Å; Y1016-L1090 HydrophobicContact CE2-CD2 4.21Å; Y1016-P1092 HydrophobicContact CE2-CB 3.87Å; Y1016-P1092 HydrophobicContact CE2-CG 4.3Å; Y1016-P1092 WeakPolarHBondContact OH-CB 3.49Å; Y1016-F1102 HydrophobicContact CD2-CB 4.44Å; Y1016-F1102 HydrophobicContact CD2-CD2 4.19Å; Y1016-F1102 HydrophobicContact CE1-CB 4.42Å; Y1016-F1102 HydrophobicContact CE2-CB 3.54Å; Y1016-F1102 HydrophobicContact CE2-CD1 4.4Å; Y1016-F1102 AromaticContact CE2-CD2 3.51Å; Y1016-F1102 HydrophobicContact CE2-CD2 3.51Å; Y1016-F1102 HydrophobicContact CE2-CE2 4.3Å; Y1016-F1102 AromaticContact CE2-CG 3.58Å; Y1016-F1102 HydrophobicContact CE2-CG 3.58Å; Y1016-F1102 AromaticContact CZ-CG 3.94Å; Y1016-F1102 VanDerWaalsContact OH-CB 3.32Å; Y1016-F1102 WeakPolarHBondContact OH-CB 3.42Å
1017I97.5Very high95.9Very high36 Ų3630 Ų3019%0.18515%0.146CC..EExtended strand (participates in β ladder)trans-89.3125.6173.6-48.5176.2000107.7R959 T1015 V1070 G1071 F1102 G1103 E1105R959-I1017 HydrophobicContact CG-CG2 4.35Å; T1015-I1017 HydrophobicContact CG2-CG1 4.11Å; I1017-V1070 HydrophobicContact CG2-CG1 3.67Å; I1017-G1071 WeakPolarHBondContact CG2-O 3.46Å; I1017-F1102 CarbonylContact O-C 3.49Å; I1017-F1102 WeakPolarHBondContact O-CA 3.48Å; I1017-F1102 WeakPolarHBondContact O-CB 3.4Å; I1017-G1103 PolarHBondContact N-O 3.47Å; I1017-G1103 PolarHBondContact O-N 3.41Å; I1017-E1105 HydrophobicContact CD1-CG 3.78Å; I1017-E1105 HydrophobicContact CG1-CG 4.17Å
1018C96Very high95.6Very high4 Ų437.2 Ų37.23%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-121157.2-173.265.80000112.5Y1016 S1021 C1063 V1070 G1071 E1101Y1016-C1018 HydrophobicContact CD1-CB 4.08Å; Y1016-C1018 HydrophobicContact CE1-CB 3.77Å; C1018-S1021 WeakPolarHBondContact CB-O 3.37Å; C1018-C1063 HydrophobicContact CB-CB 3.83Å; C1018-C1063 WeakPolarHBondContact CB-SG 3.32Å; C1018-C1063 VanDerWaalsContact SG-CA 3.5Å; C1018-C1063 WeakPolarHBondContact SG-CB 3.02Å; C1018-C1063 CovalentContact SG-SG 2.02Å; C1018-C1063 PolarHBondContact SG-SG 3.03Å; C1018-V1070 CarbonylContact O-C 3.49Å; C1018-V1070 VanDerWaalsContact O-CA 3.31Å; C1018-V1070 WeakPolarHBondContact O-CA 3.15Å; C1018-G1071 PolarHBondContact N-O 2.8Å; C1018-G1071 PolarHBondContact O-N 2.78Å; C1018-G1071 PolarHBondContact SG-O 2.93Å; C1018-E1101 CarbonylContact C-O 3.6Å
1019K96.4Very high95.3Very high55 Ų5531.5 Ų31.524%0.23916%0.164CC..EExtended strand (participates in β ladder)trans-148.5124.9157.5174.3-173.9163.6-161.20107.4S1021 G1068 V1070 E1101K1019-S1021 PolarHBondContact O-N 2.82Å; K1019-G1068 WeakPolarHBondContact CE-O 3.27Å; K1019-V1070 HydrophobicContact CB-CG2 4.44Å; K1019-E1101 HydrophobicContact CB-CB 4.26Å; K1019-E1101 WeakPolarHBondContact CD-OE1 3.25Å; K1019-E1101 WeakPolarHBondContact CE-OE1 3.5Å; K1019-E1101 PolarHBondContact N-O 2.94Å; K1019-E1101 IonicContact NZ-OE1 3.51Å; K1019-E1101 PolarHBondContact NZ-OE1 2.96Å; K1019-E1101 PolarHBondContact O-N 3.25Å
1020N94.3Very high95.2Very high25 Ų2536.1 Ų36.113%0.13418%0.183CC..SBendtrans53.419-172.5-70.1-6.7000116.1R1066 N1067 G1068 D1099 Q1100N1020-R1066 HydrophobicContact CB-CB 4.32Å; N1020-R1066 WeakPolarHBondContact O-CD 3.41Å; N1020-R1066 WeakPolarHBondContact O-CG 3.39Å; N1020-N1067 PolarHBondContact OD1-N 2.8Å; N1020-G1068 VanDerWaalsContact OD1-CA 3.31Å; N1020-G1068 WeakPolarHBondContact OD1-CA 3.36Å; N1020-G1068 PolarHBondContact OD1-N 3.34Å; N1020-D1099 WeakPolarHBondContact CB-OD2 3.43Å; N1020-D1099 PolarHBondContact ND2-OD2 3.15Å; N1020-Q1100 HydrophobicContact CB-CG 4.4Å; N1020-Q1100 WeakPolarHBondContact O-CG 3.05Å; N1020-Q1100 PolarHBondContact O-NE2 2.95Å
1021S94.8Very high95Very high1 Ų138.1 Ų38.11%0.00719%0.193CC..SBendtrans-119.3138.9173168.80000109.9Y1016 C1018 K1019 D1094Y1016-S1021 PolarHBondContact OH-OG 2.88Å; C1018-S1021 WeakPolarHBondContact CB-O 3.37Å; K1019-S1021 PolarHBondContact O-N 2.82Å; S1021-D1094 WeakPolarHBondContact CB-O 3.38Å; S1021-D1094 PolarHBondContact OG-O 2.76Å
1022V94.9Very high94.9Very high2 Ų238.5 Ų38.51%0.01219%0.194CC..  trans-79.5127171.8173.40000110.7D1026 K1034 C1063 D1094V1022-D1026 HydrophobicContact CG1-CB 4.32Å; V1022-K1034 HydrophobicContact CB-CB 4.07Å; V1022-K1034 HydrophobicContact CB-CD 4.13Å; V1022-K1034 HydrophobicContact CG1-CB 3.9Å; V1022-K1034 HydrophobicContact CG2-CD 4.16Å; V1022-C1063 VanDerWaalsContact CA-O 3.27Å; V1022-C1063 WeakPolarHBondContact CA-O 3.1Å; V1022-D1094 HydrophobicContact CB-CB 4.06Å; V1022-D1094 WeakPolarHBondContact CG2-OD2 3.26Å; V1022-D1094 PolarHBondContact N-OD2 3.23Å
1023G93.4Very high94.6Very high0 Ų046 Ų460%023%0.227CC..SBendtrans-87.4-45.2177.600000113.5A1035 V1036 C1063 F1075G1023-A1035 WeakPolarHBondContact O-CA 3.29Å; G1023-V1036 WeakPolarHBondContact O-CG2 3.24Å; G1023-V1036 PolarHBondContact O-N 2.92Å; G1023-C1063 PolarHBondContact N-O 3.49Å; G1023-F1075 WeakPolarHBondContact O-CZ 3.43Å
1024Y96.1Very high94.5Very high51 Ų5144.5 Ų44.520%0.222%0.217CC..SBendtrans-141.7-72.6-177.2175.3-109.1000112.9L1032 A1035 A1048 Y1056 V1058 F1075Y1024-L1032 HydrophobicContact CD1-CD2 3.81Å; Y1024-L1032 HydrophobicContact CD2-CD2 3.94Å; Y1024-L1032 HydrophobicContact CE1-CD2 3.58Å; Y1024-L1032 HydrophobicContact CE2-CD1 4.05Å; Y1024-L1032 HydrophobicContact CE2-CD2 3.74Å; Y1024-L1032 HydrophobicContact CE2-CG 4.43Å; Y1024-L1032 HydrophobicContact CG-CD2 3.99Å; Y1024-A1035 HydrophobicContact CD2-CB 3.92Å; Y1024-A1048 HydrophobicContact CD2-CB 3.89Å; Y1024-A1048 HydrophobicContact CE2-CB 3.54Å; Y1024-Y1056 AromaticContact CD2-CE2 3.8Å; Y1024-Y1056 HydrophobicContact CD2-CE2 3.8Å; Y1024-Y1056 AromaticContact CE2-CE2 3.81Å; Y1024-Y1056 HydrophobicContact CE2-CE2 3.81Å; Y1024-V1058 HydrophobicContact CD1-CB 4.4Å; Y1024-V1058 HydrophobicContact CD1-CG1 4.38Å; Y1024-V1058 HydrophobicContact CD1-CG2 3.93Å; Y1024-V1058 HydrophobicContact CD2-CG2 3.68Å; Y1024-V1058 HydrophobicContact CE1-CB 4.36Å; Y1024-V1058 HydrophobicContact CE1-CG2 3.98Å; Y1024-V1058 HydrophobicContact CE2-CG2 3.71Å; Y1024-V1058 HydrophobicContact CG-CG2 3.78Å; Y1024-F1075 HydrophobicContact CD2-CE1 4.33Å
1025M95.2Very high94.5Very high69 Ų6944.8 Ų44.834%0.3422%0.219SC..  trans-94.5116.5-177.2179.863.277.400111.7D1027 L1032 D1061 S1064M1025-D1027 PolarHBondContact O-N 2.93Å; M1025-L1032 HydrophobicContact CB-CD2 4.13Å; M1025-L1032 HydrophobicContact CE-CD2 3.61Å; M1025-L1032 HydrophobicContact CE-CG 4.22Å; M1025-L1032 HydrophobicContact SD-CD2 3.95Å; M1025-D1061 PolarHBondContact N-OD2 2.95Å; M1025-D1061 VanDerWaalsContact N-OD2 3.1Å; M1025-S1064 WeakPolarHBondContact O-CA 3.45Å; M1025-S1064 WeakPolarHBondContact O-CB 3.26Å
1026D94.1Very high94.4Very high6 Ų644 Ų443%0.03221%0.214CC..BIsolated β-bridgetrans-74111.5169.4-173.1-36000109.7V1022 Q1028 A1029 K1030 N1031 K1034V1022-D1026 HydrophobicContact CG1-CB 4.32Å; D1026-Q1028 VanDerWaalsContact C-N 3.31Å; D1026-Q1028 PolarHBondContact O-N 3.27Å; D1026-Q1028 WeakPolarHBondContact OD1-CA 3.32Å; D1026-Q1028 WeakPolarHBondContact OD1-CB 3.17Å; D1026-Q1028 PolarHBondContact OD1-N 3.12Å; D1026-A1029 HydrophobicContact CB-CB 4.07Å; D1026-A1029 PolarHBondContact OD1-N 2.91Å; D1026-K1030 VanDerWaalsContact O-CA 3.23Å; D1026-K1030 WeakPolarHBondContact O-CA 3.33Å; D1026-K1030 PolarHBondContact O-N 2.85Å; D1026-N1031 PolarHBondContact N-O 3.02Å; D1026-N1031 VanDerWaalsContact N-O 3.12Å; D1026-K1034 HydrophobicContact CB-CD 4.41Å; D1026-K1034 VanDerWaalsContact OD2-CD 3.32Å; D1026-K1034 WeakPolarHBondContact OD2-CD 3.02Å; D1026-K1034 VanDerWaalsContact OD2-CE 3.23Å; D1026-K1034 WeakPolarHBondContact OD2-CE 3Å; D1026-K1034 IonicContact OD2-NZ 3.4Å; D1026-K1034 PolarHBondContact OD2-NZ 3.35Å
1027D92.2Very high94.4Very high47 Ų4744.6 Ų44.625%0.25122%0.218SC..THydrogen-bonded Turntrans-70.8-23.4-179.1-17360.1000113.9M1025 K1030 S1064 K1065M1025-D1027 PolarHBondContact O-N 2.93Å; D1027-K1030 VanDerWaalsContact O-CD 3.3Å; D1027-K1030 WeakPolarHBondContact O-CD 3.27Å; D1027-K1030 WeakPolarHBondContact O-CE 3.45Å; D1027-K1030 PolarHBondContact O-NZ 2.91Å; D1027-K1030 VanDerWaalsContact O-NZ 3.14Å; D1027-K1030 IonicContact OD1-NZ 3.92Å; D1027-K1030 PolarHBondContact OD1-NZ 3.18Å; D1027-S1064 VanDerWaalsContact CB-O 3.27Å; D1027-S1064 WeakPolarHBondContact CB-O 3.24Å; D1027-S1064 PolarHBondContact N-O 3.17Å; D1027-K1065 HydrophobicContact CB-CD 4.26Å; D1027-K1065 HydrophobicContact CB-CG 3.9Å; D1027-K1065 WeakPolarHBondContact OD2-CE 3.45Å; D1027-K1065 IonicContact OD2-NZ 3.49Å; D1027-K1065 PolarHBondContact OD2-NZ 2.93Å
1028Q89.8Confident94.4Very high169 Ų16942.9 Ų42.979%0.7921%0.209SC*.THydrogen-bonded Turntrans-80.7-43.9176.3-63.2-176.6-26.600110.8D1026D1026-Q1028 VanDerWaalsContact C-N 3.31Å; D1026-Q1028 PolarHBondContact O-N 3.27Å; D1026-Q1028 WeakPolarHBondContact OD1-CA 3.32Å; D1026-Q1028 WeakPolarHBondContact OD1-CB 3.17Å; D1026-Q1028 PolarHBondContact OD1-N 3.12Å
1029A89.6Confident94.4Very high52 Ų5244 Ų4443%0.4321%0.214SC..THydrogen-bonded Turntrans-92.9-8-175.900000114D1026 N1031D1026-A1029 HydrophobicContact CB-CB 4.07Å; D1026-A1029 PolarHBondContact OD1-N 2.91Å; A1029-N1031 VanDerWaalsContact C-N 3.3Å; A1029-N1031 VanDerWaalsContact CB-ND2 3.26Å; A1029-N1031 WeakPolarHBondContact CB-ND2 3.47Å; A1029-N1031 PolarHBondContact O-N 3.35Å; A1029-N1031 PolarHBondContact O-ND2 2.92Å
1030K92.6Very high94.4Very high141 Ų14141.4 Ų41.461%0.61320%0.202SC*.THydrogen-bonded Turntrans50.841.6178.7-57.9-60.8-173.9-174.90114.1D1026 D1027D1026-K1030 VanDerWaalsContact O-CA 3.23Å; D1026-K1030 WeakPolarHBondContact O-CA 3.33Å; D1026-K1030 PolarHBondContact O-N 2.85Å; D1027-K1030 VanDerWaalsContact O-CD 3.3Å; D1027-K1030 WeakPolarHBondContact O-CD 3.27Å; D1027-K1030 WeakPolarHBondContact O-CE 3.45Å; D1027-K1030 PolarHBondContact O-NZ 2.91Å; D1027-K1030 VanDerWaalsContact O-NZ 3.14Å; D1027-K1030 IonicContact OD1-NZ 3.92Å; D1027-K1030 PolarHBondContact OD1-NZ 3.18Å
1031N93.4Very high94.3Very high42 Ų4241.7 Ų41.723%0.22521%0.208CC..BIsolated β-bridgetrans-152.1169.3179.669.979.3000112.5D1026 A1029 K1033D1026-N1031 PolarHBondContact N-O 3.02Å; D1026-N1031 VanDerWaalsContact N-O 3.12Å; A1029-N1031 VanDerWaalsContact C-N 3.3Å; A1029-N1031 VanDerWaalsContact CB-ND2 3.26Å; A1029-N1031 WeakPolarHBondContact CB-ND2 3.47Å; A1029-N1031 PolarHBondContact O-N 3.35Å; A1029-N1031 PolarHBondContact O-ND2 2.92Å; N1031-K1033 WeakPolarHBondContact OD1-CB 3.33Å; N1031-K1033 WeakPolarHBondContact OD1-CG 3.32Å; N1031-K1033 PolarHBondContact OD1-N 3.21Å
1032L94.9Very high94.1Very high25 Ų2544.4 Ų44.413%0.13122%0.223CC..SBendtrans-99.211.9-174.6-55.8174.3000113.6Y1024 M1025 K1034 A1035 A1048 E1049Y1024-L1032 HydrophobicContact CD1-CD2 3.81Å; Y1024-L1032 HydrophobicContact CD2-CD2 3.94Å; Y1024-L1032 HydrophobicContact CE1-CD2 3.58Å; Y1024-L1032 HydrophobicContact CE2-CD1 4.05Å; Y1024-L1032 HydrophobicContact CE2-CD2 3.74Å; Y1024-L1032 HydrophobicContact CE2-CG 4.43Å; Y1024-L1032 HydrophobicContact CG-CD2 3.99Å; M1025-L1032 HydrophobicContact CB-CD2 4.13Å; M1025-L1032 HydrophobicContact CE-CD2 3.61Å; M1025-L1032 HydrophobicContact CE-CG 4.22Å; M1025-L1032 HydrophobicContact SD-CD2 3.95Å; L1032-K1034 PolarHBondContact O-N 3.06Å; L1032-K1034 VanDerWaalsContact O-N 3.12Å; L1032-A1035 HydrophobicContact CB-CB 4.41Å; L1032-A1035 WeakPolarHBondContact O-CB 3.43Å; L1032-A1035 PolarHBondContact O-N 2.9Å; L1032-A1048 HydrophobicContact CB-CB 3.96Å; L1032-A1048 HydrophobicContact CD1-CB 4.17Å; L1032-E1049 HydrophobicContact CB-CG 3.97Å; L1032-E1049 HydrophobicContact CD1-CG 3.86Å; L1032-E1049 HydrophobicContact CG-CG 4.47Å
1033K92.7Very high94Very high161 Ų16149 Ų4970%0.725%0.247SC*.THydrogen-bonded Turntrans-67.4-14.4-175.1-63.2176.1-179.6-178.70114.3N1031N1031-K1033 WeakPolarHBondContact OD1-CB 3.33Å; N1031-K1033 WeakPolarHBondContact OD1-CG 3.32Å; N1031-K1033 PolarHBondContact OD1-N 3.21Å
1034K93.9Very high94Very high32 Ų3252.5 Ų52.514%0.13927%0.265CS..THydrogen-bonded Turntrans-98.80.4173.4-70.9-178.1-177.9168.90113.6V1022 D1026 L1032 D1094V1022-K1034 HydrophobicContact CB-CB 4.07Å; V1022-K1034 HydrophobicContact CB-CD 4.13Å; V1022-K1034 HydrophobicContact CG1-CB 3.9Å; V1022-K1034 HydrophobicContact CG2-CD 4.16Å; D1026-K1034 HydrophobicContact CB-CD 4.41Å; D1026-K1034 VanDerWaalsContact OD2-CD 3.32Å; D1026-K1034 WeakPolarHBondContact OD2-CD 3.02Å; D1026-K1034 VanDerWaalsContact OD2-CE 3.23Å; D1026-K1034 WeakPolarHBondContact OD2-CE 3Å; D1026-K1034 IonicContact OD2-NZ 3.4Å; D1026-K1034 PolarHBondContact OD2-NZ 3.35Å; L1032-K1034 PolarHBondContact O-N 3.06Å; L1032-K1034 VanDerWaalsContact O-N 3.12Å; K1034-D1094 HydrophobicContact CB-CB 4.37Å; K1034-D1094 HydrophobicContact CD-CB 4.13Å; K1034-D1094 HydrophobicContact CG-CB 4.48Å; K1034-D1094 IonicContact NZ-OD2 3.69Å
1035A96.1Very high94Very high6 Ų652.8 Ų52.85%0.0527%0.271CS..PPolyproline II helixtrans-63.6141.4-176.200000111.8G1023 Y1024 L1032 A1048 Y1056 V1093G1023-A1035 WeakPolarHBondContact O-CA 3.29Å; Y1024-A1035 HydrophobicContact CD2-CB 3.92Å; L1032-A1035 HydrophobicContact CB-CB 4.41Å; L1032-A1035 WeakPolarHBondContact O-CB 3.43Å; L1032-A1035 PolarHBondContact O-N 2.9Å; A1035-A1048 HydrophobicContact CB-CB 3.49Å; A1035-A1048 VanDerWaalsContact CB-CB 3.49Å; A1035-Y1056 WeakPolarHBondContact CB-OH 3.29Å; A1035-V1093 WeakPolarHBondContact O-CG2 3.22Å
1036V96.9Very high94.1Very high0 Ų049.6 Ų49.60%026%0.255CS..PPolyproline II helixtrans-56139.1176.4172.90000111Y1016 G1023 L1038 Y1056 F1075 L1090 P1092Y1016-V1036 HydrophobicContact CD1-CG2 4.04Å; Y1016-V1036 HydrophobicContact CD2-CG2 4.04Å; Y1016-V1036 HydrophobicContact CE1-CG2 4.16Å; Y1016-V1036 HydrophobicContact CE2-CG2 4.15Å; Y1016-V1036 HydrophobicContact CG-CG2 3.98Å; G1023-V1036 WeakPolarHBondContact O-CG2 3.24Å; G1023-V1036 PolarHBondContact O-N 2.92Å; V1036-L1038 HydrophobicContact CG1-CD2 3.99Å; V1036-Y1056 VanDerWaalsContact O-CE1 3.24Å; V1036-Y1056 WeakPolarHBondContact O-CE1 3.17Å; V1036-Y1056 PolarHBondContact O-OH 2.87Å; V1036-F1075 HydrophobicContact CB-CE2 4.11Å; V1036-F1075 HydrophobicContact CB-CZ 3.83Å; V1036-F1075 HydrophobicContact CG1-CE2 4.41Å; V1036-F1075 HydrophobicContact CG2-CE2 4.38Å; V1036-F1075 HydrophobicContact CG2-CZ 4.18Å; V1036-L1090 HydrophobicContact CG1-CD1 3.95Å; V1036-L1090 HydrophobicContact CG1-CD2 3.46Å; V1036-L1090 VanDerWaalsContact CG1-CD2 3.46Å; V1036-L1090 HydrophobicContact CG1-CG 3.45Å; V1036-L1090 VanDerWaalsContact CG1-CG 3.45Å; V1036-P1092 HydrophobicContact CG2-CB 4.23Å
1037V97.1Very high94.2Very high13 Ų1353.3 Ų53.38%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-99.3138.7169.9-179.50000109.1P972 W974 D1045 K1047 L1090 A1091P972-V1037 HydrophobicContact CB-CG2 4.31Å; W974-V1037 HydrophobicContact CH2-CB 4.45Å; W974-V1037 HydrophobicContact CH2-CG1 3.75Å; W974-V1037 HydrophobicContact CZ2-CG1 4.27Å; V1037-D1045 HydrophobicContact CG1-CB 3.97Å; V1037-K1047 HydrophobicContact CG1-CG 4.07Å; V1037-K1047 HydrophobicContact CG2-CD 4.45Å; V1037-K1047 HydrophobicContact CG2-CG 4.25Å; V1037-L1090 WeakPolarHBondContact O-CA 3.46Å; V1037-A1091 HydrophobicContact CB-CB 4.4Å; V1037-A1091 PolarHBondContact N-O 2.88Å; V1037-A1091 PolarHBondContact O-N 3.01Å
1038L97.6Very high94.3Very high0 Ų051.4 Ų51.40%026%0.262CS..EExtended strand (participates in β ladder)trans-110146.3175.6-50.3174.3000109I1014 V1036 D1045 I1046 Y1056 F1075 I1087 L1090I1014-L1038 HydrophobicContact CG2-CD1 3.85Å; I1014-L1038 HydrophobicContact CG2-CD2 3.9Å; V1036-L1038 HydrophobicContact CG1-CD2 3.99Å; L1038-D1045 CarbonylContact O-C 3.53Å; L1038-I1046 HydrophobicContact CB-CB 4.28Å; L1038-I1046 PolarHBondContact N-O 3.3Å; L1038-I1046 PolarHBondContact O-N 3.22Å; L1038-Y1056 HydrophobicContact CD1-CD1 3.7Å; L1038-Y1056 HydrophobicContact CD1-CE1 4.26Å; L1038-Y1056 HydrophobicContact CD1-CG 4.33Å; L1038-Y1056 HydrophobicContact CG-CD1 4.06Å; L1038-Y1056 HydrophobicContact CG-CE1 4.2Å; L1038-F1075 HydrophobicContact CD1-CB 4.15Å; L1038-F1075 HydrophobicContact CD1-CG 4.49Å; L1038-I1087 HydrophobicContact CB-CG2 4.19Å; L1038-I1087 HydrophobicContact CD1-CD1 4.03Å; L1038-L1090 HydrophobicContact CD2-CB 4.34Å; L1038-L1090 HydrophobicContact CD2-CD1 3.71Å; L1038-L1090 HydrophobicContact CD2-CG 3.82Å
1039K96.8Very high94.5Very high27 Ų2748.7 Ų48.712%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-106.1123.5175.4-146.4-177.9-166.2-162.10111.1W974 D1043 I1087 I1088 D1089W974-K1039 HydrophobicContact CE3-CB 4.43Å; W974-K1039 HydrophobicContact CH2-CB 3.69Å; W974-K1039 HydrophobicContact CH2-CD 4.28Å; W974-K1039 HydrophobicContact CH2-CG 3.89Å; W974-K1039 HydrophobicContact CZ2-CG 4.45Å; W974-K1039 HydrophobicContact CZ3-CB 3.58Å; W974-K1039 HydrophobicContact CZ3-CD 4.43Å; W974-K1039 HydrophobicContact CZ3-CG 4.19Å; K1039-D1043 VanDerWaalsContact CE-OD1 3.27Å; K1039-D1043 WeakPolarHBondContact CE-OD1 3.38Å; K1039-D1043 IonicContact NZ-OD1 2.63Å; K1039-D1043 PolarHBondContact NZ-OD1 3.17Å; K1039-I1087 CarbonylContact O-C 3.54Å; K1039-I1087 VanDerWaalsContact O-CA 3.26Å; K1039-I1087 WeakPolarHBondContact O-CA 3.39Å; K1039-I1088 HydrophobicContact CB-CG1 4.05Å; K1039-I1088 HydrophobicContact CD-CD1 4.22Å; K1039-I1088 HydrophobicContact CD-CG1 4.3Å; K1039-I1088 HydrophobicContact CG-CG1 4.35Å; K1039-I1088 PolarHBondContact O-N 3.46Å; K1039-D1089 HydrophobicContact CB-CB 3.85Å; K1039-D1089 HydrophobicContact CD-CB 4.32Å; K1039-D1089 PolarHBondContact N-O 2.72Å
1040G95.3Very high94.5Very high0 Ų049.4 Ų49.40%026%0.261CS..EExtended strand (participates in β ladder)trans-74.8160.3171.100000112.9N1042 D1043 L1044 R1084G1040-N1042 PolarHBondContact O-N 3.07Å; G1040-D1043 PolarHBondContact O-N 3.12Å; G1040-L1044 PolarHBondContact N-O 2.6Å; G1040-R1084 CarbonylContact C-O 3.59Å; G1040-R1084 WeakPolarHBondContact CA-O 3.43Å
1041A93Very high94.5Very high31 Ų3147.1 Ų47.126%0.25626%0.256SS..THydrogen-bonded Turntrans-65.4-2.218000000115.3R1004 R1084 P1086 I1088R1004-A1041 VanDerWaalsContact NH2-CB 3.29Å; A1041-R1084 PolarHBondContact N-O 3.07Å; A1041-P1086 HydrophobicContact CB-CG 4.43Å; A1041-P1086 VanDerWaalsContact CB-O 3.3Å; A1041-P1086 WeakPolarHBondContact CB-O 3.37Å; A1041-P1086 PolarHBondContact N-O 3.2Å; A1041-I1088 HydrophobicContact CB-CG2 3.93Å
1042N91.2Very high94.4Very high59 Ų5951.4 Ų51.432%0.31628%0.277SS..THydrogen-bonded Turntrans-111.328.3170.666.7-14.1000112.3G1040 L1044G1040-N1042 PolarHBondContact O-N 3.07Å; N1042-L1044 WeakPolarHBondContact ND2-CD1 3.24Å; N1042-L1044 PolarHBondContact O-N 3.33Å
1043D92.1Very high94.3Very high97 Ų9758.7 Ų58.752%0.51930%0.303SS..SBendtrans59.57.8-178.9-71.5-68.1000116.3K1039 G1040K1039-D1043 VanDerWaalsContact CE-OD1 3.27Å; K1039-D1043 WeakPolarHBondContact CE-OD1 3.38Å; K1039-D1043 IonicContact NZ-OD1 2.63Å; K1039-D1043 PolarHBondContact NZ-OD1 3.17Å; G1040-D1043 PolarHBondContact O-N 3.12Å
1044L94.3Very high94.4Very high74 Ų7453.6 Ų53.639%0.38728%0.281SS..  trans-83.1130.2178.3-60.6-177.3000112G1040 N1042 F1054G1040-L1044 PolarHBondContact N-O 2.6Å; N1042-L1044 WeakPolarHBondContact ND2-CD1 3.24Å; N1042-L1044 PolarHBondContact O-N 3.33Å; L1044-F1054 HydrophobicContact CB-CE1 4.13Å; L1044-F1054 HydrophobicContact CD1-CE1 3.5Å; L1044-F1054 VanDerWaalsContact CD1-CE1 3.5Å; L1044-F1054 HydrophobicContact CD1-CZ 3.77Å; L1044-F1054 HydrophobicContact CG-CE1 4.44Å
1045D95.6Very high94.5Very high58 Ų5858.1 Ų58.131%0.3130%0.297SS..EExtended strand (participates in β ladder)trans-64.5140.6171.9-61.6-15.1000112.2W974 V1037 L1038 K1047W974-D1045 WeakPolarHBondContact CZ2-OD1 3.3Å; V1037-D1045 HydrophobicContact CG1-CB 3.97Å; L1038-D1045 CarbonylContact O-C 3.53Å; D1045-K1047 HydrophobicContact CB-CD 4.36Å; D1045-K1047 HydrophobicContact CB-CG 4.22Å; D1045-K1047 VanDerWaalsContact CG-CE 3.49Å; D1045-K1047 WeakPolarHBondContact OD2-CE 3.36Å; D1045-K1047 IonicContact OD2-NZ 2.67Å; D1045-K1047 PolarHBondContact OD2-NZ 3.06Å
1046I96.9Very high94.5Very high2 Ų258 Ų581%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-118.7126.3169.9-50.7162.4000107L1038 F1054 Y1056 Y1077L1038-I1046 HydrophobicContact CB-CB 4.28Å; L1038-I1046 PolarHBondContact N-O 3.3Å; L1038-I1046 PolarHBondContact O-N 3.22Å; I1046-F1054 CarbonylContact C-O 3.06Å; I1046-F1054 WeakPolarHBondContact CA-O 3.49Å; I1046-F1054 WeakPolarHBondContact CG2-O 3.45Å; I1046-Y1056 HydrophobicContact CG2-CD1 3.93Å; I1046-Y1056 HydrophobicContact CG2-CG 4.43Å; I1046-Y1077 HydrophobicContact CD1-CD1 3.63Å; I1046-Y1077 HydrophobicContact CD1-CD2 4.45Å; I1046-Y1077 HydrophobicContact CD1-CE1 3.71Å; I1046-Y1077 HydrophobicContact CD1-CG 4Å; I1046-Y1077 HydrophobicContact CG1-CE1 4.38Å; I1046-Y1077 HydrophobicContact CG2-CD2 3.58Å; I1046-Y1077 HydrophobicContact CG2-CE2 3.77Å; I1046-Y1077 HydrophobicContact CG2-CG 4.05Å
1047K95.9Very high94.5Very high83 Ų8362.1 Ų62.136%0.36132%0.317SS..BIsolated β-bridgetrans-131.2165.8-164.7-58.1-169.3-174.4-173.70112.8V1037 D1045 F1054 R1055 Y1056V1037-K1047 HydrophobicContact CG1-CG 4.07Å; V1037-K1047 HydrophobicContact CG2-CD 4.45Å; V1037-K1047 HydrophobicContact CG2-CG 4.25Å; D1045-K1047 HydrophobicContact CB-CD 4.36Å; D1045-K1047 HydrophobicContact CB-CG 4.22Å; D1045-K1047 VanDerWaalsContact CG-CE 3.49Å; D1045-K1047 WeakPolarHBondContact OD2-CE 3.36Å; D1045-K1047 IonicContact OD2-NZ 2.67Å; D1045-K1047 PolarHBondContact OD2-NZ 3.06Å; K1047-F1054 PolarHBondContact N-O 2.86Å; K1047-R1055 VanDerWaalsContact O-CA 3.3Å; K1047-R1055 WeakPolarHBondContact O-CA 3.34Å; K1047-R1055 WeakPolarHBondContact O-CG 3.5Å; K1047-Y1056 VanDerWaalsContact C-CE1 3.49Å; K1047-Y1056 PolarHBondContact O-N 2.95Å
1048A95.1Very high94.5Very high8 Ų863.4 Ų63.47%0.06633%0.325CS..SBendtrans-67.1-35.7170.900000113.4Y1024 L1032 A1035 R1055 Y1056Y1024-A1048 HydrophobicContact CD2-CB 3.89Å; Y1024-A1048 HydrophobicContact CE2-CB 3.54Å; L1032-A1048 HydrophobicContact CB-CB 3.96Å; L1032-A1048 HydrophobicContact CD1-CB 4.17Å; A1035-A1048 HydrophobicContact CB-CB 3.49Å; A1035-A1048 VanDerWaalsContact CB-CB 3.49Å; A1048-R1055 VanDerWaalsContact O-CD 3.24Å; A1048-R1055 WeakPolarHBondContact O-CD 3.37Å; A1048-R1055 VanDerWaalsContact O-CG 3.32Å; A1048-R1055 WeakPolarHBondContact O-CG 3.49Å; A1048-Y1056 HydrophobicContact CB-CE2 4.11Å; A1048-Y1056 PolarHBondContact N-OH 2.99Å
1049E92.9Very high94.4Very high111 Ų11168.1 Ų68.152%0.51935%0.349SS..SBendtrans-128150.2-174.7-65-176.9157.100111L1032L1032-E1049 HydrophobicContact CB-CG 3.97Å; L1032-E1049 HydrophobicContact CD1-CG 3.86Å; L1032-E1049 HydrophobicContact CG-CG 4.47Å
1050G91.3Very high94.4Very high67 Ų6771.1 Ų71.169%0.69136%0.364SS*.SBendtrans123.6-146.3-179.800000113.2I1052G1050-I1052 PolarHBondContact O-N 3.3Å
1051N92.4Very high94.5Very high93 Ų9373.2 Ų73.250%0.49738%0.375SS..  trans-65125.5-178.7-177.9-28000110.8R1053 F1054 R1055N1051-R1053 PolarHBondContact O-N 2.78Å; N1051-R1053 WeakPolarHBondContact OD1-CB 3.29Å; N1051-R1053 PolarHBondContact OD1-N 3.42Å; N1051-F1054 HydrophobicContact CB-CD2 4.24Å; N1051-F1054 CarbonylContact O-C 3.57Å; N1051-F1054 PolarHBondContact O-N 2.96Å; N1051-R1055 PolarHBondContact O-N 3.47Å
1052I90.8Very high94.6Very high132 Ų13275 Ų7568%0.67738%0.383SS*.G310 helixtrans-52.4-28-17963.1175.2000114.1G1050 F1054 R1055G1050-I1052 PolarHBondContact O-N 3.3Å; I1052-F1054 PolarHBondContact O-N 3.03Å; I1052-R1055 PolarHBondContact O-N 3.25Å
1053R92.6Very high94.8Very high178 Ų17872.3 Ų72.367%0.67237%0.368SS*.G310 helixtrans-71.2-16.2177.5-63.9-177.4176.1175.8-1.3113.4N1051 Y1077 R1084N1051-R1053 PolarHBondContact O-N 2.78Å; N1051-R1053 WeakPolarHBondContact OD1-CB 3.29Å; N1051-R1053 PolarHBondContact OD1-N 3.42Å; R1053-Y1077 PolarHBondContact O-OH 3.47Å; R1053-R1084 PolarHBondContact O-NH1 3.13Å
1054F95.1Very high94.9Very high55 Ų5569 Ų6924%0.24135%0.353CS..G310 helixtrans-123.123.5-179.1-62.3-77.3000111.4L1044 I1046 K1047 N1051 I1052L1044-F1054 HydrophobicContact CB-CE1 4.13Å; L1044-F1054 HydrophobicContact CD1-CE1 3.5Å; L1044-F1054 VanDerWaalsContact CD1-CE1 3.5Å; L1044-F1054 HydrophobicContact CD1-CZ 3.77Å; L1044-F1054 HydrophobicContact CG-CE1 4.44Å; I1046-F1054 CarbonylContact C-O 3.06Å; I1046-F1054 WeakPolarHBondContact CA-O 3.49Å; I1046-F1054 WeakPolarHBondContact CG2-O 3.45Å; K1047-F1054 PolarHBondContact N-O 2.86Å; N1051-F1054 HydrophobicContact CB-CD2 4.24Å; N1051-F1054 CarbonylContact O-C 3.57Å; N1051-F1054 PolarHBondContact O-N 2.96Å; I1052-F1054 PolarHBondContact O-N 3.03Å
1055R95.8Very high94.7Very high127 Ų12770.9 Ų70.948%0.47936%0.358SS..BIsolated β-bridgetrans-103.1125.8176.4-160.5-177.965179.50.3109.9K1047 A1048 N1051 I1052K1047-R1055 VanDerWaalsContact O-CA 3.3Å; K1047-R1055 WeakPolarHBondContact O-CA 3.34Å; K1047-R1055 WeakPolarHBondContact O-CG 3.5Å; A1048-R1055 VanDerWaalsContact O-CD 3.24Å; A1048-R1055 WeakPolarHBondContact O-CD 3.37Å; A1048-R1055 VanDerWaalsContact O-CG 3.32Å; A1048-R1055 WeakPolarHBondContact O-CG 3.49Å; N1051-R1055 PolarHBondContact O-N 3.47Å; I1052-R1055 PolarHBondContact O-N 3.25Å
1056Y96.8Very high94.5Very high3 Ų373.9 Ų73.91%0.01237%0.365CS..  trans-77.2164.9167.154-117.2000110.6Y1024 A1035 V1036 L1038 I1046 K1047 A1048 V1058 F1075 E1076Y1024-Y1056 AromaticContact CD2-CE2 3.8Å; Y1024-Y1056 HydrophobicContact CD2-CE2 3.8Å; Y1024-Y1056 AromaticContact CE2-CE2 3.81Å; Y1024-Y1056 HydrophobicContact CE2-CE2 3.81Å; A1035-Y1056 WeakPolarHBondContact CB-OH 3.29Å; V1036-Y1056 VanDerWaalsContact O-CE1 3.24Å; V1036-Y1056 WeakPolarHBondContact O-CE1 3.17Å; V1036-Y1056 PolarHBondContact O-OH 2.87Å; L1038-Y1056 HydrophobicContact CD1-CD1 3.7Å; L1038-Y1056 HydrophobicContact CD1-CE1 4.26Å; L1038-Y1056 HydrophobicContact CD1-CG 4.33Å; L1038-Y1056 HydrophobicContact CG-CD1 4.06Å; L1038-Y1056 HydrophobicContact CG-CE1 4.2Å; I1046-Y1056 HydrophobicContact CG2-CD1 3.93Å; I1046-Y1056 HydrophobicContact CG2-CG 4.43Å; K1047-Y1056 VanDerWaalsContact C-CE1 3.49Å; K1047-Y1056 PolarHBondContact O-N 2.95Å; A1048-Y1056 HydrophobicContact CB-CE2 4.11Å; A1048-Y1056 PolarHBondContact N-OH 2.99Å; Y1056-V1058 HydrophobicContact CD2-CG2 4.1Å; Y1056-V1058 HydrophobicContact CE2-CG2 4.01Å; Y1056-F1075 HydrophobicContact CD1-CD1 4.47Å; Y1056-F1075 AromaticContact CD2-CD1 3.58Å; Y1056-F1075 HydrophobicContact CD2-CD1 3.58Å; Y1056-F1075 HydrophobicContact CD2-CE1 4.2Å; Y1056-F1075 HydrophobicContact CE1-CD1 4.29Å; Y1056-F1075 HydrophobicContact CE1-CE1 4.45Å; Y1056-F1075 AromaticContact CE2-CD1 3.39Å; Y1056-F1075 HydrophobicContact CE2-CD1 3.39Å; Y1056-F1075 AromaticContact CE2-CE1 3.52Å; Y1056-F1075 HydrophobicContact CE2-CE1 3.52Å; Y1056-F1075 HydrophobicContact CG-CD1 4.14Å; Y1056-F1075 AromaticContact CZ-CD1 3.75Å; Y1056-F1075 AromaticContact CZ-CE1 3.64Å; Y1056-E1076 WeakPolarHBondContact CB-O 3.48Å
1057I96.3Very high94.1Very high87 Ų8778.2 Ų78.245%0.44639%0.388SS..EExtended strand (participates in β ladder)trans-108.2161166.857.7173.6000109.5F1075 E1076I1057-F1075 WeakPolarHBondContact O-CA 3.43Å; I1057-E1076 HydrophobicContact CD1-CB 4.33Å; I1057-E1076 HydrophobicContact CD1-CG 4.15Å; I1057-E1076 HydrophobicContact CG1-CB 3.86Å; I1057-E1076 HydrophobicContact CG1-CG 4.07Å; I1057-E1076 WeakPolarHBondContact CG1-O 3.4Å; I1057-E1076 PolarHBondContact N-O 2.83Å; I1057-E1076 PolarHBondContact O-N 3.29Å
1058V97Very high93.7Very high40 Ų4076 Ų7624%0.24239%0.389CS..EExtended strand (participates in β ladder)trans-121.7115.8-177179.30000108.4Y1024 Y1056 Q1060 D1061 T1073 V1074 F1075Y1024-V1058 HydrophobicContact CD1-CB 4.4Å; Y1024-V1058 HydrophobicContact CD1-CG1 4.38Å; Y1024-V1058 HydrophobicContact CD1-CG2 3.93Å; Y1024-V1058 HydrophobicContact CD2-CG2 3.68Å; Y1024-V1058 HydrophobicContact CE1-CB 4.36Å; Y1024-V1058 HydrophobicContact CE1-CG2 3.98Å; Y1024-V1058 HydrophobicContact CE2-CG2 3.71Å; Y1024-V1058 HydrophobicContact CG-CG2 3.78Å; Y1056-V1058 HydrophobicContact CD2-CG2 4.1Å; Y1056-V1058 HydrophobicContact CE2-CG2 4.01Å; V1058-Q1060 WeakPolarHBondContact CG1-O 3.43Å; V1058-D1061 HydrophobicContact CG1-CB 4.04Å; V1058-T1073 HydrophobicContact CG1-CG2 3.74Å; V1058-V1074 WeakPolarHBondContact CA-O 3.29Å; V1058-F1075 HydrophobicContact CG2-CD1 3.76Å; V1058-F1075 HydrophobicContact CG2-CE1 3.97Å
1059L96.3Very high93.6Very high99 Ų9980.6 Ų80.652%0.51841%0.412SS..EExtended strand (participates in β ladder)trans-82.8-30.1-178-63.3178.6000112V1074 E1076L1059-V1074 HydrophobicContact CB-CB 4.38Å; L1059-V1074 HydrophobicContact CB-CG1 4.25Å; L1059-V1074 HydrophobicContact CD1-CG1 4.28Å; L1059-V1074 PolarHBondContact N-O 3.13Å; L1059-E1076 HydrophobicContact CD1-CB 4.02Å; L1059-E1076 HydrophobicContact CG-CB 4.16Å
1060Q96Very high93.7Very high89 Ų8979.2 Ų79.242%0.41641%0.411SS..EExtended strand (participates in β ladder)trans-151.2134.5176.6-175.6175.23100108.8V1058 T1062 T1073 V1074V1058-Q1060 WeakPolarHBondContact CG1-O 3.43Å; Q1060-T1062 HydrophobicContact CG-CG2 4.38Å; Q1060-T1073 CarbonylContact O-C 3.54Å; Q1060-T1073 VanDerWaalsContact O-CA 3.26Å; Q1060-T1073 WeakPolarHBondContact O-CA 3.26Å; Q1060-V1074 HydrophobicContact CB-CB 4.31Å; Q1060-V1074 HydrophobicContact CB-CG2 4.23Å; Q1060-V1074 PolarHBondContact O-N 2.98Å
1061D96.4Very high93.9Very high45 Ų4576.8 Ų76.824%0.24139%0.386CS..EExtended strand (participates in β ladder)trans-128.8119.4166.3-16913.7000110.5M1025 V1058 C1063 T1073M1025-D1061 PolarHBondContact N-OD2 2.95Å; M1025-D1061 VanDerWaalsContact N-OD2 3.1Å; V1058-D1061 HydrophobicContact CG1-CB 4.04Å; D1061-C1063 PolarHBondContact OD1-N 2.86Å; D1061-T1073 HydrophobicContact CB-CG2 4.09Å; D1061-T1073 PolarHBondContact OD1-OG1 3.16Å
1062T95.9Very high94.1Very high69 Ų6976.2 Ų76.242%0.42338%0.38SS..  trans-122.63.1169.757.30000112.2Q1060 S1064 K1072Q1060-T1062 HydrophobicContact CG-CG2 4.38Å; T1062-S1064 VanDerWaalsContact C-N 3.28Å; T1062-S1064 PolarHBondContact O-N 2.7Å; T1062-K1072 PolarHBondContact N-O 3.02Å; T1062-K1072 PolarHBondContact OG1-N 2.91Å; T1062-K1072 PolarHBondContact OG1-O 3.35Å
1063C95.5Very high94.5Very high1 Ų169.9 Ų69.91%0.00735%0.347CS..  trans-92.629.9177.3-60.60000112.2C1018 V1022 G1023 D1061 K1072 T1073C1018-C1063 HydrophobicContact CB-CB 3.83Å; C1018-C1063 WeakPolarHBondContact CB-SG 3.32Å; C1018-C1063 VanDerWaalsContact SG-CA 3.5Å; C1018-C1063 WeakPolarHBondContact SG-CB 3.02Å; C1018-C1063 CovalentContact SG-SG 2.02Å; C1018-C1063 PolarHBondContact SG-SG 3.03Å; V1022-C1063 VanDerWaalsContact CA-O 3.27Å; V1022-C1063 WeakPolarHBondContact CA-O 3.1Å; G1023-C1063 PolarHBondContact N-O 3.49Å; D1061-C1063 PolarHBondContact OD1-N 2.86Å; C1063-K1072 VanDerWaalsContact SG-CA 3.51Å; C1063-T1073 VanDerWaalsContact CB-OG1 3.26Å; C1063-T1073 WeakPolarHBondContact CB-OG1 3.26Å; C1063-T1073 PolarHBondContact SG-OG1 3.39Å; C1063-T1073 VanDerWaalsContact SG-OG1 3.38Å
1064S93.8Very high94.7Very high29 Ų2962.4 Ų62.420%0.20332%0.321CS..SBendtrans-85.1-9.9-174.557.40000114.6M1025 D1027 T1062M1025-S1064 WeakPolarHBondContact O-CA 3.45Å; M1025-S1064 WeakPolarHBondContact O-CB 3.26Å; D1027-S1064 VanDerWaalsContact CB-O 3.27Å; D1027-S1064 WeakPolarHBondContact CB-O 3.24Å; D1027-S1064 PolarHBondContact N-O 3.17Å; T1062-S1064 VanDerWaalsContact C-N 3.28Å; T1062-S1064 PolarHBondContact O-N 2.7Å
1065K91.2Very high94.9Very high112 Ų11259.8 Ų59.849%0.48731%0.31SS..SBendtrans-139.6142.5-178.8-37.1-161.7-167.6-149.20111.4D1027 N1067D1027-K1065 HydrophobicContact CB-CD 4.26Å; D1027-K1065 HydrophobicContact CB-CG 3.9Å; D1027-K1065 WeakPolarHBondContact OD2-CE 3.45Å; D1027-K1065 IonicContact OD2-NZ 3.49Å; D1027-K1065 PolarHBondContact OD2-NZ 2.93Å; K1065-N1067 PolarHBondContact O-N 3.04Å
1066R89.7Confident94.9Very high121 Ų12155.4 Ų55.446%0.45730%0.295SS..  trans-84.297.8168.9-52-173.3-168.2156.31.8109.3N1020 D1094N1020-R1066 HydrophobicContact CB-CB 4.32Å; N1020-R1066 WeakPolarHBondContact O-CD 3.41Å; N1020-R1066 WeakPolarHBondContact O-CG 3.39Å; R1066-D1094 IonicContact CZ-OD1 2.69Å; R1066-D1094 VanDerWaalsContact CZ-OD1 3.31Å; R1066-D1094 IonicContact CZ-OD2 3.9Å; R1066-D1094 VanDerWaalsContact CZ-OD2 3.3Å; R1066-D1094 IonicContact NE-OD1 2.63Å; R1066-D1094 IonicContact NE-OD2 3.69Å; R1066-D1094 PolarHBondContact NE-OD2 2.93Å; R1066-D1094 IonicContact NH2-OD1 2.64Å; R1066-D1094 PolarHBondContact NH2-OD1 3.22Å; R1066-D1094 IonicContact NH2-OD2 3.48Å; R1066-D1094 PolarHBondContact NH2-OD2 3.22Å
1067N88.4Confident95Very high93 Ų9355.6 Ų55.650%0.49730%0.295SS..SBendtrans-127.212.7-171.467.4-2.4000114.3N1020 K1065 N1069N1020-N1067 PolarHBondContact OD1-N 2.8Å; K1065-N1067 PolarHBondContact O-N 3.04Å; N1067-N1069 PolarHBondContact ND2-ND2 2.87Å; N1067-N1069 PolarHBondContact O-N 2.85Å; N1067-N1069 WeakPolarHBondContact OD1-CB 3.44Å; N1067-N1069 PolarHBondContact OD1-N 2.72Å
1068G88.8Confident95Very high37 Ų3757.7 Ų57.738%0.38130%0.298SS..SBendtrans78.7-18.6-176.100000115.3K1019 N1020K1019-G1068 WeakPolarHBondContact CE-O 3.27Å; N1020-G1068 VanDerWaalsContact OD1-CA 3.31Å; N1020-G1068 WeakPolarHBondContact OD1-CA 3.36Å; N1020-G1068 PolarHBondContact OD1-N 3.34Å
1069N92.7Very high95Very high104 Ų10456.4 Ų56.456%0.55629%0.29SS*.SBendtrans-81.6160-177.2-59.5-47.1000111.9N1067N1067-N1069 PolarHBondContact ND2-ND2 2.87Å; N1067-N1069 PolarHBondContact O-N 2.85Å; N1067-N1069 WeakPolarHBondContact OD1-CB 3.44Å; N1067-N1069 PolarHBondContact OD1-N 2.72Å
1070V95.3Very high94.9Very high82 Ų8259.5 Ų59.550%0.49730%0.302SS..EExtended strand (participates in β ladder)trans-83129168.2-177.10000108.8I1017 C1018 K1019I1017-V1070 HydrophobicContact CG2-CG1 3.67Å; C1018-V1070 CarbonylContact O-C 3.49Å; C1018-V1070 VanDerWaalsContact O-CA 3.31Å; C1018-V1070 WeakPolarHBondContact O-CA 3.15Å; K1019-V1070 HydrophobicContact CB-CG2 4.44Å
1071G95.8Very high94.9Very high16 Ų1658.9 Ų58.917%0.16530%0.301CS..EExtended strand (participates in β ladder)trans-126.6-179.2172.800000111.3I1017 C1018I1017-G1071 WeakPolarHBondContact CG2-O 3.46Å; C1018-G1071 PolarHBondContact N-O 2.8Å; C1018-G1071 PolarHBondContact O-N 2.78Å; C1018-G1071 PolarHBondContact SG-O 2.93Å
1072K96.9Very high94.8Very high81 Ų8157.3 Ų57.335%0.35229%0.294SS..EExtended strand (participates in β ladder)trans-143.4150.2169.169179.9-172170.80113.7T1015 Y1016 T1062 C1063 V1074T1015-K1072 HydrophobicContact CG2-CB 3.71Å; T1015-K1072 HydrophobicContact CG2-CD 3.82Å; T1015-K1072 HydrophobicContact CG2-CG 4.26Å; Y1016-K1072 CarbonylContact O-C 3.5Å; Y1016-K1072 VanDerWaalsContact O-CA 3.24Å; Y1016-K1072 WeakPolarHBondContact O-CA 3.48Å; T1062-K1072 PolarHBondContact N-O 3.02Å; T1062-K1072 PolarHBondContact OG1-N 2.91Å; T1062-K1072 PolarHBondContact OG1-O 3.35Å; C1063-K1072 VanDerWaalsContact SG-CA 3.51Å; K1072-V1074 HydrophobicContact CD-CG2 4.4Å
1073T97.8Very high94.7Very high0 Ų056.1 Ų56.10%029%0.291CS..EExtended strand (participates in β ladder)trans-118.5126.9166.5-490000108.1T1015 Y1016 V1058 Q1060 D1061 C1063 F1075T1015-T1073 CarbonylContact C-O 3.59Å; T1015-T1073 WeakPolarHBondContact CA-O 3.48Å; Y1016-T1073 PolarHBondContact N-O 2.87Å; Y1016-T1073 PolarHBondContact O-N 3.04Å; V1058-T1073 HydrophobicContact CG1-CG2 3.74Å; Q1060-T1073 CarbonylContact O-C 3.54Å; Q1060-T1073 VanDerWaalsContact O-CA 3.26Å; Q1060-T1073 WeakPolarHBondContact O-CA 3.26Å; D1061-T1073 HydrophobicContact CB-CG2 4.09Å; D1061-T1073 PolarHBondContact OD1-OG1 3.16Å; C1063-T1073 VanDerWaalsContact CB-OG1 3.26Å; C1063-T1073 WeakPolarHBondContact CB-OG1 3.26Å; C1063-T1073 PolarHBondContact SG-OG1 3.39Å; C1063-T1073 VanDerWaalsContact SG-OG1 3.38Å; T1073-F1075 HydrophobicContact CG2-CD1 4.37Å; T1073-F1075 HydrophobicContact CG2-CE1 3.75Å; T1073-F1075 HydrophobicContact CG2-CE2 3.96Å; T1073-F1075 HydrophobicContact CG2-CZ 3.52Å
1074V97.9Very high94.7Very high20 Ų2057.2 Ų57.212%0.12130%0.295CS..EExtended strand (participates in β ladder)trans-105.8113179.1-177.80000108.5T1015 V1058 L1059 Q1060 K1072T1015-V1074 HydrophobicContact CG2-CG2 4.19Å; V1058-V1074 WeakPolarHBondContact CA-O 3.29Å; L1059-V1074 HydrophobicContact CB-CB 4.38Å; L1059-V1074 HydrophobicContact CB-CG1 4.25Å; L1059-V1074 HydrophobicContact CD1-CG1 4.28Å; L1059-V1074 PolarHBondContact N-O 3.13Å; Q1060-V1074 HydrophobicContact CB-CB 4.31Å; Q1060-V1074 HydrophobicContact CB-CG2 4.23Å; Q1060-V1074 PolarHBondContact O-N 2.98Å; K1072-V1074 HydrophobicContact CD-CG2 4.4Å
1075F97.8Very high94.8Very high0 Ų055.8 Ų55.80%029%0.285CS..EExtended strand (participates in β ladder)trans-95.1143.2175.4-53.4-82.1000110.1N1013 I1014 G1023 Y1024 V1036 L1038 Y1056 I1057 V1058 T1073N1013-F1075 CarbonylContact C-O 3.58Å; N1013-F1075 VanDerWaalsContact CA-O 3.25Å; N1013-F1075 WeakPolarHBondContact CA-O 3.35Å; I1014-F1075 HydrophobicContact CG2-CB 3.87Å; I1014-F1075 HydrophobicContact CG2-CD2 4.19Å; I1014-F1075 HydrophobicContact CG2-CG 4.48Å; I1014-F1075 PolarHBondContact N-O 2.85Å; I1014-F1075 PolarHBondContact O-N 3.46Å; G1023-F1075 WeakPolarHBondContact O-CZ 3.43Å; Y1024-F1075 HydrophobicContact CD2-CE1 4.33Å; V1036-F1075 HydrophobicContact CB-CE2 4.11Å; V1036-F1075 HydrophobicContact CB-CZ 3.83Å; V1036-F1075 HydrophobicContact CG1-CE2 4.41Å; V1036-F1075 HydrophobicContact CG2-CE2 4.38Å; V1036-F1075 HydrophobicContact CG2-CZ 4.18Å; L1038-F1075 HydrophobicContact CD1-CB 4.15Å; L1038-F1075 HydrophobicContact CD1-CG 4.49Å; Y1056-F1075 HydrophobicContact CD1-CD1 4.47Å; Y1056-F1075 AromaticContact CD2-CD1 3.58Å; Y1056-F1075 HydrophobicContact CD2-CD1 3.58Å; Y1056-F1075 HydrophobicContact CD2-CE1 4.2Å; Y1056-F1075 HydrophobicContact CE1-CD1 4.29Å; Y1056-F1075 HydrophobicContact CE1-CE1 4.45Å; Y1056-F1075 AromaticContact CE2-CD1 3.39Å; Y1056-F1075 HydrophobicContact CE2-CD1 3.39Å; Y1056-F1075 AromaticContact CE2-CE1 3.52Å; Y1056-F1075 HydrophobicContact CE2-CE1 3.52Å; Y1056-F1075 HydrophobicContact CG-CD1 4.14Å; Y1056-F1075 AromaticContact CZ-CD1 3.75Å; Y1056-F1075 AromaticContact CZ-CE1 3.64Å; I1057-F1075 WeakPolarHBondContact O-CA 3.43Å; V1058-F1075 HydrophobicContact CG2-CD1 3.76Å; V1058-F1075 HydrophobicContact CG2-CE1 3.97Å; T1073-F1075 HydrophobicContact CG2-CD1 4.37Å; T1073-F1075 HydrophobicContact CG2-CE1 3.75Å; T1073-F1075 HydrophobicContact CG2-CE2 3.96Å; T1073-F1075 HydrophobicContact CG2-CZ 3.52Å
1076E97.4Very high95Very high36 Ų3650.6 Ų50.617%0.16826%0.262CS..EExtended strand (participates in β ladder)trans-124.1136.2166.8166.1174.3-161.300108.6N1013 Y1056 I1057 L1059N1013-E1076 WeakPolarHBondContact OD1-CB 3.29Å; N1013-E1076 WeakPolarHBondContact OD1-CG 3.41Å; Y1056-E1076 WeakPolarHBondContact CB-O 3.48Å; I1057-E1076 HydrophobicContact CD1-CB 4.33Å; I1057-E1076 HydrophobicContact CD1-CG 4.15Å; I1057-E1076 HydrophobicContact CG1-CB 3.86Å; I1057-E1076 HydrophobicContact CG1-CG 4.07Å; I1057-E1076 WeakPolarHBondContact CG1-O 3.4Å; I1057-E1076 PolarHBondContact N-O 2.83Å; I1057-E1076 PolarHBondContact O-N 3.29Å; L1059-E1076 HydrophobicContact CD1-CB 4.02Å; L1059-E1076 HydrophobicContact CG-CB 4.16Å
1077Y97.6Very high95.4Very high6 Ų644.8 Ų44.82%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-126.3124.6167.6-176.6-110.8000110S1011 Q1012 I1046 R1053 T1079 R1084 L1085S1011-Y1077 CarbonylContact C-O 3.4Å; S1011-Y1077 WeakPolarHBondContact CA-O 3.43Å; Q1012-Y1077 PolarHBondContact N-O 3.1Å; Q1012-Y1077 PolarHBondContact O-N 2.87Å; I1046-Y1077 HydrophobicContact CD1-CD1 3.63Å; I1046-Y1077 HydrophobicContact CD1-CD2 4.45Å; I1046-Y1077 HydrophobicContact CD1-CE1 3.71Å; I1046-Y1077 HydrophobicContact CD1-CG 4Å; I1046-Y1077 HydrophobicContact CG1-CE1 4.38Å; I1046-Y1077 HydrophobicContact CG2-CD2 3.58Å; I1046-Y1077 HydrophobicContact CG2-CE2 3.77Å; I1046-Y1077 HydrophobicContact CG2-CG 4.05Å; R1053-Y1077 PolarHBondContact O-OH 3.47Å; Y1077-T1079 HydrophobicContact CD1-CG2 4.32Å; Y1077-T1079 HydrophobicContact CE1-CG2 3.58Å; Y1077-R1084 HydrophobicContact CE1-CB 4.35Å; Y1077-R1084 WeakPolarHBondContact OH-CD 3.28Å; Y1077-R1084 PolarHBondContact OH-NH1 2.91Å; Y1077-L1085 HydrophobicContact CD1-CD1 4.23Å; Y1077-L1085 HydrophobicContact CD1-CD2 4Å; Y1077-L1085 HydrophobicContact CD1-CG 4.06Å; Y1077-L1085 HydrophobicContact CE1-CG 4.48Å
1078R96.4Very high95.7Very high131 Ų13141.7 Ų41.749%0.49422%0.224SC..EExtended strand (participates in β ladder)trans-126.7131.9-178178.6174.6178.4140.27.3109.4E1009 A1010E1009-R1078 HydrophobicContact CG-CG 4.15Å; E1009-R1078 VanDerWaalsContact OE1-CG 3.24Å; E1009-R1078 WeakPolarHBondContact OE1-CG 3.46Å; E1009-R1078 IonicContact OE1-CZ 3.87Å; E1009-R1078 IonicContact OE1-NE 2.93Å; E1009-R1078 PolarHBondContact OE1-NE 3.34Å; E1009-R1078 IonicContact OE1-NH2 3.92Å; E1009-R1078 IonicContact OE2-CZ 3.34Å; E1009-R1078 IonicContact OE2-NE 3.17Å; E1009-R1078 PolarHBondContact OE2-NE 3.14Å; E1009-R1078 IonicContact OE2-NH2 2.7Å; E1009-R1078 PolarHBondContact OE2-NH2 3.01Å; A1010-R1078 CarbonylContact O-C 3.5Å; A1010-R1078 WeakPolarHBondContact O-CA 3.37Å
1079T96.3Very high96.1Very high14 Ų1439.9 Ų39.99%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-156.4140.2-174.3-164.20000114.3A1010 Y1077 N1081 R1084 L1085A1010-T1079 PolarHBondContact N-O 2.79Å; A1010-T1079 PolarHBondContact O-N 2.59Å; Y1077-T1079 HydrophobicContact CD1-CG2 4.32Å; Y1077-T1079 HydrophobicContact CE1-CG2 3.58Å; T1079-N1081 WeakPolarHBondContact CG2-O 3.24Å; T1079-N1081 PolarHBondContact O-N 3Å; T1079-N1081 PolarHBondContact OG1-N 3.33Å; T1079-R1084 HydrophobicContact CG2-CB 4.35Å; T1079-R1084 PolarHBondContact OG1-NH1 3.38Å; T1079-R1084 VanDerWaalsContact OG1-NH1 3.13Å; T1079-L1085 HydrophobicContact CG2-CD1 4.39Å
1080Q95.4Very high96.3Very high163 Ų16335 Ų3576%0.76218%0.179SC*.SBendtrans-72-13.1168.8-66.5172-18.200113.2K1008 V1082K1008-Q1080 WeakPolarHBondContact O-CA 3.39Å; Q1080-V1082 PolarHBondContact O-N 3.36Å
1081N95.3Very high96.4Very high76 Ų7631 Ų3141%0.40616%0.155SC..  trans-95.977172.9-169-46.7000109.4T1079 A1083 R1084T1079-N1081 WeakPolarHBondContact CG2-O 3.24Å; T1079-N1081 PolarHBondContact O-N 3Å; T1079-N1081 PolarHBondContact OG1-N 3.33Å; N1081-A1083 PolarHBondContact O-N 2.99Å; N1081-R1084 HydrophobicContact CB-CG 4.4Å; N1081-R1084 WeakPolarHBondContact O-CB 3.19Å; N1081-R1084 WeakPolarHBondContact O-CG 3.43Å; N1081-R1084 PolarHBondContact O-N 3.13Å
1082V95.1Very high96.3Very high13 Ų1330.3 Ų30.38%0.07915%0.147CC..G310 helixtrans-57.3-19.8-174.2-60.50000114.6R1004 E1009 A1010 Q1080 R1084 L1085 F1111R1004-V1082 HydrophobicContact CB-CB 4.49Å; R1004-V1082 HydrophobicContact CB-CG2 3.76Å; R1004-V1082 HydrophobicContact CG-CB 4.19Å; R1004-V1082 HydrophobicContact CG-CG2 3.96Å; R1004-V1082 VanDerWaalsContact O-CG2 3.24Å; R1004-V1082 WeakPolarHBondContact O-CG2 3.33Å; E1009-V1082 VanDerWaalsContact C-CG1 3.45Å; A1010-V1082 HydrophobicContact CB-CB 4.1Å; A1010-V1082 HydrophobicContact CB-CG1 3.79Å; Q1080-V1082 PolarHBondContact O-N 3.36Å; V1082-R1084 PolarHBondContact O-N 3.48Å; V1082-L1085 PolarHBondContact O-N 3.38Å; V1082-F1111 HydrophobicContact CB-CD1 4.49Å; V1082-F1111 HydrophobicContact CB-CE1 4.43Å
1083A93.5Very high96.2Very high44 Ų4426.9 Ų26.936%0.36413%0.133SC..G310 helixtrans-66.8-13.8174.600000114.1N1081N1081-A1083 PolarHBondContact O-N 2.99Å
1084R94.9Very high96Very high23 Ų2327.1 Ų27.19%0.08714%0.135CC..G310 helixtrans-80.7-24176.1-63.3168.1177.7-177.6-13.7113.8G1040 A1041 R1053 Y1077 T1079 N1081 V1082G1040-R1084 CarbonylContact C-O 3.59Å; G1040-R1084 WeakPolarHBondContact CA-O 3.43Å; A1041-R1084 PolarHBondContact N-O 3.07Å; R1053-R1084 PolarHBondContact O-NH1 3.13Å; Y1077-R1084 HydrophobicContact CE1-CB 4.35Å; Y1077-R1084 WeakPolarHBondContact OH-CD 3.28Å; Y1077-R1084 PolarHBondContact OH-NH1 2.91Å; T1079-R1084 HydrophobicContact CG2-CB 4.35Å; T1079-R1084 PolarHBondContact OG1-NH1 3.38Å; T1079-R1084 VanDerWaalsContact OG1-NH1 3.13Å; N1081-R1084 HydrophobicContact CB-CG 4.4Å; N1081-R1084 WeakPolarHBondContact O-CB 3.19Å; N1081-R1084 WeakPolarHBondContact O-CG 3.43Å; N1081-R1084 PolarHBondContact O-N 3.13Å; V1082-R1084 PolarHBondContact O-N 3.48Å
1085L96.4Very high95.7Very high0 Ų027 Ų270%013%0.134CC..  trans-101.3151.9179.3-79.8174.8000110.2R1004 A1010 Q1012 Y1077 T1079 V1082 I1087 V1109R1004-L1085 PolarHBondContact NE-O 3.35Å; R1004-L1085 PolarHBondContact NH2-O 2.85Å; A1010-L1085 HydrophobicContact CB-CB 4.2Å; A1010-L1085 HydrophobicContact CB-CD1 3.73Å; A1010-L1085 WeakPolarHBondContact O-CD1 3.43Å; Q1012-L1085 HydrophobicContact CB-CD1 4.27Å; Q1012-L1085 HydrophobicContact CB-CD2 3.78Å; Y1077-L1085 HydrophobicContact CD1-CD1 4.23Å; Y1077-L1085 HydrophobicContact CD1-CD2 4Å; Y1077-L1085 HydrophobicContact CD1-CG 4.06Å; Y1077-L1085 HydrophobicContact CE1-CG 4.48Å; T1079-L1085 HydrophobicContact CG2-CD1 4.39Å; V1082-L1085 PolarHBondContact O-N 3.38Å; L1085-I1087 HydrophobicContact CD2-CG1 3.94Å; L1085-V1109 HydrophobicContact CB-CG2 3.94Å
1086P96.3Very high95.3Very high2 Ų227.5 Ų27.51%0.01314%0.139CC..SBendcis-75.8176.64.331-36.8000114.2Y987 M1000 A1041 V1109Y987-P1086 HydrophobicContact CD1-CB 4.36Å; Y987-P1086 HydrophobicContact CD2-CB 4Å; Y987-P1086 HydrophobicContact CD2-CG 3.62Å; Y987-P1086 HydrophobicContact CE1-CB 3.91Å; Y987-P1086 HydrophobicContact CE2-CB 3.51Å; Y987-P1086 HydrophobicContact CE2-CG 3.53Å; Y987-P1086 HydrophobicContact CG-CB 4.43Å; Y987-P1086 HydrophobicContact CG-CG 4.23Å; Y987-P1086 VanDerWaalsContact CZ-CB 3.48Å; M1000-P1086 VanDerWaalsContact CE-CD 3.47Å; M1000-P1086 HydrophobicContact CE-CG 3.72Å; M1000-P1086 WeakPolarHBondContact SD-CD 3.48Å; M1000-P1086 HydrophobicContact SD-CG 3.85Å; A1041-P1086 HydrophobicContact CB-CG 4.43Å; A1041-P1086 VanDerWaalsContact CB-O 3.3Å; A1041-P1086 WeakPolarHBondContact CB-O 3.37Å; A1041-P1086 PolarHBondContact N-O 3.2Å; P1086-V1109 HydrophobicContact CB-CB 3.92Å; P1086-V1109 HydrophobicContact CB-CG1 3.93Å; P1086-V1109 HydrophobicContact CB-CG2 4.11Å
1087I97Very high94.9Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-73.7125.8165.3-60.1161.4000108.3F985 Y987 Q1012 I1014 L1038 K1039 L1085 D1089F985-I1087 HydrophobicContact CD2-CG2 4.23Å; F985-I1087 HydrophobicContact CE2-CG2 4.2Å; Y987-I1087 WeakPolarHBondContact CE2-O 3.4Å; Y987-I1087 PolarHBondContact OH-O 2.77Å; Q1012-I1087 HydrophobicContact CB-CD1 4.4Å; Q1012-I1087 HydrophobicContact CG-CD1 4.19Å; I1014-I1087 HydrophobicContact CB-CD1 4.2Å; I1014-I1087 HydrophobicContact CD1-CD1 4.49Å; I1014-I1087 HydrophobicContact CD1-CG2 4.14Å; I1014-I1087 HydrophobicContact CG2-CD1 3.8Å; L1038-I1087 HydrophobicContact CB-CG2 4.19Å; L1038-I1087 HydrophobicContact CD1-CD1 4.03Å; K1039-I1087 CarbonylContact O-C 3.54Å; K1039-I1087 VanDerWaalsContact O-CA 3.26Å; K1039-I1087 WeakPolarHBondContact O-CA 3.39Å; L1085-I1087 HydrophobicContact CD2-CG1 3.94Å; I1087-D1089 WeakPolarHBondContact CG2-O 3.36Å
1088I95.6Very high94.4Very high27 Ų2732.8 Ų32.814%0.13818%0.18CC..EExtended strand (participates in β ladder)trans-105-19.1-178.161.9171000113.5Q984 F985 K1039 A1041Q984-I1088 CarbonylContact C-O 3.42Å; Q984-I1088 VanDerWaalsContact CA-O 3.25Å; Q984-I1088 WeakPolarHBondContact CA-O 3.35Å; Q984-I1088 VanDerWaalsContact CB-O 3.31Å; Q984-I1088 WeakPolarHBondContact CB-O 3.41Å; F985-I1088 PolarHBondContact N-O 2.99Å; K1039-I1088 HydrophobicContact CB-CG1 4.05Å; K1039-I1088 HydrophobicContact CD-CD1 4.22Å; K1039-I1088 HydrophobicContact CD-CG1 4.3Å; K1039-I1088 HydrophobicContact CG-CG1 4.35Å; K1039-I1088 PolarHBondContact O-N 3.46Å; A1041-I1088 HydrophobicContact CB-CG2 3.93Å
1089D97Very high94.1Very high0 Ų030.3 Ų30.30%018%0.176CC..EExtended strand (participates in β ladder)trans-156.4165-179.5-151.4-24.2000111W974 Y975 G976 Q984 K1039 I1087W974-D1089 HydrophobicContact CE3-CB 3.86Å; W974-D1089 HydrophobicContact CZ3-CB 4.17Å; Y975-D1089 PolarHBondContact N-OD1 2.87Å; G976-D1089 VanDerWaalsContact CA-OD2 3.26Å; G976-D1089 WeakPolarHBondContact CA-OD2 3.45Å; G976-D1089 VanDerWaalsContact N-CG 3.35Å; G976-D1089 PolarHBondContact N-OD1 3.45Å; G976-D1089 PolarHBondContact N-OD2 2.82Å; Q984-D1089 HydrophobicContact CG-CB 4.49Å; K1039-D1089 HydrophobicContact CB-CB 3.85Å; K1039-D1089 HydrophobicContact CD-CB 4.32Å; K1039-D1089 PolarHBondContact N-O 2.72Å; I1087-D1089 WeakPolarHBondContact CG2-O 3.36Å
1090L96.8Very high94Very high0 Ų030.3 Ų30.30%018%0.175CC..EExtended strand (participates in β ladder)trans-143.1128.6-178-176.4157.1000109.5Y975 F985 I1014 Y1016 V1036 V1037 L1038 V1104Y975-L1090 VanDerWaalsContact CB-O 3.23Å; Y975-L1090 WeakPolarHBondContact CB-O 3.35Å; Y975-L1090 PolarHBondContact N-O 2.96Å; F985-L1090 HydrophobicContact CE2-CB 4.05Å; F985-L1090 HydrophobicContact CZ-CB 3.93Å; I1014-L1090 HydrophobicContact CD1-CD1 3.9Å; I1014-L1090 HydrophobicContact CG1-CD1 4.25Å; Y1016-L1090 HydrophobicContact CD2-CD2 4Å; Y1016-L1090 HydrophobicContact CE2-CD2 4.21Å; V1036-L1090 HydrophobicContact CG1-CD1 3.95Å; V1036-L1090 HydrophobicContact CG1-CD2 3.46Å; V1036-L1090 VanDerWaalsContact CG1-CD2 3.46Å; V1036-L1090 HydrophobicContact CG1-CG 3.45Å; V1036-L1090 VanDerWaalsContact CG1-CG 3.45Å; V1037-L1090 WeakPolarHBondContact O-CA 3.46Å; L1038-L1090 HydrophobicContact CD2-CB 4.34Å; L1038-L1090 HydrophobicContact CD2-CD1 3.71Å; L1038-L1090 HydrophobicContact CD2-CG 3.82Å; L1090-V1104 HydrophobicContact CD1-CG1 3.96Å; L1090-V1104 HydrophobicContact CD1-CG2 4.15Å
1091A96.3Very high94Very high0 Ų024.3 Ų24.30%015%0.147CC..EExtended strand (participates in β ladder)trans-117.8106.3175.900000111.8P972 V973 W974 V1037P972-A1091 HydrophobicContact CB-CB 3.74Å; V973-A1091 VanDerWaalsContact O-CA 3.24Å; V973-A1091 WeakPolarHBondContact O-CA 3.43Å; V973-A1091 WeakPolarHBondContact O-CB 3.39Å; W974-A1091 HydrophobicContact CD2-CB 3.65Å; W974-A1091 HydrophobicContact CE3-CB 3.49Å; W974-A1091 VanDerWaalsContact CE3-CB 3.49Å; W974-A1091 HydrophobicContact CG-CB 4.13Å; W974-A1091 HydrophobicContact CH2-CB 4.34Å; W974-A1091 HydrophobicContact CZ2-CB 4.47Å; W974-A1091 HydrophobicContact CZ3-CB 3.83Å; V1037-A1091 HydrophobicContact CB-CB 4.4Å; V1037-A1091 PolarHBondContact N-O 2.88Å; V1037-A1091 PolarHBondContact O-N 3.01Å
1092P95.4Very high94Very high0 Ų020.8 Ų20.80%013%0.128CC..  trans-71.9149.8165.732.5-33.5000111V973 M979 Y1016 V1036 V1095 F1102V973-P1092 PolarHBondContact N-O 2.8Å; V973-P1092 WeakPolarHBondContact O-CD 3.5Å; M979-P1092 HydrophobicContact CE-CG 3.91Å; Y1016-P1092 HydrophobicContact CE2-CB 3.87Å; Y1016-P1092 HydrophobicContact CE2-CG 4.3Å; Y1016-P1092 WeakPolarHBondContact OH-CB 3.49Å; V1036-P1092 HydrophobicContact CG2-CB 4.23Å; P1092-V1095 HydrophobicContact CB-CG1 3.85Å; P1092-V1095 HydrophobicContact CB-CG2 4.36Å; P1092-V1095 HydrophobicContact CG-CB 4.41Å; P1092-V1095 HydrophobicContact CG-CG1 3.63Å; P1092-V1095 HydrophobicContact CG-CG2 3.86Å; P1092-F1102 HydrophobicContact CG-CD1 4.22Å; P1092-F1102 HydrophobicContact CG-CE1 3.81Å; P1092-F1102 HydrophobicContact CG-CZ 3.99Å
1093V94.3Very high94.1Very high10 Ų1020.1 Ų20.16%0.06112%0.124CC..SBendtrans-100.8-29.9177.8-176.70000111.6N970 P972 A1035 V1095N970-V1093 HydrophobicContact CB-CG1 4.21Å; P972-V1093 HydrophobicContact CB-CG2 4.06Å; A1035-V1093 WeakPolarHBondContact O-CG2 3.22Å; V1093-V1095 PolarHBondContact O-N 3Å
1094D93.5Very high94.3Very high5 Ų518 Ų183%0.02711%0.107CC..SBendtrans-94.661.8179.5-165.73.9000112.7S1021 V1022 K1034 R1066 Q1100S1021-D1094 WeakPolarHBondContact CB-O 3.38Å; S1021-D1094 PolarHBondContact OG-O 2.76Å; V1022-D1094 HydrophobicContact CB-CB 4.06Å; V1022-D1094 WeakPolarHBondContact CG2-OD2 3.26Å; V1022-D1094 PolarHBondContact N-OD2 3.23Å; K1034-D1094 HydrophobicContact CB-CB 4.37Å; K1034-D1094 HydrophobicContact CD-CB 4.13Å; K1034-D1094 HydrophobicContact CG-CB 4.48Å; K1034-D1094 IonicContact NZ-OD2 3.69Å; R1066-D1094 IonicContact CZ-OD1 2.69Å; R1066-D1094 VanDerWaalsContact CZ-OD1 3.31Å; R1066-D1094 IonicContact CZ-OD2 3.9Å; R1066-D1094 VanDerWaalsContact CZ-OD2 3.3Å; R1066-D1094 IonicContact NE-OD1 2.63Å; R1066-D1094 IonicContact NE-OD2 3.69Å; R1066-D1094 PolarHBondContact NE-OD2 2.93Å; R1066-D1094 IonicContact NH2-OD1 2.64Å; R1066-D1094 PolarHBondContact NH2-OD1 3.22Å; R1066-D1094 IonicContact NH2-OD2 3.48Å; R1066-D1094 PolarHBondContact NH2-OD2 3.22Å; D1094-Q1100 PolarHBondContact O-NE2 2.88Å; D1094-Q1100 VanDerWaalsContact O-NE2 3.11Å; D1094-Q1100 PolarHBondContact OD1-NE2 2.86Å
1095V92.3Very high94.4Very high18 Ų1821 Ų2111%0.10912%0.122CC..  trans-135.5151.9178.9-71.40000112.5W963 V973 M979 P1092 V1093 Q1100 F1102W963-V1095 HydrophobicContact CB-CG2 4.44Å; V973-V1095 HydrophobicContact CB-CG2 4.42Å; V973-V1095 HydrophobicContact CG2-CG2 4.49Å; M979-V1095 HydrophobicContact CE-CG2 4.29Å; P1092-V1095 HydrophobicContact CB-CG1 3.85Å; P1092-V1095 HydrophobicContact CB-CG2 4.36Å; P1092-V1095 HydrophobicContact CG-CB 4.41Å; P1092-V1095 HydrophobicContact CG-CG1 3.63Å; P1092-V1095 HydrophobicContact CG-CG2 3.86Å; V1093-V1095 PolarHBondContact O-N 3Å; V1095-Q1100 VanDerWaalsContact C-OE1 3.3Å; V1095-F1102 HydrophobicContact CG1-CD1 3.83Å; V1095-F1102 HydrophobicContact CG1-CE1 4.06Å
1096G89.6Confident94.4Very high10 Ų1021.4 Ų21.410%0.10312%0.124CC..BIsolated β-bridgetrans132.9-18.2176.300000114.1A964 S965 Q1100A964-G1096 CarbonylContact C-O 3.56Å; A964-G1096 WeakPolarHBondContact CA-O 3.27Å; S965-G1096 PolarHBondContact N-O 3.02Å; G1096-Q1100 VanDerWaalsContact N-OE1 3.09Å
1097G88.6Confident94.4Very high26 Ų2622.2 Ų22.227%0.26813%0.133SC..SBendtrans-71.2146.916900000112.2D1099 Q1100G1097-D1099 PolarHBondContact O-N 3.45Å; G1097-Q1100 WeakPolarHBondContact O-CB 3.33Å; G1097-Q1100 PolarHBondContact O-N 3.44Å; G1097-Q1100 VanDerWaalsContact O-N 3.14Å
1098T86.9Confident94.4Very high126 Ų12624.8 Ų24.877%0.77315%0.149SC*.THydrogen-bonded Turntrans-68.2-17.7-176.348.30000114.4
1099D90.3Very high94.4Very high79 Ų7923.5 Ų23.542%0.42214%0.143SC..THydrogen-bonded Turntrans-99.5-4.5177.567.1-53000113N1020 G1097N1020-D1099 WeakPolarHBondContact CB-OD2 3.43Å; N1020-D1099 PolarHBondContact ND2-OD2 3.15Å; G1097-D1099 PolarHBondContact O-N 3.45Å
1100Q93.4Very high94.5Very high15 Ų1524.3 Ų24.37%0.0715%0.148CC..  trans-83.5121.2178.8-55.8-169.9-66.700109.2T961 N1020 D1094 V1095 G1096 G1097T961-Q1100 WeakPolarHBondContact CA-O 3.14Å; T961-Q1100 WeakPolarHBondContact CB-O 3.44Å; T961-Q1100 WeakPolarHBondContact CG2-O 3.35Å; T961-Q1100 PolarHBondContact OG1-O 2.95Å; N1020-Q1100 HydrophobicContact CB-CG 4.4Å; N1020-Q1100 WeakPolarHBondContact O-CG 3.05Å; N1020-Q1100 PolarHBondContact O-NE2 2.95Å; D1094-Q1100 PolarHBondContact O-NE2 2.88Å; D1094-Q1100 VanDerWaalsContact O-NE2 3.11Å; D1094-Q1100 PolarHBondContact OD1-NE2 2.86Å; V1095-Q1100 VanDerWaalsContact C-OE1 3.3Å; G1096-Q1100 VanDerWaalsContact N-OE1 3.09Å; G1097-Q1100 WeakPolarHBondContact O-CB 3.33Å; G1097-Q1100 PolarHBondContact O-N 3.44Å; G1097-Q1100 VanDerWaalsContact O-N 3.14Å
1101E95.1Very high94.5Very high36 Ų3624.3 Ų24.317%0.16815%0.148CC..EExtended strand (participates in β ladder)trans-125.8141.7177.6-60.8167.9-126.600109.2R959 K960 T961 C1018 K1019R959-E1101 IonicContact CZ-OE2 2.7Å; R959-E1101 IonicContact NH1-OE2 2.64Å; R959-E1101 PolarHBondContact NH1-OE2 3.36Å; R959-E1101 IonicContact NH2-OE2 3.31Å; R959-E1101 PolarHBondContact NH2-OE2 2.9Å; K960-E1101 WeakPolarHBondContact O-CA 3.22Å; T961-E1101 WeakPolarHBondContact OG1-CG 3.4Å; C1018-E1101 CarbonylContact C-O 3.6Å; K1019-E1101 HydrophobicContact CB-CB 4.26Å; K1019-E1101 WeakPolarHBondContact CD-OE1 3.25Å; K1019-E1101 WeakPolarHBondContact CE-OE1 3.5Å; K1019-E1101 PolarHBondContact N-O 2.94Å; K1019-E1101 IonicContact NZ-OE1 3.51Å; K1019-E1101 PolarHBondContact NZ-OE1 2.96Å; K1019-E1101 PolarHBondContact O-N 3.25Å
1102F96.5Very high94.4Very high2 Ų226.8 Ų26.81%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-141.8158.4169.579.4-93.9000112.7R959 K960 W962 Y975 M979 Y1016 I1017 P1092 V1095 V1104R959-F1102 VanDerWaalsContact CA-O 3.3Å; R959-F1102 WeakPolarHBondContact CA-O 3.37Å; K960-F1102 PolarHBondContact N-O 2.89Å; K960-F1102 PolarHBondContact O-N 3.06Å; K960-F1102 VanDerWaalsContact O-O 3.08Å; W962-F1102 HydrophobicContact CB-CE1 3.72Å; W962-F1102 HydrophobicContact CB-CZ 3.91Å; W962-F1102 AromaticContact CD1-CE1 3.85Å; W962-F1102 AromaticContact CD1-CE2 3.93Å; W962-F1102 AromaticContact CD1-CZ 3.76Å; W962-F1102 HydrophobicContact CG-CE1 4.08Å; W962-F1102 HydrophobicContact CG-CE2 4.48Å; W962-F1102 AromaticContact CG-CZ 3.96Å; W962-F1102 HydrophobicContact CG-CZ 3.96Å; W962-F1102 PolarHBondContact NE1-O 3.45Å; Y975-F1102 HydrophobicContact CD2-CE2 4.39Å; Y975-F1102 HydrophobicContact CD2-CZ 4.3Å; M979-F1102 HydrophobicContact CE-CE1 3.82Å; M979-F1102 HydrophobicContact CE-CZ 3.81Å; M979-F1102 HydrophobicContact SD-CE1 3.77Å; M979-F1102 HydrophobicContact SD-CZ 3.6Å; Y1016-F1102 HydrophobicContact CD2-CB 4.44Å; Y1016-F1102 HydrophobicContact CD2-CD2 4.19Å; Y1016-F1102 HydrophobicContact CE1-CB 4.42Å; Y1016-F1102 HydrophobicContact CE2-CB 3.54Å; Y1016-F1102 HydrophobicContact CE2-CD1 4.4Å; Y1016-F1102 AromaticContact CE2-CD2 3.51Å; Y1016-F1102 HydrophobicContact CE2-CD2 3.51Å; Y1016-F1102 HydrophobicContact CE2-CE2 4.3Å; Y1016-F1102 AromaticContact CE2-CG 3.58Å; Y1016-F1102 HydrophobicContact CE2-CG 3.58Å; Y1016-F1102 AromaticContact CZ-CG 3.94Å; Y1016-F1102 VanDerWaalsContact OH-CB 3.32Å; Y1016-F1102 WeakPolarHBondContact OH-CB 3.42Å; I1017-F1102 CarbonylContact O-C 3.49Å; I1017-F1102 WeakPolarHBondContact O-CA 3.48Å; I1017-F1102 WeakPolarHBondContact O-CB 3.4Å; P1092-F1102 HydrophobicContact CG-CD1 4.22Å; P1092-F1102 HydrophobicContact CG-CE1 3.81Å; P1092-F1102 HydrophobicContact CG-CZ 3.99Å; V1095-F1102 HydrophobicContact CG1-CD1 3.83Å; V1095-F1102 HydrophobicContact CG1-CE1 4.06Å; F1102-V1104 HydrophobicContact CD2-CG2 4.28Å; F1102-V1104 HydrophobicContact CE2-CG2 4.27Å
1103G96.8Very high94.3Very high0 Ų028.2 Ų28.20%017%0.171CC..EExtended strand (participates in β ladder)trans-140.6174.4168.600000109.5V957 I1017V957-G1103 CarbonylContact O-C 3.58Å; V957-G1103 VanDerWaalsContact O-CA 3.24Å; V957-G1103 WeakPolarHBondContact O-CA 3.49Å; I1017-G1103 PolarHBondContact N-O 3.47Å; I1017-G1103 PolarHBondContact O-N 3.41Å
1104V97.6Very high94.3Very high0 Ų029.1 Ų29.10%018%0.177CC..EExtended strand (participates in β ladder)trans-137.7137.5-178.2-168.80000109.5S956 V957 I1014 T1015 L1090 F1102 I1106S956-V1104 CarbonylContact C-O 3.56Å; S956-V1104 WeakPolarHBondContact CA-O 3.31Å; S956-V1104 WeakPolarHBondContact CB-O 3.38Å; V957-V1104 HydrophobicContact CB-CB 3.84Å; V957-V1104 HydrophobicContact CB-CG2 4.07Å; V957-V1104 HydrophobicContact CG1-CG2 4.45Å; V957-V1104 HydrophobicContact CG2-CB 4.01Å; V957-V1104 HydrophobicContact CG2-CG2 4.29Å; V957-V1104 PolarHBondContact N-O 2.87Å; V957-V1104 PolarHBondContact O-N 2.84Å; I1014-V1104 HydrophobicContact CD1-CG1 3.76Å; I1014-V1104 HydrophobicContact CG1-CG1 3.55Å; T1015-V1104 CarbonylContact O-C 3.54Å; T1015-V1104 VanDerWaalsContact O-CA 3.24Å; T1015-V1104 WeakPolarHBondContact O-CA 3.3Å; T1015-V1104 WeakPolarHBondContact O-CG1 3.34Å; L1090-V1104 HydrophobicContact CD1-CG1 3.96Å; L1090-V1104 HydrophobicContact CD1-CG2 4.15Å; F1102-V1104 HydrophobicContact CD2-CG2 4.28Å; F1102-V1104 HydrophobicContact CE2-CG2 4.27Å; V1104-I1106 HydrophobicContact CG1-CG1 3.99Å
1105E97.3Very high94.4Very high85 Ų8530.4 Ų30.440%0.39719%0.186SC..EExtended strand (participates in β ladder)trans-108.2120.4164.8-43.3170.3145.400106.7T1015 I1017T1015-E1105 WeakPolarHBondContact CB-OE2 3.35Å; T1015-E1105 HydrophobicContact CG2-CG 4.33Å; T1015-E1105 WeakPolarHBondContact CG2-OE2 3.3Å; T1015-E1105 PolarHBondContact N-O 3.13Å; T1015-E1105 PolarHBondContact O-N 3.22Å; T1015-E1105 PolarHBondContact OG1-OE2 3.33Å; I1017-E1105 HydrophobicContact CD1-CG 3.78Å; I1017-E1105 HydrophobicContact CG1-CG 4.17Å
1106I97.1Very high94.5Very high9 Ų931.2 Ų31.25%0.04619%0.19CC..EExtended strand (participates in β ladder)trans-101102.5-172.7-51.2156.8000107.1A952 S955 V957 F985 Y987 I1014 V1104A952-I1106 HydrophobicContact CB-CB 3.72Å; A952-I1106 HydrophobicContact CB-CD1 4.47Å; A952-I1106 HydrophobicContact CB-CG2 3.38Å; S955-I1106 PolarHBondContact O-N 3.4Å; V957-I1106 HydrophobicContact CG2-CD1 4.34Å; F985-I1106 HydrophobicContact CB-CD1 4.23Å; F985-I1106 HydrophobicContact CD1-CD1 3.4Å; F985-I1106 HydrophobicContact CD1-CG1 4.3Å; F985-I1106 HydrophobicContact CD2-CD1 4.26Å; F985-I1106 HydrophobicContact CD2-CG1 4.44Å; F985-I1106 HydrophobicContact CD2-CG2 4.44Å; F985-I1106 HydrophobicContact CE1-CD1 3.74Å; F985-I1106 HydrophobicContact CE1-CG1 4.35Å; F985-I1106 HydrophobicContact CE2-CG1 4.49Å; F985-I1106 HydrophobicContact CG-CD1 3.7Å; F985-I1106 HydrophobicContact CG-CG1 4.35Å; F985-I1106 HydrophobicContact CZ-CD1 4.31Å; F985-I1106 HydrophobicContact CZ-CG1 4.45Å; Y987-I1106 HydrophobicContact CE1-CG2 4.4Å; Y987-I1106 WeakPolarHBondContact OH-CG2 3.24Å; I1014-I1106 HydrophobicContact CD1-CG1 4.43Å; V1104-I1106 HydrophobicContact CG1-CG1 3.99Å
1107G95.8Very high94.8Very high19 Ų1932.5 Ų32.520%0.19620%0.196CC..EExtended strand (participates in β ladder)trans-66.4159.3176.800000111.7Q1012 N1013Q1012-G1107 PolarHBondContact NE2-O 3.41Å; N1013-G1107 WeakPolarHBondContact O-CA 3.34Å; N1013-G1107 PolarHBondContact O-N 3.3Å
1108P96.1Very high95.2Very high54 Ų5432.9 Ų32.935%0.35119%0.191SC..EExtended strand (participates in β ladder)trans-62.9148.9176.629.3-35.5000111C949 I950C949-P1108 HydrophobicContact CB-CB 4.11Å; C949-P1108 HydrophobicContact CB-CG 4.41Å; I950-P1108 CarbonylContact O-C 3.14Å; I950-P1108 WeakPolarHBondContact O-CA 3.39Å; I950-P1108 WeakPolarHBondContact O-CB 3.38Å
1109V96.8Very high95.8Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-85.6123.6166.157.80000108.5C949 I950 Y987 M1000 Q1012 L1085 P1086 F1111C949-V1109 CarbonylContact C-O 3.57Å; C949-V1109 WeakPolarHBondContact CA-O 3.49Å; I950-V1109 HydrophobicContact CB-CG1 4Å; I950-V1109 PolarHBondContact N-O 3.46Å; I950-V1109 PolarHBondContact O-N 3.49Å; Y987-V1109 HydrophobicContact CD1-CG1 3.97Å; Y987-V1109 HydrophobicContact CE1-CG1 4.23Å; M1000-V1109 HydrophobicContact SD-CG1 4.17Å; Q1012-V1109 HydrophobicContact CB-CB 4.41Å; Q1012-V1109 HydrophobicContact CB-CG2 4.49Å; Q1012-V1109 HydrophobicContact CG-CB 4.4Å; L1085-V1109 HydrophobicContact CB-CG2 3.94Å; P1086-V1109 HydrophobicContact CB-CB 3.92Å; P1086-V1109 HydrophobicContact CB-CG1 3.93Å; P1086-V1109 HydrophobicContact CB-CG2 4.11Å; V1109-F1111 HydrophobicContact CB-CE2 4.32Å; V1109-F1111 HydrophobicContact CG1-CE2 3.83Å; V1109-F1111 HydrophobicContact CG1-CZ 4.38Å; V1109-F1111 HydrophobicContact CG2-CD2 4.36Å; V1109-F1111 HydrophobicContact CG2-CE1 4.37Å; V1109-F1111 HydrophobicContact CG2-CE2 3.64Å; V1109-F1111 HydrophobicContact CG2-CZ 3.64Å
1110C97.3Very high96.2Very high16 Ų1622.2 Ų22.211%0.10813%0.128CC..EExtended strand (participates in β ladder)trans-108.6141-178.6-61.90000110.6E947 T948 C949 A1010 S1011E947-C1110 HydrophobicContact CB-CB 4.43Å; T948-C1110 CarbonylContact O-C 3.54Å; T948-C1110 VanDerWaalsContact O-CA 3.32Å; T948-C1110 WeakPolarHBondContact O-CA 3.49Å; C949-C1110 HydrophobicContact CB-CB 4.18Å; C949-C1110 WeakPolarHBondContact CB-SG 3.45Å; C949-C1110 WeakPolarHBondContact SG-CB 3.19Å; C949-C1110 CovalentContact SG-SG 2.05Å; C949-C1110 PolarHBondContact SG-SG 3.23Å; A1010-C1110 CarbonylContact C-O 3.59Å; A1010-C1110 WeakPolarHBondContact CA-O 3.29Å; S1011-C1110 PolarHBondContact N-O 3.38Å; S1011-C1110 PolarHBondContact O-N 3.42Å
1111F97.4Very high96.5Very high0 Ų022.8 Ų22.80%013%0.133CC..EExtended strand (participates in β ladder)trans-128.3136.9-177.8-64.1-85.7000110.7E947 T948 I950 M1000 L1003 R1004 S1007 A1010 V1082 V1109E947-F1111 WeakPolarHBondContact CA-O 3.34Å; T948-F1111 PolarHBondContact N-O 2.9Å; T948-F1111 PolarHBondContact O-N 3.46Å; I950-F1111 HydrophobicContact CD1-CE2 4.12Å; M1000-F1111 HydrophobicContact CG-CE2 3.8Å; M1000-F1111 HydrophobicContact CG-CZ 3.6Å; M1000-F1111 HydrophobicContact SD-CE2 4.11Å; M1000-F1111 HydrophobicContact SD-CZ 4.01Å; L1003-F1111 HydrophobicContact CB-CD2 4.4Å; L1003-F1111 HydrophobicContact CB-CG 4.36Å; L1003-F1111 HydrophobicContact CD1-CD2 4.45Å; R1004-F1111 HydrophobicContact CG-CE1 3.92Å; S1007-F1111 WeakPolarHBondContact OG-CB 3.46Å; A1010-F1111 HydrophobicContact CB-CD1 3.65Å; A1010-F1111 HydrophobicContact CB-CE1 3.81Å; A1010-F1111 HydrophobicContact CB-CG 4.48Å; V1082-F1111 HydrophobicContact CB-CD1 4.49Å; V1082-F1111 HydrophobicContact CB-CE1 4.43Å; V1109-F1111 HydrophobicContact CB-CE2 4.32Å; V1109-F1111 HydrophobicContact CG1-CE2 3.83Å; V1109-F1111 HydrophobicContact CG1-CZ 4.38Å; V1109-F1111 HydrophobicContact CG2-CD2 4.36Å; V1109-F1111 HydrophobicContact CG2-CE1 4.37Å; V1109-F1111 HydrophobicContact CG2-CE2 3.64Å; V1109-F1111 HydrophobicContact CG2-CZ 3.64Å
1112V93.9Very high96.6Very high53 Ų5321.6 Ų21.632%0.32113%0.13SC..  trans-1490177.666.50000112.3E947 S1007 K1008 E1009E947-V1112 HydrophobicContact CG-CB 3.96Å; E947-V1112 HydrophobicContact CG-CG1 4.26Å; E947-V1112 HydrophobicContact CG-CG2 4.45Å; S1007-V1112 CarbonylContact C-O 3.56Å; S1007-V1112 WeakPolarHBondContact CA-OXT 3.23Å; S1007-V1112 VanDerWaalsContact CB-C 3.43Å; S1007-V1112 WeakPolarHBondContact CB-O 3.45Å; S1007-V1112 PolarHBondContact OG-N 2.89Å; K1008-V1112 CarbonylContact C-O 3.58Å; K1008-V1112 PolarHBondContact N-O 3.18Å; E1009-V1112 HydrophobicContact CB-CG1 4.28Å; E1009-V1112 PolarHBondContact N-O 3.46Å; E1009-V1112 PolarHBondContact O-N 3.31Å

Retrieved 1,112 of 1,112 residues in 673.3 ms (Link to these results)